smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159386022 540009052 /nfs/dbraw/zinc/00/90/52/540009052.db2.gz GGFXBIVDHXGHDY-MRXNPFEDSA-N 1 0 347.459 1.488 20 70 EDIDRO C[C@@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccncc1 ZINC000159990589 540017991 /nfs/dbraw/zinc/01/79/91/540017991.db2.gz IFWNPXIDXIRSCO-INIZCTEOSA-N 1 0 344.459 1.342 20 70 EDIDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@H](C)c2ccncc2)CC1 ZINC000160015548 540018257 /nfs/dbraw/zinc/01/82/57/540018257.db2.gz XJIRAOKVKBZHIZ-INIZCTEOSA-N 1 0 346.475 1.588 20 70 EDIDRO CNC(=O)NC(=O)CN(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159490796 206248316 /nfs/dbraw/zinc/24/83/16/206248316.db2.gz BDGGJSBWHFLZGH-GJZGRUSLSA-N 1 0 346.475 1.530 20 70 EDIDRO C[C@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000159525251 206249624 /nfs/dbraw/zinc/24/96/24/206249624.db2.gz VACPGUDKRCXMNW-JTQLQIEISA-N 1 0 342.237 1.261 20 70 EDIDRO COc1cccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+](C)C)c1 ZINC000159863382 206267464 /nfs/dbraw/zinc/26/74/64/206267464.db2.gz HNGIRJSXQQLTDQ-FUHWJXTLSA-N 1 0 335.448 1.854 20 70 EDIDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000159980317 206272891 /nfs/dbraw/zinc/27/28/91/206272891.db2.gz DUUUCABSOMFGOG-INIZCTEOSA-N 1 0 333.480 1.639 20 70 EDIDRO CC(C)([NH3+])CNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000160021410 206276150 /nfs/dbraw/zinc/27/61/50/206276150.db2.gz RQFSEXYMXRYHSR-UHFFFAOYSA-N 1 0 345.378 1.013 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000160056635 206277582 /nfs/dbraw/zinc/27/75/82/206277582.db2.gz RXARZSYIRURNRM-KRWDZBQOSA-N 1 0 345.443 1.612 20 70 EDIDRO O=C(Cc1ccc(OC(F)F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160259896 206286444 /nfs/dbraw/zinc/28/64/44/206286444.db2.gz WPDKMQWRXWYIOH-AWEZNQCLSA-N 1 0 342.386 1.794 20 70 EDIDRO COc1cc(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(OC)c1 ZINC000160307422 206289148 /nfs/dbraw/zinc/28/91/48/206289148.db2.gz QYYVFVYIUXRURJ-FYCOFBDGSA-N 1 0 348.443 1.680 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC[N@@H+](CC)CC2)c1CC ZINC000160427496 206297003 /nfs/dbraw/zinc/29/70/03/206297003.db2.gz LWKIRMSVVZTBOS-UHFFFAOYSA-N 1 0 335.452 1.132 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000160506613 206300330 /nfs/dbraw/zinc/30/03/30/206300330.db2.gz ZRWISUMTIHHSKF-HYYFJVDXSA-N 1 0 346.168 1.718 20 70 EDIDRO CCc1noc2ncc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc12 ZINC000160545823 206302776 /nfs/dbraw/zinc/30/27/76/206302776.db2.gz MGJQUMIJXQRPOK-ZDUSSCGKSA-N 1 0 332.404 1.362 20 70 EDIDRO CN(CCC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160704263 206309903 /nfs/dbraw/zinc/30/99/03/206309903.db2.gz QPCWRZVJJZIRJG-ZDUSSCGKSA-N 1 0 325.453 1.844 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160775701 206311977 /nfs/dbraw/zinc/31/19/77/206311977.db2.gz RDWAVKILDAPWBL-UHFFFAOYSA-N 1 0 333.358 1.676 20 70 EDIDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161324060 206341924 /nfs/dbraw/zinc/34/19/24/206341924.db2.gz IVOGORHARFZAPO-MSOLQXFVSA-N 1 0 332.444 1.820 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000161373203 206345121 /nfs/dbraw/zinc/34/51/21/206345121.db2.gz NBQMXIXOELXZDA-VXGBXAGGSA-N 1 0 340.449 1.254 20 70 EDIDRO C[C@]1(c2cccc(NC(=O)[C@]3(C)CCC[NH2+]C3)c2)NC(=O)NC1=O ZINC000161413236 206346805 /nfs/dbraw/zinc/34/68/05/206346805.db2.gz FGWINQZYNQYZAX-IAGOWNOFSA-N 1 0 330.388 1.069 20 70 EDIDRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160370267 272929598 /nfs/dbraw/zinc/92/95/98/272929598.db2.gz ORPAHSWLBCGGMT-XJKSGUPXSA-N 1 0 336.480 1.179 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000161159248 273964271 /nfs/dbraw/zinc/96/42/71/273964271.db2.gz MHGAPCXNVPQYOU-FUHWJXTLSA-N 1 0 329.444 1.733 20 70 EDIDRO CC(=O)N[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160285948 278133541 /nfs/dbraw/zinc/13/35/41/278133541.db2.gz YVVRJCDMUZCSAW-MSOLQXFVSA-N 1 0 347.459 1.217 20 70 EDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000161301158 278314763 /nfs/dbraw/zinc/31/47/63/278314763.db2.gz BOAXQDHPGCDDOY-ZIAGYGMSSA-N 1 0 345.447 1.137 20 70 EDIDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160978653 279022261 /nfs/dbraw/zinc/02/22/61/279022261.db2.gz UTNZLLYZAAEUGE-BFUOFWGJSA-N 1 0 337.423 1.925 20 70 EDIDRO CN1C(=O)C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H]1c1cccs1 ZINC000159537237 289066962 /nfs/dbraw/zinc/06/69/62/289066962.db2.gz CWRFSQRWEGUULR-CJNGLKHVSA-N 1 0 335.473 1.820 20 70 EDIDRO O=C(NC1CC1)[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000159498564 441816030 /nfs/dbraw/zinc/81/60/30/441816030.db2.gz AXLBWTRGYJVSNT-QGZVFWFLSA-N 1 0 348.491 1.846 20 70 EDIDRO Cc1cc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c[nH]c1=O ZINC000159373506 441808480 /nfs/dbraw/zinc/80/84/80/441808480.db2.gz DURBIUUDPRCIRT-UHFFFAOYSA-N 1 0 340.427 1.683 20 70 EDIDRO O=C(c1cccc(N2CCCNC2=O)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159406945 441810499 /nfs/dbraw/zinc/81/04/99/441810499.db2.gz KQPWIXZBRVLMCK-GASCZTMLSA-N 1 0 328.416 1.573 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000159467971 441815153 /nfs/dbraw/zinc/81/51/53/441815153.db2.gz JDWQXPMMJNKRIY-CYBMUJFWSA-N 1 0 343.431 1.596 20 70 EDIDRO CCC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160141917 441861044 /nfs/dbraw/zinc/86/10/44/441861044.db2.gz GHLXVTWLFRQQTC-SJLPKXTDSA-N 1 0 347.459 1.217 20 70 EDIDRO O=C(c1cccc(CN2CCOCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159638628 441826089 /nfs/dbraw/zinc/82/60/89/441826089.db2.gz KCNBEBTZOUXJOS-HDICACEKSA-N 1 0 329.444 1.485 20 70 EDIDRO C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000159746518 441834814 /nfs/dbraw/zinc/83/48/14/441834814.db2.gz UXFZJYIXAAGWBR-RBSFLKMASA-N 1 0 326.485 1.125 20 70 EDIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000159790062 441837581 /nfs/dbraw/zinc/83/75/81/441837581.db2.gz HSDTZSUMUBZOLU-GFCCVEGCSA-N 1 0 330.450 1.808 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000159847130 441843475 /nfs/dbraw/zinc/84/34/75/441843475.db2.gz JGVAXESWFVMETA-AWEZNQCLSA-N 1 0 340.468 1.733 20 70 EDIDRO CC(C)([NH3+])CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000159955075 441849011 /nfs/dbraw/zinc/84/90/11/441849011.db2.gz AOJBRKCXGLHVGK-LLVKDONJSA-N 1 0 327.837 1.996 20 70 EDIDRO CN(C(=O)CCc1nnc[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160824774 441924995 /nfs/dbraw/zinc/92/49/95/441924995.db2.gz ANHAILBVHZHQJJ-UHFFFAOYSA-N 1 0 343.431 1.875 20 70 EDIDRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160370001 441875501 /nfs/dbraw/zinc/87/55/01/441875501.db2.gz ORPAHSWLBCGGMT-BBRMVZONSA-N 1 0 336.480 1.179 20 70 EDIDRO O=C(c1ccccc1)N1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000160473509 441887296 /nfs/dbraw/zinc/88/72/96/441887296.db2.gz HNBZSTIAYOXVRZ-OKZBNKHCSA-N 1 0 341.455 1.892 20 70 EDIDRO COc1ccccc1-c1nnc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)o1 ZINC000160535322 441893455 /nfs/dbraw/zinc/89/34/55/441893455.db2.gz QEKLLLSEMSGZTM-NEPJUHHUSA-N 1 0 330.388 1.831 20 70 EDIDRO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160563477 441897889 /nfs/dbraw/zinc/89/78/89/441897889.db2.gz SZCTWVZECCZOJG-ZIFCJYIRSA-N 1 0 343.471 1.723 20 70 EDIDRO O=C(NCC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000161185901 441968715 /nfs/dbraw/zinc/96/87/15/441968715.db2.gz FRKJSQIIXWFTPC-KRWDZBQOSA-N 1 0 329.444 1.797 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000160842580 441927826 /nfs/dbraw/zinc/92/78/26/441927826.db2.gz XPYFDASWPQVZPV-ZTFGCOKTSA-N 1 0 329.444 1.961 20 70 EDIDRO CCOC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160853783 441928565 /nfs/dbraw/zinc/92/85/65/441928565.db2.gz JLVLKQXWSIZOAL-AWEZNQCLSA-N 1 0 338.452 1.487 20 70 EDIDRO CC[C@@H](O)CCNC(=O)NCCc1nccn1Cc1ccccc1 ZINC000160901949 441933387 /nfs/dbraw/zinc/93/33/87/441933387.db2.gz KWVCYYUPISYBRR-MRXNPFEDSA-N 1 0 330.432 1.934 20 70 EDIDRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000161403189 441996398 /nfs/dbraw/zinc/99/63/98/441996398.db2.gz YSAAMYGUZZRAHW-HZPDHXFCSA-N 1 0 335.473 1.635 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCNC(=O)N2CCc3ccccc3C2)C1 ZINC000161033648 486642162 /nfs/dbraw/zinc/64/21/62/486642162.db2.gz QMFAMHQZLYGJOB-DLBZAZTESA-N 1 0 344.459 1.531 20 70 EDIDRO COC1CC[NH+](CCNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160321050 540022291 /nfs/dbraw/zinc/02/22/91/540022291.db2.gz ADWJSWWDDDKLDD-GOEBONIOSA-N 1 0 325.453 1.354 20 70 EDIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000159483347 296177398 /nfs/dbraw/zinc/17/73/98/296177398.db2.gz OZCZNBUEYINXRN-VXHVZIFVSA-N 1 0 337.464 1.482 20 70 EDIDRO CC[NH+]1CCC(N[C@@H](C(=O)OC)c2cc(OC)cc(OC)c2)CC1 ZINC000159711279 206259461 /nfs/dbraw/zinc/25/94/61/206259461.db2.gz VSAMTCYFMBSJHU-QGZVFWFLSA-N 1 0 336.432 1.992 20 70 EDIDRO CC[C@H](C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000159708265 206259489 /nfs/dbraw/zinc/25/94/89/206259489.db2.gz JQWSFAOYVQXYGO-QGZVFWFLSA-N 1 0 342.443 1.793 20 70 EDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000159499650 206248259 /nfs/dbraw/zinc/24/82/59/206248259.db2.gz OMNTWMCMKYJRLF-QFIPXVFZSA-N 1 0 325.478 1.906 20 70 EDIDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)CC(=O)NC(N)=O ZINC000159490393 206248809 /nfs/dbraw/zinc/24/88/09/206248809.db2.gz SAXCDHNOQIEQNC-KBPBESRZSA-N 1 0 332.448 1.270 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1CC ZINC000159519843 206250453 /nfs/dbraw/zinc/25/04/53/206250453.db2.gz HNEDLIMKFWHSNB-QWHCGFSZSA-N 1 0 349.479 1.567 20 70 EDIDRO O=C(CCC(=O)c1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160106141 206279552 /nfs/dbraw/zinc/27/95/52/206279552.db2.gz QZTGMNBPWOBZJS-MRXNPFEDSA-N 1 0 336.407 1.752 20 70 EDIDRO COC[C@H](C)[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160372597 206292593 /nfs/dbraw/zinc/29/25/93/206292593.db2.gz DNBIYTYRJNTVMI-HOCLYGCPSA-N 1 0 338.448 1.702 20 70 EDIDRO C[NH+](C)[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)C1CCCCC1 ZINC000160403603 206296373 /nfs/dbraw/zinc/29/63/73/206296373.db2.gz ZOXOKSFSNNTCGF-CQSZACIVSA-N 1 0 332.510 1.826 20 70 EDIDRO CC[C@@H](O)CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160745823 206311411 /nfs/dbraw/zinc/31/14/11/206311411.db2.gz HUWXLQUATKIMDY-GOSISDBHSA-N 1 0 348.491 1.264 20 70 EDIDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160979030 206320912 /nfs/dbraw/zinc/32/09/12/206320912.db2.gz UTNZLLYZAAEUGE-DJJJIMSYSA-N 1 0 337.423 1.925 20 70 EDIDRO C[NH+](C)C1(CNC(=O)NCCc2ccc(Cl)nc2)CCOCC1 ZINC000161136967 206329216 /nfs/dbraw/zinc/32/92/16/206329216.db2.gz LJEGXIUYOFAOCW-UHFFFAOYSA-N 1 0 340.855 1.688 20 70 EDIDRO COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161232373 206335752 /nfs/dbraw/zinc/33/57/52/206335752.db2.gz DGLAQVSEDOZYQU-KVULBXGLSA-N 1 0 336.432 1.774 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000161268066 206339730 /nfs/dbraw/zinc/33/97/30/206339730.db2.gz ZQWWFDVQYUDKRI-UHFFFAOYSA-N 1 0 326.400 1.577 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000161301764 206340975 /nfs/dbraw/zinc/34/09/75/206340975.db2.gz WQFGBKZBOBJIAS-OAHLLOKOSA-N 1 0 335.473 1.877 20 70 EDIDRO CC(C)[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161491338 206351832 /nfs/dbraw/zinc/35/18/32/206351832.db2.gz IEAYUIHMBVGUIQ-WCQYABFASA-N 1 0 328.796 1.244 20 70 EDIDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCNC(=O)C1 ZINC000159556989 225239735 /nfs/dbraw/zinc/23/97/35/225239735.db2.gz HZALZYFRPNARJD-CQSZACIVSA-N 1 0 349.862 1.947 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000161159143 277027094 /nfs/dbraw/zinc/02/70/94/277027094.db2.gz MHGAPCXNVPQYOU-WMZOPIPTSA-N 1 0 329.444 1.733 20 70 EDIDRO COCCN(CCOC)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160205460 277216527 /nfs/dbraw/zinc/21/65/27/277216527.db2.gz TZKIZXIPOHOMLD-FUHWJXTLSA-N 1 0 349.475 1.954 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000161158114 277284728 /nfs/dbraw/zinc/28/47/28/277284728.db2.gz MKNWATIIQDIWID-DOTOQJQBSA-N 1 0 347.434 1.888 20 70 EDIDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1-c1ccc2ncccc2c1 ZINC000160179270 280206104 /nfs/dbraw/zinc/20/61/04/280206104.db2.gz LOKGHWIZBTXINB-HNNXBMFYSA-N 1 0 336.399 1.687 20 70 EDIDRO O=C(CCNC(=O)C1CCCCC1)NCCCC[NH+]1CCOCC1 ZINC000160294181 302921809 /nfs/dbraw/zinc/92/18/09/302921809.db2.gz QNVCFYPYRCKBEL-UHFFFAOYSA-N 1 0 339.480 1.302 20 70 EDIDRO CCc1ncnc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1F ZINC000161002801 302924870 /nfs/dbraw/zinc/92/48/70/302924870.db2.gz VVXUDVGZDQXILE-ZDUSSCGKSA-N 1 0 325.432 1.683 20 70 EDIDRO CCOC(=O)COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159649132 441828064 /nfs/dbraw/zinc/82/80/64/441828064.db2.gz RXRGNAMFXYYDBL-DZGCQCFKSA-N 1 0 334.416 1.714 20 70 EDIDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160613424 441902255 /nfs/dbraw/zinc/90/22/55/441902255.db2.gz OWUJPIVUCLLZEE-JSGCOSHPSA-N 1 0 344.381 1.560 20 70 EDIDRO Cn1cc(CNC(=O)N2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)n1 ZINC000160773420 441919676 /nfs/dbraw/zinc/91/96/76/441919676.db2.gz QOKLOKXCQGTKSK-UHFFFAOYSA-N 1 0 345.369 1.676 20 70 EDIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160427646 441882352 /nfs/dbraw/zinc/88/23/52/441882352.db2.gz KTQGZPPGMRLRFT-OAHLLOKOSA-N 1 0 349.479 1.858 20 70 EDIDRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160571553 441897945 /nfs/dbraw/zinc/89/79/45/441897945.db2.gz LQPJKPRZUJUAFK-DFBGVHRSSA-N 1 0 335.835 1.811 20 70 EDIDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000161241563 441976551 /nfs/dbraw/zinc/97/65/51/441976551.db2.gz DYJXCHNUJHZSTJ-XHSDSOJGSA-N 1 0 347.525 1.585 20 70 EDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCC3(CCOC)CC3)C2)CC1 ZINC000160966833 441941310 /nfs/dbraw/zinc/94/13/10/441941310.db2.gz AVRRWWMDNWTNMC-INIZCTEOSA-N 1 0 338.496 1.225 20 70 EDIDRO OCC1(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)COC1 ZINC000161048998 441949895 /nfs/dbraw/zinc/94/98/95/441949895.db2.gz LGHRWBSWNFDYCL-ZIAGYGMSSA-N 1 0 331.334 1.822 20 70 EDIDRO CCC(=O)N1CC[C@H](C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000161091126 441955630 /nfs/dbraw/zinc/95/56/30/441955630.db2.gz SDQZTIUQRXFKAS-INIZCTEOSA-N 1 0 347.459 1.502 20 70 EDIDRO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1)C1CC1 ZINC000161093463 441956812 /nfs/dbraw/zinc/95/68/12/441956812.db2.gz AQPRYLYHJYIXAC-IAGOWNOFSA-N 1 0 345.443 1.434 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000218120754 443058277 /nfs/dbraw/zinc/05/82/77/443058277.db2.gz STHNTDKNWASBCV-GFCCVEGCSA-N 1 0 345.237 1.257 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000159938899 540017092 /nfs/dbraw/zinc/01/70/92/540017092.db2.gz JHUKXAAOBVTJDO-UHFFFAOYSA-N 1 0 329.448 1.922 20 70 EDIDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159626463 206256594 /nfs/dbraw/zinc/25/65/94/206256594.db2.gz ASFVTZDUDIICRP-HNNXBMFYSA-N 1 0 326.485 1.804 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000159586349 206253374 /nfs/dbraw/zinc/25/33/74/206253374.db2.gz FKCUWDVAZUCLDN-UHFFFAOYSA-N 1 0 348.447 1.621 20 70 EDIDRO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159844720 206266805 /nfs/dbraw/zinc/26/68/05/206266805.db2.gz NXRFJLWEBLDOIC-WBVHZDCISA-N 1 0 347.459 1.397 20 70 EDIDRO COC(=O)[C@@H](C)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000160131273 206280277 /nfs/dbraw/zinc/28/02/77/206280277.db2.gz SWASLYHTMDYDIP-OAHLLOKOSA-N 1 0 348.443 1.724 20 70 EDIDRO CC(C)[NH+](CCNC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(C)C ZINC000160360776 206293483 /nfs/dbraw/zinc/29/34/83/206293483.db2.gz GRBOYFWPVCLICY-UHFFFAOYSA-N 1 0 345.465 1.379 20 70 EDIDRO COc1ccc(C(F)(F)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160429191 206297883 /nfs/dbraw/zinc/29/78/83/206297883.db2.gz IZVNCLOKVOHLPS-AWEZNQCLSA-N 1 0 342.386 1.750 20 70 EDIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ncn(-c4ccccc4)n3)CC[C@@H]21 ZINC000160486909 206300217 /nfs/dbraw/zinc/30/02/17/206300217.db2.gz KERRJHVNPPJWBC-HOCLYGCPSA-N 1 0 325.416 1.824 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160635020 206307366 /nfs/dbraw/zinc/30/73/66/206307366.db2.gz GHLBNIKAEWLMFW-NOLJZWGESA-N 1 0 326.462 1.796 20 70 EDIDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160978906 206320487 /nfs/dbraw/zinc/32/04/87/206320487.db2.gz UTNZLLYZAAEUGE-YJYMSZOUSA-N 1 0 337.423 1.925 20 70 EDIDRO CC(=O)NC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000161433465 206347439 /nfs/dbraw/zinc/34/74/39/206347439.db2.gz JYHKSSXDVDAGCP-DAWZGUTISA-N 1 0 331.460 1.723 20 70 EDIDRO Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4cccn4)C3)C2=O)cn1 ZINC000160256481 225370809 /nfs/dbraw/zinc/37/08/09/225370809.db2.gz ANCIWILMFZHRSD-HOCLYGCPSA-N 1 0 328.420 1.449 20 70 EDIDRO O=C(c1cn(-c2ccccc2Cl)nn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159724795 267495147 /nfs/dbraw/zinc/49/51/47/267495147.db2.gz BMFHZHPMHXGHOW-TXEJJXNPSA-N 1 0 331.807 1.887 20 70 EDIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCOC1 ZINC000160941787 302924441 /nfs/dbraw/zinc/92/44/41/302924441.db2.gz CMCQNBWGLSQMJR-MRXNPFEDSA-N 1 0 332.448 1.976 20 70 EDIDRO CCO[C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCCC2 ZINC000159550842 441820659 /nfs/dbraw/zinc/82/06/59/441820659.db2.gz FSAUIMMTSPKNQD-HOTGVXAUSA-N 1 0 347.463 1.670 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000160304651 441871122 /nfs/dbraw/zinc/87/11/22/441871122.db2.gz GOEMNPBZUPKSJC-SOUVJXGZSA-N 1 0 333.498 1.050 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000159573441 441822727 /nfs/dbraw/zinc/82/27/27/441822727.db2.gz QGJOQCMUFGINMJ-UHFFFAOYSA-N 1 0 334.468 1.284 20 70 EDIDRO O=C([C@H](c1ccccc1F)N1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159606235 441824379 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C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160760076 441918096 /nfs/dbraw/zinc/91/80/96/441918096.db2.gz XBCBYBWCYAFHRX-XPTSAGLGSA-N 1 0 332.372 1.108 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000160426035 441880954 /nfs/dbraw/zinc/88/09/54/441880954.db2.gz ZMMAONRWOOUATL-AWEZNQCLSA-N 1 0 338.496 1.984 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000160441533 441883294 /nfs/dbraw/zinc/88/32/94/441883294.db2.gz SRBVFXAQWHSFPI-INIZCTEOSA-N 1 0 337.439 1.833 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(C2OCCO2)CC1 ZINC000160882230 441931592 /nfs/dbraw/zinc/93/15/92/441931592.db2.gz KGZCWTJIOLWXSJ-OAHLLOKOSA-N 1 0 337.464 1.798 20 70 EDIDRO COCCC[N@H+](C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160897516 441933629 /nfs/dbraw/zinc/93/36/29/441933629.db2.gz YGGXNGRFFYIYMU-UHFFFAOYSA-N 1 0 337.346 1.535 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000161265008 441978100 /nfs/dbraw/zinc/97/81/00/441978100.db2.gz HKLJUAOVRBEVJP-UHFFFAOYSA-N 1 0 343.475 1.744 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000161374372 441992966 /nfs/dbraw/zinc/99/29/66/441992966.db2.gz VYYYOCXTRWBHBJ-OFLPRAFFSA-N 1 0 341.521 1.231 20 70 EDIDRO O=C(CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)N1CCCCC1 ZINC000161397813 441994841 /nfs/dbraw/zinc/99/48/41/441994841.db2.gz XVNWHMIUNURAPL-OAHLLOKOSA-N 1 0 331.464 1.806 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)Nc1nnc(CCCC(=O)OC)s1 ZINC000161237250 318424851 /nfs/dbraw/zinc/42/48/51/318424851.db2.gz VAFIAAVFNSZDNA-UHFFFAOYSA-N 1 0 328.438 1.737 20 70 EDIDRO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161470771 486644675 /nfs/dbraw/zinc/64/46/75/486644675.db2.gz SSEMCWRZSPVYRX-RWMBFGLXSA-N 1 0 327.494 1.710 20 70 EDIDRO C[C@@H](CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccncc1 ZINC000159828727 540015075 /nfs/dbraw/zinc/01/50/75/540015075.db2.gz UPXLSHNXOOQFJX-HOCLYGCPSA-N 1 0 332.448 1.279 20 70 EDIDRO CC[C@H](C(=O)N1CC[NH2+]CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000159429542 206245229 /nfs/dbraw/zinc/24/52/29/206245229.db2.gz MQRFASISSUSRGC-CYBMUJFWSA-N 1 0 334.811 1.376 20 70 EDIDRO COCCC[N@H+](C)CCNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000160005954 206274653 /nfs/dbraw/zinc/27/46/53/206274653.db2.gz VJLDNHRKCYDOJF-UHFFFAOYSA-N 1 0 346.431 1.783 20 70 EDIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160144941 206282586 /nfs/dbraw/zinc/28/25/86/206282586.db2.gz FQPSNFDEPMVDRT-GOSISDBHSA-N 1 0 345.491 1.783 20 70 EDIDRO CC1=NN(c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000160328694 206291153 /nfs/dbraw/zinc/29/11/53/206291153.db2.gz SNOOQFOWEBBGAY-GOSISDBHSA-N 1 0 344.459 1.849 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1CC ZINC000160378836 206293912 /nfs/dbraw/zinc/29/39/12/206293912.db2.gz PPMPQYXVZABGOH-ZDUSSCGKSA-N 1 0 345.447 1.050 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1CC ZINC000160378913 206294105 /nfs/dbraw/zinc/29/41/05/206294105.db2.gz PPMPQYXVZABGOH-CYBMUJFWSA-N 1 0 345.447 1.050 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000160399042 206296134 /nfs/dbraw/zinc/29/61/34/206296134.db2.gz WUDFNMRPEYSAOT-GFCCVEGCSA-N 1 0 345.490 1.246 20 70 EDIDRO COc1ccc2c(c1)C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)CO2 ZINC000160378585 206295029 /nfs/dbraw/zinc/29/50/29/206295029.db2.gz RGVDHDPJSPEACC-CVEARBPZSA-N 1 0 348.443 1.209 20 70 EDIDRO O=C(CCc1cc(F)ccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160485702 206300181 /nfs/dbraw/zinc/30/01/81/206300181.db2.gz MPCUGWCHPMEUJG-OAHLLOKOSA-N 1 0 326.387 1.860 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000160689453 206308038 /nfs/dbraw/zinc/30/80/38/206308038.db2.gz IMWMHTGEIDNXRL-CYBMUJFWSA-N 1 0 334.351 1.480 20 70 EDIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(C)onc2CC)C1 ZINC000160846313 206315947 /nfs/dbraw/zinc/31/59/47/206315947.db2.gz JUEPAOLFGXLLJZ-CYBMUJFWSA-N 1 0 336.436 1.674 20 70 EDIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000161034064 206325368 /nfs/dbraw/zinc/32/53/68/206325368.db2.gz MOOIWLKDAQYSGP-IAGOWNOFSA-N 1 0 331.460 1.972 20 70 EDIDRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000161143045 206330794 /nfs/dbraw/zinc/33/07/94/206330794.db2.gz MCSYDJUHHGZDEP-HNNXBMFYSA-N 1 0 331.416 1.406 20 70 EDIDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161183517 206333874 /nfs/dbraw/zinc/33/38/74/206333874.db2.gz WJMPGQYXRFOZNY-UHFFFAOYSA-N 1 0 346.435 1.572 20 70 EDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2CO)CC1 ZINC000161260491 206338284 /nfs/dbraw/zinc/33/82/84/206338284.db2.gz WZJSLZGNBGLYPY-YOEHRIQHSA-N 1 0 332.448 1.773 20 70 EDIDRO Cn1cnc(-c2cccc(NC(=O)N3CCO[C@H](C[NH+](C)C)C3)c2)n1 ZINC000161433630 206348309 /nfs/dbraw/zinc/34/83/09/206348309.db2.gz VRUXGXNXYIBOLA-OAHLLOKOSA-N 1 0 344.419 1.276 20 70 EDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)/C=C/c1ccccc1Cl ZINC000161457765 206349735 /nfs/dbraw/zinc/34/97/35/206349735.db2.gz VOEYGSPXLVOMPJ-MYSGNRETSA-N 1 0 332.853 1.543 20 70 EDIDRO COc1ncc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1C(N)=O ZINC000160760277 225469228 /nfs/dbraw/zinc/46/92/28/225469228.db2.gz KOCSQPBPSIHREU-UHFFFAOYSA-N 1 0 328.372 1.503 20 70 EDIDRO Cc1ccc2ncc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c(=O)n2c1 ZINC000161221719 281167311 /nfs/dbraw/zinc/16/73/11/281167311.db2.gz DYMIBIBCKXOBQY-ZFWWWQNUSA-N 1 0 328.416 1.461 20 70 EDIDRO Cc1nn2c(nc(C)cc2C)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160520246 293806147 /nfs/dbraw/zinc/80/61/47/293806147.db2.gz LNIORBOCHIQIDG-HNNXBMFYSA-N 1 0 345.447 1.231 20 70 EDIDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cnccn3)cn2)CC1 ZINC000159500662 441818131 /nfs/dbraw/zinc/81/81/31/441818131.db2.gz XQWSXDPAZZPLOA-HNNXBMFYSA-N 1 0 326.448 1.864 20 70 EDIDRO CN(Cc1ccccc1)C(=O)NCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159458470 441814936 /nfs/dbraw/zinc/81/49/36/441814936.db2.gz WOCDJTMOPQJNGF-CALCHBBNSA-N 1 0 344.459 1.571 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160196665 441865578 /nfs/dbraw/zinc/86/55/78/441865578.db2.gz XRXFEMKNCYHTPT-HUUCEWRRSA-N 1 0 325.453 1.844 20 70 EDIDRO COC(=O)[C@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000160217527 441866109 /nfs/dbraw/zinc/86/61/09/441866109.db2.gz WIRLVOKMSYATEV-KBPBESRZSA-N 1 0 327.469 1.947 20 70 EDIDRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160252740 441868139 /nfs/dbraw/zinc/86/81/39/441868139.db2.gz QGCOXGOYLKSAAR-KBRIMQKVSA-N 1 0 329.444 1.546 20 70 EDIDRO O=C(CCn1cnc2ccccc2c1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160321672 441872539 /nfs/dbraw/zinc/87/25/39/441872539.db2.gz QTANCZOSJXCOGS-OKILXGFUSA-N 1 0 326.400 1.140 20 70 EDIDRO C[N@H+](CCCO)C1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159613468 441824723 /nfs/dbraw/zinc/82/47/23/441824723.db2.gz BPUOUSROLVYXQC-UHFFFAOYSA-N 1 0 326.466 1.174 20 70 EDIDRO CNC(=O)c1cccc(CCC(=O)NC[C@@H](C)Cn2ccnc2C)c1 ZINC000159619449 441824845 /nfs/dbraw/zinc/82/48/45/441824845.db2.gz HPIJARSBNGFMQU-CQSZACIVSA-N 1 0 342.443 1.936 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1CC ZINC000159660330 441827361 /nfs/dbraw/zinc/82/73/61/441827361.db2.gz VJSKWORIULPHHB-RYUDHWBXSA-N 1 0 347.463 1.319 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)no2)c1 ZINC000159717971 441832446 /nfs/dbraw/zinc/83/24/46/441832446.db2.gz STFNKCHPOXOUDF-YOEHRIQHSA-N 1 0 343.431 1.784 20 70 EDIDRO Cc1cc(=O)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1-c1ccccc1 ZINC000159802520 441839324 /nfs/dbraw/zinc/83/93/24/441839324.db2.gz FCNIYLJMKODXDH-GASCZTMLSA-N 1 0 338.411 1.507 20 70 EDIDRO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000159906418 441845744 /nfs/dbraw/zinc/84/57/44/441845744.db2.gz DVGUTCFFPNTWTE-OAHLLOKOSA-N 1 0 339.461 1.125 20 70 EDIDRO O=C(CN1CCc2sccc2C1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159965369 441851163 /nfs/dbraw/zinc/85/11/63/441851163.db2.gz KRZQQVOIFDJPNA-OAHLLOKOSA-N 1 0 337.489 1.069 20 70 EDIDRO O=C(Cc1cccc2cccnc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159994725 441853019 /nfs/dbraw/zinc/85/30/19/441853019.db2.gz ZJFHRRDSOSAXLH-KRWDZBQOSA-N 1 0 327.428 1.740 20 70 EDIDRO CS(=O)(=O)Nc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1F ZINC000159980330 441853145 /nfs/dbraw/zinc/85/31/45/441853145.db2.gz PAYGRNNXIPLAKX-TXEJJXNPSA-N 1 0 341.408 1.164 20 70 EDIDRO Cc1ccc(-n2cc(C(=O)NCC3CC[NH+](CCO)CC3)nn2)cc1 ZINC000160709673 441912120 /nfs/dbraw/zinc/91/21/20/441912120.db2.gz MMKIVQBYSXBAIY-UHFFFAOYSA-N 1 0 343.431 1.010 20 70 EDIDRO CC(=O)N[C@@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000160491799 441888151 /nfs/dbraw/zinc/88/81/51/441888151.db2.gz XYECBRYVNCKJOU-YESZJQIVSA-N 1 0 339.480 1.031 20 70 EDIDRO CCOc1ccc(CCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160531405 441892792 /nfs/dbraw/zinc/89/27/92/441892792.db2.gz RHMOLNZQCFONNB-UHFFFAOYSA-N 1 0 334.460 1.838 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000161230217 441974446 /nfs/dbraw/zinc/97/44/46/441974446.db2.gz FCHRTKMCFZFYGA-NSHDSACASA-N 1 0 329.397 1.021 20 70 EDIDRO COC[C@H](C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160969759 441942606 /nfs/dbraw/zinc/94/26/06/441942606.db2.gz VVBWREYLSBNLDH-FHERZECASA-N 1 0 332.510 1.984 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(-c3ccncc3)[nH]c2=O)CC1 ZINC000161048293 441949538 /nfs/dbraw/zinc/94/95/38/441949538.db2.gz GMTNJEHVVQQTMP-UHFFFAOYSA-N 1 0 340.427 1.899 20 70 EDIDRO CO[C@@H]1CCN(C(=O)c2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000161054891 441950922 /nfs/dbraw/zinc/95/09/22/441950922.db2.gz OYIZPCMTTJCSHK-NWDGAFQWSA-N 1 0 328.210 1.422 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000161315676 441985301 /nfs/dbraw/zinc/98/53/01/441985301.db2.gz XOIJMQOFSIXJFD-BXUZGUMPSA-N 1 0 337.370 1.528 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(NC(=O)C2CC2)c1 ZINC000160602017 138640843 /nfs/dbraw/zinc/64/08/43/138640843.db2.gz CFFGVEDDKCGBDY-UHFFFAOYSA-N 1 0 345.443 1.469 20 70 EDIDRO COc1ncc(C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159435554 206245528 /nfs/dbraw/zinc/24/55/28/206245528.db2.gz JQKUXOMEGPRFGN-AWEZNQCLSA-N 1 0 348.447 1.431 20 70 EDIDRO CC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000159466491 206246929 /nfs/dbraw/zinc/24/69/29/206246929.db2.gz MCYVXIBWXLAQGC-OAHLLOKOSA-N 1 0 345.443 1.922 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000159475885 206248481 /nfs/dbraw/zinc/24/84/81/206248481.db2.gz MXJZLWKONZZWIN-CYBMUJFWSA-N 1 0 336.417 1.976 20 70 EDIDRO COc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc(OC)c1C ZINC000159976510 206273960 /nfs/dbraw/zinc/27/39/60/206273960.db2.gz BLJLNAJOPBMCHQ-OAHLLOKOSA-N 1 0 336.432 1.589 20 70 EDIDRO COc1cc(Cl)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159992036 206275301 /nfs/dbraw/zinc/27/53/01/206275301.db2.gz LMDMKPIJGBFJKS-ZDUSSCGKSA-N 1 0 326.824 1.925 20 70 EDIDRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000160380407 206295080 /nfs/dbraw/zinc/29/50/80/206295080.db2.gz SYMABESYAIDSIR-GOSISDBHSA-N 1 0 331.460 1.825 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160965078 206321097 /nfs/dbraw/zinc/32/10/97/206321097.db2.gz CUOONAPCVHBZIZ-LSDHHAIUSA-N 1 0 326.462 1.704 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 ZINC000160995100 206322178 /nfs/dbraw/zinc/32/21/78/206322178.db2.gz MWBFIQJQQOPITM-UHFFFAOYSA-N 1 0 331.460 1.584 20 70 EDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2CO)CC1 ZINC000161245784 206338256 /nfs/dbraw/zinc/33/82/56/206338256.db2.gz WZJSLZGNBGLYPY-WMLDXEAASA-N 1 0 332.448 1.773 20 70 EDIDRO COC1(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000161313764 532975310 /nfs/dbraw/zinc/97/53/10/532975310.db2.gz ZYFWFYYQYYWBJB-ZFWWWQNUSA-N 1 0 331.416 1.065 20 70 EDIDRO C[NH+](C)C1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000159536831 225236834 /nfs/dbraw/zinc/23/68/34/225236834.db2.gz ZMKKQUVFEKULJW-UHFFFAOYSA-N 1 0 334.395 1.522 20 70 EDIDRO CN1C(=O)COc2ccc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc21 ZINC000159571985 441821643 /nfs/dbraw/zinc/82/16/43/441821643.db2.gz GXHRZDKQNQLPOV-OAHLLOKOSA-N 1 0 337.379 1.695 20 70 EDIDRO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]1C(=O)NC1CC1)C(C)C ZINC000159385981 441807762 /nfs/dbraw/zinc/80/77/62/441807762.db2.gz FBVWMPWLRTXPMG-INIZCTEOSA-N 1 0 338.496 1.948 20 70 EDIDRO Cc1nn(C)c(Cl)c1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159428054 441811120 /nfs/dbraw/zinc/81/11/20/441811120.db2.gz NCAUQANHGUCFJM-CQSZACIVSA-N 1 0 339.871 1.296 20 70 EDIDRO C[N@H+](CC(=O)NCCc1nnc2n1CCCCC2)[C@H]1CCSC1 ZINC000159439124 441812657 /nfs/dbraw/zinc/81/26/57/441812657.db2.gz NUMHBIKOSRVHOH-ZDUSSCGKSA-N 1 0 337.493 1.101 20 70 EDIDRO [NH3+]C1(CNC(=O)CCn2ncc(=O)c3ccccc32)CCCCC1 ZINC000159561900 441821578 /nfs/dbraw/zinc/82/15/78/441821578.db2.gz WVMNNODQJFUCKX-UHFFFAOYSA-N 1 0 328.416 1.564 20 70 EDIDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cnn1CC(C)C ZINC000160116666 441859883 /nfs/dbraw/zinc/85/98/83/441859883.db2.gz BJEANTSMTUPSCY-OAHLLOKOSA-N 1 0 349.479 1.165 20 70 EDIDRO CC1CC[NH+](CCNC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000160305913 441871306 /nfs/dbraw/zinc/87/13/06/441871306.db2.gz KYHYCHDJCOZJOT-UHFFFAOYSA-N 1 0 332.439 1.701 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)no2)c1 ZINC000159717836 441832284 /nfs/dbraw/zinc/83/22/84/441832284.db2.gz STFNKCHPOXOUDF-WMLDXEAASA-N 1 0 343.431 1.784 20 70 EDIDRO COC(=O)N[C@H](CC(C)C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159779903 441836637 /nfs/dbraw/zinc/83/66/37/441836637.db2.gz KZUGAISCAGSFBE-OAHLLOKOSA-N 1 0 325.453 1.748 20 70 EDIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000159850446 441843289 /nfs/dbraw/zinc/84/32/89/441843289.db2.gz FLHPNPKRTCJKPP-QWHCGFSZSA-N 1 0 337.468 1.330 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cncn1-c1ccccc1 ZINC000160678633 441908107 /nfs/dbraw/zinc/90/81/07/441908107.db2.gz CIFKYOYILWRXSH-UHFFFAOYSA-N 1 0 328.416 1.306 20 70 EDIDRO CCN(C(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000160817567 441923811 /nfs/dbraw/zinc/92/38/11/441923811.db2.gz NCQHGPRITVQWAD-OAHLLOKOSA-N 1 0 347.525 1.668 20 70 EDIDRO COC1(C(=O)N2CCO[C@H](c3ccc(C)cc3C)C2)CC[NH2+]CC1 ZINC000160417151 441880128 /nfs/dbraw/zinc/88/01/28/441880128.db2.gz HJFZKKWEVHLJBW-KRWDZBQOSA-N 1 0 332.444 1.972 20 70 EDIDRO CN(C)C(=O)CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000160503995 441889819 /nfs/dbraw/zinc/88/98/19/441889819.db2.gz GRWLOUHOBKPGIM-UHFFFAOYSA-N 1 0 347.463 1.418 20 70 EDIDRO CC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000160513661 441890962 /nfs/dbraw/zinc/89/09/62/441890962.db2.gz BMLLJHPOCRPDIW-INIZCTEOSA-N 1 0 348.472 1.084 20 70 EDIDRO Cc1cccc2[nH]c(CCC(=O)NC[C@H](O)C[NH+]3CCCCC3)nc21 ZINC000160507637 441891866 /nfs/dbraw/zinc/89/18/66/441891866.db2.gz BLIZFBXNUBGAIY-HNNXBMFYSA-N 1 0 344.459 1.767 20 70 EDIDRO Cc1ccc(-c2nnn(CC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000160533067 441893562 /nfs/dbraw/zinc/89/35/62/441893562.db2.gz QKWGPUPXHKRUDP-GASCZTMLSA-N 1 0 326.404 1.001 20 70 EDIDRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237770 441976233 /nfs/dbraw/zinc/97/62/33/441976233.db2.gz RKOBIBPTYAPZQB-CYBMUJFWSA-N 1 0 343.431 1.785 20 70 EDIDRO CC(C)[NH+](CCNC(=O)N1CCCN(c2cccnn2)CC1)C(C)C ZINC000160881881 441930589 /nfs/dbraw/zinc/93/05/89/441930589.db2.gz KLNYWDZOAUKOKC-UHFFFAOYSA-N 1 0 348.495 1.817 20 70 EDIDRO COCCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000161061229 441952569 /nfs/dbraw/zinc/95/25/69/441952569.db2.gz NYPBYRFLEVNPII-UHFFFAOYSA-N 1 0 328.416 1.842 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000161366166 441991422 /nfs/dbraw/zinc/99/14/22/441991422.db2.gz SKVIQXMXALOLNY-ZIAGYGMSSA-N 1 0 331.416 1.259 20 70 EDIDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000161390743 441993398 /nfs/dbraw/zinc/99/33/98/441993398.db2.gz VRAYFNRDSDVVNH-QWHCGFSZSA-N 1 0 349.397 1.778 20 70 EDIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000161316744 441984200 /nfs/dbraw/zinc/98/42/00/441984200.db2.gz DPUWVRWRDTWMQH-INIZCTEOSA-N 1 0 335.492 1.968 20 70 EDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000161476559 442002463 /nfs/dbraw/zinc/00/24/63/442002463.db2.gz UAOLPQHIXNNDDH-JTQLQIEISA-N 1 0 347.289 1.646 20 70 EDIDRO CC(C)([NH3+])CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000160122785 527255270 /nfs/dbraw/zinc/25/52/70/527255270.db2.gz RAZMTZHJQLHXIG-UHFFFAOYSA-N 1 0 338.205 1.758 20 70 EDIDRO CCN(CCCCS(C)(=O)=O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000161120011 540030894 /nfs/dbraw/zinc/03/08/94/540030894.db2.gz CLKITXHMCHNJNZ-UHFFFAOYSA-N 1 0 337.445 1.570 20 70 EDIDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(C(=O)NC2CC2)cc1 ZINC000159496809 206248389 /nfs/dbraw/zinc/24/83/89/206248389.db2.gz UMBZLCGKNQXRJD-UHFFFAOYSA-N 1 0 345.443 1.421 20 70 EDIDRO CC[C@H](CO)[NH+]1CCN([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000159741418 206261371 /nfs/dbraw/zinc/26/13/71/206261371.db2.gz GQYCNUVUKPCUTL-QAPCUYQASA-N 1 0 349.450 1.710 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000159841996 206266936 /nfs/dbraw/zinc/26/69/36/206266936.db2.gz RJNBVFQEWDBVFW-INIZCTEOSA-N 1 0 330.432 1.529 20 70 EDIDRO CN(CCc1ccncc1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160217600 206284304 /nfs/dbraw/zinc/28/43/04/206284304.db2.gz SQTDZHPVHJZSQO-IBGZPJMESA-N 1 0 340.471 1.975 20 70 EDIDRO [NH3+][C@@H]1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000160302035 206289264 /nfs/dbraw/zinc/28/92/64/206289264.db2.gz YJHGYCAVXDRIKD-LLVKDONJSA-N 1 0 345.790 1.556 20 70 EDIDRO COc1ccc(-c2cc(C(=O)NCCN3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000160390928 206294322 /nfs/dbraw/zinc/29/43/22/206294322.db2.gz ZOSCNLHCWNTUFY-UHFFFAOYSA-N 1 0 343.431 1.063 20 70 EDIDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160879535 206316659 /nfs/dbraw/zinc/31/66/59/206316659.db2.gz XFTZFBIDWSMRJM-UHFFFAOYSA-N 1 0 346.435 1.524 20 70 EDIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161018657 206323213 /nfs/dbraw/zinc/32/32/13/206323213.db2.gz URNGHLSGZDMRIO-ZDUSSCGKSA-N 1 0 341.411 1.761 20 70 EDIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(N2CCOC2=O)c1 ZINC000160565809 206304535 /nfs/dbraw/zinc/30/45/35/206304535.db2.gz MESMLMINUIUXKM-SNVBAGLBSA-N 1 0 345.321 1.972 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000161200152 206334623 /nfs/dbraw/zinc/33/46/23/206334623.db2.gz IONMFNRENMBIST-HNNXBMFYSA-N 1 0 325.453 1.701 20 70 EDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)C1 ZINC000161249234 206336828 /nfs/dbraw/zinc/33/68/28/206336828.db2.gz MDZBUUAHXQLCNU-GIYGXLGSSA-N 1 0 345.443 1.409 20 70 EDIDRO C[C@]1(C(=O)NCCNc2nccc(C(F)(F)F)n2)CCC[NH2+]C1 ZINC000161339286 206341648 /nfs/dbraw/zinc/34/16/48/206341648.db2.gz WKGKGAHSKHOEKV-ZDUSSCGKSA-N 1 0 331.342 1.413 20 70 EDIDRO CC[NH+](CC)CCN(C(=O)c1cc[nH]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161502643 206353086 /nfs/dbraw/zinc/35/30/86/206353086.db2.gz BDDQIVLJARJVPA-AWEZNQCLSA-N 1 0 341.477 1.294 20 70 EDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN(C)C(=O)C2)CC1 ZINC000161166071 287156927 /nfs/dbraw/zinc/15/69/27/287156927.db2.gz DTHSRBULPZEDAW-AWEZNQCLSA-N 1 0 345.447 1.091 20 70 EDIDRO NC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161400744 225620456 /nfs/dbraw/zinc/62/04/56/225620456.db2.gz QMXTZBXEJTVMLP-HNNXBMFYSA-N 1 0 325.416 1.703 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000159800337 267496470 /nfs/dbraw/zinc/49/64/70/267496470.db2.gz WRNNKSKFPWXNBF-KRWDZBQOSA-N 1 0 340.427 1.618 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000159886643 279287176 /nfs/dbraw/zinc/28/71/76/279287176.db2.gz FGRZBJDXOFPUJI-AWEZNQCLSA-N 1 0 334.468 1.454 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000160266284 301703368 /nfs/dbraw/zinc/70/33/68/301703368.db2.gz MOXZEYRCXYIYGM-CYBMUJFWSA-N 1 0 339.461 1.247 20 70 EDIDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000159410275 302917679 /nfs/dbraw/zinc/91/76/79/302917679.db2.gz URJUCBRXVOQZCO-ZNMIVQPWSA-N 1 0 338.473 1.585 20 70 EDIDRO COc1ccc(Cn2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)cc1 ZINC000159455850 441815372 /nfs/dbraw/zinc/81/53/72/441815372.db2.gz MMCBKFZGFBGBRY-CALCHBBNSA-N 1 0 340.427 1.907 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2cccs2)n[nH]1 ZINC000160244184 441867828 /nfs/dbraw/zinc/86/78/28/441867828.db2.gz PTWLWZBBVODHEF-GFCCVEGCSA-N 1 0 334.445 1.715 20 70 EDIDRO C[C@@H](CN1CCOCC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160313933 441870473 /nfs/dbraw/zinc/87/04/73/441870473.db2.gz CJIMPDASZSDNHV-HNNXBMFYSA-N 1 0 326.485 1.223 20 70 EDIDRO COc1cccc(N2C[C@@H](C(=O)NCC3([NH3+])CCCCC3)CC2=O)c1 ZINC000159747738 441835818 /nfs/dbraw/zinc/83/58/18/441835818.db2.gz VUPPIEMBSGUQNJ-AWEZNQCLSA-N 1 0 345.443 1.826 20 70 EDIDRO C[NH+]1CCC(NC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000159855247 441842697 /nfs/dbraw/zinc/84/26/97/441842697.db2.gz NGNLKYQCJAVAJL-QGZVFWFLSA-N 1 0 325.453 1.986 20 70 EDIDRO C[NH+]1CCC(CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000159881710 441844074 /nfs/dbraw/zinc/84/40/74/441844074.db2.gz MVCZBMOIMGEXBJ-UHFFFAOYSA-N 1 0 332.448 1.913 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(-c2ccccc2)no1 ZINC000160645032 441904634 /nfs/dbraw/zinc/90/46/34/441904634.db2.gz PTPSOOUNGAXQJN-UHFFFAOYSA-N 1 0 329.400 1.776 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000160685810 441909108 /nfs/dbraw/zinc/90/91/08/441909108.db2.gz WDUJCLWZBGRTBH-UHFFFAOYSA-N 1 0 341.249 1.883 20 70 EDIDRO CCOc1ncc(C(=O)NCC2CC[NH+](CCO)CC2)cc1Cl ZINC000160537063 441893947 /nfs/dbraw/zinc/89/39/47/441893947.db2.gz TZAJZLCDWSBUGQ-UHFFFAOYSA-N 1 0 341.839 1.568 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160555119 441896236 /nfs/dbraw/zinc/89/62/36/441896236.db2.gz NVSSKMCVBXBCDK-FZMZJTMJSA-N 1 0 349.460 1.160 20 70 EDIDRO C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)N1CCc2ccccc2C1 ZINC000160567538 441897965 /nfs/dbraw/zinc/89/79/65/441897965.db2.gz CAWBUAKFRPMWSM-MRXNPFEDSA-N 1 0 345.487 1.254 20 70 EDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H](O)C2)CC1 ZINC000161182086 441968557 /nfs/dbraw/zinc/96/85/57/441968557.db2.gz OPGMCUYXQCQVNY-YOEHRIQHSA-N 1 0 332.448 1.773 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000161207703 441972789 /nfs/dbraw/zinc/97/27/89/441972789.db2.gz XIXJLZJBUJDJRV-UHFFFAOYSA-N 1 0 333.432 1.442 20 70 EDIDRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H](C)[NH3+])CC2)cc1 ZINC000161254600 441977022 /nfs/dbraw/zinc/97/70/22/441977022.db2.gz SKLRKVXSWOHERC-UONOGXRCSA-N 1 0 333.432 1.034 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC000161092807 441956571 /nfs/dbraw/zinc/95/65/71/441956571.db2.gz AEMUIJPNBYLLEB-SFHVURJKSA-N 1 0 339.524 1.972 20 70 EDIDRO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000161403056 441996997 /nfs/dbraw/zinc/99/69/97/441996997.db2.gz YSAAMYGUZZRAHW-HOTGVXAUSA-N 1 0 335.473 1.635 20 70 EDIDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161299278 441982031 /nfs/dbraw/zinc/98/20/31/441982031.db2.gz BRGAFJFGGQEWAW-ZDUSSCGKSA-N 1 0 336.461 1.922 20 70 EDIDRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161130289 486642703 /nfs/dbraw/zinc/64/27/03/486642703.db2.gz FLTXUIMBARJJAH-QWHCGFSZSA-N 1 0 339.461 1.293 20 70 EDIDRO CO[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000218581913 486649955 /nfs/dbraw/zinc/64/99/55/486649955.db2.gz WMZCGLVONGBNSI-GHMZBOCLSA-N 1 0 336.816 1.606 20 70 EDIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286968 139020686 /nfs/dbraw/zinc/02/06/86/139020686.db2.gz JMEIZIRQFSGKHL-MRXNPFEDSA-N 1 0 332.448 1.429 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1CC ZINC000159519589 206249272 /nfs/dbraw/zinc/24/92/72/206249272.db2.gz HNEDLIMKFWHSNB-STQMWFEESA-N 1 0 349.479 1.567 20 70 EDIDRO CSC[C@](C)(O)CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000159587521 206252382 /nfs/dbraw/zinc/25/23/82/206252382.db2.gz HOUGQMRQWVVXML-RHSMWYFYSA-N 1 0 339.505 1.920 20 70 EDIDRO CCc1cc2c(C[N@H+](C)CC(C)(CO)CO)cc(=O)oc2cc1O ZINC000159568327 206252660 /nfs/dbraw/zinc/25/26/60/206252660.db2.gz OLMGFYUKPJQTBJ-UHFFFAOYSA-N 1 0 335.400 1.484 20 70 EDIDRO CC(C)C(=O)NCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159886568 206268707 /nfs/dbraw/zinc/26/87/07/206268707.db2.gz CQVICDAQIXPDOY-UHFFFAOYSA-N 1 0 326.485 1.522 20 70 EDIDRO COc1ccc(-c2noc(CCCC(=O)NCC(C)(C)[NH3+])n2)cc1 ZINC000159990806 206275147 /nfs/dbraw/zinc/27/51/47/206275147.db2.gz MOCJHZAULRYALQ-UHFFFAOYSA-N 1 0 332.404 1.921 20 70 EDIDRO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000159990520 206275401 /nfs/dbraw/zinc/27/54/01/206275401.db2.gz JZRMUXJNCVRNMH-JTQLQIEISA-N 1 0 339.823 1.555 20 70 EDIDRO COc1ccc(Cl)cc1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160195897 206283351 /nfs/dbraw/zinc/28/33/51/206283351.db2.gz PKQOYTMDFNGSLQ-OAHLLOKOSA-N 1 0 340.851 1.854 20 70 EDIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000160301149 206289417 /nfs/dbraw/zinc/28/94/17/206289417.db2.gz SUVGJEXGKZULEU-DLBZAZTESA-N 1 0 349.475 1.929 20 70 EDIDRO CN(C[C@H]1CCC[C@@H]1O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000160301018 206290390 /nfs/dbraw/zinc/29/03/90/206290390.db2.gz SUVGJEXGKZULEU-SJORKVTESA-N 1 0 349.475 1.929 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc([C@@H]2CCCO2)n1 ZINC000160427453 206297446 /nfs/dbraw/zinc/29/74/46/206297446.db2.gz MBPIIKLUQSQALD-OCCSQVGLSA-N 1 0 339.461 1.571 20 70 EDIDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160664345 206307734 /nfs/dbraw/zinc/30/77/34/206307734.db2.gz IQNGPUWCBOSQEZ-HNNXBMFYSA-N 1 0 338.411 1.898 20 70 EDIDRO O=C(CSc1nc2ccccc2o1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160700747 206310288 /nfs/dbraw/zinc/31/02/88/206310288.db2.gz ZNTFCBHWOMQQOP-ZDUSSCGKSA-N 1 0 349.456 1.883 20 70 EDIDRO COC[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C1CC1 ZINC000160704933 206310503 /nfs/dbraw/zinc/31/05/03/206310503.db2.gz RNAWXNDRCGIGMU-HNNXBMFYSA-N 1 0 334.420 1.394 20 70 EDIDRO CC(C)CC(=O)NCCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000161277630 206338990 /nfs/dbraw/zinc/33/89/90/206338990.db2.gz LXCGBINXTHSAHQ-QGZVFWFLSA-N 1 0 333.476 1.828 20 70 EDIDRO COc1ccc(OC)c2c1CN(C(=O)[C@@]1(C)CCC[NH2+]C1)C[C@H]2O ZINC000161314624 206340109 /nfs/dbraw/zinc/34/01/09/206340109.db2.gz UHFRDYCGMQJZDO-ACJLOTCBSA-N 1 0 334.416 1.469 20 70 EDIDRO COCc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)no1 ZINC000160377841 225399138 /nfs/dbraw/zinc/39/91/38/225399138.db2.gz FRNSCJCIJFJVFL-HZPDHXFCSA-N 1 0 337.420 1.319 20 70 EDIDRO Cc1nc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cn1C ZINC000160104631 225339395 /nfs/dbraw/zinc/33/93/95/225339395.db2.gz LDIAQLZGLTUUSA-AWEZNQCLSA-N 1 0 326.466 1.368 20 70 EDIDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161366159 276782925 /nfs/dbraw/zinc/78/29/25/276782925.db2.gz YNDZRTCLHJDFAQ-VHSXEESVSA-N 1 0 330.354 1.696 20 70 EDIDRO C[C@@H]1Oc2ccccc2N(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000160511911 279064583 /nfs/dbraw/zinc/06/45/83/279064583.db2.gz ISTMSRAADPCIQQ-MELADBBJSA-N 1 0 329.400 1.153 20 70 EDIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000159365304 441806831 /nfs/dbraw/zinc/80/68/31/441806831.db2.gz JWDUGTSWKYHEEQ-MRXNPFEDSA-N 1 0 349.523 1.851 20 70 EDIDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000159449157 441812875 /nfs/dbraw/zinc/81/28/75/441812875.db2.gz BVLBDGGHFCMKFA-HNNXBMFYSA-N 1 0 341.459 1.805 20 70 EDIDRO CCOCCO[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000159445803 441813451 /nfs/dbraw/zinc/81/34/51/441813451.db2.gz CUWFLLWSLRAVAZ-IRXDYDNUSA-N 1 0 341.496 1.944 20 70 EDIDRO C[C@@H](CCO)NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000159619561 441824741 /nfs/dbraw/zinc/82/47/41/441824741.db2.gz WFFRQKRDCVOUJB-STQMWFEESA-N 1 0 341.402 1.999 20 70 EDIDRO CC(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159729218 441833589 /nfs/dbraw/zinc/83/35/89/441833589.db2.gz FTSHDRODTPFPLH-GASCZTMLSA-N 1 0 336.457 1.835 20 70 EDIDRO COc1cccc(N2C[C@H](C(=O)NCC3([NH3+])CCCCC3)CC2=O)c1 ZINC000159747597 441835079 /nfs/dbraw/zinc/83/50/79/441835079.db2.gz VUPPIEMBSGUQNJ-CQSZACIVSA-N 1 0 345.443 1.826 20 70 EDIDRO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160344695 441873551 /nfs/dbraw/zinc/87/35/51/441873551.db2.gz NYOBJORPCXXJOB-OAHLLOKOSA-N 1 0 342.447 1.388 20 70 EDIDRO CCC(=O)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160817878 441924077 /nfs/dbraw/zinc/92/40/77/441924077.db2.gz HEVBWSMQOXBMTP-OAHLLOKOSA-N 1 0 336.480 1.657 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCN1c1nccs1 ZINC000160582024 441898472 /nfs/dbraw/zinc/89/84/72/441898472.db2.gz WEKUKSXMHZXURO-KBPBESRZSA-N 1 0 338.477 1.075 20 70 EDIDRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160881197 441931170 /nfs/dbraw/zinc/93/11/70/441931170.db2.gz KISQPDSWQHRCBF-VHDGCEQUSA-N 1 0 325.478 1.701 20 70 EDIDRO COc1ccc(CNC(=O)[C@@H]2COCCN2)c(OC2CCCC2)c1 ZINC000160898899 441933431 /nfs/dbraw/zinc/93/34/31/441933431.db2.gz PPOVXCKOONPUEW-INIZCTEOSA-N 1 0 334.416 1.621 20 70 EDIDRO COCCc1noc(CN(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000160348445 318422443 /nfs/dbraw/zinc/42/24/43/318422443.db2.gz UWUAQVBGTJFWDE-CQSZACIVSA-N 1 0 332.404 1.697 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2cccc(NC(=O)C3CC3)c2)C1 ZINC000161504596 486644767 /nfs/dbraw/zinc/64/47/67/486644767.db2.gz ZMAINZCHRAQONM-UONOGXRCSA-N 1 0 331.416 1.800 20 70 EDIDRO CC[C@H](O)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000160699704 535967897 /nfs/dbraw/zinc/96/78/97/535967897.db2.gz XWQCBUSXEQARAU-HNNXBMFYSA-N 1 0 327.469 1.482 20 70 EDIDRO CCOc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159913197 206269643 /nfs/dbraw/zinc/26/96/43/206269643.db2.gz DDGBMZJKAKIDGC-QGZVFWFLSA-N 1 0 334.460 1.981 20 70 EDIDRO O=C(COc1ccccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159956657 206271785 /nfs/dbraw/zinc/27/17/85/206271785.db2.gz BJIISZASZRSSJV-ZDUSSCGKSA-N 1 0 326.824 1.682 20 70 EDIDRO Cc1ccc(C(=O)CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160004225 206274601 /nfs/dbraw/zinc/27/46/01/206274601.db2.gz HYAODKMINJUNPS-KRWDZBQOSA-N 1 0 332.444 1.921 20 70 EDIDRO [NH3+]CCCNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000160140783 206282212 /nfs/dbraw/zinc/28/22/12/206282212.db2.gz GCULMKPFWNIPID-OAHLLOKOSA-N 1 0 333.432 1.159 20 70 EDIDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)C1 ZINC000160453423 206297036 /nfs/dbraw/zinc/29/70/36/206297036.db2.gz RNWALSZVSOCCJD-AWEZNQCLSA-N 1 0 344.459 1.736 20 70 EDIDRO COc1ccc(C(C)(C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160654202 206307444 /nfs/dbraw/zinc/30/74/44/206307444.db2.gz DIAYFWSUYRAMCV-INIZCTEOSA-N 1 0 334.460 1.936 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cncn1-c1ccccc1 ZINC000160668646 206309176 /nfs/dbraw/zinc/30/91/76/206309176.db2.gz KFECGTRIWACAQE-MRXNPFEDSA-N 1 0 328.416 1.449 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc32)C1 ZINC000160759171 206312528 /nfs/dbraw/zinc/31/25/28/206312528.db2.gz WXNRQZFKUFBPDL-AAEUAGOBSA-N 1 0 331.445 1.480 20 70 EDIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@H]3CCOC3)nc(N)c21 ZINC000161426348 206347366 /nfs/dbraw/zinc/34/73/66/206347366.db2.gz XXBSFVHNMRKUER-LLVKDONJSA-N 1 0 348.403 1.758 20 70 EDIDRO Cn1c(=O)cccc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000161505904 206353003 /nfs/dbraw/zinc/35/30/03/206353003.db2.gz CGWUUCIOZWUISZ-UHFFFAOYSA-N 1 0 331.391 1.728 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000160409583 272929595 /nfs/dbraw/zinc/92/95/95/272929595.db2.gz HWADYAHRCUAFEP-UHFFFAOYSA-N 1 0 326.462 1.793 20 70 EDIDRO COc1cc(CCC(=O)NCCN2CC[NH+](C)CC2)ccc1Cl ZINC000161176432 272930517 /nfs/dbraw/zinc/93/05/17/272930517.db2.gz GXHDOVOSGJLBJQ-UHFFFAOYSA-N 1 0 339.867 1.645 20 70 EDIDRO COC(=O)CCc1nnc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])s1 ZINC000159461012 441815481 /nfs/dbraw/zinc/81/54/81/441815481.db2.gz BQFGCADOJRLIQM-GHMZBOCLSA-N 1 0 340.449 1.880 20 70 EDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000159396982 441810508 /nfs/dbraw/zinc/81/05/08/441810508.db2.gz SNOYHUHLTSEMPC-KRWDZBQOSA-N 1 0 335.423 1.619 20 70 EDIDRO C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)C[C@@H]1CCC[C@@H]1O ZINC000159444612 441813241 /nfs/dbraw/zinc/81/32/41/441813241.db2.gz MKEGXPHATFACKW-WMZOPIPTSA-N 1 0 342.443 1.581 20 70 EDIDRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160111669 441859852 /nfs/dbraw/zinc/85/98/52/441859852.db2.gz ZUAZFHCNEMZVLG-CQSZACIVSA-N 1 0 327.450 1.930 20 70 EDIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CC)COC)[C@@H](C)C1 ZINC000160151550 441862364 /nfs/dbraw/zinc/86/23/64/441862364.db2.gz WAMMLWHAWDXNKX-HRCADAONSA-N 1 0 329.485 1.848 20 70 EDIDRO O=C(C[C@@H]1CSCCS1)N1CC[NH+](C2CCOCC2)CC1 ZINC000160251057 441867552 /nfs/dbraw/zinc/86/75/52/441867552.db2.gz HJQJIIBAWKKCSM-CQSZACIVSA-N 1 0 330.519 1.548 20 70 EDIDRO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159752539 441835828 /nfs/dbraw/zinc/83/58/28/441835828.db2.gz XCXBTOVBKXTTBS-OAHLLOKOSA-N 1 0 349.479 1.134 20 70 EDIDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)C1 ZINC000159789249 441837566 /nfs/dbraw/zinc/83/75/66/441837566.db2.gz CMZCTVXUMXNBBZ-CABCVRRESA-N 1 0 335.452 1.868 20 70 EDIDRO CC(C)COC(=O)N1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000159993961 441852592 /nfs/dbraw/zinc/85/25/92/441852592.db2.gz JQOUKIJCHUNVOV-IYBDPMFKSA-N 1 0 337.464 1.844 20 70 EDIDRO O=C(Cc1c[nH]c2ccc(F)cc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160607784 441900464 /nfs/dbraw/zinc/90/04/64/441900464.db2.gz JPEZOZYHRHYJJY-HNNXBMFYSA-N 1 0 333.407 1.813 20 70 EDIDRO [NH3+]CC1(C(=O)NCCCN2C(=O)COc3ccccc32)CCCC1 ZINC000160670999 441908092 /nfs/dbraw/zinc/90/80/92/441908092.db2.gz QRACLRJDMOVDKQ-UHFFFAOYSA-N 1 0 331.416 1.437 20 70 EDIDRO CCC(=O)Nc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160711877 441913442 /nfs/dbraw/zinc/91/34/42/441913442.db2.gz LGMZMECEVZKINU-UHFFFAOYSA-N 1 0 333.432 1.469 20 70 EDIDRO C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160760426 441917646 /nfs/dbraw/zinc/91/76/46/441917646.db2.gz XBCBYBWCYAFHRX-YMTOWFKASA-N 1 0 332.372 1.108 20 70 EDIDRO Cc1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(=O)[nH]c1C ZINC000160392596 441876362 /nfs/dbraw/zinc/87/63/62/441876362.db2.gz GGLNMEJDOVSMOH-CYBMUJFWSA-N 1 0 330.388 1.547 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(OC(F)F)cc1 ZINC000160552155 441896649 /nfs/dbraw/zinc/89/66/49/441896649.db2.gz PGURLIUGRYIABB-UHFFFAOYSA-N 1 0 328.359 1.722 20 70 EDIDRO CCOc1ccccc1[C@H](CC(=O)N1CC[C@@H]([NH2+]C)C1)NC(C)=O ZINC000160578853 441898804 /nfs/dbraw/zinc/89/88/04/441898804.db2.gz KYKGOLABBXCPSY-ZBFHGGJFSA-N 1 0 333.432 1.473 20 70 EDIDRO COCCC1(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000161026178 441947875 /nfs/dbraw/zinc/94/78/75/441947875.db2.gz SCTPZNOPSDRKLD-OAHLLOKOSA-N 1 0 327.469 1.195 20 70 EDIDRO Cc1cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)ncn1 ZINC000161311249 441983831 /nfs/dbraw/zinc/98/38/31/441983831.db2.gz XXJQMOGLTOWFLY-QGZVFWFLSA-N 1 0 326.400 1.588 20 70 EDIDRO COC1(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000161313633 441984312 /nfs/dbraw/zinc/98/43/12/441984312.db2.gz ZYFWFYYQYYWBJB-HIFRSBDPSA-N 1 0 331.416 1.065 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCNC(=O)N2CCc3ccccc3C2)C1 ZINC000161033991 486642109 /nfs/dbraw/zinc/64/21/09/486642109.db2.gz QMFAMHQZLYGJOB-SJORKVTESA-N 1 0 344.459 1.531 20 70 EDIDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc(S(=O)(=O)N(C)C)c1C ZINC000160377663 500952430 /nfs/dbraw/zinc/95/24/30/500952430.db2.gz UDQPCFKUORZMDL-CQSZACIVSA-N 1 0 339.461 1.117 20 70 EDIDRO CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000160274959 540022263 /nfs/dbraw/zinc/02/22/63/540022263.db2.gz LUDBJMPFKOFKGD-MLGOLLRUSA-N 1 0 334.420 1.510 20 70 EDIDRO CCN(CC)S(=O)(=O)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159730443 284739620 /nfs/dbraw/zinc/73/96/20/284739620.db2.gz BYUJSEMTZCLMID-UHFFFAOYSA-N 1 0 333.498 1.087 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC000160793305 533037996 /nfs/dbraw/zinc/03/79/96/533037996.db2.gz QXHDIJLQCBIHTH-HNNXBMFYSA-N 1 0 345.830 1.984 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159953128 533604688 /nfs/dbraw/zinc/60/46/88/533604688.db2.gz AIVYXONCSVIFID-VXGBXAGGSA-N 1 0 325.409 1.128 20 70 EDIDRO Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159918480 533630677 /nfs/dbraw/zinc/63/06/77/533630677.db2.gz REDPCZUSEZISDQ-OAHLLOKOSA-N 1 0 329.444 1.982 20 70 EDIDRO O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159869007 225294118 /nfs/dbraw/zinc/29/41/18/225294118.db2.gz QULWCJOUAMSXPP-UHFFFAOYSA-N 1 0 328.416 1.320 20 70 EDIDRO C[NH+](C)C1(CNC(=O)NCc2ccc(O)c(F)c2)CCOCC1 ZINC000159958743 225310461 /nfs/dbraw/zinc/31/04/61/225310461.db2.gz QVNHOPOGZAHGCO-UHFFFAOYSA-N 1 0 325.384 1.441 20 70 EDIDRO COc1cc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160077426 267499539 /nfs/dbraw/zinc/49/95/39/267499539.db2.gz PEFUIOJYEJRJNF-CQSZACIVSA-N 1 0 336.432 1.589 20 70 EDIDRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000161252693 272930667 /nfs/dbraw/zinc/93/06/67/272930667.db2.gz VOJUMTPOPOZKDP-OALUTQOASA-N 1 0 346.471 1.924 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)C1 ZINC000160562438 277040129 /nfs/dbraw/zinc/04/01/29/277040129.db2.gz ZMHKQYRXYYCLRP-UONOGXRCSA-N 1 0 348.422 1.890 20 70 EDIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000160321487 441872674 /nfs/dbraw/zinc/87/26/74/441872674.db2.gz GRUIDWCXIUCROI-AWEZNQCLSA-N 1 0 332.439 1.843 20 70 EDIDRO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159752651 441835509 /nfs/dbraw/zinc/83/55/09/441835509.db2.gz XCXBTOVBKXTTBS-HNNXBMFYSA-N 1 0 349.479 1.134 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000160716459 441913651 /nfs/dbraw/zinc/91/36/51/441913651.db2.gz SPGMHTZWEQYLRL-ZBFHGGJFSA-N 1 0 334.439 1.157 20 70 EDIDRO O=C(CCc1cccc(F)c1F)NCC1CC[NH+](CCO)CC1 ZINC000160727671 441914863 /nfs/dbraw/zinc/91/48/63/441914863.db2.gz ASNHFTSCZZXPQF-UHFFFAOYSA-N 1 0 326.387 1.718 20 70 EDIDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160394187 441876670 /nfs/dbraw/zinc/87/66/70/441876670.db2.gz GNIWMLRFICGCBF-IKGGRYGDSA-N 1 0 339.480 1.696 20 70 EDIDRO Cc1ccoc1C(=O)NCCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000160385367 441876833 /nfs/dbraw/zinc/87/68/33/441876833.db2.gz RJGZFQKQJNTVBJ-CQSZACIVSA-N 1 0 335.448 1.850 20 70 EDIDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccn(CCC(C)C)n1)C1CC1 ZINC000160423307 441880617 /nfs/dbraw/zinc/88/06/17/441880617.db2.gz LTTVBBOGGUYLDW-UHFFFAOYSA-N 1 0 335.452 1.468 20 70 EDIDRO NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)O1 ZINC000161196926 441971569 /nfs/dbraw/zinc/97/15/69/441971569.db2.gz XUMPFHORIVYABT-HOTGVXAUSA-N 1 0 331.416 1.045 20 70 EDIDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237653 441975828 /nfs/dbraw/zinc/97/58/28/441975828.db2.gz RKOBIBPTYAPZQB-ZDUSSCGKSA-N 1 0 343.431 1.785 20 70 EDIDRO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000160842159 441927634 /nfs/dbraw/zinc/92/76/34/441927634.db2.gz FEEHOEQPTDKRAV-WBMJQRKESA-N 1 0 334.416 1.811 20 70 EDIDRO CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1Cl ZINC000160959223 441941638 /nfs/dbraw/zinc/94/16/38/441941638.db2.gz PVSHIORJWFXLPY-CYBMUJFWSA-N 1 0 339.823 1.888 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCn2c3ccccc3n(C)c2=O)CC1 ZINC000161076185 441953251 /nfs/dbraw/zinc/95/32/51/441953251.db2.gz XLZZJGAYVRVJCX-UHFFFAOYSA-N 1 0 344.459 1.578 20 70 EDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)C1 ZINC000161133500 441960782 /nfs/dbraw/zinc/96/07/82/441960782.db2.gz DNRFJAKRTSYTMX-OLZOCXBDSA-N 1 0 335.452 1.352 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cn1 ZINC000161184804 441967977 /nfs/dbraw/zinc/96/79/77/441967977.db2.gz FMFDQYDMAABHHP-CQSZACIVSA-N 1 0 346.431 1.040 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000161373443 441992703 /nfs/dbraw/zinc/99/27/03/441992703.db2.gz NBQMXIXOELXZDA-RYUDHWBXSA-N 1 0 340.449 1.254 20 70 EDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000161449949 442001021 /nfs/dbraw/zinc/00/10/21/442001021.db2.gz QPCNTSODAOLRDT-INIZCTEOSA-N 1 0 326.462 1.156 20 70 EDIDRO C[NH+]1CCC(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000161290481 441980553 /nfs/dbraw/zinc/98/05/53/441980553.db2.gz SQFHPXYFYSCDEQ-SNAWJCMRSA-N 1 0 327.388 1.268 20 70 EDIDRO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000161314507 441984560 /nfs/dbraw/zinc/98/45/60/441984560.db2.gz FVYVKRLGCYGAKT-WBMJQRKESA-N 1 0 339.386 1.600 20 70 EDIDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CN1CCNCC1=O ZINC000161456969 442001885 /nfs/dbraw/zinc/00/18/85/442001885.db2.gz WDKRHUPMJOYCTA-OLZOCXBDSA-N 1 0 337.851 1.722 20 70 EDIDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000161340572 441987592 /nfs/dbraw/zinc/98/75/92/441987592.db2.gz FXLIPLNLCFKMBF-CABCVRRESA-N 1 0 328.416 1.178 20 70 EDIDRO COCC[NH+]1CCC(NC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000159729460 318420946 /nfs/dbraw/zinc/42/09/46/318420946.db2.gz PVLPVHITUVEOAD-GFCCVEGCSA-N 1 0 338.452 1.805 20 70 EDIDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000160803878 486638695 /nfs/dbraw/zinc/63/86/95/486638695.db2.gz HTUWIUFPVKSIOF-SKDRFNHKSA-N 1 0 338.351 1.442 20 70 EDIDRO COc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1N1CCNC1=O ZINC000161247620 486643499 /nfs/dbraw/zinc/64/34/99/486643499.db2.gz MBDVBZVHIGMRLF-CHWSQXEVSA-N 1 0 332.404 1.225 20 70 EDIDRO CN1CCN([C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000161428586 486644236 /nfs/dbraw/zinc/64/42/36/486644236.db2.gz KXAQFCGXRHVDGB-BZSNNMDCSA-N 1 0 330.476 1.361 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CS(=O)(=O)CCCc2ccccc2)C1 ZINC000161495411 486644681 /nfs/dbraw/zinc/64/46/81/486644681.db2.gz IBVJQRIECIZQKN-HOTGVXAUSA-N 1 0 338.473 1.420 20 70 EDIDRO Cn1cc(N2CCC[C@@H]([NH+]3CCC(C4OCCO4)CC3)C2=O)cn1 ZINC000160177970 534739239 /nfs/dbraw/zinc/73/92/39/534739239.db2.gz QHOIUJYLQOXIOR-OAHLLOKOSA-N 1 0 334.420 1.000 20 70 EDIDRO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159738589 528231217 /nfs/dbraw/zinc/23/12/17/528231217.db2.gz CYNGCOPFQRAAAV-HOCLYGCPSA-N 1 0 334.416 1.895 20 70 EDIDRO CCOC(=O)CCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160163436 528739847 /nfs/dbraw/zinc/73/98/47/528739847.db2.gz PKINMKDYYXKRJY-CQSZACIVSA-N 1 0 332.466 1.220 20 70 EDIDRO CNC(=O)[C@@H]1CCCN1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000159617715 529902335 /nfs/dbraw/zinc/90/23/35/529902335.db2.gz JYUFEUJBIFTVEK-INIZCTEOSA-N 1 0 338.496 1.665 20 70 EDIDRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1F ZINC000160816915 540026662 /nfs/dbraw/zinc/02/66/62/540026662.db2.gz PFSMBZDGRSWCQI-WBMJQRKESA-N 1 0 338.423 1.884 20 70 EDIDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000161389264 284448291 /nfs/dbraw/zinc/44/82/91/284448291.db2.gz OQGVEVAWCWNGIP-NWDGAFQWSA-N 1 0 337.386 1.491 20 70 EDIDRO COc1ccc(-c2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)cc1 ZINC000161265288 533181601 /nfs/dbraw/zinc/18/16/01/533181601.db2.gz PJCMRTWCNPHHBL-FUHWJXTLSA-N 1 0 326.396 1.701 20 70 EDIDRO O=C(NC1CC1)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000159498680 225228051 /nfs/dbraw/zinc/22/80/51/225228051.db2.gz AXLBWTRGYJVSNT-KRWDZBQOSA-N 1 0 348.491 1.846 20 70 EDIDRO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159747478 225270359 /nfs/dbraw/zinc/27/03/59/225270359.db2.gz MNBNOVHLURBBEZ-SWLSCSKDSA-N 1 0 335.835 1.903 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000159595296 225245742 /nfs/dbraw/zinc/24/57/42/225245742.db2.gz YNKRCTWISXSTSD-ZDUSSCGKSA-N 1 0 334.464 1.639 20 70 EDIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2n[nH]cc2C1)c1ccccc1 ZINC000159597169 225246243 /nfs/dbraw/zinc/24/62/43/225246243.db2.gz NWRHQMOESCKBKL-KRWDZBQOSA-N 1 0 327.432 1.187 20 70 EDIDRO O=C(COc1ccc2c(c1)CCCC2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160061901 225330598 /nfs/dbraw/zinc/33/05/98/225330598.db2.gz UNTLUTVZXGDXNU-GOSISDBHSA-N 1 0 346.471 1.907 20 70 EDIDRO C[C@H](CC1CC1)NC(=O)C[C@@]1(C(=O)N[C@@H](C)CC2CC2)CC[NH2+]C1 ZINC000161226177 225579737 /nfs/dbraw/zinc/57/97/37/225579737.db2.gz HZCFDWQXVWHNHE-TYILLQQXSA-N 1 0 335.492 1.966 20 70 EDIDRO COc1ccc(CNC(=O)C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000160983427 302925057 /nfs/dbraw/zinc/92/50/57/302925057.db2.gz DGLAEAZMDBMNPD-UHFFFAOYSA-N 1 0 341.402 1.631 20 70 EDIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159363119 441805862 /nfs/dbraw/zinc/80/58/62/441805862.db2.gz WXXFOOBOQLRNAG-GHMZBOCLSA-N 1 0 341.358 1.365 20 70 EDIDRO CCCc1noc(CCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000160245566 441867564 /nfs/dbraw/zinc/86/75/64/441867564.db2.gz BJHDLUXRHAZHGL-CQSZACIVSA-N 1 0 338.452 1.308 20 70 EDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCC3(C2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000160324752 441872896 /nfs/dbraw/zinc/87/28/96/441872896.db2.gz ZQQHXNSCUKDAQK-NVXWUHKLSA-N 1 0 345.443 1.808 20 70 EDIDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000160333871 441873825 /nfs/dbraw/zinc/87/38/25/441873825.db2.gz QMEXYBUNJGESSM-LLVKDONJSA-N 1 0 334.401 1.481 20 70 EDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000160614853 441902038 /nfs/dbraw/zinc/90/20/38/441902038.db2.gz FXCSRAMXPGTLAA-IRXDYDNUSA-N 1 0 342.443 1.353 20 70 EDIDRO CC[S@](=O)c1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160643299 441904196 /nfs/dbraw/zinc/90/41/96/441904196.db2.gz UUVZDSAXYXYFCT-LFVRLGFBSA-N 1 0 338.473 1.391 20 70 EDIDRO O=C(CNC(=O)N1CCc2ccccc2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160636525 441904914 /nfs/dbraw/zinc/90/49/14/441904914.db2.gz OBMGIXSPDMTQJY-CALCHBBNSA-N 1 0 342.443 1.107 20 70 EDIDRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160656251 441905742 /nfs/dbraw/zinc/90/57/42/441905742.db2.gz OJUDDIMJZISLTP-DLBZAZTESA-N 1 0 332.444 1.619 20 70 EDIDRO C[C@]1(O)CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000160486236 441888481 /nfs/dbraw/zinc/88/84/81/441888481.db2.gz JQOOOLDDOJJZEA-INIZCTEOSA-N 1 0 341.521 1.904 20 70 EDIDRO CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160506038 441890015 /nfs/dbraw/zinc/89/00/15/441890015.db2.gz RGTITXOXXBWEHP-PBWFPOADSA-N 1 0 325.453 1.937 20 70 EDIDRO COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160539384 441893499 /nfs/dbraw/zinc/89/34/99/441893499.db2.gz IBISEKGGTKJDIN-RYQLBKOJSA-N 1 0 332.444 1.762 20 70 EDIDRO CCC(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160569025 441897594 /nfs/dbraw/zinc/89/75/94/441897594.db2.gz GVNKJRJBKPQRDG-INIZCTEOSA-N 1 0 333.432 1.612 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000161201400 441971634 /nfs/dbraw/zinc/97/16/34/441971634.db2.gz KPWBBOFXHGYXNV-SWLSCSKDSA-N 1 0 339.386 1.743 20 70 EDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000161253124 441977013 /nfs/dbraw/zinc/97/70/13/441977013.db2.gz AKKAQKPUZCHNBE-HOTGVXAUSA-N 1 0 345.443 1.185 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000160912504 441935554 /nfs/dbraw/zinc/93/55/54/441935554.db2.gz GGFINCQROKTDGH-HNNXBMFYSA-N 1 0 348.447 1.892 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCOc2cccc(C(N)=O)c2)CC1 ZINC000161142685 441961698 /nfs/dbraw/zinc/96/16/98/441961698.db2.gz QEXYLQNSXZCUME-UHFFFAOYSA-N 1 0 333.432 1.403 20 70 EDIDRO CC(C)c1ncc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000161425112 441998543 /nfs/dbraw/zinc/99/85/43/441998543.db2.gz IQLFQVPBGVWNFD-GFCCVEGCSA-N 1 0 338.477 1.584 20 70 EDIDRO CC(C)[C@H](O)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161316830 441984241 /nfs/dbraw/zinc/98/42/41/441984241.db2.gz CVWQKPKIUGBOOZ-RHSMWYFYSA-N 1 0 334.464 1.923 20 70 EDIDRO C[C@H]([NH3+])C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000161330182 441986073 /nfs/dbraw/zinc/98/60/73/441986073.db2.gz MYMYZYCGJSXJEI-AWEZNQCLSA-N 1 0 329.444 1.763 20 70 EDIDRO O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000161488435 442004664 /nfs/dbraw/zinc/00/46/64/442004664.db2.gz PIRGNFLXLNMSGM-CYBMUJFWSA-N 1 0 340.807 1.260 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000161384309 486644366 /nfs/dbraw/zinc/64/43/66/486644366.db2.gz IGAQJDHCJXNGES-VXGBXAGGSA-N 1 0 330.837 1.500 20 70 EDIDRO Cc1c(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cnn1C ZINC000159889277 533855873 /nfs/dbraw/zinc/85/58/73/533855873.db2.gz MKBTTZCFNCACLC-UHFFFAOYSA-N 1 0 342.447 1.587 20 70 EDIDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000160006239 533896878 /nfs/dbraw/zinc/89/68/78/533896878.db2.gz NOEGXXVODMXFBM-GDBMZVCRSA-N 1 0 325.478 1.778 20 70 EDIDRO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159834092 534232306 /nfs/dbraw/zinc/23/23/06/534232306.db2.gz MFDYWRRJQHRFDN-CYBMUJFWSA-N 1 0 334.416 1.714 20 70 EDIDRO Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160326657 534696013 /nfs/dbraw/zinc/69/60/13/534696013.db2.gz DXQYPNZHHFWDEQ-SNVBAGLBSA-N 1 0 334.247 1.909 20 70 EDIDRO CC(=O)N1CCc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000160280158 526670007 /nfs/dbraw/zinc/67/00/07/526670007.db2.gz ZLCZKHJTKKFMBQ-QGZVFWFLSA-N 1 0 345.443 1.172 20 70 EDIDRO CC(C)(C)C(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160347200 527582021 /nfs/dbraw/zinc/58/20/21/527582021.db2.gz CQKIEZDWYOSQAJ-CABCVRRESA-N 1 0 339.480 1.033 20 70 EDIDRO Cc1cccn2c(=O)cc(CN3CCN(c4cc[nH+]cc4)CC3)nc12 ZINC000161396346 540033921 /nfs/dbraw/zinc/03/39/21/540033921.db2.gz WMFPQRNEUUUBBI-UHFFFAOYSA-N 1 0 335.411 1.720 20 70 EDIDRO C[C@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000159537315 138637299 /nfs/dbraw/zinc/63/72/99/138637299.db2.gz ALTXOYAFRXDYOY-HKUYNNGSSA-N 1 0 345.487 1.878 20 70 EDIDRO COC(=O)[C@H](c1cccnc1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000160078968 284307797 /nfs/dbraw/zinc/30/77/97/284307797.db2.gz DQSLQKNIZNOZPN-ROUUACIJSA-N 1 0 346.475 1.398 20 70 EDIDRO COC1(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC[NH2+]CC1 ZINC000161320016 284676609 /nfs/dbraw/zinc/67/66/09/284676609.db2.gz FYMRHTMAMKAGHT-INIZCTEOSA-N 1 0 345.443 1.375 20 70 EDIDRO CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160208405 533609396 /nfs/dbraw/zinc/60/93/96/533609396.db2.gz VSHVHNKTBHKCQG-HUUCEWRRSA-N 1 0 335.473 1.406 20 70 EDIDRO C[C@H](CNC(=O)N1CCc2cccc(F)c2C1)C[NH+]1CCN(C)CC1 ZINC000159745797 225270304 /nfs/dbraw/zinc/27/03/04/225270304.db2.gz QAZZMBUXFYZZBK-OAHLLOKOSA-N 1 0 348.466 1.777 20 70 EDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000159998761 225316316 /nfs/dbraw/zinc/31/63/16/225316316.db2.gz JILCMIBVMIFNHQ-UBDQQSCGSA-N 1 0 331.460 1.967 20 70 EDIDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2[nH]cnc21 ZINC000159608196 225248372 /nfs/dbraw/zinc/24/83/72/225248372.db2.gz SUEBTMOPQVJGNZ-ZDUSSCGKSA-N 1 0 328.416 1.794 20 70 EDIDRO O=C(C[C@H]1CSCCS1)N1CC[NH+](C2CCOCC2)CC1 ZINC000160251180 225371465 /nfs/dbraw/zinc/37/14/65/225371465.db2.gz HJQJIIBAWKKCSM-AWEZNQCLSA-N 1 0 330.519 1.548 20 70 EDIDRO O=C(NCCCC[NH+]1CCOCC1)N1CCCN(CC(F)F)CC1 ZINC000160356219 225396159 /nfs/dbraw/zinc/39/61/59/225396159.db2.gz DGTOYYBGMWLGSN-UHFFFAOYSA-N 1 0 348.438 1.081 20 70 EDIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000160115108 225342141 /nfs/dbraw/zinc/34/21/41/225342141.db2.gz UGLNGHRBEPDCAY-NSHDSACASA-N 1 0 341.408 1.347 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000161299919 277276763 /nfs/dbraw/zinc/27/67/63/277276763.db2.gz FNMHGINIYJNYMU-KBPBESRZSA-N 1 0 331.416 1.401 20 70 EDIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160252855 280706832 /nfs/dbraw/zinc/70/68/32/280706832.db2.gz QGCOXGOYLKSAAR-IAOVAPTHSA-N 1 0 329.444 1.546 20 70 EDIDRO C[C@H](C(=O)NC(C)(C)CCS(C)(=O)=O)[C@H]([NH3+])c1ccccc1 ZINC000161035208 289338464 /nfs/dbraw/zinc/33/84/64/289338464.db2.gz JSBXIQYDEDBYDO-JSGCOSHPSA-N 1 0 326.462 1.652 20 70 EDIDRO COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160182867 295186754 /nfs/dbraw/zinc/18/67/54/295186754.db2.gz UYIWCHDMGMYMGI-OLZOCXBDSA-N 1 0 340.445 1.055 20 70 EDIDRO CC(C)[NH2+]CCC(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000160029743 302919948 /nfs/dbraw/zinc/91/99/48/302919948.db2.gz ZWKIFYFWMLLWSU-UHFFFAOYSA-N 1 0 339.461 1.214 20 70 EDIDRO CN(C)c1ccccc1C[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159373743 441808002 /nfs/dbraw/zinc/80/80/02/441808002.db2.gz YGZFWRJTLZDRMP-GOSISDBHSA-N 1 0 330.476 1.667 20 70 EDIDRO Cc1ccccc1NC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159407407 441809562 /nfs/dbraw/zinc/80/95/62/441809562.db2.gz HHJJZSMKIPOFBC-KRWDZBQOSA-N 1 0 344.459 1.348 20 70 EDIDRO CN1CC[NH+](CCCCNC(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000160069407 441857719 /nfs/dbraw/zinc/85/77/19/441857719.db2.gz XCYMVZXDUWXKLB-UHFFFAOYSA-N 1 0 338.496 1.369 20 70 EDIDRO O=C(CCc1cccc(F)c1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160323156 441872688 /nfs/dbraw/zinc/87/26/88/441872688.db2.gz REUPOSMXJSOESB-CQSZACIVSA-N 1 0 326.387 1.860 20 70 EDIDRO CC[NH+]1CCC(NC(=O)C[N@H+](CCc2nccs2)C(C)C)CC1 ZINC000159872798 441844348 /nfs/dbraw/zinc/84/43/48/441844348.db2.gz PDTFLYCBPNIFCU-UHFFFAOYSA-N 1 0 338.521 1.997 20 70 EDIDRO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000159943191 441850026 /nfs/dbraw/zinc/85/00/26/441850026.db2.gz KHXKNYHIULZINS-APWZRJJASA-N 1 0 345.487 1.396 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000160662728 441907047 /nfs/dbraw/zinc/90/70/47/441907047.db2.gz ZDJHGDIUGOMLLO-AWEZNQCLSA-N 1 0 338.452 1.967 20 70 EDIDRO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2=O ZINC000160704794 441911614 /nfs/dbraw/zinc/91/16/14/441911614.db2.gz WIRSEOIMMKUJHC-MELADBBJSA-N 1 0 341.411 1.332 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)CC1 ZINC000160388017 441876652 /nfs/dbraw/zinc/87/66/52/441876652.db2.gz VHEWDNNSTHSEFV-UHFFFAOYSA-N 1 0 349.479 1.522 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000160405570 441878155 /nfs/dbraw/zinc/87/81/55/441878155.db2.gz AUHNFVONEZTSFC-HNNXBMFYSA-N 1 0 345.443 1.745 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000160519636 441891450 /nfs/dbraw/zinc/89/14/50/441891450.db2.gz HHYRXYFTLMHXDL-FUHWJXTLSA-N 1 0 343.471 1.976 20 70 EDIDRO COc1ccccc1-c1nnc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000160535439 441893993 /nfs/dbraw/zinc/89/39/93/441893993.db2.gz QEKLLLSEMSGZTM-RYUDHWBXSA-N 1 0 330.388 1.831 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554971 441896122 /nfs/dbraw/zinc/89/61/22/441896122.db2.gz NVSSKMCVBXBCDK-SMDDNHRTSA-N 1 0 349.460 1.160 20 70 EDIDRO COc1cc(C)ccc1OCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160552607 441896776 /nfs/dbraw/zinc/89/67/76/441896776.db2.gz CIQAMLZCVZYTHA-OAHLLOKOSA-N 1 0 336.432 1.345 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000161086013 441955315 /nfs/dbraw/zinc/95/53/15/441955315.db2.gz RMYCYBARWRVAME-RYUDHWBXSA-N 1 0 339.461 1.559 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000161369073 441991353 /nfs/dbraw/zinc/99/13/53/441991353.db2.gz DZHIWLAJYRVLDX-DZGCQCFKSA-N 1 0 331.416 1.259 20 70 EDIDRO NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161429215 441999893 /nfs/dbraw/zinc/99/98/93/441999893.db2.gz NYTXHOQFLKXVGQ-GOEBONIOSA-N 1 0 325.416 1.630 20 70 EDIDRO CN(C)C[C@H](Cc1ccccc1)NC(=O)CS(=O)(=O)C(C)(C)C ZINC000161496597 442005392 /nfs/dbraw/zinc/00/53/92/442005392.db2.gz ADKGEDUVVOTKOY-HNNXBMFYSA-N 1 0 340.489 1.489 20 70 EDIDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000160822559 486638690 /nfs/dbraw/zinc/63/86/90/486638690.db2.gz PUEFGAGROQKTAB-SWLSCSKDSA-N 1 0 326.462 1.721 20 70 EDIDRO CCOc1ccccc1C(=O)NCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161120634 486642296 /nfs/dbraw/zinc/64/22/96/486642296.db2.gz VNPRBMAHEKDOQD-CABCVRRESA-N 1 0 347.459 1.981 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](C)[C@H](C)c2sc(C)nc2C)nn1 ZINC000160062149 533787762 /nfs/dbraw/zinc/78/77/62/533787762.db2.gz SXIKKMQOBWWGNZ-LLVKDONJSA-N 1 0 337.449 1.760 20 70 EDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000160383315 533797364 /nfs/dbraw/zinc/79/73/64/533797364.db2.gz QGKAPMPLKAQZSO-UHFFFAOYSA-N 1 0 326.828 1.686 20 70 EDIDRO C[C@@H](CNC(=O)Cc1csc(-c2ccoc2)n1)N1CC[NH+](C)CC1 ZINC000160155981 533906267 /nfs/dbraw/zinc/90/62/67/533906267.db2.gz UXCIQPHBEVORBY-ZDUSSCGKSA-N 1 0 348.472 1.698 20 70 EDIDRO CC(C)([NH3+])CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000159939865 527254533 /nfs/dbraw/zinc/25/45/33/527254533.db2.gz WZMXEPIPWYTOMC-UHFFFAOYSA-N 1 0 329.194 1.687 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn(C(C)C)c1 ZINC000160276894 527982110 /nfs/dbraw/zinc/98/21/10/527982110.db2.gz SWWRJEABJZKPHR-CQSZACIVSA-N 1 0 328.482 1.863 20 70 EDIDRO CC1(C(=O)NCc2nccc(N)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000159448095 528857579 /nfs/dbraw/zinc/85/75/79/528857579.db2.gz IZUUTVGGRDVHFF-UHFFFAOYSA-N 1 0 339.443 1.977 20 70 EDIDRO O=C(CNC(=O)NC1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159857971 138638620 /nfs/dbraw/zinc/63/86/20/138638620.db2.gz OLRJPUMMWZUMSF-UHFFFAOYSA-N 1 0 336.480 1.609 20 70 EDIDRO CO[C@@]1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CCOC1 ZINC000160292456 533034281 /nfs/dbraw/zinc/03/42/81/533034281.db2.gz SAPMTHCNHRMXFV-UONOGXRCSA-N 1 0 330.222 1.878 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000160795789 533037430 /nfs/dbraw/zinc/03/74/30/533037430.db2.gz AAJKDAHLCNRFFY-JTQLQIEISA-N 1 0 336.335 1.414 20 70 EDIDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000159397387 533402029 /nfs/dbraw/zinc/40/20/29/533402029.db2.gz DXHYXTRJRDBPFY-CQSZACIVSA-N 1 0 340.445 1.709 20 70 EDIDRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nc[nH]n1 ZINC000160011001 225319442 /nfs/dbraw/zinc/31/94/42/225319442.db2.gz LRLKRHBPBPZSLY-YDHLFZDLSA-N 1 0 328.420 1.685 20 70 EDIDRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160111488 225340600 /nfs/dbraw/zinc/34/06/00/225340600.db2.gz ZUAZFHCNEMZVLG-AWEZNQCLSA-N 1 0 327.450 1.930 20 70 EDIDRO Cc1sc2ncn(CC(=O)NCC3([NH3+])CCCCC3)c(=O)c2c1C ZINC000159700925 267495071 /nfs/dbraw/zinc/49/50/71/267495071.db2.gz SPVULDBUXMRREX-UHFFFAOYSA-N 1 0 348.472 1.853 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)C1 ZINC000160531395 267503583 /nfs/dbraw/zinc/50/35/83/267503583.db2.gz YCHFFUBZOPZMBW-RISCZKNCSA-N 1 0 325.359 1.352 20 70 EDIDRO COC(=O)C1([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000159497824 277049928 /nfs/dbraw/zinc/04/99/28/277049928.db2.gz FKMYIVUXDDDQIC-CYBMUJFWSA-N 1 0 332.466 1.076 20 70 EDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000160098008 441858467 /nfs/dbraw/zinc/85/84/67/441858467.db2.gz VIZKKEUJTABXKB-MRXNPFEDSA-N 1 0 342.447 1.953 20 70 EDIDRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H](O)C(F)(F)F ZINC000160258661 441868589 /nfs/dbraw/zinc/86/85/89/441868589.db2.gz IGEVAMCSZPOWKQ-KBPBESRZSA-N 1 0 347.381 1.261 20 70 EDIDRO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159648819 441827881 /nfs/dbraw/zinc/82/78/81/441827881.db2.gz LSEMQWWROLJVFN-BPUTZDHNSA-N 1 0 340.464 1.269 20 70 EDIDRO CCC(CC)(C[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)C(=O)OC ZINC000159672701 441828581 /nfs/dbraw/zinc/82/85/81/441828581.db2.gz KKSHBNOPCXPQIN-CABCVRRESA-N 1 0 340.464 1.725 20 70 EDIDRO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000159906272 441845838 /nfs/dbraw/zinc/84/58/38/441845838.db2.gz DVGUTCFFPNTWTE-HNNXBMFYSA-N 1 0 339.461 1.125 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ncoc1-c1ccccc1 ZINC000159907193 441846060 /nfs/dbraw/zinc/84/60/60/441846060.db2.gz AHMGJRICOMWBBF-HNNXBMFYSA-N 1 0 329.400 1.918 20 70 EDIDRO CO[C@H]1CCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000160021457 441854669 /nfs/dbraw/zinc/85/46/69/441854669.db2.gz HTQKEKAXBWDDGA-SJORKVTESA-N 1 0 332.448 1.913 20 70 EDIDRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160737378 441915293 /nfs/dbraw/zinc/91/52/93/441915293.db2.gz JUMGTHUDQFCPMH-HOCLYGCPSA-N 1 0 333.436 1.668 20 70 EDIDRO CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160803299 441923314 /nfs/dbraw/zinc/92/33/14/441923314.db2.gz ZUSYTVMNQIANID-ZBFHGGJFSA-N 1 0 327.469 1.336 20 70 EDIDRO C[NH+]1CCN(CCNC(=O)CCCOc2ccc3c(c2)CCC3)CC1 ZINC000160389238 441876777 /nfs/dbraw/zinc/87/67/77/441876777.db2.gz WTMBHTLGPMZJCX-UHFFFAOYSA-N 1 0 345.487 1.698 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)n1 ZINC000160430141 441881844 /nfs/dbraw/zinc/88/18/44/441881844.db2.gz DAYFKFRTZNMKPC-ZDUSSCGKSA-N 1 0 335.452 1.467 20 70 EDIDRO Cn1cc(N2CCC[C@H](N3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160483271 441888924 /nfs/dbraw/zinc/88/89/24/441888924.db2.gz SYUGWJINXBFNPS-SFHVURJKSA-N 1 0 345.491 1.723 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160521026 441892446 /nfs/dbraw/zinc/89/24/46/441892446.db2.gz IBBIQXINKACXLJ-LBPRGKRZSA-N 1 0 334.420 1.617 20 70 EDIDRO COC1(C(=O)NCCc2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000161205727 441972011 /nfs/dbraw/zinc/97/20/11/441972011.db2.gz QEFJHFIQKSLFMZ-UHFFFAOYSA-N 1 0 337.367 1.589 20 70 EDIDRO CN(CC[NH+]1CCCC1)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160871296 441930188 /nfs/dbraw/zinc/93/01/88/441930188.db2.gz UYEDLWKPIOETSO-UHFFFAOYSA-N 1 0 333.358 1.676 20 70 EDIDRO Cc1[nH]c(=O)ccc1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000161112867 441959470 /nfs/dbraw/zinc/95/94/70/441959470.db2.gz UJIGWBBWEDZTTN-UHFFFAOYSA-N 1 0 340.427 1.928 20 70 EDIDRO CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000161371066 441991302 /nfs/dbraw/zinc/99/13/02/441991302.db2.gz CFKOEVRFCFTNOS-YQQAZPJKSA-N 1 0 339.480 1.290 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161402177 441996482 /nfs/dbraw/zinc/99/64/82/441996482.db2.gz FZJNTKYDZMQSDV-YDHLFZDLSA-N 1 0 325.478 1.728 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000161504128 442005575 /nfs/dbraw/zinc/00/55/75/442005575.db2.gz JLJAWTVFNCVOSS-LSDHHAIUSA-N 1 0 348.495 1.700 20 70 EDIDRO O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000161488574 442004292 /nfs/dbraw/zinc/00/42/92/442004292.db2.gz PIRGNFLXLNMSGM-ZDUSSCGKSA-N 1 0 340.807 1.260 20 70 EDIDRO CS(=O)(=O)c1ccc(OCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161073533 486642361 /nfs/dbraw/zinc/64/23/61/486642361.db2.gz VVODQUMUMPPWOM-CHWSQXEVSA-N 1 0 340.445 1.245 20 70 EDIDRO C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160123117 533919718 /nfs/dbraw/zinc/91/97/18/533919718.db2.gz MGELAOBICGCLPB-PBHICJAKSA-N 1 0 344.459 1.556 20 70 EDIDRO CC(=O)NC1CCC([NH2+]CCCS(=O)(=O)c2ccccc2)CC1 ZINC000161386038 526700094 /nfs/dbraw/zinc/70/00/94/526700094.db2.gz XLVCKDDBHOKZPO-UHFFFAOYSA-N 1 0 338.473 1.887 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000159473477 528023240 /nfs/dbraw/zinc/02/32/40/528023240.db2.gz WEGSDNDNBPISJX-CQSZACIVSA-N 1 0 347.463 1.180 20 70 EDIDRO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159711150 528271799 /nfs/dbraw/zinc/27/17/99/528271799.db2.gz RFWHCFVFOIQEGT-HOCLYGCPSA-N 1 0 333.432 1.468 20 70 EDIDRO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000159682715 528492791 /nfs/dbraw/zinc/49/27/91/528492791.db2.gz HABBZRIVLFHAFO-GOSISDBHSA-N 1 0 345.487 1.734 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC([NH2+]C(C)C)CC2)c1CC ZINC000160327677 529696116 /nfs/dbraw/zinc/69/61/16/529696116.db2.gz XULTXRUMPITYAC-UHFFFAOYSA-N 1 0 349.479 1.567 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160164284 540020770 /nfs/dbraw/zinc/02/07/70/540020770.db2.gz XUSNVBKGMNIKQR-UHFFFAOYSA-N 1 0 343.387 1.228 20 70 EDIDRO COC1CC[NH+](CCNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160320795 540022451 /nfs/dbraw/zinc/02/24/51/540022451.db2.gz ADWJSWWDDDKLDD-HOCLYGCPSA-N 1 0 325.453 1.354 20 70 EDIDRO CC1(C)CN(C(=O)c2cccn2C2CC[NH2+]CC2)CCS1(=O)=O ZINC000161481197 138643457 /nfs/dbraw/zinc/64/34/57/138643457.db2.gz HYZDZZHWBAIDKL-UHFFFAOYSA-N 1 0 339.461 1.062 20 70 EDIDRO COc1ccc(OC)c2c1CN(C(=O)[C@]1(C)CCC[NH2+]C1)C[C@H]2O ZINC000161314723 532996877 /nfs/dbraw/zinc/99/68/77/532996877.db2.gz UHFRDYCGMQJZDO-FZKQIMNGSA-N 1 0 334.416 1.469 20 70 EDIDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Br)s1 ZINC000159968574 533393754 /nfs/dbraw/zinc/39/37/54/533393754.db2.gz KWNVLEUWGHJXKV-SSDOTTSWSA-N 1 0 332.223 1.713 20 70 EDIDRO COC(=O)CCCOc1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000160162130 533394335 /nfs/dbraw/zinc/39/43/35/533394335.db2.gz RYZIDRCURYWQRC-MRXNPFEDSA-N 1 0 334.416 1.777 20 70 EDIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000159763568 225274109 /nfs/dbraw/zinc/27/41/09/225274109.db2.gz HMDPNAKJEQZTJM-UHFFFAOYSA-N 1 0 343.435 1.904 20 70 EDIDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCNC(=O)C1 ZINC000159557129 225239833 /nfs/dbraw/zinc/23/98/33/225239833.db2.gz HZALZYFRPNARJD-AWEZNQCLSA-N 1 0 349.862 1.947 20 70 EDIDRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000159615257 225248160 /nfs/dbraw/zinc/24/81/60/225248160.db2.gz LYJBLKNHZGHHTR-ZBFHGGJFSA-N 1 0 345.443 1.923 20 70 EDIDRO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000159605262 225249078 /nfs/dbraw/zinc/24/90/78/225249078.db2.gz AXHITWNGCOLFIQ-QWHCGFSZSA-N 1 0 337.855 1.659 20 70 EDIDRO O=C(Cc1ccc(F)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160253361 225370710 /nfs/dbraw/zinc/37/07/10/225370710.db2.gz ZFSOZMZVPSTKGG-CQSZACIVSA-N 1 0 328.815 1.985 20 70 EDIDRO CN1C[C@@H]([NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)CCC1=O ZINC000161206713 290278637 /nfs/dbraw/zinc/27/86/37/290278637.db2.gz LAXZTWQLFCZEDS-FUHWJXTLSA-N 1 0 329.444 1.951 20 70 EDIDRO O=C(NCCOC[C@H]1CCCO1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160129110 302920426 /nfs/dbraw/zinc/92/04/26/302920426.db2.gz CNWUDTUNHOUCQY-IAGOWNOFSA-N 1 0 339.480 1.842 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000160211030 441864840 /nfs/dbraw/zinc/86/48/40/441864840.db2.gz CMPAMNSVKOMTLF-HNNXBMFYSA-N 1 0 346.406 1.588 20 70 EDIDRO O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159584280 441822439 /nfs/dbraw/zinc/82/24/39/441822439.db2.gz PVHXYXWOUQELRE-IYBDPMFKSA-N 1 0 338.411 1.258 20 70 EDIDRO CCC(CC)(CNC(=O)NC[C@H](C)C[NH+]1CCCC1)C(=O)OC ZINC000159665483 441829355 /nfs/dbraw/zinc/82/93/55/441829355.db2.gz LWTIJTGUDSQJON-AWEZNQCLSA-N 1 0 327.469 1.997 20 70 EDIDRO O=C(CC[C@H]1Cc2ccccc2NC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159776076 441836869 /nfs/dbraw/zinc/83/68/69/441836869.db2.gz OJCFOKSKEQKCRA-HRCADAONSA-N 1 0 327.428 1.931 20 70 EDIDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000159943419 441848968 /nfs/dbraw/zinc/84/89/68/441848968.db2.gz KHXKNYHIULZINS-VQIMIIECSA-N 1 0 345.487 1.396 20 70 EDIDRO O=C(/C=C/c1cnc2ccccc2n1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160606587 441901038 /nfs/dbraw/zinc/90/10/38/441901038.db2.gz LEDCPHMDKSIVHL-ROJDOSBLSA-N 1 0 340.427 1.606 20 70 EDIDRO CCOC(=O)C[C@H](C)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000160707466 441911515 /nfs/dbraw/zinc/91/15/15/441911515.db2.gz SAPKRZYIENALAH-HNNXBMFYSA-N 1 0 347.459 1.900 20 70 EDIDRO Cc1cccc(C[NH+]2CCC(NC(=O)C3(NC(N)=O)CC3)CC2)c1 ZINC000160707432 441911736 /nfs/dbraw/zinc/91/17/36/441911736.db2.gz WPOJIFWRZZAFRI-UHFFFAOYSA-N 1 0 330.432 1.277 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160740530 441915671 /nfs/dbraw/zinc/91/56/71/441915671.db2.gz JAZBHJXHOCZQOY-CYBMUJFWSA-N 1 0 334.420 1.428 20 70 EDIDRO CCNC(=O)N1CCc2ccc(NC(=O)C3(OC)CC[NH2+]CC3)cc21 ZINC000160774466 441919544 /nfs/dbraw/zinc/91/95/44/441919544.db2.gz UJVYGCIDNCZGLJ-UHFFFAOYSA-N 1 0 346.431 1.486 20 70 EDIDRO COc1ccc(C(F)(F)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160429320 441881361 /nfs/dbraw/zinc/88/13/61/441881361.db2.gz IZVNCLOKVOHLPS-CQSZACIVSA-N 1 0 342.386 1.750 20 70 EDIDRO Cc1cc(Br)oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160519839 441891762 /nfs/dbraw/zinc/89/17/62/441891762.db2.gz IQUSELDZQBKSIU-LLVKDONJSA-N 1 0 345.237 1.927 20 70 EDIDRO COc1ccccc1-c1nnc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)o1 ZINC000160535577 441894200 /nfs/dbraw/zinc/89/42/00/441894200.db2.gz QEKLLLSEMSGZTM-VXGBXAGGSA-N 1 0 330.388 1.831 20 70 EDIDRO COC[C@@H](O)CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000161189639 441970035 /nfs/dbraw/zinc/97/00/35/441970035.db2.gz PQXXJQQKWGFWLY-INIZCTEOSA-N 1 0 338.473 1.363 20 70 EDIDRO Cc1ccc(C(=O)CC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000161202497 441970827 /nfs/dbraw/zinc/97/08/27/441970827.db2.gz PCEXZYBHPBIHKO-UHFFFAOYSA-N 1 0 329.400 1.584 20 70 EDIDRO NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)O1 ZINC000161197036 441971104 /nfs/dbraw/zinc/97/11/04/441971104.db2.gz XUMPFHORIVYABT-CVEARBPZSA-N 1 0 331.416 1.045 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000161199301 441971521 /nfs/dbraw/zinc/97/15/21/441971521.db2.gz FUDANBBRMZPKRK-UHFFFAOYSA-N 1 0 326.462 1.613 20 70 EDIDRO Cn1cc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)n1 ZINC000160889990 441932136 /nfs/dbraw/zinc/93/21/36/441932136.db2.gz MUUZTUOIXXDCKI-LBPRGKRZSA-N 1 0 343.353 1.595 20 70 EDIDRO CCO[C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCC2 ZINC000160990851 441944102 /nfs/dbraw/zinc/94/41/02/441944102.db2.gz XOYKBCMSHNDMJX-GJZGRUSLSA-N 1 0 333.436 1.280 20 70 EDIDRO Cc1c(/C=C/C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000161120029 441959263 /nfs/dbraw/zinc/95/92/63/441959263.db2.gz SPQSAHQGTZVFLY-HMDSZLRPSA-N 1 0 346.475 1.842 20 70 EDIDRO COC1(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000161137534 441962710 /nfs/dbraw/zinc/96/27/10/441962710.db2.gz NQLBVBCBFCSVPO-GFCCVEGCSA-N 1 0 326.824 1.992 20 70 EDIDRO COC(=O)Cn1cc(CC[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)nn1 ZINC000161167146 441966517 /nfs/dbraw/zinc/96/65/17/441966517.db2.gz NJPJAGXHNNLYBA-ZBFHGGJFSA-N 1 0 328.416 1.872 20 70 EDIDRO C[C@@]1(c2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)NC(=O)NC1=O ZINC000161413361 441996287 /nfs/dbraw/zinc/99/62/87/441996287.db2.gz FGWINQZYNQYZAX-IRXDYDNUSA-N 1 0 330.388 1.069 20 70 EDIDRO [NH3+]Cc1ccc(C(=O)NCCCN2C(=O)COc3ccccc32)o1 ZINC000160671848 486637750 /nfs/dbraw/zinc/63/77/50/486637750.db2.gz BMCJFSCCYNZLIG-UHFFFAOYSA-N 1 0 329.356 1.284 20 70 EDIDRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC(C)(CO)CO ZINC000159584617 533868957 /nfs/dbraw/zinc/86/89/57/533868957.db2.gz IWWDQNVZAYGNNM-UHFFFAOYSA-N 1 0 344.839 1.600 20 70 EDIDRO COc1cc(F)c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1OC ZINC000160162814 533986807 /nfs/dbraw/zinc/98/68/07/533986807.db2.gz KTTAMZVZQNKGHY-HNNXBMFYSA-N 1 0 348.440 1.885 20 70 EDIDRO C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CN1CCOCC1 ZINC000160218960 533986626 /nfs/dbraw/zinc/98/66/26/533986626.db2.gz FMSRWOPNLWPZED-JKSUJKDBSA-N 1 0 342.528 1.620 20 70 EDIDRO C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159478612 534164862 /nfs/dbraw/zinc/16/48/62/534164862.db2.gz PTQRJBWEUXTIRX-BBRMVZONSA-N 1 0 330.432 1.777 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000159996764 534537508 /nfs/dbraw/zinc/53/75/08/534537508.db2.gz FKCLTAHVHBNKQS-GOSISDBHSA-N 1 0 342.443 1.508 20 70 EDIDRO O=C(COc1ccc(F)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159979399 534622773 /nfs/dbraw/zinc/62/27/73/534622773.db2.gz SHMKFNKQUVARHZ-CYBMUJFWSA-N 1 0 344.814 1.821 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000161457116 526699185 /nfs/dbraw/zinc/69/91/85/526699185.db2.gz ZEMUBBLOCAQOGH-RUXDESIVSA-N 1 0 342.386 1.741 20 70 EDIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000160067911 528231326 /nfs/dbraw/zinc/23/13/26/528231326.db2.gz FJQUSXWMAXGHJU-LBPRGKRZSA-N 1 0 336.411 1.815 20 70 EDIDRO CNC(=O)COc1cccc(CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000161073831 529866495 /nfs/dbraw/zinc/86/64/95/529866495.db2.gz MRWBPNZTPKCEOM-UHFFFAOYSA-N 1 0 347.459 1.343 20 70 EDIDRO COC(=O)[C@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000160217380 533386302 /nfs/dbraw/zinc/38/63/02/533386302.db2.gz WIRLVOKMSYATEV-UONOGXRCSA-N 1 0 327.469 1.947 20 70 EDIDRO Cc1ccc(C(=O)CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160004352 225317965 /nfs/dbraw/zinc/31/79/65/225317965.db2.gz HYAODKMINJUNPS-QGZVFWFLSA-N 1 0 332.444 1.921 20 70 EDIDRO O=C(Cc1ccccc1OC(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160008437 225318270 /nfs/dbraw/zinc/31/82/70/225318270.db2.gz ISLXQXQLPXKNOW-CQSZACIVSA-N 1 0 342.386 1.794 20 70 EDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCO2 ZINC000160340606 225391258 /nfs/dbraw/zinc/39/12/58/225391258.db2.gz GHTIWHXERKEINC-JKSUJKDBSA-N 1 0 346.427 1.913 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000161335284 272930688 /nfs/dbraw/zinc/93/06/88/272930688.db2.gz XBJFOCYBHMFOIK-GFCCVEGCSA-N 1 0 334.445 1.285 20 70 EDIDRO C[N@@H+](CC(=O)NCCCOc1ccccc1F)C[C@H]1CCC[C@@H]1O ZINC000159480157 441817184 /nfs/dbraw/zinc/81/71/84/441817184.db2.gz ZEDIZZGYUVQAHW-ZBFHGGJFSA-N 1 0 338.423 1.804 20 70 EDIDRO [NH3+]CCCNC(=O)[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000160166340 441862578 /nfs/dbraw/zinc/86/25/78/441862578.db2.gz WWKHYIFPYFKVTK-LBPRGKRZSA-N 1 0 330.215 1.811 20 70 EDIDRO COCCc1noc(CN(C)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000160275076 441869695 /nfs/dbraw/zinc/86/96/95/441869695.db2.gz ITNFSFOGUHJMNS-ZDUSSCGKSA-N 1 0 339.440 1.132 20 70 EDIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160264994 441870130 /nfs/dbraw/zinc/87/01/30/441870130.db2.gz QEQFBFSAIHWBPD-BXUZGUMPSA-N 1 0 332.491 1.823 20 70 EDIDRO CSC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160302551 441870636 /nfs/dbraw/zinc/87/06/36/441870636.db2.gz YYKGNODLMIQHJH-NJAFHUGGSA-N 1 0 338.517 1.980 20 70 EDIDRO [NH3+]C1(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCCCC1 ZINC000159622849 441824557 /nfs/dbraw/zinc/82/45/57/441824557.db2.gz MZDFJZAFZUYJDC-UHFFFAOYSA-N 1 0 336.480 1.692 20 70 EDIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ncccc2F)CC1 ZINC000159680247 441829096 /nfs/dbraw/zinc/82/90/96/441829096.db2.gz WNNPOOYFCNLTDJ-AWEZNQCLSA-N 1 0 337.443 1.294 20 70 EDIDRO C[C@]1(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000159682953 441830167 /nfs/dbraw/zinc/83/01/67/441830167.db2.gz QYEMYWMCFKPODY-IBGZPJMESA-N 1 0 329.444 1.655 20 70 EDIDRO C[N@H+](CC(=O)N1CCCN(CC(F)(F)F)CC1)[C@@H]1CCSC1 ZINC000159949613 441848706 /nfs/dbraw/zinc/84/87/06/441848706.db2.gz NCNGABIXMTVYDY-GFCCVEGCSA-N 1 0 339.427 1.520 20 70 EDIDRO Cc1nc(CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000159954840 441849910 /nfs/dbraw/zinc/84/99/10/441849910.db2.gz NPRLYRLYUMJXRI-HNNXBMFYSA-N 1 0 325.478 1.737 20 70 EDIDRO C[C@@H]([NH2+]CC(C)(C)O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000160598890 441900964 /nfs/dbraw/zinc/90/09/64/441900964.db2.gz SDCDATMLDOHPHE-CYBMUJFWSA-N 1 0 342.461 1.129 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160690554 441909560 /nfs/dbraw/zinc/90/95/60/441909560.db2.gz CZVNMWCXGZASAS-DOTOQJQBSA-N 1 0 349.406 1.282 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)C1 ZINC000160739901 441916039 /nfs/dbraw/zinc/91/60/39/441916039.db2.gz YGRRYRNTKFMQHN-FZMZJTMJSA-N 1 0 339.436 1.706 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000160382445 441875340 /nfs/dbraw/zinc/87/53/40/441875340.db2.gz OZQAFTNIUGWFKP-UHFFFAOYSA-N 1 0 346.387 1.178 20 70 EDIDRO CN1CC[NH+](CCCCNC(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000160434689 441881399 /nfs/dbraw/zinc/88/13/99/441881399.db2.gz HKAFUEWGQJERFF-UHFFFAOYSA-N 1 0 338.427 1.358 20 70 EDIDRO CCc1c(C(=O)N2CC[C@H]([NH2+]C)C2)nnn1-c1cccc(Cl)c1 ZINC000160502133 441890148 /nfs/dbraw/zinc/89/01/48/441890148.db2.gz QCWCZRJMWMAJSP-LBPRGKRZSA-N 1 0 333.823 1.917 20 70 EDIDRO CCN(C)C(=O)c1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160512209 441891155 /nfs/dbraw/zinc/89/11/55/441891155.db2.gz BKKLPHBDDUUKJL-QGZVFWFLSA-N 1 0 347.459 1.355 20 70 EDIDRO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160563346 441897157 /nfs/dbraw/zinc/89/71/57/441897157.db2.gz SZCTWVZECCZOJG-SCTDSRPQSA-N 1 0 343.471 1.723 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000161088248 441955184 /nfs/dbraw/zinc/95/51/84/441955184.db2.gz MVAMJMUOHYJXID-GXTWGEPZSA-N 1 0 334.420 1.427 20 70 EDIDRO Cc1c(/C=C/C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC000161120141 441959489 /nfs/dbraw/zinc/95/94/89/441959489.db2.gz SPQSAHQGTZVFLY-AAIZFQIRSA-N 1 0 346.475 1.842 20 70 EDIDRO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)Oc1ccccc1Br ZINC000161143830 441963042 /nfs/dbraw/zinc/96/30/42/441963042.db2.gz DXAXKVMFUZSQCX-GWCFXTLKSA-N 1 0 343.221 1.321 20 70 EDIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000161329405 441985900 /nfs/dbraw/zinc/98/59/00/441985900.db2.gz NMODVVSUPCXOJA-ZIAGYGMSSA-N 1 0 335.473 1.392 20 70 EDIDRO O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000161344129 441988882 /nfs/dbraw/zinc/98/88/82/441988882.db2.gz RKPYUWVUCTXMQE-JTQLQIEISA-N 1 0 341.408 1.205 20 70 EDIDRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000161466969 501052008 /nfs/dbraw/zinc/05/20/08/501052008.db2.gz RPJUTRQAKNWMCK-IBGZPJMESA-N 1 0 345.487 1.880 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](C)CCOc2ccc(F)cc2)nn1 ZINC000160327973 533786331 /nfs/dbraw/zinc/78/63/31/533786331.db2.gz IFEIZTSXKVSZBX-UHFFFAOYSA-N 1 0 336.367 1.144 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160201366 534754804 /nfs/dbraw/zinc/75/48/04/534754804.db2.gz WHICXQDHBROFIQ-BETUJISGSA-N 1 0 336.436 1.796 20 70 EDIDRO CC(C)([NH3+])CNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000160095384 527255095 /nfs/dbraw/zinc/25/50/95/527255095.db2.gz BTZIKZKZLUVNQC-UHFFFAOYSA-N 1 0 349.250 1.320 20 70 EDIDRO CCC(=O)N1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000159489083 528365390 /nfs/dbraw/zinc/36/53/90/528365390.db2.gz OPFVXDHKAVKVFK-IRXDYDNUSA-N 1 0 331.460 1.534 20 70 EDIDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000159878195 528441635 /nfs/dbraw/zinc/44/16/35/528441635.db2.gz ZKOJAPFQTQHTSL-GOEBONIOSA-N 1 0 347.463 1.154 20 70 EDIDRO CCC(CC)(CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(=O)OC ZINC000160007212 528681466 /nfs/dbraw/zinc/68/14/66/528681466.db2.gz XMVRVVAEDYVJPO-STQMWFEESA-N 1 0 325.453 1.890 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1CC ZINC000160357118 529696339 /nfs/dbraw/zinc/69/63/39/529696339.db2.gz BTKFRPCAPRUVBA-CHWSQXEVSA-N 1 0 349.479 1.519 20 70 EDIDRO C[C@H](c1nc(C(C)(C)C)no1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159426755 540009516 /nfs/dbraw/zinc/00/95/16/540009516.db2.gz AXQLMOSZLXVHIZ-TZMCWYRMSA-N 1 0 349.479 1.842 20 70 EDIDRO Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000159647689 540012032 /nfs/dbraw/zinc/01/20/32/540012032.db2.gz PBVXRUCZARKFJB-IUODEOHRSA-N 1 0 345.403 1.886 20 70 EDIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000159779408 540013809 /nfs/dbraw/zinc/01/38/09/540013809.db2.gz ZSBZVXNRDFSGCQ-XHSDSOJGSA-N 1 0 341.521 1.866 20 70 EDIDRO COc1ccnc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000160493528 540023524 /nfs/dbraw/zinc/02/35/24/540023524.db2.gz AKUSGSKLEZLFFY-SJORKVTESA-N 1 0 333.432 1.588 20 70 EDIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C1 ZINC000159788847 138638235 /nfs/dbraw/zinc/63/82/35/138638235.db2.gz CMZCTVXUMXNBBZ-LSDHHAIUSA-N 1 0 335.452 1.868 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000160539522 533031448 /nfs/dbraw/zinc/03/14/48/533031448.db2.gz QHWDKCAYBWNYBG-WFASDCNBSA-N 1 0 325.359 1.352 20 70 EDIDRO O=C(C[C@@H]1OCCc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160134663 225345689 /nfs/dbraw/zinc/34/56/89/225345689.db2.gz MBFUXWVFZAVLRG-WMZOPIPTSA-N 1 0 332.444 1.654 20 70 EDIDRO Cn1cc(N2CCC[C@H]([NH+]3CCC(C4OCCO4)CC3)C2=O)cn1 ZINC000160177838 225355115 /nfs/dbraw/zinc/35/51/15/225355115.db2.gz QHOIUJYLQOXIOR-HNNXBMFYSA-N 1 0 334.420 1.000 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000160662859 225448135 /nfs/dbraw/zinc/44/81/35/225448135.db2.gz ZDJHGDIUGOMLLO-CQSZACIVSA-N 1 0 338.452 1.967 20 70 EDIDRO CCc1nc(COc2ccc(C(=O)N3CC[C@H]([NH2+]C)C3)cc2)no1 ZINC000160586301 272930120 /nfs/dbraw/zinc/93/01/20/272930120.db2.gz ZWTAYXKWMTXPCJ-ZDUSSCGKSA-N 1 0 330.388 1.645 20 70 EDIDRO Cc1c2ccccc2oc(=O)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160434336 280271073 /nfs/dbraw/zinc/27/10/73/280271073.db2.gz BTZIPRMGAVPAJM-CQSZACIVSA-N 1 0 344.411 1.678 20 70 EDIDRO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159497289 441817090 /nfs/dbraw/zinc/81/70/90/441817090.db2.gz CTNCIZVFGZSZEB-KBMXLJTQSA-N 1 0 333.432 1.494 20 70 EDIDRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159544144 441820002 /nfs/dbraw/zinc/82/00/02/441820002.db2.gz NMCMOTUYDPMWHJ-SJORKVTESA-N 1 0 338.496 1.269 20 70 EDIDRO COc1ccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000159397714 441809177 /nfs/dbraw/zinc/80/91/77/441809177.db2.gz GSDWILXDHUFKQT-INIZCTEOSA-N 1 0 335.423 1.748 20 70 EDIDRO CCN(CCc1nccs1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159425734 441812311 /nfs/dbraw/zinc/81/23/11/441812311.db2.gz WBNWMHMWDCBTRY-UHFFFAOYSA-N 1 0 338.521 1.997 20 70 EDIDRO O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160368953 441874577 /nfs/dbraw/zinc/87/45/77/441874577.db2.gz CTRSQKUJEFYAPM-YESZJQIVSA-N 1 0 327.428 1.388 20 70 EDIDRO COc1ccc(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160153545 441862821 /nfs/dbraw/zinc/86/28/21/441862821.db2.gz KVUYOWNLJYXBCK-CYBMUJFWSA-N 1 0 326.824 1.925 20 70 EDIDRO Cc1nnc(-c2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2)o1 ZINC000160205947 441864869 /nfs/dbraw/zinc/86/48/69/441864869.db2.gz NCGMDXKSEVZREW-MRXNPFEDSA-N 1 0 344.415 1.622 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160196784 441865170 /nfs/dbraw/zinc/86/51/70/441865170.db2.gz XRXFEMKNCYHTPT-CABCVRRESA-N 1 0 325.453 1.844 20 70 EDIDRO O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160230200 441866482 /nfs/dbraw/zinc/86/64/82/441866482.db2.gz MSVXEAVBQBCBIE-CALCHBBNSA-N 1 0 327.428 1.931 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000160035411 441856104 /nfs/dbraw/zinc/85/61/04/441856104.db2.gz PPFXOPBLLKFJRD-KRWDZBQOSA-N 1 0 328.416 1.449 20 70 EDIDRO O=C(CCc1nc(-c2ccco2)no1)NCC1CC[NH+](CCO)CC1 ZINC000160641890 441904284 /nfs/dbraw/zinc/90/42/84/441904284.db2.gz GCQYNJCJFRZVRP-UHFFFAOYSA-N 1 0 348.403 1.083 20 70 EDIDRO COC[C@@](C)(CC(=O)OC)[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160665410 441906547 /nfs/dbraw/zinc/90/65/47/441906547.db2.gz DACVDPPSQGQXIZ-GOSISDBHSA-N 1 0 342.480 1.829 20 70 EDIDRO O=C(Nc1cnn(C[C@H]2CCCO2)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160737302 441915845 /nfs/dbraw/zinc/91/58/45/441915845.db2.gz JUMGTHUDQFCPMH-GDBMZVCRSA-N 1 0 333.436 1.668 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000160817029 441924471 /nfs/dbraw/zinc/92/44/71/441924471.db2.gz LGDVKAYGVQQAIW-UHFFFAOYSA-N 1 0 348.378 1.651 20 70 EDIDRO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000160389717 441876292 /nfs/dbraw/zinc/87/62/92/441876292.db2.gz FAFUBTXBGSNDDQ-SJLPKXTDSA-N 1 0 349.475 1.910 20 70 EDIDRO Cc1nc(-c2ccccc2)ncc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000160392805 441876973 /nfs/dbraw/zinc/87/69/73/441876973.db2.gz YGRLPIAVBQRSNW-UHFFFAOYSA-N 1 0 339.443 1.429 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 ZINC000160403315 441877608 /nfs/dbraw/zinc/87/76/08/441877608.db2.gz OYDNHHKPDGQBPD-UHFFFAOYSA-N 1 0 338.452 1.041 20 70 EDIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000160437820 441882918 /nfs/dbraw/zinc/88/29/18/441882918.db2.gz YTEQKNNKQIQOCZ-SJORKVTESA-N 1 0 340.512 1.518 20 70 EDIDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)CC1 ZINC000160518719 441891172 /nfs/dbraw/zinc/89/11/72/441891172.db2.gz MAESQRUQRKURBJ-UHFFFAOYSA-N 1 0 344.459 1.736 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)C1 ZINC000160531188 441892242 /nfs/dbraw/zinc/89/22/42/441892242.db2.gz YCHFFUBZOPZMBW-FZMZJTMJSA-N 1 0 325.359 1.352 20 70 EDIDRO COc1nc(C(=O)NCC2CC[NH+](CCO)CC2)cc2ccccc21 ZINC000160586480 441898608 /nfs/dbraw/zinc/89/86/08/441898608.db2.gz FVSOQNCGADEOKI-UHFFFAOYSA-N 1 0 343.427 1.678 20 70 EDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160882602 441930465 /nfs/dbraw/zinc/93/04/65/441930465.db2.gz SYNOGCRUAZMOHT-NSHDSACASA-N 1 0 348.373 1.203 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160964921 441941673 /nfs/dbraw/zinc/94/16/73/441941673.db2.gz CUOONAPCVHBZIZ-HUUCEWRRSA-N 1 0 326.462 1.704 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2C)CC1 ZINC000160999578 441945211 /nfs/dbraw/zinc/94/52/11/441945211.db2.gz PBIQAMPSXRDSGI-QGZVFWFLSA-N 1 0 346.475 1.943 20 70 EDIDRO COCCC1(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000161026300 441947446 /nfs/dbraw/zinc/94/74/46/441947446.db2.gz SCTPZNOPSDRKLD-HNNXBMFYSA-N 1 0 327.469 1.195 20 70 EDIDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1C ZINC000161415026 441997048 /nfs/dbraw/zinc/99/70/48/441997048.db2.gz AVNUROVJKQLNSB-UHFFFAOYSA-N 1 0 326.462 1.286 20 70 EDIDRO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccco1 ZINC000161472340 442002595 /nfs/dbraw/zinc/00/25/95/442002595.db2.gz YGUDBJDEBVQKGR-ZDUSSCGKSA-N 1 0 329.400 1.776 20 70 EDIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000161487612 442004007 /nfs/dbraw/zinc/00/40/07/442004007.db2.gz BQCMAHLXMFYKSV-CYBMUJFWSA-N 1 0 339.871 1.955 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000218194090 443058324 /nfs/dbraw/zinc/05/83/24/443058324.db2.gz VXCWPDQPIIWNKG-NSHDSACASA-N 1 0 335.231 1.801 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2cccc(NC(=O)C3CC3)c2)C1 ZINC000161504712 486644785 /nfs/dbraw/zinc/64/47/85/486644785.db2.gz ZMAINZCHRAQONM-KBPBESRZSA-N 1 0 331.416 1.800 20 70 EDIDRO CS[C@H]1CCC[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000159569939 534091861 /nfs/dbraw/zinc/09/18/61/534091861.db2.gz LNLQHMBNYLYPOS-OCCSQVGLSA-N 1 0 337.493 1.915 20 70 EDIDRO CC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159447290 527360161 /nfs/dbraw/zinc/36/01/61/527360161.db2.gz DWMCAKIXNQKMMH-HNNXBMFYSA-N 1 0 345.443 1.922 20 70 EDIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159974061 527491703 /nfs/dbraw/zinc/49/17/03/527491703.db2.gz CLDPLYIAAYSFRT-MRXNPFEDSA-N 1 0 335.423 1.897 20 70 EDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000159901856 527848146 /nfs/dbraw/zinc/84/81/46/527848146.db2.gz ZQHRUFZFIKUGJE-OAHLLOKOSA-N 1 0 338.496 1.617 20 70 EDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@H](C)[NH+](CC)CC ZINC000159974924 528320357 /nfs/dbraw/zinc/32/03/57/528320357.db2.gz WAAJQJILMRANPB-LBPRGKRZSA-N 1 0 347.419 1.366 20 70 EDIDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159732484 528421158 /nfs/dbraw/zinc/42/11/58/528421158.db2.gz RGZWINASOBBOTL-CQSZACIVSA-N 1 0 326.462 1.842 20 70 EDIDRO CCOc1ccccc1OCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160031402 528750177 /nfs/dbraw/zinc/75/01/77/528750177.db2.gz XFLMZGKKMRXTLN-HNNXBMFYSA-N 1 0 336.432 1.427 20 70 EDIDRO CCOC(=O)C[C@@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000160807907 528867933 /nfs/dbraw/zinc/86/79/33/528867933.db2.gz IXFUGLCDCVFDSJ-OAHLLOKOSA-N 1 0 347.459 1.506 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCn2c3ccccc3oc2=O)CC1 ZINC000159828837 529024725 /nfs/dbraw/zinc/02/47/25/529024725.db2.gz OMLKHHZOBCOPNT-UHFFFAOYSA-N 1 0 332.404 1.332 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ccc(Cl)cn2)CC1 ZINC000159990040 529025254 /nfs/dbraw/zinc/02/52/54/529025254.db2.gz DGUAEWRKYDJALN-UHFFFAOYSA-N 1 0 326.828 1.851 20 70 EDIDRO CCN1CC[NH+](CCCCNC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159519147 529143700 /nfs/dbraw/zinc/14/37/00/529143700.db2.gz OBKWABCGRWNZAI-UHFFFAOYSA-N 1 0 329.448 1.710 20 70 EDIDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000160015416 540018282 /nfs/dbraw/zinc/01/82/82/540018282.db2.gz XJIRAOKVKBZHIZ-MRXNPFEDSA-N 1 0 346.475 1.588 20 70 EDIDRO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160160102 540020726 /nfs/dbraw/zinc/02/07/26/540020726.db2.gz LBKDKWGBZMBUOY-NTDBWNAOSA-N 1 0 333.476 1.997 20 70 EDIDRO COc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1Br ZINC000217914624 139020816 /nfs/dbraw/zinc/02/08/16/139020816.db2.gz JUFBJGYGWFAQDT-HLUHBDAQSA-N 1 0 343.221 1.358 20 70 EDIDRO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000160081597 296211225 /nfs/dbraw/zinc/21/12/25/296211225.db2.gz PSPHAHZATAKFTQ-SNVBAGLBSA-N 1 0 327.425 1.739 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000160539648 533030673 /nfs/dbraw/zinc/03/06/73/533030673.db2.gz QHWDKCAYBWNYBG-SWLSCSKDSA-N 1 0 325.359 1.352 20 70 EDIDRO COc1ccc2[nH]cc(CC(=O)NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000160370684 533236668 /nfs/dbraw/zinc/23/66/68/533236668.db2.gz GXTULVPIYXNGME-HNNXBMFYSA-N 1 0 345.443 1.682 20 70 EDIDRO CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000160071803 533608070 /nfs/dbraw/zinc/60/80/70/533608070.db2.gz YUOFNDZMJZOFBH-CQSZACIVSA-N 1 0 337.489 1.321 20 70 EDIDRO CN(C)S(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH3+])ccc1Cl ZINC000159934266 225305532 /nfs/dbraw/zinc/30/55/32/225305532.db2.gz KWGNNBBQNQZUBI-UHFFFAOYSA-N 1 0 333.841 1.057 20 70 EDIDRO COc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3C[NH3+])n2)cc1 ZINC000160350591 225394604 /nfs/dbraw/zinc/39/46/04/225394604.db2.gz RHDZXGDXILUNHV-CYBMUJFWSA-N 1 0 330.388 1.628 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160039844 225325647 /nfs/dbraw/zinc/32/56/47/225325647.db2.gz DKHUTBBTYZYBOG-MRXNPFEDSA-N 1 0 332.448 1.955 20 70 EDIDRO CCOc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160580540 272930047 /nfs/dbraw/zinc/93/00/47/272930047.db2.gz HEDREWHGCSOJSR-HNNXBMFYSA-N 1 0 336.432 1.427 20 70 EDIDRO Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000161341332 302926245 /nfs/dbraw/zinc/92/62/45/302926245.db2.gz LMAMYBZKCUYKKU-UHFFFAOYSA-N 1 0 339.461 1.762 20 70 EDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000159491236 441816564 /nfs/dbraw/zinc/81/65/64/441816564.db2.gz VLFRYMGUOCXXOZ-ZDUSSCGKSA-N 1 0 346.406 1.569 20 70 EDIDRO COCC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)C(N)=O ZINC000159509411 441817693 /nfs/dbraw/zinc/81/76/93/441817693.db2.gz ISLRZWVAAATZGB-ZDUSSCGKSA-N 1 0 327.469 1.093 20 70 EDIDRO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000160233948 441867107 /nfs/dbraw/zinc/86/71/07/441867107.db2.gz ULPOUQAXAFDQPD-RBSFLKMASA-N 1 0 341.521 1.623 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000159967403 441850893 /nfs/dbraw/zinc/85/08/93/441850893.db2.gz UCMZQBJJUKRRLC-CQSZACIVSA-N 1 0 334.468 1.974 20 70 EDIDRO CC(C)S(=O)(=O)CCCN(CCC(N)=O)Cc1ccccc1 ZINC000160600454 441900992 /nfs/dbraw/zinc/90/09/92/441900992.db2.gz NRKOLWJZUAPJAZ-UHFFFAOYSA-N 1 0 326.462 1.577 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)C1 ZINC000160811521 441923669 /nfs/dbraw/zinc/92/36/69/441923669.db2.gz HJBFADSFAQPYQM-SNVBAGLBSA-N 1 0 330.331 1.739 20 70 EDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160384044 441875388 /nfs/dbraw/zinc/87/53/88/441875388.db2.gz XPMOFIFIQQOOBY-CQSZACIVSA-N 1 0 335.452 1.468 20 70 EDIDRO CCCOc1cccc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160405123 441877841 /nfs/dbraw/zinc/87/78/41/441877841.db2.gz JEBKNFOHMMOZJG-QGZVFWFLSA-N 1 0 334.460 1.981 20 70 EDIDRO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160546609 441895154 /nfs/dbraw/zinc/89/51/54/441895154.db2.gz ZTQACUZOMONZFW-ZDUSSCGKSA-N 1 0 344.406 1.401 20 70 EDIDRO O=C(CCn1ccc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160554358 441896589 /nfs/dbraw/zinc/89/65/89/441896589.db2.gz DTHMLNIBGVQXMV-KRWDZBQOSA-N 1 0 329.444 1.994 20 70 EDIDRO Cn1cc(N2CCC[C@@H](N3CCC([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160595662 441899374 /nfs/dbraw/zinc/89/93/74/441899374.db2.gz FTCDRTABILVNBX-QGZVFWFLSA-N 1 0 331.464 1.476 20 70 EDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000161182442 441968691 /nfs/dbraw/zinc/96/86/91/441968691.db2.gz OPGMCUYXQCQVNY-RHSMWYFYSA-N 1 0 332.448 1.773 20 70 EDIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160904194 441934524 /nfs/dbraw/zinc/93/45/24/441934524.db2.gz OSPBTXMOFDWJDC-MGPQQGTHSA-N 1 0 344.459 1.963 20 70 EDIDRO C[C@@H](CCO)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161258712 441978028 /nfs/dbraw/zinc/97/80/28/441978028.db2.gz IQWRBVIQYVDVFC-GJZGRUSLSA-N 1 0 334.464 1.925 20 70 EDIDRO Cc1ccc([C@H]2COCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000161091265 441955662 /nfs/dbraw/zinc/95/56/62/441955662.db2.gz WTSOCYMTYDCNIA-CQSZACIVSA-N 1 0 347.419 1.952 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000161134835 441962776 /nfs/dbraw/zinc/96/27/76/441962776.db2.gz DUDYUZSMMABMRH-GFCCVEGCSA-N 1 0 348.447 1.959 20 70 EDIDRO COC(=O)Cn1cc(CC[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)nn1 ZINC000161167246 441965911 /nfs/dbraw/zinc/96/59/11/441965911.db2.gz NJPJAGXHNNLYBA-HOCLYGCPSA-N 1 0 328.416 1.872 20 70 EDIDRO NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161429096 441999832 /nfs/dbraw/zinc/99/98/32/441999832.db2.gz NYTXHOQFLKXVGQ-HOCLYGCPSA-N 1 0 325.416 1.630 20 70 EDIDRO CCCN(C)S(=O)(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000161337179 441987443 /nfs/dbraw/zinc/98/74/43/441987443.db2.gz AQAIIVCBNCGROB-MRXNPFEDSA-N 1 0 341.477 1.236 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161486060 442004137 /nfs/dbraw/zinc/00/41/37/442004137.db2.gz NRGXOASTWFZIKC-KBPBESRZSA-N 1 0 334.468 1.452 20 70 EDIDRO CCOc1ccccc1C(=O)NCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161120402 486642377 /nfs/dbraw/zinc/64/23/77/486642377.db2.gz VNPRBMAHEKDOQD-GJZGRUSLSA-N 1 0 347.459 1.981 20 70 EDIDRO COc1cc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1O ZINC000160014815 533758959 /nfs/dbraw/zinc/75/89/59/533758959.db2.gz XCLJTBLIIDEUKH-OAHLLOKOSA-N 1 0 335.448 1.925 20 70 EDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160062098 528251329 /nfs/dbraw/zinc/25/13/29/528251329.db2.gz QNYDUYNSDDBRSL-AWEZNQCLSA-N 1 0 332.439 1.701 20 70 EDIDRO C[NH+]1CCN(CCCNC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160193350 529771245 /nfs/dbraw/zinc/77/12/45/529771245.db2.gz VZJQACMCDBJAPQ-CQSZACIVSA-N 1 0 338.477 1.362 20 70 EDIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000160001255 530061888 /nfs/dbraw/zinc/06/18/88/530061888.db2.gz SHHXYRGNUVPACR-LBPRGKRZSA-N 1 0 337.493 1.578 20 70 EDIDRO COc1ccccc1OCCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159386177 540009175 /nfs/dbraw/zinc/00/91/75/540009175.db2.gz GGFXBIVDHXGHDY-INIZCTEOSA-N 1 0 347.459 1.488 20 70 EDIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC1CC1 ZINC000159839926 533533544 /nfs/dbraw/zinc/53/35/44/533533544.db2.gz ZFAVYIORMJEBBI-VXGBXAGGSA-N 1 0 342.403 1.295 20 70 EDIDRO COCCCOc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000159711880 225264580 /nfs/dbraw/zinc/26/45/80/225264580.db2.gz WVJVVBUTUDZUMI-MRXNPFEDSA-N 1 0 335.448 1.995 20 70 EDIDRO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159552556 225238424 /nfs/dbraw/zinc/23/84/24/225238424.db2.gz HLSWDSHRNTURNI-LLLHUVSDSA-N 1 0 327.428 1.829 20 70 EDIDRO O=C(NCCCC[NH+]1CCCC1)N1CCCN(CC(F)F)CC1 ZINC000160355790 225393784 /nfs/dbraw/zinc/39/37/84/225393784.db2.gz GAHHMUROXYLBNK-UHFFFAOYSA-N 1 0 332.439 1.845 20 70 EDIDRO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1S(=O)(=O)NC1CC1 ZINC000160102055 225339000 /nfs/dbraw/zinc/33/90/00/225339000.db2.gz CXMTWVNHIKCIPI-ZDUSSCGKSA-N 1 0 337.445 1.516 20 70 EDIDRO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160128767 225344472 /nfs/dbraw/zinc/34/44/72/225344472.db2.gz CMPYCRAKMVCXLM-HNNXBMFYSA-N 1 0 340.493 1.676 20 70 EDIDRO O=C(COc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160151053 225349240 /nfs/dbraw/zinc/34/92/40/225349240.db2.gz XIQWWKQXZTVTQR-CQSZACIVSA-N 1 0 326.824 1.682 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000160612620 267505977 /nfs/dbraw/zinc/50/59/77/267505977.db2.gz XXURWGGYJGUFDC-HNNXBMFYSA-N 1 0 336.457 1.159 20 70 EDIDRO COc1ncc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1C(N)=O ZINC000160742215 274169507 /nfs/dbraw/zinc/16/95/07/274169507.db2.gz HMFWXPAAVVMYON-AWEZNQCLSA-N 1 0 334.420 1.638 20 70 EDIDRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159539449 441820428 /nfs/dbraw/zinc/82/04/28/441820428.db2.gz GEYIIWHMULIUEY-SCTDSRPQSA-N 1 0 341.455 1.875 20 70 EDIDRO Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160133834 441861098 /nfs/dbraw/zinc/86/10/98/441861098.db2.gz NEYSBMDXYQEOJD-MRXNPFEDSA-N 1 0 342.443 1.757 20 70 EDIDRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H](O)C(F)(F)F ZINC000160258788 441869100 /nfs/dbraw/zinc/86/91/00/441869100.db2.gz IGEVAMCSZPOWKQ-KGLIPLIRSA-N 1 0 347.381 1.261 20 70 EDIDRO CC1CCC(NS(=O)(=O)CC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000159762996 441836227 /nfs/dbraw/zinc/83/62/27/441836227.db2.gz OCXCIOWQKZYMDO-UHFFFAOYSA-N 1 0 345.509 1.262 20 70 EDIDRO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)C[C@@H]1CCC[C@@H]1O ZINC000159778648 441837141 /nfs/dbraw/zinc/83/71/41/441837141.db2.gz BNWHOUSRTLBMMF-YOEHRIQHSA-N 1 0 345.443 1.845 20 70 EDIDRO O=C(CCn1ncc(=O)c2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159804311 441840258 /nfs/dbraw/zinc/84/02/58/441840258.db2.gz ZNFPIBMDQRYPSW-OKILXGFUSA-N 1 0 326.400 1.140 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](C)CCc2ccccc2OC)nn1 ZINC000159859766 441843315 /nfs/dbraw/zinc/84/33/15/441843315.db2.gz LTLFOVRKRZBDCN-UHFFFAOYSA-N 1 0 332.404 1.177 20 70 EDIDRO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160642141 441904211 /nfs/dbraw/zinc/90/42/11/441904211.db2.gz OTPRUZFWUHGRNI-DOTOQJQBSA-N 1 0 343.475 1.534 20 70 EDIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160829305 441926528 /nfs/dbraw/zinc/92/65/28/441926528.db2.gz FCVLPPBHTZFDKG-QWHCGFSZSA-N 1 0 329.404 1.757 20 70 EDIDRO Cn1cc(C(=O)NCC2CC[NH+](CCO)CC2)c(-c2cccs2)n1 ZINC000160756986 441917971 /nfs/dbraw/zinc/91/79/71/441917971.db2.gz PHXSPJWSOWQMQH-UHFFFAOYSA-N 1 0 348.472 1.583 20 70 EDIDRO COC(=O)c1ccsc1N1CC[C@@H](N(C)C[C@@H](O)C2CC2)C1=O ZINC000160850044 441927258 /nfs/dbraw/zinc/92/72/58/441927258.db2.gz NJFQHPOUTGVWNY-CHWSQXEVSA-N 1 0 338.429 1.343 20 70 EDIDRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000160389463 441876765 /nfs/dbraw/zinc/87/67/65/441876765.db2.gz FAFUBTXBGSNDDQ-AEFFLSMTSA-N 1 0 349.475 1.910 20 70 EDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000160420581 441880225 /nfs/dbraw/zinc/88/02/25/441880225.db2.gz MENWKXTUOSNTNR-LLVKDONJSA-N 1 0 326.828 1.828 20 70 EDIDRO COc1ccccc1-c1nnc(CN2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000160428743 441881658 /nfs/dbraw/zinc/88/16/58/441881658.db2.gz XKPPBNLMNRDYGQ-UHFFFAOYSA-N 1 0 346.431 1.634 20 70 EDIDRO O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000160473640 441887032 /nfs/dbraw/zinc/88/70/32/441887032.db2.gz HNBZSTIAYOXVRZ-KURKYZTESA-N 1 0 341.455 1.892 20 70 EDIDRO O=C(Cn1nc(-c2ccccc2)ccc1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160491438 441888371 /nfs/dbraw/zinc/88/83/71/441888371.db2.gz NGHXKBCHEPUYPV-IYBDPMFKSA-N 1 0 338.411 1.263 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000160572989 441897905 /nfs/dbraw/zinc/89/79/05/441897905.db2.gz FQACPFNDXHUYIL-CYBMUJFWSA-N 1 0 332.379 1.937 20 70 EDIDRO Cc1nc(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000160864222 441929349 /nfs/dbraw/zinc/92/93/49/441929349.db2.gz YYPDCVGXZBPGJX-CYBMUJFWSA-N 1 0 338.477 1.006 20 70 EDIDRO Cc1ccc(F)c(OCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000160957308 441940726 /nfs/dbraw/zinc/94/07/26/441940726.db2.gz PTEGGZCJQMBVHC-OAHLLOKOSA-N 1 0 336.407 1.694 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000160976781 441942587 /nfs/dbraw/zinc/94/25/87/441942587.db2.gz SUNGYXMAXSRFCX-OWCLPIDISA-N 1 0 345.443 1.300 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000160992640 441945484 /nfs/dbraw/zinc/94/54/84/441945484.db2.gz PHHAXOFRQYPXQT-IYBDPMFKSA-N 1 0 349.475 1.400 20 70 EDIDRO COCCC1(CNC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000161073891 441953362 /nfs/dbraw/zinc/95/33/62/441953362.db2.gz LVJOIGJAWRZWGM-OAHLLOKOSA-N 1 0 339.480 1.698 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000161083615 441955202 /nfs/dbraw/zinc/95/52/02/441955202.db2.gz QKRIPNWHGPNWHQ-CQSZACIVSA-N 1 0 345.443 1.649 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)CC1 ZINC000161109256 441957849 /nfs/dbraw/zinc/95/78/49/441957849.db2.gz UXGCMDFIOBVCJD-UHFFFAOYSA-N 1 0 344.459 1.927 20 70 EDIDRO COC[C@H](O)CCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000161155731 441965115 /nfs/dbraw/zinc/96/51/15/441965115.db2.gz YCXHRYWPANLEOS-GOSISDBHSA-N 1 0 349.475 1.021 20 70 EDIDRO Cc1ccccc1CS(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161412105 441996317 /nfs/dbraw/zinc/99/63/17/441996317.db2.gz OQWKJRVCLLKBKI-UHFFFAOYSA-N 1 0 326.462 1.119 20 70 EDIDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)ccc1F ZINC000161409803 441996880 /nfs/dbraw/zinc/99/68/80/441996880.db2.gz JCSQYIMYUCQZQU-UHFFFAOYSA-N 1 0 330.425 1.117 20 70 EDIDRO COCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000160570264 318422387 /nfs/dbraw/zinc/42/23/87/318422387.db2.gz LLETZPQBPGOANA-ZBFHGGJFSA-N 1 0 327.469 1.290 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1 ZINC000160899567 486640285 /nfs/dbraw/zinc/64/02/85/486640285.db2.gz MJGGYYWAKHSBCT-KGLIPLIRSA-N 1 0 331.416 1.578 20 70 EDIDRO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161470597 486644778 /nfs/dbraw/zinc/64/47/78/486644778.db2.gz SSEMCWRZSPVYRX-YNEHKIRRSA-N 1 0 327.494 1.710 20 70 EDIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160622568 500729717 /nfs/dbraw/zinc/72/97/17/500729717.db2.gz SOQXQJCSXAVTHU-JCGIZDLHSA-N 1 0 343.471 1.806 20 70 EDIDRO [NH3+]CCCC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160136147 534599210 /nfs/dbraw/zinc/59/92/10/534599210.db2.gz BWEIKIBAVWYESL-GFCCVEGCSA-N 1 0 345.321 1.546 20 70 EDIDRO CC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159447147 527359606 /nfs/dbraw/zinc/35/96/06/527359606.db2.gz DWMCAKIXNQKMMH-OAHLLOKOSA-N 1 0 345.443 1.922 20 70 EDIDRO CC(C)C(=O)NCCC[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159973937 527492469 /nfs/dbraw/zinc/49/24/69/527492469.db2.gz CLDPLYIAAYSFRT-INIZCTEOSA-N 1 0 335.423 1.897 20 70 EDIDRO CCC[N@H+](CC)CCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O ZINC000159413635 527970797 /nfs/dbraw/zinc/97/07/97/527970797.db2.gz JBIKYAGLXXETSU-UHFFFAOYSA-N 1 0 337.468 1.426 20 70 EDIDRO CC(C)Oc1ccccc1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160702867 528249419 /nfs/dbraw/zinc/24/94/19/528249419.db2.gz BSZYDFSELZMTTA-UHFFFAOYSA-N 1 0 334.460 1.837 20 70 EDIDRO CCCNC(=O)c1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160368958 528458584 /nfs/dbraw/zinc/45/85/84/528458584.db2.gz PZIGWZFAXRWECY-KRWDZBQOSA-N 1 0 347.459 1.403 20 70 EDIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000161126008 528818612 /nfs/dbraw/zinc/81/86/12/528818612.db2.gz XYFLPZRXXWREAV-LBPRGKRZSA-N 1 0 325.434 1.776 20 70 EDIDRO CCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000160098383 528965456 /nfs/dbraw/zinc/96/54/56/528965456.db2.gz CNTCISAEHSGUIB-LLVKDONJSA-N 1 0 348.852 1.829 20 70 EDIDRO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159493316 529949803 /nfs/dbraw/zinc/94/98/03/529949803.db2.gz VGNWWBJEZDVPDN-NOLJZWGESA-N 1 0 333.432 1.466 20 70 EDIDRO CNC(=O)Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000159378126 540009079 /nfs/dbraw/zinc/00/90/79/540009079.db2.gz VNLKKIOKGLQZQV-WBVHZDCISA-N 1 0 344.459 1.923 20 70 EDIDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161374425 540033435 /nfs/dbraw/zinc/03/34/35/540033435.db2.gz IEFGKPNTPMOGKU-OAHLLOKOSA-N 1 0 342.447 1.581 20 70 EDIDRO COc1ccc2c(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)coc2c1 ZINC000160055715 533238672 /nfs/dbraw/zinc/23/86/72/533238672.db2.gz VVCAJGNVFILNOY-OAHLLOKOSA-N 1 0 346.427 1.947 20 70 EDIDRO COc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160174708 533446495 /nfs/dbraw/zinc/44/64/95/533446495.db2.gz HLYKZSIHLKMJRO-HNNXBMFYSA-N 1 0 336.432 1.209 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000159953393 533605729 /nfs/dbraw/zinc/60/57/29/533605729.db2.gz AIVYXONCSVIFID-NEPJUHHUSA-N 1 0 325.409 1.128 20 70 EDIDRO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c(=O)n(-c2ccccc2)n1C ZINC000159427820 225214804 /nfs/dbraw/zinc/21/48/04/225214804.db2.gz JGOJRRQCPHKLSA-TZMCWYRMSA-N 1 0 346.431 1.124 20 70 EDIDRO O=C(NCC[NH2+]C1CCCCCC1)c1sccc1-n1cnnn1 ZINC000159703662 225262542 /nfs/dbraw/zinc/26/25/42/225262542.db2.gz RCHGVPIECFAXEC-UHFFFAOYSA-N 1 0 334.449 1.766 20 70 EDIDRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[NH2+]C1 ZINC000159800288 225280268 /nfs/dbraw/zinc/28/02/68/225280268.db2.gz QUVAFLRBIUKAIF-CYBMUJFWSA-N 1 0 329.400 1.179 20 70 EDIDRO O=C(c1cn(Cc2ccccc2)nn1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159814233 225282908 /nfs/dbraw/zinc/28/29/08/225282908.db2.gz UEIXENOFNWZUNO-UHFFFAOYSA-N 1 0 339.443 1.931 20 70 EDIDRO Cn1nc2c(cc1=O)C[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)CC2 ZINC000159913359 225301030 /nfs/dbraw/zinc/30/10/30/225301030.db2.gz UYYSERDPTHCEMR-UHFFFAOYSA-N 1 0 346.475 1.423 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000160443970 272929596 /nfs/dbraw/zinc/92/95/96/272929596.db2.gz KABXXCOCGWONKW-HNNXBMFYSA-N 1 0 328.416 1.449 20 70 EDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC(=O)NC ZINC000160039803 276121483 /nfs/dbraw/zinc/12/14/83/276121483.db2.gz UGDZPSOVTOOFIW-AWEZNQCLSA-N 1 0 347.463 1.464 20 70 EDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000161301274 290274054 /nfs/dbraw/zinc/27/40/54/290274054.db2.gz BOAXQDHPGCDDOY-KGLIPLIRSA-N 1 0 345.447 1.137 20 70 EDIDRO C[NH+](C)CCN(C(=O)NCCC(=O)N1CCCCC1)C1CCCC1 ZINC000160215768 302921177 /nfs/dbraw/zinc/92/11/77/302921177.db2.gz VCPIVUGJRCJDOT-UHFFFAOYSA-N 1 0 338.496 1.905 20 70 EDIDRO COCCc1noc(CN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000160303262 302921528 /nfs/dbraw/zinc/92/15/28/302921528.db2.gz FULHHTGPGZQOGF-CYBMUJFWSA-N 1 0 339.440 1.274 20 70 EDIDRO O=C(c1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1)N1CCCC1 ZINC000159682267 441828925 /nfs/dbraw/zinc/82/89/25/441828925.db2.gz MHTNECSVRRRUCB-OKILXGFUSA-N 1 0 328.416 1.284 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000159666534 441829260 /nfs/dbraw/zinc/82/92/60/441829260.db2.gz ZJMOAUCXBWMCES-CYBMUJFWSA-N 1 0 346.431 1.816 20 70 EDIDRO O=C(C[C@H]1CCC[NH2+]1)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000159685676 441829972 /nfs/dbraw/zinc/82/99/72/441829972.db2.gz MIFIUMVFRWCAFW-QGZVFWFLSA-N 1 0 329.444 1.797 20 70 EDIDRO CCN(CCNC(=O)N1CCC[N@H+](CC)CC1)C(=O)OC(C)(C)C ZINC000159823233 441839645 /nfs/dbraw/zinc/83/96/45/441839645.db2.gz XMKHYZANGTYEKI-UHFFFAOYSA-N 1 0 342.484 1.981 20 70 EDIDRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159888957 441844566 /nfs/dbraw/zinc/84/45/66/441844566.db2.gz PGIAWCKKYPXCTB-WBVHZDCISA-N 1 0 338.496 1.269 20 70 EDIDRO Cn1cnc2cc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cnc21 ZINC000159913539 441846021 /nfs/dbraw/zinc/84/60/21/441846021.db2.gz LGPRGIGZVPHQAV-HNNXBMFYSA-N 1 0 327.432 1.963 20 70 EDIDRO COC(=O)c1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159907007 441846131 /nfs/dbraw/zinc/84/61/31/441846131.db2.gz FWMBRXPMPSVRBO-QGZVFWFLSA-N 1 0 348.443 1.369 20 70 EDIDRO COCCOc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160682143 441909852 /nfs/dbraw/zinc/90/98/52/441909852.db2.gz QBHVGAFHGPWSEJ-MRXNPFEDSA-N 1 0 336.432 1.288 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160728368 441914486 /nfs/dbraw/zinc/91/44/86/441914486.db2.gz LLSRUIJMFNSAIH-AWEZNQCLSA-N 1 0 348.447 1.961 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)C1 ZINC000160763181 441917947 /nfs/dbraw/zinc/91/79/47/441917947.db2.gz DBBPKCANGFHWEX-ZDUSSCGKSA-N 1 0 327.384 1.990 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000160794418 441921745 /nfs/dbraw/zinc/92/17/45/441921745.db2.gz LJBBMHGONVSDON-DTWKUNHWSA-N 1 0 333.173 1.619 20 70 EDIDRO Cc1onc(-c2ccncc2)c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000160390088 441876437 /nfs/dbraw/zinc/87/64/37/441876437.db2.gz RTBXRIFFLGCVMO-UHFFFAOYSA-N 1 0 329.404 1.022 20 70 EDIDRO C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000160389331 441876818 /nfs/dbraw/zinc/87/68/18/441876818.db2.gz FAFUBTXBGSNDDQ-WMZOPIPTSA-N 1 0 349.475 1.910 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000160448606 441884294 /nfs/dbraw/zinc/88/42/94/441884294.db2.gz BSPQZGUGFSAKFM-INIZCTEOSA-N 1 0 346.406 1.588 20 70 EDIDRO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160448950 441884614 /nfs/dbraw/zinc/88/46/14/441884614.db2.gz PWAAJZMOBSCILR-BBWFWOEESA-N 1 0 340.431 1.118 20 70 EDIDRO NC(=O)C[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160465090 441886012 /nfs/dbraw/zinc/88/60/12/441886012.db2.gz QYGUPEZYQNMJQW-CJNGLKHVSA-N 1 0 333.407 1.909 20 70 EDIDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)NC(=O)NC1CC1 ZINC000160872202 441930232 /nfs/dbraw/zinc/93/02/32/441930232.db2.gz ZBSIWCRAHQHLBV-QWHCGFSZSA-N 1 0 341.415 1.900 20 70 EDIDRO C[NH+](C)CCOc1ccc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1 ZINC000160999732 441945750 /nfs/dbraw/zinc/94/57/50/441945750.db2.gz JZZFQFFFGLSZIC-UHFFFAOYSA-N 1 0 342.461 1.779 20 70 EDIDRO O=C(Nc1ccc(F)nc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161260628 441978683 /nfs/dbraw/zinc/97/86/83/441978683.db2.gz YUUOIRAAQOWVAV-AWEZNQCLSA-N 1 0 334.395 1.636 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](CC(C)C)C1CC1 ZINC000161369969 441990894 /nfs/dbraw/zinc/99/08/94/441990894.db2.gz AINPMGFOWHADHW-UHFFFAOYSA-N 1 0 339.461 1.701 20 70 EDIDRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)[C@]3(C)CC[NH2+]C3)ccc2NC1=O ZINC000161370384 441991338 /nfs/dbraw/zinc/99/13/38/441991338.db2.gz NTVMHKRBRIKEGR-YRILPIOLSA-N 1 0 331.416 1.973 20 70 EDIDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000161391433 441994953 /nfs/dbraw/zinc/99/49/53/441994953.db2.gz GPAVWHHUDLBVGZ-UHFFFAOYSA-N 1 0 346.880 1.631 20 70 EDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000161395252 441995462 /nfs/dbraw/zinc/99/54/62/441995462.db2.gz HWMIVTZIEZTGDX-UHFFFAOYSA-N 1 0 332.853 1.323 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000161299330 441982392 /nfs/dbraw/zinc/98/23/92/441982392.db2.gz PMKLGVIZFNDNES-ZDUSSCGKSA-N 1 0 334.811 1.204 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CC[NH+]1CCCC1)CC2 ZINC000161464686 442001789 /nfs/dbraw/zinc/00/17/89/442001789.db2.gz ILMRMRXBLJNCNR-AWEZNQCLSA-N 1 0 334.468 1.454 20 70 EDIDRO O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000161355589 441990055 /nfs/dbraw/zinc/99/00/55/441990055.db2.gz ZPLQUVWJLNHQGQ-MRXNPFEDSA-N 1 0 349.862 1.695 20 70 EDIDRO O[C@@H](COCc1ccco1)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161484035 442004164 /nfs/dbraw/zinc/00/41/64/442004164.db2.gz HULIRJNPLHBUDA-TZMCWYRMSA-N 1 0 337.338 1.792 20 70 EDIDRO C[C@@H](O)[C@H]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000159992265 533839112 /nfs/dbraw/zinc/83/91/12/533839112.db2.gz MMVVYMDSZSICJI-LMSBXDPUSA-N 1 0 331.460 1.919 20 70 EDIDRO O=C(c1ccc(N2CCCC2)nn1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159861890 534711517 /nfs/dbraw/zinc/71/15/17/534711517.db2.gz SGWADQYHRIJDTP-UHFFFAOYSA-N 1 0 329.448 1.681 20 70 EDIDRO CC(C)([NH3+])C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160134327 527240587 /nfs/dbraw/zinc/24/05/87/527240587.db2.gz MVSDNPWJULFIMZ-LLVKDONJSA-N 1 0 345.321 1.544 20 70 EDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000160353243 527849751 /nfs/dbraw/zinc/84/97/51/527849751.db2.gz LUDQCJBWGHTRDZ-OWCLPIDISA-N 1 0 338.496 1.758 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000161188334 528650635 /nfs/dbraw/zinc/65/06/35/528650635.db2.gz MTCBFJGFQHZRIO-UHFFFAOYSA-N 1 0 335.448 1.946 20 70 EDIDRO CC[NH+]1CCN(c2ccc(NC(=O)NC3(CO)CC3)c(C)c2)CC1 ZINC000160252055 529153482 /nfs/dbraw/zinc/15/34/82/529153482.db2.gz FJJRKWVRIPZCLB-UHFFFAOYSA-N 1 0 332.448 1.783 20 70 EDIDRO Cn1cnc2cc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)cnc21 ZINC000160186738 535938814 /nfs/dbraw/zinc/93/88/14/535938814.db2.gz VGXVUHFKZTUVKK-MRXNPFEDSA-N 1 0 337.427 1.871 20 70 EDIDRO CC[C@H](C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)[NH+](C)C ZINC000160030386 529598080 /nfs/dbraw/zinc/59/80/80/529598080.db2.gz XFUCFZAKLPVODH-MRXNPFEDSA-N 1 0 329.448 1.319 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000161163549 290724887 /nfs/dbraw/zinc/72/48/87/290724887.db2.gz IXGYWLGTTMHSIG-MRXNPFEDSA-N 1 0 340.427 1.882 20 70 EDIDRO Cc1nccn1CCCN(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000159473934 540009946 /nfs/dbraw/zinc/00/99/46/540009946.db2.gz CVMSQTOYXYHERB-UHFFFAOYSA-N 1 0 333.440 1.504 20 70 EDIDRO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000160193043 540021652 /nfs/dbraw/zinc/02/16/52/540021652.db2.gz WNEZREARFVYIRB-AVVWSFFYSA-N 1 0 336.480 1.559 20 70 EDIDRO COc1ccncc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159453168 533087183 /nfs/dbraw/zinc/08/71/83/533087183.db2.gz UWBQAFCZEFXUBG-ZDUSSCGKSA-N 1 0 334.420 1.123 20 70 EDIDRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159679407 533207394 /nfs/dbraw/zinc/20/73/94/533207394.db2.gz PTWSTTASHGLCBT-IPYPFGDCSA-N 1 0 334.416 1.713 20 70 EDIDRO Cn1cc(N2CCC[C@H](N3CC[NH+](CCC(C)(C)C)CC3)C2=O)cn1 ZINC000159511887 225231419 /nfs/dbraw/zinc/23/14/19/225231419.db2.gz FAMGNLSAYNGNMY-KRWDZBQOSA-N 1 0 347.507 1.969 20 70 EDIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000159432791 225217175 /nfs/dbraw/zinc/21/71/75/225217175.db2.gz PCXRYTCFRGQMGG-CYBMUJFWSA-N 1 0 331.420 1.454 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCOCCO ZINC000159923478 225303798 /nfs/dbraw/zinc/30/37/98/225303798.db2.gz UVUVOIQTQXYGES-RDJZCZTQSA-N 1 0 335.448 1.205 20 70 EDIDRO CCn1c2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2[nH]c(=O)c1=O ZINC000159668008 225257678 /nfs/dbraw/zinc/25/76/78/225257678.db2.gz KZRDAAHTLFPVTR-UHFFFAOYSA-N 1 0 344.415 1.101 20 70 EDIDRO Cc1nn(-c2ccccc2)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160269261 225375222 /nfs/dbraw/zinc/37/52/22/225375222.db2.gz MZKPCUQBEYTNRB-QGZVFWFLSA-N 1 0 342.443 1.757 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000160307170 225386094 /nfs/dbraw/zinc/38/60/94/225386094.db2.gz YALVTDLCQDQPJP-QGZVFWFLSA-N 1 0 328.416 1.449 20 70 EDIDRO COCCN(CC[NH+](C)C)C(=O)c1cc(NC(C)=O)ccc1Cl ZINC000160049088 225326599 /nfs/dbraw/zinc/32/65/99/225326599.db2.gz WJRLNEOMXLMXFH-UHFFFAOYSA-N 1 0 341.839 1.949 20 70 EDIDRO Cn1cnc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1Cl ZINC000160143747 225348628 /nfs/dbraw/zinc/34/86/28/225348628.db2.gz AGYGJXOHPXEBEJ-LBPRGKRZSA-N 1 0 346.884 1.713 20 70 EDIDRO Cc1cc(C)nc(-n2cc(C(=O)NCC(C)(C)[NH3+])c(C(C)C)n2)n1 ZINC000160005319 267496869 /nfs/dbraw/zinc/49/68/69/267496869.db2.gz MWOSTXDWPREHLM-UHFFFAOYSA-N 1 0 330.436 1.870 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000161228569 272930606 /nfs/dbraw/zinc/93/06/06/272930606.db2.gz XRYIYZXRUMFPAU-NSHDSACASA-N 1 0 343.449 1.180 20 70 EDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)C2)CC1 ZINC000160089208 441858938 /nfs/dbraw/zinc/85/89/38/441858938.db2.gz UARXUCGLHUPXBG-AEFFLSMTSA-N 1 0 330.476 1.814 20 70 EDIDRO COc1ccccc1N1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000160121867 441860030 /nfs/dbraw/zinc/86/00/30/441860030.db2.gz JBJQOEQCIIXNCM-KFWWJZLASA-N 1 0 343.427 1.401 20 70 EDIDRO COc1ccc(O[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160301659 441870914 /nfs/dbraw/zinc/87/09/14/441870914.db2.gz LLGWTOXLRLTFKZ-GJZGRUSLSA-N 1 0 336.432 1.426 20 70 EDIDRO Cc1ccc(C(=O)CCC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160632874 441903578 /nfs/dbraw/zinc/90/35/78/441903578.db2.gz LNDBETIWDLMFOF-UHFFFAOYSA-N 1 0 332.444 1.778 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160649755 441906080 /nfs/dbraw/zinc/90/60/80/441906080.db2.gz GIMREIATLYGCQO-HNNXBMFYSA-N 1 0 328.416 1.653 20 70 EDIDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160669313 441906940 /nfs/dbraw/zinc/90/69/40/441906940.db2.gz XTBVPKYRNMINEB-LBPRGKRZSA-N 1 0 342.386 1.553 20 70 EDIDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160677602 441908070 /nfs/dbraw/zinc/90/80/70/441908070.db2.gz XWDUPXHOHJGWOC-CYBMUJFWSA-N 1 0 340.851 1.928 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000160831909 441926626 /nfs/dbraw/zinc/92/66/26/441926626.db2.gz NQYYLCPOPDLAER-WBVHZDCISA-N 1 0 347.463 1.310 20 70 EDIDRO COC(=O)C[C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160719565 441912973 /nfs/dbraw/zinc/91/29/73/441912973.db2.gz GXOHGEQNQRHRTE-CFVMTHIKSA-N 1 0 326.437 1.070 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1 ZINC000160405105 441878068 /nfs/dbraw/zinc/87/80/68/441878068.db2.gz WBRUHQIWMXYFHQ-DGCLKSJQSA-N 1 0 332.491 1.359 20 70 EDIDRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160427066 441880327 /nfs/dbraw/zinc/88/03/27/441880327.db2.gz ZCZHWENICAMPJT-HUUCEWRRSA-N 1 0 325.453 1.042 20 70 EDIDRO CCN(c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1)C(C)C ZINC000160437271 441882988 /nfs/dbraw/zinc/88/29/88/441882988.db2.gz PMLLXAOOOQKPJC-KRWDZBQOSA-N 1 0 348.491 1.893 20 70 EDIDRO CCCn1c2ccccc2n(CCC(=O)N2CC[C@@H]([NH2+]C)C2)c1=O ZINC000160557695 441896453 /nfs/dbraw/zinc/89/64/53/441896453.db2.gz VOFCZZHCSUXTIG-CQSZACIVSA-N 1 0 330.432 1.423 20 70 EDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000160558545 441896677 /nfs/dbraw/zinc/89/66/77/441896677.db2.gz ZCJLSRWPGSJIGF-BXUZGUMPSA-N 1 0 334.445 1.656 20 70 EDIDRO COCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000160570135 441897244 /nfs/dbraw/zinc/89/72/44/441897244.db2.gz LLETZPQBPGOANA-HOCLYGCPSA-N 1 0 327.469 1.290 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Br)o1 ZINC000160580758 441898998 /nfs/dbraw/zinc/89/89/98/441898998.db2.gz VOUOSHYDGNBTNP-UHFFFAOYSA-N 1 0 331.210 1.476 20 70 EDIDRO COc1ccc(-c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000161266851 441979526 /nfs/dbraw/zinc/97/95/26/441979526.db2.gz UYJSIPJEQVSBFY-GOSISDBHSA-N 1 0 326.396 1.967 20 70 EDIDRO CNC(=O)NC(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161239367 441975636 /nfs/dbraw/zinc/97/56/36/441975636.db2.gz XVBPFGLLPARBEW-UHFFFAOYSA-N 1 0 329.404 1.397 20 70 EDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2CO)CC1 ZINC000161260617 441978120 /nfs/dbraw/zinc/97/81/20/441978120.db2.gz WZJSLZGNBGLYPY-PBHICJAKSA-N 1 0 332.448 1.773 20 70 EDIDRO C[N@H+](CC(=O)N1CCN(c2ccc(O)cc2)CC1)[C@H]1CCSC1 ZINC000160978089 441942441 /nfs/dbraw/zinc/94/24/41/441942441.db2.gz ATDHEGUKWPFXIQ-HNNXBMFYSA-N 1 0 335.473 1.478 20 70 EDIDRO O=C(CC1CC[NH2+]CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161008755 441946723 /nfs/dbraw/zinc/94/67/23/441946723.db2.gz UZRJDEBIBHHCCI-UHFFFAOYSA-N 1 0 333.407 1.386 20 70 EDIDRO CO[C@@H]1CCN(C(=O)c2cncc(Br)c2)[C@@H](C[NH3+])C1 ZINC000161055136 441951278 /nfs/dbraw/zinc/95/12/78/441951278.db2.gz OYIZPCMTTJCSHK-VXGBXAGGSA-N 1 0 328.210 1.422 20 70 EDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(CCOC)CCCC1 ZINC000161098622 441956596 /nfs/dbraw/zinc/95/65/96/441956596.db2.gz DXUQBKDJLWWFFQ-MRXNPFEDSA-N 1 0 341.496 1.993 20 70 EDIDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CNC(=O)c1cccnc1 ZINC000161172166 441966255 /nfs/dbraw/zinc/96/62/55/441966255.db2.gz YHNISZWARXZAMP-UHFFFAOYSA-N 1 0 346.475 1.782 20 70 EDIDRO COCCC[NH+]1CCC(NC(=O)Cc2nc(C)sc2C)CC1 ZINC000161183264 441967874 /nfs/dbraw/zinc/96/78/74/441967874.db2.gz GHLKWFPIEUJDAN-UHFFFAOYSA-N 1 0 325.478 1.920 20 70 EDIDRO C[C@]1(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CCC[NH2+]C1 ZINC000161347311 441988252 /nfs/dbraw/zinc/98/82/52/441988252.db2.gz CBTBWUWWWXZXOT-SFHVURJKSA-N 1 0 331.416 1.487 20 70 EDIDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000161486829 442004365 /nfs/dbraw/zinc/00/43/65/442004365.db2.gz CWTHASDRZBRCKV-SJORKVTESA-N 1 0 345.491 1.074 20 70 EDIDRO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000161253892 318424712 /nfs/dbraw/zinc/42/47/12/318424712.db2.gz FQECDTUXHYEZIT-DOTOQJQBSA-N 1 0 347.459 1.416 20 70 EDIDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000160822301 486638684 /nfs/dbraw/zinc/63/86/84/486638684.db2.gz PUEFGAGROQKTAB-WFASDCNBSA-N 1 0 326.462 1.721 20 70 EDIDRO COc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159411103 534165595 /nfs/dbraw/zinc/16/55/95/534165595.db2.gz AWAMBYYVQCUYIM-AWEZNQCLSA-N 1 0 333.432 1.728 20 70 EDIDRO O=C(CCCOc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160093752 534366061 /nfs/dbraw/zinc/36/60/61/534366061.db2.gz GTQGDEAWEOZVTB-MRXNPFEDSA-N 1 0 338.423 1.948 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160166897 534756751 /nfs/dbraw/zinc/75/67/51/534756751.db2.gz HZZXDGUXCULRAU-CQSZACIVSA-N 1 0 336.436 1.794 20 70 EDIDRO CC(C)Cn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000159428847 528715152 /nfs/dbraw/zinc/71/51/52/528715152.db2.gz JVVNFYMXTFSLNH-HNNXBMFYSA-N 1 0 349.479 1.572 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000159613626 529029287 /nfs/dbraw/zinc/02/92/87/529029287.db2.gz NNDFQKGIJCXIEE-UHFFFAOYSA-N 1 0 328.420 1.505 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)CC1 ZINC000161018445 138642044 /nfs/dbraw/zinc/64/20/44/138642044.db2.gz SZNMQQIZKYIZQQ-OAHLLOKOSA-N 1 0 333.432 1.732 20 70 EDIDRO [NH3+]C1(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCCCC1 ZINC000159580989 283405736 /nfs/dbraw/zinc/40/57/36/283405736.db2.gz JBOCRTLYIRCVIM-MRXNPFEDSA-N 1 0 345.443 1.192 20 70 EDIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000159683452 225259832 /nfs/dbraw/zinc/25/98/32/225259832.db2.gz ZXWWWBFKKUFJBU-UHFFFAOYSA-N 1 0 344.415 1.259 20 70 EDIDRO O=S(=O)(C[C@@H]1CCCCO1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160130334 225344513 /nfs/dbraw/zinc/34/45/13/225344513.db2.gz RSDQVBNQSHIHQA-HOTGVXAUSA-N 1 0 330.494 1.836 20 70 EDIDRO C[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160416163 272929617 /nfs/dbraw/zinc/92/96/17/272929617.db2.gz NTXRVSZNJVKLLZ-ZBFHGGJFSA-N 1 0 339.480 1.034 20 70 EDIDRO CC(C)Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000160472733 272929778 /nfs/dbraw/zinc/92/97/78/272929778.db2.gz BDAHFLQCGNFSPT-CYBMUJFWSA-N 1 0 325.478 1.918 20 70 EDIDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159562298 441821349 /nfs/dbraw/zinc/82/13/49/441821349.db2.gz KVCGHGFCFVJTLG-HNNXBMFYSA-N 1 0 337.468 1.971 20 70 EDIDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000160380463 441875063 /nfs/dbraw/zinc/87/50/63/441875063.db2.gz WRXFUWDLIAGXLS-NVXWUHKLSA-N 1 0 325.416 1.824 20 70 EDIDRO CCOC(=O)N[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)CC(C)C ZINC000159682270 441828453 /nfs/dbraw/zinc/82/84/53/441828453.db2.gz IDKXLVSJGZIILZ-HNNXBMFYSA-N 1 0 342.484 1.884 20 70 EDIDRO Cc1nn(C(F)F)c(C)c1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160615227 441902166 /nfs/dbraw/zinc/90/21/66/441902166.db2.gz UVRXOYGRUHPOGG-UHFFFAOYSA-N 1 0 344.406 1.258 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000160621593 441903805 /nfs/dbraw/zinc/90/38/05/441903805.db2.gz WGNIHRWIZBKFIH-CQSZACIVSA-N 1 0 329.400 1.105 20 70 EDIDRO CCCc1noc(CCCC(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000160667788 441906988 /nfs/dbraw/zinc/90/69/88/441906988.db2.gz SLXANTUJEPMQLU-UHFFFAOYSA-N 1 0 338.452 1.165 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000160794743 441921467 /nfs/dbraw/zinc/92/14/67/441921467.db2.gz LJBBMHGONVSDON-BDAKNGLRSA-N 1 0 333.173 1.619 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)C1 ZINC000160811641 441924551 /nfs/dbraw/zinc/92/45/51/441924551.db2.gz HJBFADSFAQPYQM-JTQLQIEISA-N 1 0 330.331 1.739 20 70 EDIDRO COc1ccc(OC)c(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160449148 441884668 /nfs/dbraw/zinc/88/46/68/441884668.db2.gz VGCNXRDIMOUGJO-HNNXBMFYSA-N 1 0 336.432 1.209 20 70 EDIDRO O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160552282 441896467 /nfs/dbraw/zinc/89/64/67/441896467.db2.gz YRHQIMVTAKPJOE-TXEJJXNPSA-N 1 0 344.383 1.649 20 70 EDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(N2CCCC2=O)CC1 ZINC000160834464 441926115 /nfs/dbraw/zinc/92/61/15/441926115.db2.gz FLEFOXRQBCUFDO-HNNXBMFYSA-N 1 0 348.491 1.800 20 70 EDIDRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160579675 441899066 /nfs/dbraw/zinc/89/90/66/441899066.db2.gz OLYJTFJGPOXWAA-ZDUSSCGKSA-N 1 0 336.480 1.036 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000161199999 441971084 /nfs/dbraw/zinc/97/10/84/441971084.db2.gz IONMFNRENMBIST-OAHLLOKOSA-N 1 0 325.453 1.701 20 70 EDIDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000161239232 441976433 /nfs/dbraw/zinc/97/64/33/441976433.db2.gz IHGXMCJKXUVNBZ-CQSZACIVSA-N 1 0 342.461 1.842 20 70 EDIDRO Cc1ccc(F)c(OCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000160957408 441940527 /nfs/dbraw/zinc/94/05/27/441940527.db2.gz PTEGGZCJQMBVHC-HNNXBMFYSA-N 1 0 336.407 1.694 20 70 EDIDRO C[NH+](C)CCC1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000161007093 441946853 /nfs/dbraw/zinc/94/68/53/441946853.db2.gz GFUFILATEUVBNP-UHFFFAOYSA-N 1 0 342.484 1.884 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCCCCCC1 ZINC000161097478 441956528 /nfs/dbraw/zinc/95/65/28/441956528.db2.gz PRFOZGGJXAGUIO-UHFFFAOYSA-N 1 0 339.461 1.847 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000161133187 441960470 /nfs/dbraw/zinc/96/04/70/441960470.db2.gz RPGLYPJIUSQCNQ-CYBMUJFWSA-N 1 0 334.420 1.835 20 70 EDIDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)o1 ZINC000161402301 441996258 /nfs/dbraw/zinc/99/62/58/441996258.db2.gz DXHJLBBOMVADQL-GFCCVEGCSA-N 1 0 330.388 1.984 20 70 EDIDRO COC(=O)Cn1cc(CC[NH+]2CCN(c3ccccc3C)CC2)nn1 ZINC000161417003 441998109 /nfs/dbraw/zinc/99/81/09/441998109.db2.gz ZXEINNQTBKPAJF-UHFFFAOYSA-N 1 0 343.431 1.124 20 70 EDIDRO C[N@H+](CCNC(=O)CNC(=O)c1cccnc1)Cc1ccccc1 ZINC000161450846 442000902 /nfs/dbraw/zinc/00/09/02/442000902.db2.gz BGNKZLOITLYGSB-UHFFFAOYSA-N 1 0 326.400 1.060 20 70 EDIDRO Cc1ccc(N2CCC[C@H](NC(=O)CC3CC[NH2+]CC3)C2=O)cc1 ZINC000161318205 441984745 /nfs/dbraw/zinc/98/47/45/441984745.db2.gz KGDINRNEUIHVNN-KRWDZBQOSA-N 1 0 329.444 1.996 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000161330792 441985714 /nfs/dbraw/zinc/98/57/14/441985714.db2.gz PIBNYPDQEIXJSK-AWEZNQCLSA-N 1 0 334.416 1.877 20 70 EDIDRO C[C@@H]([NH3+])C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000161330734 441986077 /nfs/dbraw/zinc/98/60/77/441986077.db2.gz MYMYZYCGJSXJEI-CQSZACIVSA-N 1 0 329.444 1.763 20 70 EDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-c3ccncc3)[nH]c2=O)[C@@H](C)C1 ZINC000161348198 441988581 /nfs/dbraw/zinc/98/85/81/441988581.db2.gz RJYYHRGMBDOSJS-GUYCJALGSA-N 1 0 340.427 1.895 20 70 EDIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000161487748 442004552 /nfs/dbraw/zinc/00/45/52/442004552.db2.gz BQCMAHLXMFYKSV-ZDUSSCGKSA-N 1 0 339.871 1.955 20 70 EDIDRO C[C@H](C(=O)NCC1([NH3+])CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000159712727 486611915 /nfs/dbraw/zinc/61/19/15/486611915.db2.gz NCRUEBQLAUNOOF-GFCCVEGCSA-N 1 0 342.436 1.766 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2cccc(NC(=O)C3CC3)c2)C1 ZINC000161504827 486644633 /nfs/dbraw/zinc/64/46/33/486644633.db2.gz ZMAINZCHRAQONM-ZIAGYGMSSA-N 1 0 331.416 1.800 20 70 EDIDRO O=C(CCCNC(=O)c1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159930813 534352072 /nfs/dbraw/zinc/35/20/72/534352072.db2.gz STWURRNGUTZSGN-KRWDZBQOSA-N 1 0 347.459 1.160 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000160083095 534753801 /nfs/dbraw/zinc/75/38/01/534753801.db2.gz VJDSCBAHUQPGBL-UHFFFAOYSA-N 1 0 330.388 1.560 20 70 EDIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878688 528170439 /nfs/dbraw/zinc/17/04/39/528170439.db2.gz HATOFCJDKLQWPA-RYUDHWBXSA-N 1 0 330.392 1.152 20 70 EDIDRO CC(C)[C@@H](NC(N)=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161483843 528581270 /nfs/dbraw/zinc/58/12/70/528581270.db2.gz QWSUZFQCLMRSET-UYSNPLJNSA-N 1 0 338.496 1.839 20 70 EDIDRO CC(C)Cn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000159428983 528714714 /nfs/dbraw/zinc/71/47/14/528714714.db2.gz JVVNFYMXTFSLNH-OAHLLOKOSA-N 1 0 349.479 1.572 20 70 EDIDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1nocc1C)[NH+]1CCCC1 ZINC000160131115 528852191 /nfs/dbraw/zinc/85/21/91/528852191.db2.gz XQBIZVQOBZETOM-AWEZNQCLSA-N 1 0 336.436 1.938 20 70 EDIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC000160099927 529993901 /nfs/dbraw/zinc/99/39/01/529993901.db2.gz WPENJESTQSRVNV-NSHDSACASA-N 1 0 325.434 1.230 20 70 EDIDRO C[C@H](C(=O)NCc1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161386413 539484687 /nfs/dbraw/zinc/48/46/87/539484687.db2.gz NDDPLQGEEPCHBQ-CQSZACIVSA-N 1 0 330.457 1.970 20 70 EDIDRO COC(=O)c1sccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000160157768 292043842 /nfs/dbraw/zinc/04/38/42/292043842.db2.gz RCPHUALRTGXCAW-LLVKDONJSA-N 1 0 346.474 1.721 20 70 EDIDRO C[NH+](C)[C@@H](CNC(=O)CN1CCCC2(C1)OCCO2)c1ccccc1 ZINC000159397992 225209809 /nfs/dbraw/zinc/20/98/09/225209809.db2.gz OZGXECQWQLVVKI-KRWDZBQOSA-N 1 0 347.459 1.244 20 70 EDIDRO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159474724 225225288 /nfs/dbraw/zinc/22/52/88/225225288.db2.gz CFFCRKNROARWRZ-HOCLYGCPSA-N 1 0 333.432 1.420 20 70 EDIDRO C[NH+](C)[C@H](CNC(=O)CN1CCc2n[nH]cc2C1)c1ccccc1 ZINC000159597307 225246401 /nfs/dbraw/zinc/24/64/01/225246401.db2.gz NWRHQMOESCKBKL-QGZVFWFLSA-N 1 0 327.432 1.187 20 70 EDIDRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@](C)(O)C2)cc1 ZINC000160207290 225361210 /nfs/dbraw/zinc/36/12/10/225361210.db2.gz UCBZXGJNYAPZTR-SFHVURJKSA-N 1 0 335.448 1.683 20 70 EDIDRO O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000161490827 225636764 /nfs/dbraw/zinc/63/67/64/225636764.db2.gz OBWMZYNTXNNJGH-GWCFXTLKSA-N 1 0 340.807 1.260 20 70 EDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC(N)=O ZINC000160081884 276341806 /nfs/dbraw/zinc/34/18/06/276341806.db2.gz CHEABVHFVQOROP-ZDUSSCGKSA-N 1 0 333.436 1.203 20 70 EDIDRO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000160039319 302920067 /nfs/dbraw/zinc/92/00/67/302920067.db2.gz IVNHLVYPOFJDNE-HNNXBMFYSA-N 1 0 337.464 1.928 20 70 EDIDRO O=C([C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O)N1CC[NH2+]CC1 ZINC000159447960 441813946 /nfs/dbraw/zinc/81/39/46/441813946.db2.gz LHCLINIIYRCEMQ-ZDUSSCGKSA-N 1 0 342.226 1.778 20 70 EDIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000159850321 441842758 /nfs/dbraw/zinc/84/27/58/441842758.db2.gz FLHPNPKRTCJKPP-OLZOCXBDSA-N 1 0 337.468 1.330 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)C1 ZINC000160636751 441904393 /nfs/dbraw/zinc/90/43/93/441904393.db2.gz RCJQMLGOVZJIHT-OCCSQVGLSA-N 1 0 335.835 1.822 20 70 EDIDRO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160641899 441904771 /nfs/dbraw/zinc/90/47/71/441904771.db2.gz OTPRUZFWUHGRNI-RDJZCZTQSA-N 1 0 343.475 1.534 20 70 EDIDRO Cc1ccc(OCCCC(=O)NCCN2CC[NH+](C)CC2)c(C)c1 ZINC000160393618 441876994 /nfs/dbraw/zinc/87/69/94/441876994.db2.gz VRQINCUHEMFAQQ-UHFFFAOYSA-N 1 0 333.476 1.826 20 70 EDIDRO CC(=O)N1CC[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000160825315 441925423 /nfs/dbraw/zinc/92/54/23/441925423.db2.gz BVXUYWYWTFDREN-IRXDYDNUSA-N 1 0 338.496 1.617 20 70 EDIDRO Cc1cc(C)nc(SCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000160477479 441887375 /nfs/dbraw/zinc/88/73/75/441887375.db2.gz ABFBASRTHULQPW-CQSZACIVSA-N 1 0 338.477 1.149 20 70 EDIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ncn(-c4ccccc4)n3)CC[C@@H]21 ZINC000160487028 441888126 /nfs/dbraw/zinc/88/81/26/441888126.db2.gz KERRJHVNPPJWBC-ZBFHGGJFSA-N 1 0 325.416 1.824 20 70 EDIDRO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NC1CC[NH+](C)CC1)CC2 ZINC000161231218 441975141 /nfs/dbraw/zinc/97/51/41/441975141.db2.gz PRMKTZGKUJUDJN-CABCVRRESA-N 1 0 325.453 1.042 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000160977943 441943041 /nfs/dbraw/zinc/94/30/41/441943041.db2.gz LMVNWGRCQHOTNW-GJZGRUSLSA-N 1 0 326.462 1.704 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@@H](C)C1 ZINC000161083054 441954051 /nfs/dbraw/zinc/95/40/51/441954051.db2.gz CVGRGLMGCDDSBT-LLVKDONJSA-N 1 0 325.434 1.313 20 70 EDIDRO COc1cccc(N2CCC[C@H](NC(=O)[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000161094481 441956319 /nfs/dbraw/zinc/95/63/19/441956319.db2.gz BMHIQEQLYCRKAC-BBRMVZONSA-N 1 0 331.416 1.306 20 70 EDIDRO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000161384509 441993983 /nfs/dbraw/zinc/99/39/83/441993983.db2.gz ZNXYEGIWVIPQGU-UHFFFAOYSA-N 1 0 342.461 1.068 20 70 EDIDRO COc1ccc(CCCC(=O)NC[C@](C)(O)C[NH+](C)C)c(OC)c1 ZINC000161415171 441996653 /nfs/dbraw/zinc/99/66/53/441996653.db2.gz FKFLHYXIQFEUKM-SFHVURJKSA-N 1 0 338.448 1.455 20 70 EDIDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161417068 441997609 /nfs/dbraw/zinc/99/76/09/441997609.db2.gz XXRKRTBLDIBKQE-UHFFFAOYSA-N 1 0 346.880 1.631 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000161486289 442004385 /nfs/dbraw/zinc/00/43/85/442004385.db2.gz NRGXOASTWFZIKC-UONOGXRCSA-N 1 0 334.468 1.452 20 70 EDIDRO NC(=O)c1cccc(OCCC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159879067 534498618 /nfs/dbraw/zinc/49/86/18/534498618.db2.gz RSPNXUVQVMTUNC-UHFFFAOYSA-N 1 0 345.443 1.545 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160156272 534755950 /nfs/dbraw/zinc/75/59/50/534755950.db2.gz YWXUDWNVTKAMQH-UHFFFAOYSA-N 1 0 342.399 1.834 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000159580103 529027888 /nfs/dbraw/zinc/02/78/88/529027888.db2.gz PPRWLOAJCYOTKA-UHFFFAOYSA-N 1 0 332.448 1.626 20 70 EDIDRO CCOC(=O)NCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000159553758 529070835 /nfs/dbraw/zinc/07/08/35/529070835.db2.gz ZILRBBBOFWYLJO-CABCVRRESA-N 1 0 325.453 1.986 20 70 EDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000159361029 579046413 /nfs/dbraw/zinc/04/64/13/579046413.db2.gz NUPUBYXOIPDLBM-AWEZNQCLSA-N 1 0 345.403 1.244 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1CC ZINC000159519708 529697308 /nfs/dbraw/zinc/69/73/08/529697308.db2.gz HNEDLIMKFWHSNB-CHWSQXEVSA-N 1 0 349.479 1.567 20 70 EDIDRO CN(C)c1ccnc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000159453256 529796797 /nfs/dbraw/zinc/79/67/97/529796797.db2.gz BNOVDNOIKBHWPW-MSOLQXFVSA-N 1 0 346.475 1.645 20 70 EDIDRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159679531 533207827 /nfs/dbraw/zinc/20/78/27/533207827.db2.gz PTWSTTASHGLCBT-YDHLFZDLSA-N 1 0 334.416 1.713 20 70 EDIDRO COc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3C[NH3+])n2)cc1 ZINC000160350713 286265416 /nfs/dbraw/zinc/26/54/16/286265416.db2.gz RHDZXGDXILUNHV-ZDUSSCGKSA-N 1 0 330.388 1.628 20 70 EDIDRO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159730066 225268252 /nfs/dbraw/zinc/26/82/52/225268252.db2.gz WMUOXEBYQSDXDF-XUJVJEKNSA-N 1 0 337.395 1.955 20 70 EDIDRO Cc1nn(C)c(C)c1-c1cc(C(=O)NCC2([NH3+])CCCCC2)[nH]n1 ZINC000159759528 225272526 /nfs/dbraw/zinc/27/25/26/225272526.db2.gz AFVOMEWJJJTFIV-UHFFFAOYSA-N 1 0 330.436 1.818 20 70 EDIDRO Cn1cc(CN[C@@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000159798515 225280130 /nfs/dbraw/zinc/28/01/30/225280130.db2.gz FFFXMVMVNIFOME-LLVKDONJSA-N 1 0 330.285 1.894 20 70 EDIDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000160014450 225320414 /nfs/dbraw/zinc/32/04/14/225320414.db2.gz ZEHWUUFSBSQJSB-UHFFFAOYSA-N 1 0 341.415 1.330 20 70 EDIDRO O=C(C[C@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000159677369 225258614 /nfs/dbraw/zinc/25/86/14/225258614.db2.gz CPGYVRNTRMOZIO-OAHLLOKOSA-N 1 0 335.835 1.653 20 70 EDIDRO C[NH+](C)CCn1ccc(NC(=O)c2csc(S(C)(=O)=O)c2)n1 ZINC000160107113 225338569 /nfs/dbraw/zinc/33/85/69/225338569.db2.gz MOHDPIFSAWHVFN-UHFFFAOYSA-N 1 0 342.446 1.162 20 70 EDIDRO CCc1ccccc1N1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000159807931 267496844 /nfs/dbraw/zinc/49/68/44/267496844.db2.gz CFNAWQABSYMQJC-YESZJQIVSA-N 1 0 341.455 1.955 20 70 EDIDRO CCC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160141647 267500277 /nfs/dbraw/zinc/50/02/77/267500277.db2.gz GHLXVTWLFRQQTC-FUHWJXTLSA-N 1 0 347.459 1.217 20 70 EDIDRO Cn1ccnc1Sc1ncc(C(=O)NCCC[NH3+])cc1Cl ZINC000160083773 267500636 /nfs/dbraw/zinc/50/06/36/267500636.db2.gz FSVYURLAKDPCML-UHFFFAOYSA-N 1 0 325.825 1.698 20 70 EDIDRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160252963 280092661 /nfs/dbraw/zinc/09/26/61/280092661.db2.gz QGCOXGOYLKSAAR-XYPHTWIQSA-N 1 0 329.444 1.546 20 70 EDIDRO Cc1cc(C(=O)N2CC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000159425347 441810976 /nfs/dbraw/zinc/81/09/76/441810976.db2.gz BTHZYKULOMRKRZ-UHFFFAOYSA-N 1 0 349.232 1.989 20 70 EDIDRO COC(=O)Cn1cc(CCN2CCC[C@H]([NH+]3CCCCCC3)C2)nn1 ZINC000160089696 441858372 /nfs/dbraw/zinc/85/83/72/441858372.db2.gz HSZWENUFVMILNS-KRWDZBQOSA-N 1 0 349.479 1.334 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](C)CCN(C)c2ccccc2)nn1 ZINC000160087091 441858428 /nfs/dbraw/zinc/85/84/28/441858428.db2.gz XJUXVANBOAEUHZ-UHFFFAOYSA-N 1 0 331.420 1.062 20 70 EDIDRO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159632039 441826557 /nfs/dbraw/zinc/82/65/57/441826557.db2.gz FPRANDBENKCAIX-HUUCEWRRSA-N 1 0 340.464 1.533 20 70 EDIDRO Cc1nn(C)c2nc(C)cc(C(=O)NCC3CC[NH+](CCO)CC3)c12 ZINC000160620035 441903794 /nfs/dbraw/zinc/90/37/94/441903794.db2.gz HKXNLFCYZMYNFP-UHFFFAOYSA-N 1 0 345.447 1.019 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000160667068 441906535 /nfs/dbraw/zinc/90/65/35/441906535.db2.gz BUMQLJVTYFNCMH-CYBMUJFWSA-N 1 0 336.436 1.721 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)C1 ZINC000160808588 441922665 /nfs/dbraw/zinc/92/26/65/441922665.db2.gz WIJOCNSUMOGSEL-UWWQBHOKSA-N 1 0 345.443 1.425 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000160448723 441884279 /nfs/dbraw/zinc/88/42/79/441884279.db2.gz BSPQZGUGFSAKFM-MRXNPFEDSA-N 1 0 346.406 1.588 20 70 EDIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000160535182 441894107 /nfs/dbraw/zinc/89/41/07/441894107.db2.gz LQKZPYYQLIHFEF-NSHDSACASA-N 1 0 329.326 1.923 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000160555415 441896629 /nfs/dbraw/zinc/89/66/29/441896629.db2.gz HANYIAPJEPMKLS-OAHLLOKOSA-N 1 0 347.459 1.677 20 70 EDIDRO O=C(CCn1ccc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160554485 441896657 /nfs/dbraw/zinc/89/66/57/441896657.db2.gz DTHMLNIBGVQXMV-QGZVFWFLSA-N 1 0 329.444 1.994 20 70 EDIDRO CCC[N@H+](CCO)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000161208166 441972500 /nfs/dbraw/zinc/97/25/00/441972500.db2.gz OBLMHTUCOLIHKQ-UHFFFAOYSA-N 1 0 330.812 1.417 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 ZINC000161057435 441951467 /nfs/dbraw/zinc/95/14/67/441951467.db2.gz UBFAYWJQELLCPE-UHFFFAOYSA-N 1 0 345.422 1.927 20 70 EDIDRO COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)c1 ZINC000161079134 441954154 /nfs/dbraw/zinc/95/41/54/441954154.db2.gz KXSGBCDEAGTIMJ-AEFFLSMTSA-N 1 0 326.396 1.701 20 70 EDIDRO COc1cccc(N2CCC[C@@H](NC(=O)[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000161094633 441956468 /nfs/dbraw/zinc/95/64/68/441956468.db2.gz BMHIQEQLYCRKAC-XJKSGUPXSA-N 1 0 331.416 1.306 20 70 EDIDRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161152958 441963889 /nfs/dbraw/zinc/96/38/89/441963889.db2.gz OERJXPRKIPMABY-JVPBZIDWSA-N 1 0 343.471 1.805 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161460963 442001388 /nfs/dbraw/zinc/00/13/88/442001388.db2.gz XSWZDKCWLYLILH-STQMWFEESA-N 1 0 341.864 1.642 20 70 EDIDRO CS(=O)(=O)NCC[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161285954 441980453 /nfs/dbraw/zinc/98/04/53/441980453.db2.gz KBNJUHAEEYYPDJ-MRXNPFEDSA-N 1 0 331.526 1.656 20 70 EDIDRO COc1cccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)c1 ZINC000159863514 533715878 /nfs/dbraw/zinc/71/58/78/533715878.db2.gz HNGIRJSXQQLTDQ-AEFFLSMTSA-N 1 0 335.448 1.854 20 70 EDIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159363414 536447947 /nfs/dbraw/zinc/44/79/47/536447947.db2.gz WXXFOOBOQLRNAG-MNOVXSKESA-N 1 0 341.358 1.365 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1CC ZINC000160352250 529696127 /nfs/dbraw/zinc/69/61/27/529696127.db2.gz PYESIIKHSMQDPC-QWHCGFSZSA-N 1 0 347.463 1.273 20 70 EDIDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H]1CCC[C@@H]1O ZINC000159813789 529895417 /nfs/dbraw/zinc/89/54/17/529895417.db2.gz ITRONBMNJWCDKG-PBHICJAKSA-N 1 0 341.473 1.952 20 70 EDIDRO Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000216955878 139020515 /nfs/dbraw/zinc/02/05/15/139020515.db2.gz PVDCAPMTZARGIF-UHFFFAOYSA-N 1 0 345.365 1.938 20 70 EDIDRO C[C@]1(O)CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000159798944 225280446 /nfs/dbraw/zinc/28/04/46/225280446.db2.gz KLSBAZDHTTVSSC-HKUYNNGSSA-N 1 0 347.459 1.444 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000159996611 225316572 /nfs/dbraw/zinc/31/65/72/225316572.db2.gz FKCLTAHVHBNKQS-SFHVURJKSA-N 1 0 342.443 1.508 20 70 EDIDRO CCS(=O)(=O)CCN(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000159666226 225257004 /nfs/dbraw/zinc/25/70/04/225257004.db2.gz KCDMGDHOWOLRSM-UHFFFAOYSA-N 1 0 341.477 1.324 20 70 EDIDRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258715 225373015 /nfs/dbraw/zinc/37/30/15/225373015.db2.gz PQHVFVSIWWTWSQ-QGZVFWFLSA-N 1 0 340.427 1.841 20 70 EDIDRO O[C@H](COC1CCOCC1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160311837 225385204 /nfs/dbraw/zinc/38/52/04/225385204.db2.gz FWRRFICUPVLZLO-AWEZNQCLSA-N 1 0 326.462 1.427 20 70 EDIDRO CCOC(=O)CCc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000160491520 272929819 /nfs/dbraw/zinc/92/98/19/272929819.db2.gz OMKBVHXHTAGPTM-MRXNPFEDSA-N 1 0 334.416 1.889 20 70 EDIDRO CCCNC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161350711 272930699 /nfs/dbraw/zinc/93/06/99/272930699.db2.gz XZJULBWEAWLVIZ-INIZCTEOSA-N 1 0 332.448 1.971 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000160950603 276704494 /nfs/dbraw/zinc/70/44/94/276704494.db2.gz RRBCZNHNWDNDQT-AWEZNQCLSA-N 1 0 348.447 1.961 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000161249400 277285040 /nfs/dbraw/zinc/28/50/40/277285040.db2.gz SJXUPAXUNPGIHH-OAHLLOKOSA-N 1 0 329.400 1.160 20 70 EDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(N2CCNC2=O)ccc1F ZINC000159491096 441816185 /nfs/dbraw/zinc/81/61/85/441816185.db2.gz VLFRYMGUOCXXOZ-CYBMUJFWSA-N 1 0 346.406 1.569 20 70 EDIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000160253981 441868562 /nfs/dbraw/zinc/86/85/62/441868562.db2.gz IMJOYYGBTCBJRG-AWEZNQCLSA-N 1 0 331.420 1.385 20 70 EDIDRO CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159994910 441852716 /nfs/dbraw/zinc/85/27/16/441852716.db2.gz OBGKXKSHYKBTLT-KSZLIROESA-N 1 0 343.471 1.867 20 70 EDIDRO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000160081455 441856727 /nfs/dbraw/zinc/85/67/27/441856727.db2.gz PSPHAHZATAKFTQ-JTQLQIEISA-N 1 0 327.425 1.739 20 70 EDIDRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CCC(C)(C)CC1 ZINC000160600371 441900944 /nfs/dbraw/zinc/90/09/44/441900944.db2.gz OZSPTBMCJAXCHB-HNNXBMFYSA-N 1 0 344.521 1.828 20 70 EDIDRO O=C(NCCCC[NH+]1CCOCC1)c1cccc(-c2nc[nH]n2)c1 ZINC000160681761 441908356 /nfs/dbraw/zinc/90/83/56/441908356.db2.gz UAFQPRTUPBZSDP-UHFFFAOYSA-N 1 0 329.404 1.314 20 70 EDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160419490 441880937 /nfs/dbraw/zinc/88/09/37/441880937.db2.gz CCJNSUPFYGYUBU-CQSZACIVSA-N 1 0 337.468 1.714 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)c1nc2ncc(Br)cn2n1 ZINC000160476189 441887557 /nfs/dbraw/zinc/88/75/57/441887557.db2.gz ZISBGMFIJDLZFI-UHFFFAOYSA-N 1 0 341.213 1.134 20 70 EDIDRO CCOC(=O)CCc1ccc(NC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000160493986 441888641 /nfs/dbraw/zinc/88/86/41/441888641.db2.gz ZSPZEEGRYZCLIU-UHFFFAOYSA-N 1 0 334.416 1.889 20 70 EDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160818636 441925728 /nfs/dbraw/zinc/92/57/28/441925728.db2.gz BZPIWDMGVBFXLC-LBPRGKRZSA-N 1 0 347.385 1.921 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000160563616 441897993 /nfs/dbraw/zinc/89/79/93/441897993.db2.gz CVOFZAPBQNOAOV-XPKDYRNWSA-N 1 0 326.462 1.796 20 70 EDIDRO COc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1NC(C)=O ZINC000160596642 441899958 /nfs/dbraw/zinc/89/99/58/441899958.db2.gz MUGVFOHMZSRFHA-VIFPVBQESA-N 1 0 347.337 1.983 20 70 EDIDRO COCCC1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000161194782 441970119 /nfs/dbraw/zinc/97/01/19/441970119.db2.gz FYCQJJMQAMNXOC-CALCHBBNSA-N 1 0 337.508 1.820 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000161205926 441971937 /nfs/dbraw/zinc/97/19/37/441971937.db2.gz ZKNYOHJPYAOAGK-OAHLLOKOSA-N 1 0 342.399 1.702 20 70 EDIDRO C[NH+](C)[C@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000161214261 441973858 /nfs/dbraw/zinc/97/38/58/441973858.db2.gz RMCDONPMRYFXMZ-QGZVFWFLSA-N 1 0 327.428 1.917 20 70 EDIDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160966884 441941440 /nfs/dbraw/zinc/94/14/40/441941440.db2.gz GHHXSHSFMMLXIO-GFCCVEGCSA-N 1 0 327.450 1.623 20 70 EDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(NC(N)=O)CC1 ZINC000160979942 441943164 /nfs/dbraw/zinc/94/31/64/441943164.db2.gz ZJICUIVRLWPLKH-HNNXBMFYSA-N 1 0 339.484 1.339 20 70 EDIDRO [NH3+]CC1(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCCC1 ZINC000161004334 441945492 /nfs/dbraw/zinc/94/54/92/441945492.db2.gz ZOTVHUDYXQIJDQ-UHFFFAOYSA-N 1 0 333.407 1.516 20 70 EDIDRO COCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)nc1C ZINC000161174402 441967301 /nfs/dbraw/zinc/96/73/01/441967301.db2.gz FNEYCRPLNPTZDS-UHFFFAOYSA-N 1 0 328.416 1.760 20 70 EDIDRO CC[N@H+](C)Cc1cccc(CNC(=O)CNC(=O)c2cccnc2)c1 ZINC000161173543 441967696 /nfs/dbraw/zinc/96/76/96/441967696.db2.gz BRGKLZWVOMXPBE-UHFFFAOYSA-N 1 0 340.427 1.580 20 70 EDIDRO CC(C)(CNC(=O)CCCNC(=O)c1cccnc1)[NH+]1CCCCC1 ZINC000161410154 441996351 /nfs/dbraw/zinc/99/63/51/441996351.db2.gz JDRULKGUZDRDEC-UHFFFAOYSA-N 1 0 346.475 1.972 20 70 EDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000161431520 441998878 /nfs/dbraw/zinc/99/88/78/441998878.db2.gz LOJQFOAQGVEBNN-CYBMUJFWSA-N 1 0 344.452 1.539 20 70 EDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000161449820 442000253 /nfs/dbraw/zinc/00/02/53/442000253.db2.gz QPCNTSODAOLRDT-MRXNPFEDSA-N 1 0 326.462 1.156 20 70 EDIDRO Cc1ccc([C@@H](NC(=O)[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161267088 441979909 /nfs/dbraw/zinc/97/99/09/441979909.db2.gz RRIHYWBSVSPSBV-CXAGYDPISA-N 1 0 346.452 1.951 20 70 EDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000161324615 441986285 /nfs/dbraw/zinc/98/62/85/441986285.db2.gz ARVCQIGUMVFYSK-HIFRSBDPSA-N 1 0 328.420 1.185 20 70 EDIDRO Cc1c(C)c(C)c(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)c1C ZINC000160819256 486639188 /nfs/dbraw/zinc/63/91/88/486639188.db2.gz LUHJNSCTLWCGDI-CVEARBPZSA-N 1 0 340.489 1.965 20 70 EDIDRO C[C@@H]1CCC[C@@](CNC(=O)CNC(=O)c2cccnc2)([NH+](C)C)C1 ZINC000160344183 533796923 /nfs/dbraw/zinc/79/69/23/533796923.db2.gz OCQKSLYRMZMALW-RDTXWAMCSA-N 1 0 332.448 1.438 20 70 EDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)CC2 ZINC000160440655 534703056 /nfs/dbraw/zinc/70/30/56/534703056.db2.gz WGJGQXLHZSDZKY-CABZTGNLSA-N 1 0 339.241 1.539 20 70 EDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159540398 527847403 /nfs/dbraw/zinc/84/74/03/527847403.db2.gz QBCUHSNVGUNXOY-IAGOWNOFSA-N 1 0 344.459 1.774 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160460396 527978030 /nfs/dbraw/zinc/97/80/30/527978030.db2.gz XPGBYGQPEAMJLY-CQSZACIVSA-N 1 0 330.432 1.717 20 70 EDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160974936 528553187 /nfs/dbraw/zinc/55/31/87/528553187.db2.gz XUWIKNRDJMIURY-ZBFHGGJFSA-N 1 0 333.432 1.156 20 70 EDIDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000159791785 528819918 /nfs/dbraw/zinc/81/99/18/528819918.db2.gz VHNPPTOJWBRRQP-AWEZNQCLSA-N 1 0 339.461 1.391 20 70 EDIDRO CCS(=O)(=O)c1ccc(CC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159539192 529153613 /nfs/dbraw/zinc/15/36/13/529153613.db2.gz MGUDRXWBBILEIA-UHFFFAOYSA-N 1 0 338.473 1.801 20 70 EDIDRO CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000160160650 529943909 /nfs/dbraw/zinc/94/39/09/529943909.db2.gz HUJWXCFZZKQEEO-HNNXBMFYSA-N 1 0 339.461 1.232 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1SCCc2ccccc21 ZINC000160346288 283967177 /nfs/dbraw/zinc/96/71/77/283967177.db2.gz MHOVSQNYNDAQTN-WBVHZDCISA-N 1 0 334.485 1.980 20 70 EDIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286966 139020656 /nfs/dbraw/zinc/02/06/56/139020656.db2.gz JMEIZIRQFSGKHL-INIZCTEOSA-N 1 0 332.448 1.429 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1 ZINC000160792509 532968646 /nfs/dbraw/zinc/96/86/46/532968646.db2.gz JOPIPMKPDVKIOQ-CQSZACIVSA-N 1 0 339.461 1.149 20 70 EDIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159432931 225216387 /nfs/dbraw/zinc/21/63/87/225216387.db2.gz PCXRYTCFRGQMGG-ZDUSSCGKSA-N 1 0 331.420 1.454 20 70 EDIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H](O)c1ccsc1 ZINC000159669289 225258249 /nfs/dbraw/zinc/25/82/49/225258249.db2.gz RQRZGOBEIPLJDV-HNNXBMFYSA-N 1 0 338.473 1.933 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000160261170 225372880 /nfs/dbraw/zinc/37/28/80/225372880.db2.gz DGKVLFPITMDSJF-GFCCVEGCSA-N 1 0 336.436 1.722 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000160260732 225373460 /nfs/dbraw/zinc/37/34/60/225373460.db2.gz OBZAISDEIMBAED-UHFFFAOYSA-N 1 0 336.436 1.863 20 70 EDIDRO O=C(C[C@@H]1OCCc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160134939 225345455 /nfs/dbraw/zinc/34/54/55/225345455.db2.gz MBFUXWVFZAVLRG-AEFFLSMTSA-N 1 0 332.444 1.654 20 70 EDIDRO COC(=O)CCc1nnc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])s1 ZINC000159460753 267494599 /nfs/dbraw/zinc/49/45/99/267494599.db2.gz BQFGCADOJRLIQM-MNOVXSKESA-N 1 0 340.449 1.880 20 70 EDIDRO COc1ccc(O[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160302059 267498811 /nfs/dbraw/zinc/49/88/11/267498811.db2.gz LLGWTOXLRLTFKZ-HUUCEWRRSA-N 1 0 336.432 1.426 20 70 EDIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000161060606 272930416 /nfs/dbraw/zinc/93/04/16/272930416.db2.gz CQIHKEZUXUQDAE-OAHLLOKOSA-N 1 0 333.432 1.469 20 70 EDIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000160314898 295269836 /nfs/dbraw/zinc/26/98/36/295269836.db2.gz FQJRUFHWHUFVOD-DOTOQJQBSA-N 1 0 347.434 1.557 20 70 EDIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(O)c(F)c1 ZINC000159556487 441821063 /nfs/dbraw/zinc/82/10/63/441821063.db2.gz YAQMTLKKMDKXEP-CYBMUJFWSA-N 1 0 325.384 1.441 20 70 EDIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC(=O)OC(C)C ZINC000160101923 441858270 /nfs/dbraw/zinc/85/82/70/441858270.db2.gz DKRPNXIGNPERSF-CABCVRRESA-N 1 0 325.453 1.986 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000159666398 441828605 /nfs/dbraw/zinc/82/86/05/441828605.db2.gz ZJMOAUCXBWMCES-ZDUSSCGKSA-N 1 0 346.431 1.816 20 70 EDIDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C2CC2)CC1 ZINC000159841715 441841137 /nfs/dbraw/zinc/84/11/37/441841137.db2.gz QUIQCRUOKJUTHI-OAHLLOKOSA-N 1 0 336.480 1.419 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000160364887 441873928 /nfs/dbraw/zinc/87/39/28/441873928.db2.gz MASHSHALHRCZDW-UHFFFAOYSA-N 1 0 329.400 1.227 20 70 EDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(C1)OCCO2 ZINC000159939573 441849178 /nfs/dbraw/zinc/84/91/78/441849178.db2.gz ZREHGCLEXZJOBG-WBVHZDCISA-N 1 0 345.443 1.665 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cncc(Br)c1 ZINC000160610677 441901927 /nfs/dbraw/zinc/90/19/27/441901927.db2.gz QVUOAZRHSPRZGE-UHFFFAOYSA-N 1 0 342.237 1.278 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000160608590 441902334 /nfs/dbraw/zinc/90/23/34/441902334.db2.gz VKFHTCBTDZDWSO-ZDUSSCGKSA-N 1 0 336.436 1.865 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCc2nccs2)CC[N@@H+]1CCOC ZINC000160618777 441902354 /nfs/dbraw/zinc/90/23/54/441902354.db2.gz GIDNIBULBLHXIR-CYBMUJFWSA-N 1 0 326.466 1.785 20 70 EDIDRO COCCCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160818320 441923906 /nfs/dbraw/zinc/92/39/06/441923906.db2.gz DMHJDEGRDVJDAZ-HNNXBMFYSA-N 1 0 327.469 1.698 20 70 EDIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000160433498 441881528 /nfs/dbraw/zinc/88/15/28/441881528.db2.gz POKJNWQXHHQNFG-BXKDBHETSA-N 1 0 328.796 1.116 20 70 EDIDRO Cn1nccc1/C=C/C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160507930 441891857 /nfs/dbraw/zinc/89/18/57/441891857.db2.gz NDFWSNOPFOMXNM-YMPXZSTISA-N 1 0 332.448 1.317 20 70 EDIDRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)[NH3+])CC2)cc1 ZINC000161254465 441976927 /nfs/dbraw/zinc/97/69/27/441976927.db2.gz SKLRKVXSWOHERC-KBPBESRZSA-N 1 0 333.432 1.034 20 70 EDIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000161250396 441976942 /nfs/dbraw/zinc/97/69/42/441976942.db2.gz LXSNTMFIOUQZEU-IXDOHACOSA-N 1 0 345.443 1.048 20 70 EDIDRO Cn1ccnc1N1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000160922232 441936934 /nfs/dbraw/zinc/93/69/34/441936934.db2.gz UTUYMDPNGAEMHM-UHFFFAOYSA-N 1 0 347.507 1.827 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1C ZINC000160958183 441940133 /nfs/dbraw/zinc/94/01/33/441940133.db2.gz POEIFMQCYFKYIS-KZULUSFZSA-N 1 0 334.464 1.637 20 70 EDIDRO OCC1(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)COC1 ZINC000161048878 441949684 /nfs/dbraw/zinc/94/96/84/441949684.db2.gz LGHRWBSWNFDYCL-KGLIPLIRSA-N 1 0 331.334 1.822 20 70 EDIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1 ZINC000161088302 441955565 /nfs/dbraw/zinc/95/55/65/441955565.db2.gz WRDBXVKASBYHBD-AWEZNQCLSA-N 1 0 347.459 1.926 20 70 EDIDRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)CCC[NH2+]C1 ZINC000161445581 442001084 /nfs/dbraw/zinc/00/10/84/442001084.db2.gz QQNAKJFMGJGQJP-GOSISDBHSA-N 1 0 331.416 1.066 20 70 EDIDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161304285 441983640 /nfs/dbraw/zinc/98/36/40/441983640.db2.gz ZPRIEKSVEAZJRK-KRWDZBQOSA-N 1 0 346.406 1.439 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000161315539 441984497 /nfs/dbraw/zinc/98/44/97/441984497.db2.gz XOIJMQOFSIXJFD-RISCZKNCSA-N 1 0 337.370 1.528 20 70 EDIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000161329286 441986529 /nfs/dbraw/zinc/98/65/29/441986529.db2.gz NMODVVSUPCXOJA-KBPBESRZSA-N 1 0 335.473 1.392 20 70 EDIDRO Cc1nc(C)c(CCC(=O)N[C@@H]2CCN(c3ccccn3)C2)c(=O)[nH]1 ZINC000161340157 441987386 /nfs/dbraw/zinc/98/73/86/441987386.db2.gz CLWIKRFOISLVRU-CQSZACIVSA-N 1 0 341.415 1.109 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 ZINC000161332158 441987930 /nfs/dbraw/zinc/98/79/30/441987930.db2.gz YPPZUHCZAIAGCO-VBROQKIQSA-N 1 0 332.400 1.690 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000161355312 441990004 /nfs/dbraw/zinc/99/00/04/441990004.db2.gz FVODHPMDIAYLRH-VNHYZAJKSA-N 1 0 332.448 1.811 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)CCCc2ccccc2)C1 ZINC000161495527 486644558 /nfs/dbraw/zinc/64/45/58/486644558.db2.gz IBVJQRIECIZQKN-HZPDHXFCSA-N 1 0 338.473 1.420 20 70 EDIDRO C[C@@H](Oc1cccnc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160377337 533980516 /nfs/dbraw/zinc/98/05/16/533980516.db2.gz SHXRLWFVPKMBKG-OLMNPRSZSA-N 1 0 347.459 1.733 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000160084120 534756231 /nfs/dbraw/zinc/75/62/31/534756231.db2.gz ZQARQFFNBRWLBL-UHFFFAOYSA-N 1 0 342.399 1.834 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000159442339 528023680 /nfs/dbraw/zinc/02/36/80/528023680.db2.gz NGLXHKFFZGQFMF-OAHLLOKOSA-N 1 0 346.475 1.785 20 70 EDIDRO CC[NH+](CC)[C@H](CNC(=O)C1(NC(N)=O)CC1)Cc1ccccc1 ZINC000160103508 528268945 /nfs/dbraw/zinc/26/89/45/528268945.db2.gz GUKHBEIYIACWKH-HNNXBMFYSA-N 1 0 332.448 1.257 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2cccc(NC(C)=O)c2)CC1 ZINC000159821760 529024131 /nfs/dbraw/zinc/02/41/31/529024131.db2.gz KWIAQETVKZWLKA-UHFFFAOYSA-N 1 0 348.447 1.761 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000159717759 529027794 /nfs/dbraw/zinc/02/77/94/529027794.db2.gz SMMHUVBYGDDRSY-UHFFFAOYSA-N 1 0 342.447 1.813 20 70 EDIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160135745 529442103 /nfs/dbraw/zinc/44/21/03/529442103.db2.gz KSSMYGTUIPHNKS-NWDGAFQWSA-N 1 0 345.321 1.544 20 70 EDIDRO CN(C)c1nc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ns1 ZINC000160079496 529802289 /nfs/dbraw/zinc/80/22/89/529802289.db2.gz MUWXSGQHCAPQEN-AWEZNQCLSA-N 1 0 338.525 1.206 20 70 EDIDRO C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CCC[C@@H]1O ZINC000159865616 529926331 /nfs/dbraw/zinc/92/63/31/529926331.db2.gz RBBUEXHSISNIAD-CJNGLKHVSA-N 1 0 327.446 1.562 20 70 EDIDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161230816 540031903 /nfs/dbraw/zinc/03/19/03/540031903.db2.gz WOMLSFNOKQONAV-LBPRGKRZSA-N 1 0 348.490 1.152 20 70 EDIDRO CSCC[C@@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160963073 138641880 /nfs/dbraw/zinc/64/18/80/138641880.db2.gz DOMKBVWCRYZRIE-LSDHHAIUSA-N 1 0 331.526 1.910 20 70 EDIDRO COc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000160350388 533459033 /nfs/dbraw/zinc/45/90/33/533459033.db2.gz BDMVHFYSNRCQJC-OAHLLOKOSA-N 1 0 338.423 1.730 20 70 EDIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ncccn1 ZINC000159912671 533501332 /nfs/dbraw/zinc/50/13/32/533501332.db2.gz TWAYNCMYQGSKLR-QWHCGFSZSA-N 1 0 337.387 1.735 20 70 EDIDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159831613 225286509 /nfs/dbraw/zinc/28/65/09/225286509.db2.gz KGUXCRQSLBFGEB-IPYPFGDCSA-N 1 0 325.453 1.626 20 70 EDIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160142537 225347058 /nfs/dbraw/zinc/34/70/58/225347058.db2.gz IMLCYLFHWAKBTC-ROUUACIJSA-N 1 0 337.423 1.868 20 70 EDIDRO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)Oc1cccc(F)c1 ZINC000161146550 225558228 /nfs/dbraw/zinc/55/82/28/225558228.db2.gz ZMXCNDOIWUBKIW-GFCCVEGCSA-N 1 0 347.394 1.539 20 70 EDIDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159571493 274356190 /nfs/dbraw/zinc/35/61/90/274356190.db2.gz DRWVQJISDDSUHN-AEFFLSMTSA-N 1 0 330.476 1.894 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000161204247 278088761 /nfs/dbraw/zinc/08/87/61/278088761.db2.gz HYEMXNDTBDCXJF-ABHNRTSZSA-N 1 0 325.497 1.770 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000161270380 282071464 /nfs/dbraw/zinc/07/14/64/282071464.db2.gz CKNGFFJQIWNSPA-QGZVFWFLSA-N 1 0 333.476 1.941 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000160261304 302921599 /nfs/dbraw/zinc/92/15/99/302921599.db2.gz DGKVLFPITMDSJF-LBPRGKRZSA-N 1 0 336.436 1.722 20 70 EDIDRO C[NH+](C)CCn1ccc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)n1 ZINC000160079334 441857864 /nfs/dbraw/zinc/85/78/64/441857864.db2.gz UMGFJWJSOHLHLK-GJZGRUSLSA-N 1 0 337.468 1.898 20 70 EDIDRO COc1ccc2c(c1)OC[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)C2 ZINC000160115142 441859955 /nfs/dbraw/zinc/85/99/55/441859955.db2.gz NAWJRHDQANSFOE-HZPDHXFCSA-N 1 0 348.443 1.209 20 70 EDIDRO CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160131372 441861641 /nfs/dbraw/zinc/86/16/41/441861641.db2.gz CCNNYZGQCHZGNH-OAHLLOKOSA-N 1 0 346.493 1.610 20 70 EDIDRO O=C(COCCOc1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160169037 441863349 /nfs/dbraw/zinc/86/33/49/441863349.db2.gz RLOVKIUAFOBGPQ-MRXNPFEDSA-N 1 0 336.432 1.045 20 70 EDIDRO O=C(CCCc1ccc2c(c1)CC(=O)N2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160221401 441866844 /nfs/dbraw/zinc/86/68/44/441866844.db2.gz OJMXTQKRIPLAQD-IYBDPMFKSA-N 1 0 327.428 1.857 20 70 EDIDRO O=C(Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1)[C@@H]1CCCO1 ZINC000160300676 441871105 /nfs/dbraw/zinc/87/11/05/441871105.db2.gz VRKXFKUGFJGUNS-BBWFWOEESA-N 1 0 343.427 1.771 20 70 EDIDRO CCCN(CC)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000160323450 441872351 /nfs/dbraw/zinc/87/23/51/441872351.db2.gz XRFVXZNWSUFHGI-QGZVFWFLSA-N 1 0 348.491 1.895 20 70 EDIDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000159943296 441849228 /nfs/dbraw/zinc/84/92/28/441849228.db2.gz KHXKNYHIULZINS-QFBILLFUSA-N 1 0 345.487 1.396 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000160035531 441856159 /nfs/dbraw/zinc/85/61/59/441856159.db2.gz PPFXOPBLLKFJRD-QGZVFWFLSA-N 1 0 328.416 1.449 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1-n1cccn1 ZINC000160710268 441912429 /nfs/dbraw/zinc/91/24/29/441912429.db2.gz USXPBXKGCZZPRF-UHFFFAOYSA-N 1 0 328.416 1.306 20 70 EDIDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1(O)CCCCC1 ZINC000160747098 441916380 /nfs/dbraw/zinc/91/63/80/441916380.db2.gz NXINMBAMUNUHKC-IAGOWNOFSA-N 1 0 332.444 1.433 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000160458111 441886260 /nfs/dbraw/zinc/88/62/60/441886260.db2.gz DCVJEKGBJMFHIQ-AWEZNQCLSA-N 1 0 337.489 1.915 20 70 EDIDRO CC(=O)Nc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160493017 441888184 /nfs/dbraw/zinc/88/81/84/441888184.db2.gz AKPQNLCTGPWYRH-KRWDZBQOSA-N 1 0 333.432 1.151 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](C)CCOc2ccccc2C)nn1 ZINC000160489065 441888349 /nfs/dbraw/zinc/88/83/49/441888349.db2.gz BQAIDTHVAXPHTP-UHFFFAOYSA-N 1 0 332.404 1.313 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000160501397 441889478 /nfs/dbraw/zinc/88/94/78/441889478.db2.gz APLAHWJLEGPSBA-KRWDZBQOSA-N 1 0 345.443 1.390 20 70 EDIDRO C[C@H]1Oc2ccccc2N(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000160511776 441891189 /nfs/dbraw/zinc/89/11/89/441891189.db2.gz ISTMSRAADPCIQQ-MCIONIFRSA-N 1 0 329.400 1.153 20 70 EDIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160594392 441900012 /nfs/dbraw/zinc/90/00/12/441900012.db2.gz CDJMAWDYWIVRQF-CQSZACIVSA-N 1 0 332.510 1.971 20 70 EDIDRO C[C@H](CC1CC1)NC(=O)C[C@]1(C(=O)N[C@@H](C)CC2CC2)CC[NH2+]C1 ZINC000161225934 441974464 /nfs/dbraw/zinc/97/44/64/441974464.db2.gz HZCFDWQXVWHNHE-BIENJYKASA-N 1 0 335.492 1.966 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000160842467 441927669 /nfs/dbraw/zinc/92/76/69/441927669.db2.gz XPYFDASWPQVZPV-FHLIZLRMSA-N 1 0 329.444 1.961 20 70 EDIDRO COC(=O)c1csc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000160941922 441939229 /nfs/dbraw/zinc/93/92/29/441939229.db2.gz KJYAHXXDLRKDJV-UHFFFAOYSA-N 1 0 337.405 1.937 20 70 EDIDRO O=C(CCCNC(=O)c1cccnc1)N1CC[NH+](C2CCCC2)CC1 ZINC000161187212 441968013 /nfs/dbraw/zinc/96/80/13/441968013.db2.gz APUKKWGPWCPSNK-UHFFFAOYSA-N 1 0 344.459 1.678 20 70 EDIDRO Cc1cccc([C@H](CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)NC(N)=O)c1 ZINC000161322007 441984448 /nfs/dbraw/zinc/98/44/48/441984448.db2.gz RTCFICWDAPITLQ-WFVVYAPDSA-N 1 0 344.459 1.836 20 70 EDIDRO C[C@@]1(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCC[NH2+]C1 ZINC000161347950 441988877 /nfs/dbraw/zinc/98/88/77/441988877.db2.gz NQQNUQVAOWQKSD-LJQANCHMSA-N 1 0 345.443 1.416 20 70 EDIDRO CCCC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)C(=O)Nc1cc(C)on1 ZINC000160777919 318423036 /nfs/dbraw/zinc/42/30/36/318423036.db2.gz LEKHNMQUVJUYTK-FRRDWIJNSA-N 1 0 338.408 1.103 20 70 EDIDRO O=C(NCCN1CC[NH2+]CC1)Nc1ccccc1Br ZINC000217272518 485542084 /nfs/dbraw/zinc/54/20/84/485542084.db2.gz ZTDDLZGJMRABQD-UHFFFAOYSA-N 1 0 327.226 1.476 20 70 EDIDRO COc1cc(F)c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1OC ZINC000160162949 533985719 /nfs/dbraw/zinc/98/57/19/533985719.db2.gz KTTAMZVZQNKGHY-OAHLLOKOSA-N 1 0 348.440 1.885 20 70 EDIDRO Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[NH2+]CC2)cc1 ZINC000159365486 534023842 /nfs/dbraw/zinc/02/38/42/534023842.db2.gz OLVHFSLJYMSKSM-KRWDZBQOSA-N 1 0 346.475 1.641 20 70 EDIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159522274 529148131 /nfs/dbraw/zinc/14/81/31/529148131.db2.gz JDSQHSBWDHBOLJ-CQSZACIVSA-N 1 0 329.448 1.566 20 70 EDIDRO CC[C@H](C(=O)NCC(C)(C)[NH3+])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000160083122 529605568 /nfs/dbraw/zinc/60/55/68/529605568.db2.gz QWKCLRGPHHKNKM-GFCCVEGCSA-N 1 0 336.827 1.798 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1CC ZINC000160290480 529696289 /nfs/dbraw/zinc/69/62/89/529696289.db2.gz NWNYBBCFTOVEMP-CYBMUJFWSA-N 1 0 347.463 1.274 20 70 EDIDRO CN(C)c1ccnc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000159453444 529796788 /nfs/dbraw/zinc/79/67/88/529796788.db2.gz BNOVDNOIKBHWPW-ROUUACIJSA-N 1 0 346.475 1.645 20 70 EDIDRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCCC[NH3+])CC1 ZINC000160174904 529997995 /nfs/dbraw/zinc/99/79/95/529997995.db2.gz ZGOATOPZFRAVQY-UHFFFAOYSA-N 1 0 332.448 1.415 20 70 EDIDRO C[C@@H](C(=O)NCc1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161386275 539484856 /nfs/dbraw/zinc/48/48/56/539484856.db2.gz NDDPLQGEEPCHBQ-AWEZNQCLSA-N 1 0 330.457 1.970 20 70 EDIDRO Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000159647302 540012187 /nfs/dbraw/zinc/01/21/87/540012187.db2.gz PBVXRUCZARKFJB-WFASDCNBSA-N 1 0 345.403 1.886 20 70 EDIDRO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000160160426 296320093 /nfs/dbraw/zinc/32/00/93/296320093.db2.gz MENUSYLIQVQUBN-CYBMUJFWSA-N 1 0 339.461 1.328 20 70 EDIDRO COc1ncc(C)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159435698 533201727 /nfs/dbraw/zinc/20/17/27/533201727.db2.gz JQKUXOMEGPRFGN-CQSZACIVSA-N 1 0 348.447 1.431 20 70 EDIDRO NC(=O)NCc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159750209 225270974 /nfs/dbraw/zinc/27/09/74/225270974.db2.gz OZJGXIJMNCLOTJ-UHFFFAOYSA-N 1 0 330.432 1.459 20 70 EDIDRO Cn1cc(CN[C@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000159798391 225280236 /nfs/dbraw/zinc/28/02/36/225280236.db2.gz FFFXMVMVNIFOME-NSHDSACASA-N 1 0 330.285 1.894 20 70 EDIDRO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160336782 225390303 /nfs/dbraw/zinc/39/03/03/225390303.db2.gz HIDKNKKRVGVGBL-ZKKXHLJNSA-N 1 0 332.400 1.392 20 70 EDIDRO Cc1c(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000160150603 225348053 /nfs/dbraw/zinc/34/80/53/225348053.db2.gz KZCVUAUYLFYJKR-UHFFFAOYSA-N 1 0 345.447 1.668 20 70 EDIDRO C[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)N1CC[NH+](C)CC1 ZINC000160156111 225349389 /nfs/dbraw/zinc/34/93/89/225349389.db2.gz UXCIQPHBEVORBY-CYBMUJFWSA-N 1 0 348.472 1.698 20 70 EDIDRO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC[C@@H]([NH3+])C3)C2)c1 ZINC000160205355 225359691 /nfs/dbraw/zinc/35/96/91/225359691.db2.gz KXDQNJHHASAIRU-DOTOQJQBSA-N 1 0 329.444 1.715 20 70 EDIDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000159489442 441816865 /nfs/dbraw/zinc/81/68/65/441816865.db2.gz VVDGDFUVAQZMTQ-CQSZACIVSA-N 1 0 335.452 1.914 20 70 EDIDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000159449014 441813967 /nfs/dbraw/zinc/81/39/67/441813967.db2.gz BVLBDGGHFCMKFA-OAHLLOKOSA-N 1 0 341.459 1.805 20 70 EDIDRO Cc1cnn(-c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)c1 ZINC000160146713 441863264 /nfs/dbraw/zinc/86/32/64/441863264.db2.gz ARZOIAMSZKWQQM-SFHVURJKSA-N 1 0 342.443 1.757 20 70 EDIDRO C[C@@H]1C[C@H](NC(=O)N2CCC3(C2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000160324550 441872217 /nfs/dbraw/zinc/87/22/17/441872217.db2.gz ZQQHXNSCUKDAQK-WBVHZDCISA-N 1 0 345.443 1.808 20 70 EDIDRO O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000159853623 441843658 /nfs/dbraw/zinc/84/36/58/441843658.db2.gz IZQBJOBHGHLMRI-INIZCTEOSA-N 1 0 333.476 1.626 20 70 EDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CCc1ccc(C)cc1 ZINC000160067699 441856613 /nfs/dbraw/zinc/85/66/13/441856613.db2.gz RKIKZPJTFUNDHD-QGZVFWFLSA-N 1 0 331.460 1.644 20 70 EDIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160608694 441902496 /nfs/dbraw/zinc/90/24/96/441902496.db2.gz MVYYRHWFUPAMFU-GFCCVEGCSA-N 1 0 342.871 1.774 20 70 EDIDRO CCn1c2ccccc2n(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1=O ZINC000160697938 441911081 /nfs/dbraw/zinc/91/10/81/441911081.db2.gz XAYOLLQHGUTXOS-OKILXGFUSA-N 1 0 328.416 1.176 20 70 EDIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2c2cc(Cl)nc(N)n2)C[C@H](C)O1 ZINC000160489286 441888914 /nfs/dbraw/zinc/88/89/14/441888914.db2.gz YOIKDFIJDIOJDU-SRVKXCTJSA-N 1 0 325.844 1.790 20 70 EDIDRO CCN1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161207765 441972700 /nfs/dbraw/zinc/97/27/00/441972700.db2.gz JJKLMFVOEWGXHJ-MRXNPFEDSA-N 1 0 345.491 1.954 20 70 EDIDRO CCOc1ccccc1C(=O)NCCCC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161245526 441976383 /nfs/dbraw/zinc/97/63/83/441976383.db2.gz NNKDYNXZVSGBPV-OAHLLOKOSA-N 1 0 347.459 1.806 20 70 EDIDRO O=C(Nc1ccsc1C(=O)N1CCC[NH2+]CC1)c1ccncc1 ZINC000160869503 441930077 /nfs/dbraw/zinc/93/00/77/441930077.db2.gz YJRWHJZMMVDNRX-UHFFFAOYSA-N 1 0 330.413 1.831 20 70 EDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(CCO)CCOC1 ZINC000160946628 441939446 /nfs/dbraw/zinc/93/94/46/441939446.db2.gz USRHHLKAZLAQSK-WMZOPIPTSA-N 1 0 341.496 1.585 20 70 EDIDRO CCc1cc(=O)[nH]c(CN2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000161009478 441946548 /nfs/dbraw/zinc/94/65/48/441946548.db2.gz IALMBHRIYTYYNZ-IJEWVQPXSA-N 1 0 334.464 1.818 20 70 EDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN1CCOCC1 ZINC000161029801 441948822 /nfs/dbraw/zinc/94/88/22/441948822.db2.gz UHJCXTVVOLDSIL-QGZVFWFLSA-N 1 0 340.512 1.471 20 70 EDIDRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000161176234 441966969 /nfs/dbraw/zinc/96/69/69/441966969.db2.gz GAOXZCVYOOYYRP-UONOGXRCSA-N 1 0 342.361 1.966 20 70 EDIDRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@]3(F)CC[NH2+]C3)ccc2NC1=O ZINC000161382837 441993901 /nfs/dbraw/zinc/99/39/01/441993901.db2.gz UCMPCULUBWAEDV-PGQWDYDZSA-N 1 0 335.379 1.675 20 70 EDIDRO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161400876 441996920 /nfs/dbraw/zinc/99/69/20/441996920.db2.gz QMXTZBXEJTVMLP-OAHLLOKOSA-N 1 0 325.416 1.703 20 70 EDIDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1S(=O)(=O)NC1CC1 ZINC000161342099 441987431 /nfs/dbraw/zinc/98/74/31/441987431.db2.gz FHKWMECJOQGKMA-GFCCVEGCSA-N 1 0 337.445 1.374 20 70 EDIDRO CCC[C@H]1CN(C(=O)NCc2cscn2)CC[N@@H+]1CCOC ZINC000161346990 441988626 /nfs/dbraw/zinc/98/86/26/441988626.db2.gz GOHCDCIPGQHZJA-AWEZNQCLSA-N 1 0 326.466 1.785 20 70 EDIDRO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)no1 ZINC000161360026 441990247 /nfs/dbraw/zinc/99/02/47/441990247.db2.gz CUQANQUAQBBMNI-CYBMUJFWSA-N 1 0 344.419 1.729 20 70 EDIDRO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161491570 442006073 /nfs/dbraw/zinc/00/60/73/442006073.db2.gz IEAYUIHMBVGUIQ-DGCLKSJQSA-N 1 0 328.796 1.244 20 70 EDIDRO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160975065 486640985 /nfs/dbraw/zinc/64/09/85/486640985.db2.gz XUWIKNRDJMIURY-GDBMZVCRSA-N 1 0 333.432 1.156 20 70 EDIDRO COc1ccc(Cn2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cn2)cc1 ZINC000161277339 486643614 /nfs/dbraw/zinc/64/36/14/486643614.db2.gz RLDJMSJRXUKRQA-HZPDHXFCSA-N 1 0 328.416 1.940 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000161384420 486644365 /nfs/dbraw/zinc/64/43/65/486644365.db2.gz IGAQJDHCJXNGES-NEPJUHHUSA-N 1 0 330.837 1.500 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000161388255 486644379 /nfs/dbraw/zinc/64/43/79/486644379.db2.gz AHKNOTIQCGSGEL-CABCVRRESA-N 1 0 326.400 1.291 20 70 EDIDRO Cc1onc(-c2ccccn2)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160200094 534597944 /nfs/dbraw/zinc/59/79/44/534597944.db2.gz HOCHTWFYSOHZHE-CQSZACIVSA-N 1 0 344.415 1.622 20 70 EDIDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCCCO1 ZINC000159786490 534682774 /nfs/dbraw/zinc/68/27/74/534682774.db2.gz QSRMTRUDMXWAAJ-GOSISDBHSA-N 1 0 332.444 1.829 20 70 EDIDRO C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160250994 526911774 /nfs/dbraw/zinc/91/17/74/526911774.db2.gz MEWIJFRYYUEFHE-OAHLLOKOSA-N 1 0 343.427 1.076 20 70 EDIDRO CC(C)N1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1=O ZINC000160039067 529065279 /nfs/dbraw/zinc/06/52/79/529065279.db2.gz GGOZGJHIYOHTKF-MRXNPFEDSA-N 1 0 329.444 1.433 20 70 EDIDRO CNC(=O)c1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160143672 529934129 /nfs/dbraw/zinc/93/41/29/529934129.db2.gz FPVCOFSENHVEMH-JEJOPICUSA-N 1 0 345.443 1.022 20 70 EDIDRO C[NH+]1CCC(CCNC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160265591 530049144 /nfs/dbraw/zinc/04/91/44/530049144.db2.gz GCXFXFQSAQISQA-UHFFFAOYSA-N 1 0 330.475 1.613 20 70 EDIDRO C[C@@H](NC(=O)Nc1cccc(-n2ccnn2)c1)[C@@H]1CN(C)CCO1 ZINC000161294130 540032670 /nfs/dbraw/zinc/03/26/70/540032670.db2.gz IJSJKXFOTZNWCJ-DOMZBBRYSA-N 1 0 330.392 1.108 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)C1 ZINC000160562197 283663811 /nfs/dbraw/zinc/66/38/11/283663811.db2.gz ZMHKQYRXYYCLRP-ZIAGYGMSSA-N 1 0 348.422 1.890 20 70 EDIDRO COC(=O)COc1c(C)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159700629 533553106 /nfs/dbraw/zinc/55/31/06/533553106.db2.gz BABRKPAEJMYKEF-GOEBONIOSA-N 1 0 348.443 1.941 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)NCC(=O)OCc1ccccc1Cl ZINC000160090643 533645729 /nfs/dbraw/zinc/64/57/29/533645729.db2.gz HWASZGFCTGLOCG-LBPRGKRZSA-N 1 0 330.837 1.580 20 70 EDIDRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000159615622 225249598 /nfs/dbraw/zinc/24/95/98/225249598.db2.gz LYJBLKNHZGHHTR-GOEBONIOSA-N 1 0 345.443 1.923 20 70 EDIDRO C[NH+](C)CCCC1CCN(C(=O)NCCCN2CCOCC2)CC1 ZINC000159655571 225255620 /nfs/dbraw/zinc/25/56/20/225255620.db2.gz NRXXNIVYQJHGLM-UHFFFAOYSA-N 1 0 340.512 1.472 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ncon2)cc1 ZINC000160300867 225383029 /nfs/dbraw/zinc/38/30/29/225383029.db2.gz ZTMQCWQHPVMCIO-HNNXBMFYSA-N 1 0 330.388 1.313 20 70 EDIDRO COC[C@H](C)[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160372843 225398041 /nfs/dbraw/zinc/39/80/41/225398041.db2.gz DNBIYTYRJNTVMI-GOEBONIOSA-N 1 0 338.448 1.702 20 70 EDIDRO Cn1cnc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1Cl ZINC000160143887 225347694 /nfs/dbraw/zinc/34/76/94/225347694.db2.gz AGYGJXOHPXEBEJ-GFCCVEGCSA-N 1 0 346.884 1.713 20 70 EDIDRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)c1 ZINC000160211691 225361845 /nfs/dbraw/zinc/36/18/45/225361845.db2.gz CTSMHXYEYKXOLH-GOSISDBHSA-N 1 0 335.448 1.683 20 70 EDIDRO NC(=O)CNC(=O)c1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000160950494 225512308 /nfs/dbraw/zinc/51/23/08/225512308.db2.gz MWQLELNVBJHNNC-KRWDZBQOSA-N 1 0 341.386 1.818 20 70 EDIDRO O=C(CCc1cccc(F)c1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160323060 267501851 /nfs/dbraw/zinc/50/18/51/267501851.db2.gz REUPOSMXJSOESB-AWEZNQCLSA-N 1 0 326.387 1.860 20 70 EDIDRO CC(C)(C)c1noc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000160468974 272929774 /nfs/dbraw/zinc/92/97/74/272929774.db2.gz OTUQNQXGLLHVAY-ZDUSSCGKSA-N 1 0 338.452 1.263 20 70 EDIDRO CC[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)CC[N@@H+]1C[C@@H](C)O ZINC000161174847 280379870 /nfs/dbraw/zinc/37/98/70/280379870.db2.gz LMDMEIVQOWXXEC-KYJSFNMBSA-N 1 0 332.444 1.604 20 70 EDIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160253098 441868164 /nfs/dbraw/zinc/86/81/64/441868164.db2.gz QGCOXGOYLKSAAR-XKQJLSEDSA-N 1 0 329.444 1.546 20 70 EDIDRO Cc1sc(C(=O)NCC(C)(C)C[NH+](C)C)cc1CS(C)(=O)=O ZINC000159583273 441822199 /nfs/dbraw/zinc/82/21/99/441822199.db2.gz MZOZSEPQWASONA-UHFFFAOYSA-N 1 0 346.518 1.919 20 70 EDIDRO CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160339683 441873454 /nfs/dbraw/zinc/87/34/54/441873454.db2.gz YPROSABIIOIOII-DLBZAZTESA-N 1 0 344.459 1.523 20 70 EDIDRO O=C(CCNC(=O)c1ccsc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159832681 441841351 /nfs/dbraw/zinc/84/13/51/441841351.db2.gz HIKJTWFMVQGITD-UHFFFAOYSA-N 1 0 335.473 1.859 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160041917 441855130 /nfs/dbraw/zinc/85/51/30/441855130.db2.gz OQOUHHBGYYTEIE-HNNXBMFYSA-N 1 0 325.453 1.846 20 70 EDIDRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160050170 441856149 /nfs/dbraw/zinc/85/61/49/441856149.db2.gz IAXPRTKBIYITIP-CHWSQXEVSA-N 1 0 342.386 1.695 20 70 EDIDRO O=C(Cc1c(F)cccc1Cl)NCC1CC[NH+](CCO)CC1 ZINC000160629884 441903626 /nfs/dbraw/zinc/90/36/26/441903626.db2.gz JCSJIHIIIOCKFK-UHFFFAOYSA-N 1 0 328.815 1.842 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160728497 441914403 /nfs/dbraw/zinc/91/44/03/441914403.db2.gz LLSRUIJMFNSAIH-CQSZACIVSA-N 1 0 348.447 1.961 20 70 EDIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160755626 441916580 /nfs/dbraw/zinc/91/65/80/441916580.db2.gz MWLGRDUNUCTGIQ-CHWSQXEVSA-N 1 0 330.432 1.717 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc32)C1 ZINC000160759301 441918155 /nfs/dbraw/zinc/91/81/55/441918155.db2.gz WXNRQZFKUFBPDL-DGCLKSJQSA-N 1 0 331.445 1.480 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)NC1(c2cccc(OC)c2)CC1 ZINC000160773748 441919236 /nfs/dbraw/zinc/91/92/36/441919236.db2.gz IKAWWAUREKLNEQ-UHFFFAOYSA-N 1 0 335.448 1.952 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160404765 441877545 /nfs/dbraw/zinc/87/75/45/441877545.db2.gz WBRUHQIWMXYFHQ-AAEUAGOBSA-N 1 0 332.491 1.359 20 70 EDIDRO O=C(C[C@@H]1C(=O)Nc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160417207 441880908 /nfs/dbraw/zinc/88/09/08/441880908.db2.gz MKZFJAUCSAOAMF-ZFWWWQNUSA-N 1 0 331.416 1.075 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc([C@H]2CCCO2)n1 ZINC000160427341 441881911 /nfs/dbraw/zinc/88/19/11/441881911.db2.gz MBPIIKLUQSQALD-GXTWGEPZSA-N 1 0 339.461 1.571 20 70 EDIDRO O=C(C[C@H]1CCOc2ccccc21)NCC1CC[NH+](CCO)CC1 ZINC000160539492 441894029 /nfs/dbraw/zinc/89/40/29/441894029.db2.gz CGTUOPNAFMCRDJ-MRXNPFEDSA-N 1 0 332.444 1.763 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1csc(Br)c1 ZINC000160570128 441897853 /nfs/dbraw/zinc/89/78/53/441897853.db2.gz MLGDVQSJJDKRDO-UHFFFAOYSA-N 1 0 347.278 1.945 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000160579119 441898914 /nfs/dbraw/zinc/89/89/14/441898914.db2.gz TYTAGXMRJFJLMT-NSHDSACASA-N 1 0 331.397 1.973 20 70 EDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000161253254 441977140 /nfs/dbraw/zinc/97/71/40/441977140.db2.gz AKKAQKPUZCHNBE-CVEARBPZSA-N 1 0 345.443 1.185 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCc2c(C)noc2C)CC[N@@H+]1CCOC ZINC000160959664 441941786 /nfs/dbraw/zinc/94/17/86/441941786.db2.gz XMRBNEBRSYWRKP-OAHLLOKOSA-N 1 0 338.452 1.934 20 70 EDIDRO CC(C)[NH+](CCNC(=O)NCCNC(=O)OC(C)(C)C)C(C)C ZINC000160993535 441945163 /nfs/dbraw/zinc/94/51/63/441945163.db2.gz BMSJQRZMVMMTPD-UHFFFAOYSA-N 1 0 330.473 1.929 20 70 EDIDRO C[C@H](C(=O)NC(C)(C)CCS(C)(=O)=O)[C@@H]([NH3+])c1ccccc1 ZINC000161035474 441949073 /nfs/dbraw/zinc/94/90/73/441949073.db2.gz JSBXIQYDEDBYDO-GXTWGEPZSA-N 1 0 326.462 1.652 20 70 EDIDRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161049218 441950310 /nfs/dbraw/zinc/95/03/10/441950310.db2.gz YPDXBSJBDLKEDH-ZDUSSCGKSA-N 1 0 326.418 1.236 20 70 EDIDRO Cc1c(/C=C/C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000161119913 441959621 /nfs/dbraw/zinc/95/96/21/441959621.db2.gz SPQSAHQGTZVFLY-GMQHEGJVSA-N 1 0 346.475 1.842 20 70 EDIDRO C[C@@H]1CCCN(C(=O)C[C@@]2(C(=O)N3CCC[C@H](C)C3)CC[NH2+]C2)C1 ZINC000161162674 441964992 /nfs/dbraw/zinc/96/49/92/441964992.db2.gz KFJXPWBHPBMXEM-GJYPPUQNSA-N 1 0 335.492 1.873 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000161368817 441991068 /nfs/dbraw/zinc/99/10/68/441991068.db2.gz DZHIWLAJYRVLDX-UKRRQHHQSA-N 1 0 331.416 1.259 20 70 EDIDRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000161448880 442000449 /nfs/dbraw/zinc/00/04/49/442000449.db2.gz QSLAQLQPBMHGCK-CYBMUJFWSA-N 1 0 344.452 1.539 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000161299423 441981634 /nfs/dbraw/zinc/98/16/34/441981634.db2.gz PMKLGVIZFNDNES-CYBMUJFWSA-N 1 0 334.811 1.204 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000161293203 441982132 /nfs/dbraw/zinc/98/21/32/441982132.db2.gz UJBGTTGAXWWAGK-INIZCTEOSA-N 1 0 347.463 1.156 20 70 EDIDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000161333216 441987799 /nfs/dbraw/zinc/98/77/99/441987799.db2.gz IPKJDTXESIVMDF-JKSUJKDBSA-N 1 0 348.495 1.030 20 70 EDIDRO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)no1 ZINC000161359884 441989910 /nfs/dbraw/zinc/98/99/10/441989910.db2.gz CUQANQUAQBBMNI-ZDUSSCGKSA-N 1 0 344.419 1.729 20 70 EDIDRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000161491450 442005795 /nfs/dbraw/zinc/00/57/95/442005795.db2.gz IEAYUIHMBVGUIQ-YPMHNXCESA-N 1 0 328.796 1.244 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000218209392 443058013 /nfs/dbraw/zinc/05/80/13/443058013.db2.gz LQGSSLQLGYZPNC-LLVKDONJSA-N 1 0 335.231 1.801 20 70 EDIDRO COc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1N1CCNC1=O ZINC000161247719 486643594 /nfs/dbraw/zinc/64/35/94/486643594.db2.gz MBDVBZVHIGMRLF-OLZOCXBDSA-N 1 0 332.404 1.225 20 70 EDIDRO COc1ccc(Cn2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cn2)cc1 ZINC000161277460 486643611 /nfs/dbraw/zinc/64/36/11/486643611.db2.gz RLDJMSJRXUKRQA-CVEARBPZSA-N 1 0 328.416 1.940 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000161384211 486644253 /nfs/dbraw/zinc/64/42/53/486644253.db2.gz IGAQJDHCJXNGES-RYUDHWBXSA-N 1 0 330.837 1.500 20 70 EDIDRO O=C(CCCOc1ccccc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160184671 534370942 /nfs/dbraw/zinc/37/09/42/534370942.db2.gz FPJCLAKGGMKMIR-HNNXBMFYSA-N 1 0 338.423 1.948 20 70 EDIDRO CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160268085 527382088 /nfs/dbraw/zinc/38/20/88/527382088.db2.gz MDLZAOGAJYQEBS-RDJZCZTQSA-N 1 0 348.443 1.620 20 70 EDIDRO CCOc1ncc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000160204510 528777624 /nfs/dbraw/zinc/77/76/24/528777624.db2.gz YRCSTSRFDHBZOY-ZDUSSCGKSA-N 1 0 341.839 1.710 20 70 EDIDRO CC[NH+]1CCN(CCCNC(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000159809445 529144730 /nfs/dbraw/zinc/14/47/30/529144730.db2.gz CTRUNQQRPGVLAY-UHFFFAOYSA-N 1 0 342.447 1.025 20 70 EDIDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000217844780 536410297 /nfs/dbraw/zinc/41/02/97/536410297.db2.gz NHLRIMGZJSZTCE-LBPRGKRZSA-N 1 0 330.245 1.924 20 70 EDIDRO CCc1cccc(NC(=O)CNC(=O)N2CCC[N@@H+](CC)CC2)c1 ZINC000159785653 529536004 /nfs/dbraw/zinc/53/60/04/529536004.db2.gz AQEKCUFGXYUEFU-UHFFFAOYSA-N 1 0 332.448 1.925 20 70 EDIDRO COC1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160320649 540022212 /nfs/dbraw/zinc/02/22/12/540022212.db2.gz ADWJSWWDDDKLDD-ZBFHGGJFSA-N 1 0 325.453 1.354 20 70 EDIDRO COc1cccc(N2CCC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)C2=O)c1 ZINC000159523888 138637133 /nfs/dbraw/zinc/63/71/33/138637133.db2.gz RQGYBWZLCDDMJS-CJNGLKHVSA-N 1 0 331.416 1.449 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1SC(F)F ZINC000160549950 283966755 /nfs/dbraw/zinc/96/67/55/283966755.db2.gz LSRYOLRMWHAEOC-LLVKDONJSA-N 1 0 345.415 1.973 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)C1 ZINC000160800548 532966551 /nfs/dbraw/zinc/96/65/51/532966551.db2.gz WETXZNIFTREBMN-ABAIWWIYSA-N 1 0 339.386 1.540 20 70 EDIDRO COc1c(F)ccc(F)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160129724 533437988 /nfs/dbraw/zinc/43/79/88/533437988.db2.gz LNCMAIXEWQMXRE-LLVKDONJSA-N 1 0 328.359 1.550 20 70 EDIDRO CCn1nnnc1-c1cccc(NC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000159587157 225244784 /nfs/dbraw/zinc/24/47/84/225244784.db2.gz DGVXNNOBJMMXDZ-UHFFFAOYSA-N 1 0 330.392 1.067 20 70 EDIDRO C[NH+](C)C1(CNC(=O)c2cc3c([nH]c2=O)CCCCC3)CCOCC1 ZINC000160334334 225391398 /nfs/dbraw/zinc/39/13/98/225391398.db2.gz VZJBJSYSJRWFKS-UHFFFAOYSA-N 1 0 347.459 1.484 20 70 EDIDRO COCc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)no1 ZINC000160377672 225398837 /nfs/dbraw/zinc/39/88/37/225398837.db2.gz FRNSCJCIJFJVFL-CVEARBPZSA-N 1 0 337.420 1.319 20 70 EDIDRO [NH3+]C1(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CCCCC1 ZINC000159563542 267494337 /nfs/dbraw/zinc/49/43/37/267494337.db2.gz HEVGPDCNGFDVBT-UHFFFAOYSA-N 1 0 343.427 1.727 20 70 EDIDRO CC(C)N1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000160023971 279533792 /nfs/dbraw/zinc/53/37/92/279533792.db2.gz PIASNQXUYAEZAY-CVEARBPZSA-N 1 0 336.480 1.656 20 70 EDIDRO COc1ccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(OC)c1OC ZINC000159471277 295117760 /nfs/dbraw/zinc/11/77/60/295117760.db2.gz VTLMNWNMUJWPOM-GASCZTMLSA-N 1 0 348.443 1.998 20 70 EDIDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(NC(N)=O)CC1 ZINC000160876085 302924249 /nfs/dbraw/zinc/92/42/49/302924249.db2.gz FVJQRCVIFOHVGY-UHFFFAOYSA-N 1 0 348.447 1.224 20 70 EDIDRO CCC[C@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000159485356 441816591 /nfs/dbraw/zinc/81/65/91/441816591.db2.gz FLQBUJBHBUQQEM-XHSDSOJGSA-N 1 0 327.469 1.696 20 70 EDIDRO COCc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)o1 ZINC000159374451 441808793 /nfs/dbraw/zinc/80/87/93/441808793.db2.gz CCKPVKVLVZONFZ-CYBMUJFWSA-N 1 0 330.450 1.720 20 70 EDIDRO CC1CCC(N2C[C@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2=O)CC1 ZINC000160227926 441866947 /nfs/dbraw/zinc/86/69/47/441866947.db2.gz QVKOVOOQKKOMGA-IZTSSTLKSA-N 1 0 333.476 1.767 20 70 EDIDRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nn1-c1ccccc1 ZINC000160305937 441871086 /nfs/dbraw/zinc/87/10/86/441871086.db2.gz QAZKAHXFZFJOKZ-KRWDZBQOSA-N 1 0 342.443 1.757 20 70 EDIDRO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000159682847 441831145 /nfs/dbraw/zinc/83/11/45/441831145.db2.gz HABBZRIVLFHAFO-SFHVURJKSA-N 1 0 345.487 1.734 20 70 EDIDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cnc3ccccn23)CC1 ZINC000159795337 441838582 /nfs/dbraw/zinc/83/85/82/441838582.db2.gz PTKNRCAYHBQFEB-UHFFFAOYSA-N 1 0 329.448 1.320 20 70 EDIDRO O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159855434 441842517 /nfs/dbraw/zinc/84/25/17/441842517.db2.gz KYESCSKPZPIQDL-GFCCVEGCSA-N 1 0 347.381 1.388 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000159887231 441845003 /nfs/dbraw/zinc/84/50/03/441845003.db2.gz DECZGQNPLZMKIP-UHFFFAOYSA-N 1 0 342.484 1.043 20 70 EDIDRO CC(=O)Nc1ccc(CC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160602812 441901148 /nfs/dbraw/zinc/90/11/48/441901148.db2.gz RHUOVFJZSSSARD-UHFFFAOYSA-N 1 0 333.432 1.008 20 70 EDIDRO C[NH+]1CCN(CCNC(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000160389945 441876794 /nfs/dbraw/zinc/87/67/94/441876794.db2.gz LLAFZRMNYDTKNI-UHFFFAOYSA-N 1 0 331.460 1.308 20 70 EDIDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccnn1C ZINC000160429836 441882012 /nfs/dbraw/zinc/88/20/12/441882012.db2.gz OXGSFBKREJNUFB-UHFFFAOYSA-N 1 0 342.447 1.873 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc(-c2ccoc2)n1 ZINC000160440129 441883666 /nfs/dbraw/zinc/88/36/66/441883666.db2.gz JAHMATQTQKCXAR-CYBMUJFWSA-N 1 0 335.429 1.980 20 70 EDIDRO Cc1nc2ccccn2c1C[N@@H+](C)C[C@H](O)COCCOC(C)C ZINC000160464752 441886392 /nfs/dbraw/zinc/88/63/92/441886392.db2.gz CNLQIKBXYWQIKM-INIZCTEOSA-N 1 0 335.448 1.877 20 70 EDIDRO COC1(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000160511962 441891307 /nfs/dbraw/zinc/89/13/07/441891307.db2.gz GBQJKEKEVOKVJH-XJKSGUPXSA-N 1 0 336.407 1.883 20 70 EDIDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161243997 441976179 /nfs/dbraw/zinc/97/61/79/441976179.db2.gz PUFKCEHGHVCYOU-UHFFFAOYSA-N 1 0 343.431 1.577 20 70 EDIDRO COC(=O)c1ccccc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000161240436 441976200 /nfs/dbraw/zinc/97/62/00/441976200.db2.gz GVSCFDLTXHCTSY-ZDUSSCGKSA-N 1 0 328.434 1.467 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000161059422 441951186 /nfs/dbraw/zinc/95/11/86/441951186.db2.gz XXIGVZJYOLUULE-UHFFFAOYSA-N 1 0 339.461 1.056 20 70 EDIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000161095537 441956521 /nfs/dbraw/zinc/95/65/21/441956521.db2.gz KWGXIQFTLAJHRR-MRXNPFEDSA-N 1 0 345.443 1.551 20 70 EDIDRO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)Oc1ccccc1Br ZINC000161144048 441963140 /nfs/dbraw/zinc/96/31/40/441963140.db2.gz DXAXKVMFUZSQCX-GXFFZTMASA-N 1 0 343.221 1.321 20 70 EDIDRO C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)Oc1ccccc1Br ZINC000161144184 441964175 /nfs/dbraw/zinc/96/41/75/441964175.db2.gz DXAXKVMFUZSQCX-ZWNOBZJWSA-N 1 0 343.221 1.321 20 70 EDIDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000161389400 441993328 /nfs/dbraw/zinc/99/33/28/441993328.db2.gz OQGVEVAWCWNGIP-RYUDHWBXSA-N 1 0 337.386 1.491 20 70 EDIDRO Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000161405347 441997186 /nfs/dbraw/zinc/99/71/86/441997186.db2.gz IAZNKDBZIZJAAX-HNNXBMFYSA-N 1 0 345.399 1.409 20 70 EDIDRO Cc1cccc([C@@H](CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)NC(N)=O)c1 ZINC000161321893 441984987 /nfs/dbraw/zinc/98/49/87/441984987.db2.gz RTCFICWDAPITLQ-FCLJQHQZSA-N 1 0 344.459 1.836 20 70 EDIDRO Cc1[nH]c(=O)ccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000161486564 442004780 /nfs/dbraw/zinc/00/47/80/442004780.db2.gz HTDXECILLKDBOM-OAHLLOKOSA-N 1 0 332.448 1.338 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1 ZINC000160899174 486640195 /nfs/dbraw/zinc/64/01/95/486640195.db2.gz MJGGYYWAKHSBCT-UONOGXRCSA-N 1 0 331.416 1.578 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000159931247 534537739 /nfs/dbraw/zinc/53/77/39/534537739.db2.gz FAPMCYRMVYLZQB-GFCCVEGCSA-N 1 0 340.807 1.645 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160249788 534757392 /nfs/dbraw/zinc/75/73/92/534757392.db2.gz UKQMYPQCMXOIFE-HNNXBMFYSA-N 1 0 342.399 1.702 20 70 EDIDRO CC(C)([NH3+])CNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000159933357 527244624 /nfs/dbraw/zinc/24/46/24/527244624.db2.gz AEMKMAFGJBMTDI-UHFFFAOYSA-N 1 0 331.460 1.711 20 70 EDIDRO CCOC(=O)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159738719 528230238 /nfs/dbraw/zinc/23/02/38/528230238.db2.gz CYNGCOPFQRAAAV-ZBFHGGJFSA-N 1 0 334.416 1.895 20 70 EDIDRO CCOC(=O)CN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159697184 528767165 /nfs/dbraw/zinc/76/71/65/528767165.db2.gz LVVCJQJVSWGNOX-WBVHZDCISA-N 1 0 348.443 1.676 20 70 EDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)CO)CC1 ZINC000161160405 540030953 /nfs/dbraw/zinc/03/09/53/540030953.db2.gz GSEAWVXYEKNXPC-AWEZNQCLSA-N 1 0 334.464 1.925 20 70 EDIDRO COC[C@H](C)NC(=O)NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159763698 225273331 /nfs/dbraw/zinc/27/33/31/225273331.db2.gz IJNQOGFFZDUQCY-LBPRGKRZSA-N 1 0 342.465 1.257 20 70 EDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1C ZINC000159983532 225315188 /nfs/dbraw/zinc/31/51/88/225315188.db2.gz ITZFPBDTWIZMQC-YCPHGPKFSA-N 1 0 330.432 1.037 20 70 EDIDRO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159616241 225250594 /nfs/dbraw/zinc/25/05/94/225250594.db2.gz KCQLZOWFDVHOSR-HNNXBMFYSA-N 1 0 331.416 1.548 20 70 EDIDRO C[C@H]1CCC[C@@](CNC(=O)CNC(=O)c2cccnc2)([NH+](C)C)C1 ZINC000160344333 225392936 /nfs/dbraw/zinc/39/29/36/225392936.db2.gz OCQKSLYRMZMALW-KBXCAEBGSA-N 1 0 332.448 1.438 20 70 EDIDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])nnn1-c1ccc(F)c(Cl)c1 ZINC000160358348 225395795 /nfs/dbraw/zinc/39/57/95/225395795.db2.gz OLBJVUOYYIRCHH-LLVKDONJSA-N 1 0 337.786 1.932 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000160047496 225327233 /nfs/dbraw/zinc/32/72/33/225327233.db2.gz PZLHNDQRWFWRIJ-OKILXGFUSA-N 1 0 332.448 1.813 20 70 EDIDRO COC(=O)[C@@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000160217622 225363461 /nfs/dbraw/zinc/36/34/61/225363461.db2.gz WIRLVOKMSYATEV-ZIAGYGMSSA-N 1 0 327.469 1.947 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)C1 ZINC000160587160 272930121 /nfs/dbraw/zinc/93/01/21/272930121.db2.gz KTKZZOGPEUJWJV-CQSZACIVSA-N 1 0 342.447 1.836 20 70 EDIDRO COC(=O)C[C@H](C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160719822 302923790 /nfs/dbraw/zinc/92/37/90/302923790.db2.gz GXOHGEQNQRHRTE-QEJZJMRPSA-N 1 0 326.437 1.070 20 70 EDIDRO COCCN(C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000159407578 441809704 /nfs/dbraw/zinc/80/97/04/441809704.db2.gz QEPGLXDUYFILES-UHFFFAOYSA-N 1 0 331.460 1.987 20 70 EDIDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159562433 441821520 /nfs/dbraw/zinc/82/15/20/441821520.db2.gz KVCGHGFCFVJTLG-OAHLLOKOSA-N 1 0 337.468 1.971 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000160155613 441863031 /nfs/dbraw/zinc/86/30/31/441863031.db2.gz MANOLSGMARCLHM-QGZVFWFLSA-N 1 0 328.416 1.449 20 70 EDIDRO Cn1cnc2cc(C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)cnc21 ZINC000160186608 441863898 /nfs/dbraw/zinc/86/38/98/441863898.db2.gz VGXVUHFKZTUVKK-INIZCTEOSA-N 1 0 337.427 1.871 20 70 EDIDRO CC[C@H](CNC(=O)C1(NC(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000159947746 441849065 /nfs/dbraw/zinc/84/90/65/441849065.db2.gz KDBVFRURVIGDRV-OAHLLOKOSA-N 1 0 330.432 1.140 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000160760236 441918000 /nfs/dbraw/zinc/91/80/00/441918000.db2.gz PKYWEEGVKCYNSW-LBPRGKRZSA-N 1 0 345.424 1.902 20 70 EDIDRO CCCOc1cccc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160404983 441878075 /nfs/dbraw/zinc/87/80/75/441878075.db2.gz JEBKNFOHMMOZJG-KRWDZBQOSA-N 1 0 334.460 1.981 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1 ZINC000160404985 441878352 /nfs/dbraw/zinc/87/83/52/441878352.db2.gz WBRUHQIWMXYFHQ-WCQYABFASA-N 1 0 332.491 1.359 20 70 EDIDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000160424626 441880853 /nfs/dbraw/zinc/88/08/53/441880853.db2.gz QIEYZUVOIDMNRR-UHFFFAOYSA-N 1 0 347.419 1.289 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000160455026 441884462 /nfs/dbraw/zinc/88/44/62/441884462.db2.gz YMBJFYILYHYETA-OAHLLOKOSA-N 1 0 338.473 1.940 20 70 EDIDRO COC(=O)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000160550373 441895355 /nfs/dbraw/zinc/89/53/55/441895355.db2.gz GBQLUZBISKEAPD-NSHDSACASA-N 1 0 326.418 1.111 20 70 EDIDRO CC(C)(C)n1nc(C(=O)NCC2CC[NH+](CCO)CC2)cc1C1CC1 ZINC000160561854 441896872 /nfs/dbraw/zinc/89/68/72/441896872.db2.gz XXABFJZCDFMBQP-UHFFFAOYSA-N 1 0 348.491 1.950 20 70 EDIDRO CCCNC(=O)c1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160579277 441899164 /nfs/dbraw/zinc/89/91/64/441899164.db2.gz HJPAKNWNIYEOQK-UHFFFAOYSA-N 1 0 347.459 1.261 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cn1 ZINC000161196835 441971296 /nfs/dbraw/zinc/97/12/96/441971296.db2.gz CPUMLDJHEVNJBO-FZKQIMNGSA-N 1 0 332.448 1.955 20 70 EDIDRO COC(=O)CCCc1nnc(NC(=O)[C@H]([NH3+])Cc2ccccc2)s1 ZINC000161213558 441973908 /nfs/dbraw/zinc/97/39/08/441973908.db2.gz NZOLLPPQFHUSSD-GFCCVEGCSA-N 1 0 348.428 1.542 20 70 EDIDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000161239379 441975473 /nfs/dbraw/zinc/97/54/73/441975473.db2.gz IHGXMCJKXUVNBZ-AWEZNQCLSA-N 1 0 342.461 1.842 20 70 EDIDRO CSCC[C@@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160963170 441941217 /nfs/dbraw/zinc/94/12/17/441941217.db2.gz DOMKBVWCRYZRIE-GJZGRUSLSA-N 1 0 331.526 1.910 20 70 EDIDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000161066482 441951891 /nfs/dbraw/zinc/95/18/91/441951891.db2.gz FHOMVCFFMRYBSQ-NVXWUHKLSA-N 1 0 331.464 1.392 20 70 EDIDRO O=S(=O)(CCCF)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161125247 441961378 /nfs/dbraw/zinc/96/13/78/441961378.db2.gz BTIMSMDHQNRVBJ-UHFFFAOYSA-N 1 0 344.452 1.422 20 70 EDIDRO CCc1ncc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cn1 ZINC000161171385 441966499 /nfs/dbraw/zinc/96/64/99/441966499.db2.gz CLJTZYDMHGPVSH-ZDUSSCGKSA-N 1 0 333.436 1.756 20 70 EDIDRO CCc1nc(-c2ccccc2NC(=O)CN2CC[NH+](CC)CC2)n[nH]1 ZINC000161333355 441986968 /nfs/dbraw/zinc/98/69/68/441986968.db2.gz CSAHJDCRLPJDST-UHFFFAOYSA-N 1 0 342.447 1.610 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000161355216 441990072 /nfs/dbraw/zinc/99/00/72/441990072.db2.gz FVODHPMDIAYLRH-GUTXKFCHSA-N 1 0 332.448 1.811 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1 ZINC000160899301 486640072 /nfs/dbraw/zinc/64/00/72/486640072.db2.gz MJGGYYWAKHSBCT-KBPBESRZSA-N 1 0 331.416 1.578 20 70 EDIDRO CS(=O)(=O)c1ccc(OCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161073650 486642441 /nfs/dbraw/zinc/64/24/41/486642441.db2.gz VVODQUMUMPPWOM-OLZOCXBDSA-N 1 0 340.445 1.245 20 70 EDIDRO CCOC[C@H](O)C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000217183481 486649923 /nfs/dbraw/zinc/64/99/23/486649923.db2.gz APYMHERTMHDISX-LSDHHAIUSA-N 1 0 330.469 1.963 20 70 EDIDRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])c1c(F)cccc1F ZINC000160178295 526832801 /nfs/dbraw/zinc/83/28/01/526832801.db2.gz MGPLXPLBJLNSRE-FZMZJTMJSA-N 1 0 325.359 1.482 20 70 EDIDRO CCC[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000159575310 528399439 /nfs/dbraw/zinc/39/94/39/528399439.db2.gz GZPMMKNQZRMIPX-ROUUACIJSA-N 1 0 333.476 1.906 20 70 EDIDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cn1 ZINC000159455915 540009519 /nfs/dbraw/zinc/00/95/19/540009519.db2.gz UAMYFYCMQNFWHQ-OAHLLOKOSA-N 1 0 340.493 1.441 20 70 EDIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160362775 540023246 /nfs/dbraw/zinc/02/32/46/540023246.db2.gz OPALSFKNNDGRDI-KRWDZBQOSA-N 1 0 331.464 1.393 20 70 EDIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC[C@@H]21 ZINC000161268770 540032150 /nfs/dbraw/zinc/03/21/50/540032150.db2.gz LJFASPPITJSUGL-ABAIWWIYSA-N 1 0 334.395 1.873 20 70 EDIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(=O)NC1CC1 ZINC000159839781 533501621 /nfs/dbraw/zinc/50/16/21/533501621.db2.gz ZFAVYIORMJEBBI-NWDGAFQWSA-N 1 0 342.403 1.295 20 70 EDIDRO COCCOc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159912737 225301328 /nfs/dbraw/zinc/30/13/28/225301328.db2.gz UQJIFRICSCJFNT-HNNXBMFYSA-N 1 0 336.432 1.288 20 70 EDIDRO O=C(CC1CC[NH2+]CC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000159676037 225258694 /nfs/dbraw/zinc/25/86/94/225258694.db2.gz QCOFSSQCOAWCPU-UHFFFAOYSA-N 1 0 349.862 1.901 20 70 EDIDRO COC[C@@H](C)[NH2+]C[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 ZINC000160372974 225397646 /nfs/dbraw/zinc/39/76/46/225397646.db2.gz DNBIYTYRJNTVMI-GDBMZVCRSA-N 1 0 338.448 1.702 20 70 EDIDRO O=C(CCn1cnc2ccccc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160380080 225399222 /nfs/dbraw/zinc/39/92/22/225399222.db2.gz WCZGKKZKLNTTCQ-OAHLLOKOSA-N 1 0 330.432 1.389 20 70 EDIDRO C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)N1CC[NH+](C)CC1 ZINC000160154684 225349562 /nfs/dbraw/zinc/34/95/62/225349562.db2.gz LJCZJKYHGALCOI-CQSZACIVSA-N 1 0 346.475 1.010 20 70 EDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000161301047 278424891 /nfs/dbraw/zinc/42/48/91/278424891.db2.gz BOAXQDHPGCDDOY-KBPBESRZSA-N 1 0 345.447 1.137 20 70 EDIDRO CN1CCN([C@@H](C(=O)NCC2([NH3+])CCCCC2)c2ccccc2)CC1 ZINC000159680526 290053502 /nfs/dbraw/zinc/05/35/02/290053502.db2.gz GVIGLSALTYSNCX-GOSISDBHSA-N 1 0 344.503 1.753 20 70 EDIDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160307759 441870529 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COCCCNC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160657608 441905685 /nfs/dbraw/zinc/90/56/85/441905685.db2.gz YSNZEBDXDCNWEK-UHFFFAOYSA-N 1 0 325.497 1.727 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)C1 ZINC000160740168 441915840 /nfs/dbraw/zinc/91/58/40/441915840.db2.gz YGRRYRNTKFMQHN-SMDDNHRTSA-N 1 0 339.436 1.706 20 70 EDIDRO COCC[NH+]1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160788119 441921887 /nfs/dbraw/zinc/92/18/87/441921887.db2.gz YRRGHGRWRUWPGT-UHFFFAOYSA-N 1 0 349.357 1.678 20 70 EDIDRO CCOC(=O)C[C@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000160808032 441923011 /nfs/dbraw/zinc/92/30/11/441923011.db2.gz IXFUGLCDCVFDSJ-HNNXBMFYSA-N 1 0 347.459 1.506 20 70 EDIDRO CCN1CC[NH+](CCCCNC(=O)NC[C@]2(C)CCCS2)CC1 ZINC000160401549 441877495 /nfs/dbraw/zinc/87/74/95/441877495.db2.gz YVOFUJKTSCMTIC-KRWDZBQOSA-N 1 0 342.553 1.989 20 70 EDIDRO COc1ccc(OC)c(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160449289 441884146 /nfs/dbraw/zinc/88/41/46/441884146.db2.gz VGCNXRDIMOUGJO-OAHLLOKOSA-N 1 0 336.432 1.209 20 70 EDIDRO C[N@H+](CC1(CO)COC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160466706 441885579 /nfs/dbraw/zinc/88/55/79/441885579.db2.gz ASWIOBXUQIKAPB-YIONKMFJSA-N 1 0 340.464 1.858 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160458207 441886123 /nfs/dbraw/zinc/88/61/23/441886123.db2.gz OTAIBOPVYFYEEM-BXUZGUMPSA-N 1 0 349.460 1.160 20 70 EDIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160510913 441890935 /nfs/dbraw/zinc/89/09/35/441890935.db2.gz IBJWZEUMTJZPBD-SOUVJXGZSA-N 1 0 332.510 1.779 20 70 EDIDRO NC(=O)c1cccc(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000160563301 441897446 /nfs/dbraw/zinc/89/74/46/441897446.db2.gz FMIDCXCCVAZZCP-UHFFFAOYSA-N 1 0 328.416 1.354 20 70 EDIDRO CCOC(=O)C[C@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000160585517 441898442 /nfs/dbraw/zinc/89/84/42/441898442.db2.gz JZZQMDKXCBNPBE-HNNXBMFYSA-N 1 0 348.447 1.052 20 70 EDIDRO COc1cccc([C@@H]2C[C@H]2C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160604013 441900397 /nfs/dbraw/zinc/90/03/97/441900397.db2.gz LCPIBYLLOMPPDD-ZWKOTPCHSA-N 1 0 332.444 1.619 20 70 EDIDRO Cc1nc(CC(C)C)c(NC(=O)C(=O)NCCC[NH+](C)C)s1 ZINC000161031251 441949087 /nfs/dbraw/zinc/94/90/87/441949087.db2.gz QXCYDHMOZPBBJP-UHFFFAOYSA-N 1 0 326.466 1.656 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000161085897 441955465 /nfs/dbraw/zinc/95/54/65/441955465.db2.gz RMYCYBARWRVAME-TXEJJXNPSA-N 1 0 339.461 1.559 20 70 EDIDRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C[NH2+]CC3CC3)ccc2NC1=O ZINC000161376728 441992873 /nfs/dbraw/zinc/99/28/73/441992873.db2.gz MGTQHZDCEOHUSE-NHYWBVRUSA-N 1 0 331.416 1.973 20 70 EDIDRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCN(C2CC2)CC1 ZINC000161430437 441999119 /nfs/dbraw/zinc/99/91/19/441999119.db2.gz DWIDYWWQOFRWDG-UHFFFAOYSA-N 1 0 343.431 1.291 20 70 EDIDRO C[N@@H+]1CCN(CCCN2C(=O)NC(C)(C)C2=O)[C@@H](c2ccccc2)C1 ZINC000161343751 441988964 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CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000159779311 528022425 /nfs/dbraw/zinc/02/24/25/528022425.db2.gz APBAUFZNOCUEHQ-HNNXBMFYSA-N 1 0 327.432 1.975 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCC(=O)N2CCCc3ccccc32)CC1 ZINC000159748960 529023914 /nfs/dbraw/zinc/02/39/14/529023914.db2.gz AMVFBFKYMWSFAP-UHFFFAOYSA-N 1 0 344.459 1.703 20 70 EDIDRO CCOCc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159791234 529036423 /nfs/dbraw/zinc/03/64/23/529036423.db2.gz QZKRBFNBPKBWRG-ROUUACIJSA-N 1 0 334.460 1.932 20 70 EDIDRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217287031 535515512 /nfs/dbraw/zinc/51/55/12/535515512.db2.gz RUCOLFAAXFKIEF-QGZVFWFLSA-N 1 0 346.475 1.819 20 70 EDIDRO CN(CC(=O)N1CC[C@@H]([NH3+])C1)C(=O)c1ccc(Br)s1 ZINC000160220443 529829683 /nfs/dbraw/zinc/82/96/83/529829683.db2.gz SUQDJWVYFKPZAX-MRVPVSSYSA-N 1 0 346.250 1.142 20 70 EDIDRO C[NH2+]C[C@H](C)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000160433390 529993529 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/nfs/dbraw/zinc/86/00/76/441860076.db2.gz NAWJRHDQANSFOE-CVEARBPZSA-N 1 0 348.443 1.209 20 70 EDIDRO O=C(CNC(=O)c1ccco1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159589071 441823399 /nfs/dbraw/zinc/82/33/99/441823399.db2.gz QLCQAZLFORQOJE-HNNXBMFYSA-N 1 0 349.431 1.113 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1CC ZINC000159660189 441828001 /nfs/dbraw/zinc/82/80/01/441828001.db2.gz VJSKWORIULPHHB-NWDGAFQWSA-N 1 0 347.463 1.319 20 70 EDIDRO C[C@@H](CCO)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000159755384 441835557 /nfs/dbraw/zinc/83/55/57/441835557.db2.gz CXVHRJXLSJOREV-AWEZNQCLSA-N 1 0 329.510 1.808 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000159981086 441852427 /nfs/dbraw/zinc/85/24/27/441852427.db2.gz ZEAHQTPGFHDDOP-UHFFFAOYSA-N 1 0 336.436 1.865 20 70 EDIDRO CCn1nc(C)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1Cl ZINC000160011329 441854278 /nfs/dbraw/zinc/85/42/78/441854278.db2.gz ITDXINPHTCDFQP-LBPRGKRZSA-N 1 0 328.844 1.441 20 70 EDIDRO COc1cccc(COCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000160598909 441901025 /nfs/dbraw/zinc/90/10/25/441901025.db2.gz DLJSTQWUVAIZLA-QGZVFWFLSA-N 1 0 345.443 1.868 20 70 EDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160642039 441904373 /nfs/dbraw/zinc/90/43/73/441904373.db2.gz OTPRUZFWUHGRNI-NVXWUHKLSA-N 1 0 343.475 1.534 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(Cl)nc2ccccn21 ZINC000160662083 441906276 /nfs/dbraw/zinc/90/62/76/441906276.db2.gz IGSFAWWOCGEUMH-GFCCVEGCSA-N 1 0 336.823 1.564 20 70 EDIDRO Cn1ccnc1CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000160722449 441913128 /nfs/dbraw/zinc/91/31/28/441913128.db2.gz ZBTGDEAERGGXQT-MRXNPFEDSA-N 1 0 342.399 1.047 20 70 EDIDRO COc1ccc2c(CC(=O)NCC3CC[NH+](CCO)CC3)coc2c1 ZINC000160721216 441913260 /nfs/dbraw/zinc/91/32/60/441913260.db2.gz MSVIIDGNJWRHLQ-UHFFFAOYSA-N 1 0 346.427 1.804 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(I)c[nH]2)C1 ZINC000160794639 441922082 /nfs/dbraw/zinc/92/20/82/441922082.db2.gz LJBBMHGONVSDON-RKDXNWHRSA-N 1 0 333.173 1.619 20 70 EDIDRO COC1(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000160512189 441891127 /nfs/dbraw/zinc/89/11/27/441891127.db2.gz GBQJKEKEVOKVJH-BBRMVZONSA-N 1 0 336.407 1.883 20 70 EDIDRO CCNS(=O)(=O)c1ccc(C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160507305 441891549 /nfs/dbraw/zinc/89/15/49/441891549.db2.gz IVASGFKHFWOUGS-UHFFFAOYSA-N 1 0 327.450 1.232 20 70 EDIDRO O=C(NCC1(c2cccc(F)c2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000160541149 441894691 /nfs/dbraw/zinc/89/46/91/441894691.db2.gz XIRCOZDPKCLRFC-UHFFFAOYSA-N 1 0 343.406 1.803 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161199516 441971267 /nfs/dbraw/zinc/97/12/67/441971267.db2.gz JOAJGZBVZFLPLW-GJZGRUSLSA-N 1 0 335.835 1.903 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000161253686 441977064 /nfs/dbraw/zinc/97/70/64/441977064.db2.gz HUFPTNXVDYPOOL-UHFFFAOYSA-N 1 0 330.425 1.481 20 70 EDIDRO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)n1 ZINC000161088629 441955060 /nfs/dbraw/zinc/95/50/60/441955060.db2.gz INABJHUVCBTTAW-ZBFHGGJFSA-N 1 0 329.404 1.225 20 70 EDIDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc3c2oc(=O)n3C)CC1 ZINC000161365462 441991087 /nfs/dbraw/zinc/99/10/87/441991087.db2.gz HWBAENTWCPLIQZ-UHFFFAOYSA-N 1 0 331.416 1.982 20 70 EDIDRO Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c2cccnc12 ZINC000161453159 442002273 /nfs/dbraw/zinc/00/22/73/442002273.db2.gz DASKEVSBCSTFIB-INIZCTEOSA-N 1 0 337.445 1.134 20 70 EDIDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000161299530 441982162 /nfs/dbraw/zinc/98/21/62/441982162.db2.gz XRWNDYHPELHGNZ-ZFWWWQNUSA-N 1 0 325.478 1.811 20 70 EDIDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@H](COCc2ccccc2)C1 ZINC000161324402 441986237 /nfs/dbraw/zinc/98/62/37/441986237.db2.gz IVOGORHARFZAPO-ZWKOTPCHSA-N 1 0 332.444 1.820 20 70 EDIDRO C[C@@]1(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CCC[NH2+]C1 ZINC000161347421 441988605 /nfs/dbraw/zinc/98/86/05/441988605.db2.gz CBTBWUWWWXZXOT-GOSISDBHSA-N 1 0 331.416 1.487 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCc2cscn2)CC[N@@H+]1CCOC ZINC000161346848 441988852 /nfs/dbraw/zinc/98/88/52/441988852.db2.gz GOHCDCIPGQHZJA-CQSZACIVSA-N 1 0 326.466 1.785 20 70 EDIDRO NC(=O)c1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000159562339 318419007 /nfs/dbraw/zinc/41/90/07/318419007.db2.gz UBVNUQQYVRQAOO-KRWDZBQOSA-N 1 0 345.443 1.503 20 70 EDIDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000218131185 443058317 /nfs/dbraw/zinc/05/83/17/443058317.db2.gz SJHXQGZPGAMHPC-UKRRQHHQSA-N 1 0 341.477 1.095 20 70 EDIDRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2nocc2C)[NH+](C)C)c1 ZINC000160034444 533714745 /nfs/dbraw/zinc/71/47/45/533714745.db2.gz MCLUZWGLFPMYJV-CQSZACIVSA-N 1 0 346.387 1.349 20 70 EDIDRO Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CC[NH2+]CC2)cc1 ZINC000159365640 534030225 /nfs/dbraw/zinc/03/02/25/534030225.db2.gz OLVHFSLJYMSKSM-QGZVFWFLSA-N 1 0 346.475 1.641 20 70 EDIDRO CC1CC[NH+](CCCNC(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000161205020 528236675 /nfs/dbraw/zinc/23/66/75/528236675.db2.gz RWFYQOXBDDHVOJ-UHFFFAOYSA-N 1 0 346.475 1.830 20 70 EDIDRO COc1ccnc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000160493802 540023631 /nfs/dbraw/zinc/02/36/31/540023631.db2.gz AKUSGSKLEZLFFY-IAGOWNOFSA-N 1 0 333.432 1.588 20 70 EDIDRO COc1cccc(COCCNC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000160614771 540024504 /nfs/dbraw/zinc/02/45/04/540024504.db2.gz JXHKATMTDJOHPN-UHFFFAOYSA-N 1 0 347.459 1.949 20 70 EDIDRO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000160203244 533531708 /nfs/dbraw/zinc/53/17/08/533531708.db2.gz VPEWMNRBHQOORX-XWIASGKRSA-N 1 0 327.222 1.990 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000159763818 225273451 /nfs/dbraw/zinc/27/34/51/225273451.db2.gz DFRLGRUVGMOMJX-MRXNPFEDSA-N 1 0 326.400 1.748 20 70 EDIDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 ZINC000160086464 225334905 /nfs/dbraw/zinc/33/49/05/225334905.db2.gz ZYBBSHCRMZVTNI-UHFFFAOYSA-N 1 0 328.416 1.347 20 70 EDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000159815586 267497971 /nfs/dbraw/zinc/49/79/71/267497971.db2.gz GLGXJRGVRXYTNK-HZPDHXFCSA-N 1 0 345.443 1.043 20 70 EDIDRO CC[NH+]1CCN([C@H]2CCN([C@H](C(=O)OC)c3cccnc3)C2)CC1 ZINC000160048528 276201569 /nfs/dbraw/zinc/20/15/69/276201569.db2.gz ZHUPIFMWFFUURM-IRXDYDNUSA-N 1 0 332.448 1.008 20 70 EDIDRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000160178044 277040493 /nfs/dbraw/zinc/04/04/93/277040493.db2.gz MGPLXPLBJLNSRE-RISCZKNCSA-N 1 0 325.359 1.482 20 70 EDIDRO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000159476973 302918139 /nfs/dbraw/zinc/91/81/39/302918139.db2.gz LUDBZRXHZGKKKR-INIZCTEOSA-N 1 0 349.450 1.753 20 70 EDIDRO COCCOc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000160172233 302920700 /nfs/dbraw/zinc/92/07/00/302920700.db2.gz FTGGNABKPJQVIZ-OLZOCXBDSA-N 1 0 328.434 1.212 20 70 EDIDRO CC(C)n1nccc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000159529817 441820351 /nfs/dbraw/zinc/82/03/51/441820351.db2.gz GXXLECQOHKUTCM-UHFFFAOYSA-N 1 0 338.452 1.810 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1CC ZINC000159660471 441827252 /nfs/dbraw/zinc/82/72/52/441827252.db2.gz VJSKWORIULPHHB-VXGBXAGGSA-N 1 0 347.463 1.319 20 70 EDIDRO C[C@H]1Oc2ccccc2N(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000159807141 441840231 /nfs/dbraw/zinc/84/02/31/441840231.db2.gz DOOLKNJYKCEZBO-KFWWJZLASA-N 1 0 343.427 1.544 20 70 EDIDRO O=C(Cc1cccc2cccnc21)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159994814 441852165 /nfs/dbraw/zinc/85/21/65/441852165.db2.gz ZJFHRRDSOSAXLH-QGZVFWFLSA-N 1 0 327.428 1.740 20 70 EDIDRO CO[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000160021336 441854489 /nfs/dbraw/zinc/85/44/89/441854489.db2.gz HTQKEKAXBWDDGA-IAGOWNOFSA-N 1 0 332.448 1.913 20 70 EDIDRO CC[S@@](=O)c1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160643436 441904924 /nfs/dbraw/zinc/90/49/24/441904924.db2.gz UUVZDSAXYXYFCT-FATZIPQQSA-N 1 0 338.473 1.391 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C1 ZINC000160651077 441905608 /nfs/dbraw/zinc/90/56/08/441905608.db2.gz OKUNXWLQCXOPQE-QGZVFWFLSA-N 1 0 335.411 1.914 20 70 EDIDRO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160680058 441907978 /nfs/dbraw/zinc/90/79/78/441907978.db2.gz LMXIOBMAEJTUMZ-GDBMZVCRSA-N 1 0 338.423 1.946 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccn(-c2ccccc2)n1 ZINC000160690926 441909436 /nfs/dbraw/zinc/90/94/36/441909436.db2.gz SFNOSIWVYSYKOL-INIZCTEOSA-N 1 0 328.416 1.449 20 70 EDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(CCO)CCc1ccccc1 ZINC000160727083 441914815 /nfs/dbraw/zinc/91/48/15/441914815.db2.gz AUBGRICKKXVRCQ-SFHVURJKSA-N 1 0 331.460 1.717 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C1 ZINC000160762135 441917678 /nfs/dbraw/zinc/91/76/78/441917678.db2.gz TWVVUNLGBKQZSD-ZDUSSCGKSA-N 1 0 328.416 1.879 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000160794496 441921398 /nfs/dbraw/zinc/92/13/98/441921398.db2.gz MFRNOAUNBNZGCX-UHFFFAOYSA-N 1 0 336.436 1.722 20 70 EDIDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(CO)cc2)C1 ZINC000160430100 441881533 /nfs/dbraw/zinc/88/15/33/441881533.db2.gz LSEZLRHHIIPKNS-KRWDZBQOSA-N 1 0 336.432 1.031 20 70 EDIDRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC([NH3+])(CC)CC ZINC000160433513 441881675 /nfs/dbraw/zinc/88/16/75/441881675.db2.gz OFFYOTJMUVAGGH-ZDUSSCGKSA-N 1 0 333.498 1.214 20 70 EDIDRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000160430893 441881980 /nfs/dbraw/zinc/88/19/80/441881980.db2.gz YIPKZZVYTGGPHD-CDMKHQONSA-N 1 0 340.807 1.388 20 70 EDIDRO CCc1c(C(=O)N2CC[C@@H]([NH2+]C)C2)nnn1-c1cccc(Cl)c1 ZINC000160502264 441889708 /nfs/dbraw/zinc/88/97/08/441889708.db2.gz QCWCZRJMWMAJSP-GFCCVEGCSA-N 1 0 333.823 1.917 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000161083731 441955252 /nfs/dbraw/zinc/95/52/52/441955252.db2.gz QKRIPNWHGPNWHQ-AWEZNQCLSA-N 1 0 345.443 1.649 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000161119498 441958745 /nfs/dbraw/zinc/95/87/45/441958745.db2.gz HZIYXHKIPZJBKW-HUUCEWRRSA-N 1 0 335.448 1.010 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000161128060 441961202 /nfs/dbraw/zinc/96/12/02/441961202.db2.gz GTAIGAAGFXRLMH-OAHLLOKOSA-N 1 0 336.484 1.687 20 70 EDIDRO CCc1ncc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cn1 ZINC000161171272 441966334 /nfs/dbraw/zinc/96/63/34/441966334.db2.gz CLJTZYDMHGPVSH-CYBMUJFWSA-N 1 0 333.436 1.756 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSCC(=O)Nc1ccc(C)cc1 ZINC000161301903 441983335 /nfs/dbraw/zinc/98/33/35/441983335.db2.gz WQFGBKZBOBJIAS-HNNXBMFYSA-N 1 0 335.473 1.877 20 70 EDIDRO C[C@]1(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCC[NH2+]C1 ZINC000161347818 441988835 /nfs/dbraw/zinc/98/88/35/441988835.db2.gz NQQNUQVAOWQKSD-IBGZPJMESA-N 1 0 345.443 1.416 20 70 EDIDRO O=C(C[NH2+]CC1CC1)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000161354414 441989670 /nfs/dbraw/zinc/98/96/70/441989670.db2.gz LQBNBQHKQBVYRH-UHFFFAOYSA-N 1 0 349.862 1.553 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000218165564 443058023 /nfs/dbraw/zinc/05/80/23/443058023.db2.gz IXQXFIDXVYKDDI-GFCCVEGCSA-N 1 0 345.237 1.257 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000218058848 443058083 /nfs/dbraw/zinc/05/80/83/443058083.db2.gz WBTKBUJNOGPBFV-JTQLQIEISA-N 1 0 335.231 1.801 20 70 EDIDRO Cc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)c(Br)c1 ZINC000161227664 486160579 /nfs/dbraw/zinc/16/05/79/486160579.db2.gz BOFFYRDQULCGHT-UHFFFAOYSA-N 1 0 340.265 1.735 20 70 EDIDRO CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161120512 486642446 /nfs/dbraw/zinc/64/24/46/486642446.db2.gz VNPRBMAHEKDOQD-HUUCEWRRSA-N 1 0 347.459 1.981 20 70 EDIDRO COc1ccc(O)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000159490613 534196920 /nfs/dbraw/zinc/19/69/20/534196920.db2.gz MWUGGYGOWDMMJE-WMZOPIPTSA-N 1 0 348.443 1.899 20 70 EDIDRO C[NH+](C)CCn1cc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)cn1 ZINC000160239592 540021864 /nfs/dbraw/zinc/02/18/64/540021864.db2.gz JEJNEZHTKIQUME-GDBMZVCRSA-N 1 0 337.468 1.898 20 70 EDIDRO COC1CC[NH+](CCNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161153450 540031068 /nfs/dbraw/zinc/03/10/68/540031068.db2.gz QTRNWEIRIYXOAO-OAGGEKHMSA-N 1 0 337.464 1.354 20 70 EDIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000160758798 284351295 /nfs/dbraw/zinc/35/12/95/284351295.db2.gz QGIGNVZUTQGAOD-LLVKDONJSA-N 1 0 347.385 1.922 20 70 EDIDRO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160128910 205552107 /nfs/dbraw/zinc/55/21/07/205552107.db2.gz CMPYCRAKMVCXLM-OAHLLOKOSA-N 1 0 340.493 1.676 20 70 EDIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159709042 206259002 /nfs/dbraw/zinc/25/90/02/206259002.db2.gz UOMQDDFNZFEUIZ-QGZVFWFLSA-N 1 0 343.402 1.632 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000159953269 206270994 /nfs/dbraw/zinc/27/09/94/206270994.db2.gz AIVYXONCSVIFID-RYUDHWBXSA-N 1 0 325.409 1.128 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCn2cnnc2C1 ZINC000159949897 206271933 /nfs/dbraw/zinc/27/19/33/206271933.db2.gz FTEAGLNKJQSUNO-HOCLYGCPSA-N 1 0 340.431 1.324 20 70 EDIDRO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc(OC)c1C ZINC000159976391 206273083 /nfs/dbraw/zinc/27/30/83/206273083.db2.gz BLJLNAJOPBMCHQ-HNNXBMFYSA-N 1 0 336.432 1.589 20 70 EDIDRO COc1ccc(OC)c(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160030118 206276632 /nfs/dbraw/zinc/27/66/32/206276632.db2.gz BYZVLEKLJCLTDW-YXMGTMDOSA-N 1 0 348.443 1.680 20 70 EDIDRO COCC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H](C)C(N)=O ZINC000160033249 206276668 /nfs/dbraw/zinc/27/66/68/206276668.db2.gz UFKFWOQULJTWKG-NSHDSACASA-N 1 0 334.338 1.950 20 70 EDIDRO C[C@H]1C[C@H](NC(=O)N2CCNC(=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160263632 206287978 /nfs/dbraw/zinc/28/79/78/206287978.db2.gz SOSZAJSHOYAURI-HOCLYGCPSA-N 1 0 330.432 1.181 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1CC ZINC000160344856 206291869 /nfs/dbraw/zinc/29/18/69/206291869.db2.gz XPUNFLQWKNHVNA-GFCCVEGCSA-N 1 0 335.452 1.130 20 70 EDIDRO CNS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCCCC2)co1 ZINC000160378543 206294865 /nfs/dbraw/zinc/29/48/65/206294865.db2.gz VIACQTIUJCHPIW-UHFFFAOYSA-N 1 0 343.449 1.184 20 70 EDIDRO CNC(=O)COc1cccc(CC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000161088381 206327641 /nfs/dbraw/zinc/32/76/41/206327641.db2.gz DRSXEFAMIONGPZ-UHFFFAOYSA-N 1 0 347.459 1.154 20 70 EDIDRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000161176477 206332107 /nfs/dbraw/zinc/33/21/07/206332107.db2.gz GAOXZCVYOOYYRP-ZIAGYGMSSA-N 1 0 342.361 1.966 20 70 EDIDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(-n3ccnn3)c2)C[C@H](C)O1 ZINC000161372420 206345390 /nfs/dbraw/zinc/34/53/90/206345390.db2.gz BSSMUKPYLSNSHP-GASCZTMLSA-N 1 0 343.431 1.496 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)CC1 ZINC000161457232 206350245 /nfs/dbraw/zinc/35/02/45/206350245.db2.gz ZEMUBBLOCAQOGH-JXQTWKCFSA-N 1 0 342.386 1.741 20 70 EDIDRO CC(C)n1nccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000160371748 278150812 /nfs/dbraw/zinc/15/08/12/278150812.db2.gz DDIPCPVBDKGSTP-OAHLLOKOSA-N 1 0 335.452 1.137 20 70 EDIDRO CC1CC[NH+](CC(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000160190058 302920704 /nfs/dbraw/zinc/92/07/04/302920704.db2.gz KWGUHPOOOIGTFQ-UHFFFAOYSA-N 1 0 325.497 1.535 20 70 EDIDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc2nc[nH]c21 ZINC000159520650 441817897 /nfs/dbraw/zinc/81/78/97/441817897.db2.gz MNSMRUGYBJBRSQ-UHFFFAOYSA-N 1 0 329.448 1.661 20 70 EDIDRO Cc1cnn(CCCCC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159428901 441812042 /nfs/dbraw/zinc/81/20/42/441812042.db2.gz LXRBFVWWLRMGLB-GOSISDBHSA-N 1 0 347.507 1.776 20 70 EDIDRO [NH3+][C@H](CNC(=O)c1csc(I)c1)C1CC1 ZINC000160127232 441861430 /nfs/dbraw/zinc/86/14/30/441861430.db2.gz FPTPDWOVPTYRJM-MRVPVSSYSA-N 1 0 336.198 1.820 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1OC(F)F ZINC000160198076 441865328 /nfs/dbraw/zinc/86/53/28/441865328.db2.gz ZNIKGSUNLCKOML-GFCCVEGCSA-N 1 0 328.359 1.865 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000160226624 441866493 /nfs/dbraw/zinc/86/64/93/441866493.db2.gz OHSMUMXSMZERKR-CYBMUJFWSA-N 1 0 329.400 1.517 20 70 EDIDRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160220200 441866728 /nfs/dbraw/zinc/86/67/28/441866728.db2.gz ISGNAQFQJIRVQG-GFCCVEGCSA-N 1 0 339.461 1.245 20 70 EDIDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cnc3ccccn23)CC1 ZINC000160237002 441868475 /nfs/dbraw/zinc/86/84/75/441868475.db2.gz JJLBSFWBBUKWGN-KRWDZBQOSA-N 1 0 327.476 1.936 20 70 EDIDRO COc1cc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc2c1OCCO2 ZINC000159822893 441840220 /nfs/dbraw/zinc/84/02/20/441840220.db2.gz GQRHGJPQCWATDA-FKZIUMHTSA-N 1 0 344.411 1.833 20 70 EDIDRO Cn1cnc2cc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cnc21 ZINC000159913393 441846315 /nfs/dbraw/zinc/84/63/15/441846315.db2.gz LGPRGIGZVPHQAV-OAHLLOKOSA-N 1 0 327.432 1.963 20 70 EDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000160614473 441902126 /nfs/dbraw/zinc/90/21/26/441902126.db2.gz FXCSRAMXPGTLAA-IAGOWNOFSA-N 1 0 342.443 1.353 20 70 EDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccccc2O)CC1 ZINC000160741340 441915871 /nfs/dbraw/zinc/91/58/71/441915871.db2.gz YNIXKEFGSKGTPE-MRXNPFEDSA-N 1 0 344.459 1.708 20 70 EDIDRO C[C@H](CCOc1ccccc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160531028 441893123 /nfs/dbraw/zinc/89/31/23/441893123.db2.gz ZRXKQWTYGYAWRF-MRXNPFEDSA-N 1 0 334.460 1.912 20 70 EDIDRO O=C(CCn1cnc2sccc2c1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160536043 441893471 /nfs/dbraw/zinc/89/34/71/441893471.db2.gz CJZRTICVTBCSCX-TXEJJXNPSA-N 1 0 332.429 1.201 20 70 EDIDRO CCC[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CC[N@@H+]1CCOC ZINC000161048976 441950211 /nfs/dbraw/zinc/95/02/11/441950211.db2.gz JRTCYXFJKLYOML-OAHLLOKOSA-N 1 0 345.447 1.541 20 70 EDIDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(C(=O)N2CCCC2)n1)C1CC1 ZINC000161155410 441964547 /nfs/dbraw/zinc/96/45/47/441964547.db2.gz SSFVNLUOEHCPGA-INIZCTEOSA-N 1 0 330.432 1.388 20 70 EDIDRO CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000160274679 540022257 /nfs/dbraw/zinc/02/22/57/540022257.db2.gz LUDBJMPFKOFKGD-WBMJQRKESA-N 1 0 334.420 1.510 20 70 EDIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC[C@@H]21 ZINC000161268612 540032164 /nfs/dbraw/zinc/03/21/64/540032164.db2.gz LJFASPPITJSUGL-NHYWBVRUSA-N 1 0 334.395 1.873 20 70 EDIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878824 206268737 /nfs/dbraw/zinc/26/87/37/206268737.db2.gz HATOFCJDKLQWPA-VXGBXAGGSA-N 1 0 330.392 1.152 20 70 EDIDRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1nc[nH]n1 ZINC000160010877 206274173 /nfs/dbraw/zinc/27/41/73/206274173.db2.gz LRLKRHBPBPZSLY-IPYPFGDCSA-N 1 0 328.420 1.685 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)NC3CC[NH+](C(C)C)CC3)no2)c1 ZINC000160238718 206286500 /nfs/dbraw/zinc/28/65/00/206286500.db2.gz BBCJBPRRRHAUGE-UHFFFAOYSA-N 1 0 331.420 1.830 20 70 EDIDRO CN(C)C(=O)Nc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160368113 206292576 /nfs/dbraw/zinc/29/25/76/206292576.db2.gz WRXAMKKIBLAWGY-INIZCTEOSA-N 1 0 348.447 1.357 20 70 EDIDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160498898 206299975 /nfs/dbraw/zinc/29/99/75/206299975.db2.gz DXRICPTYDAWHOS-IINYFYTJSA-N 1 0 341.814 1.898 20 70 EDIDRO Cn1nccc1/C=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160507524 206300279 /nfs/dbraw/zinc/30/02/79/206300279.db2.gz NDFWSNOPFOMXNM-NGHLMZTLSA-N 1 0 332.448 1.317 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2cccc(I)c2)C1 ZINC000160540456 206302841 /nfs/dbraw/zinc/30/28/41/206302841.db2.gz HUMYFSPNYURYTD-LBPRGKRZSA-N 1 0 344.196 1.654 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000160977155 206321151 /nfs/dbraw/zinc/32/11/51/206321151.db2.gz SUNGYXMAXSRFCX-JYJNAYRXSA-N 1 0 345.443 1.300 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000160604978 206306185 /nfs/dbraw/zinc/30/61/85/206306185.db2.gz VAUOAIGMEOVPPA-ZDUSSCGKSA-N 1 0 328.359 1.865 20 70 EDIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)[C@]3(C)CC[NH2+]C3)ccc2NC1=O ZINC000161370601 206345020 /nfs/dbraw/zinc/34/50/20/206345020.db2.gz NTVMHKRBRIKEGR-UCMVZMLTSA-N 1 0 331.416 1.973 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000160400059 276005369 /nfs/dbraw/zinc/00/53/69/276005369.db2.gz WLLCAVRVWOSMIP-LBPRGKRZSA-N 1 0 335.370 1.342 20 70 EDIDRO COc1cc(Cl)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000161415309 302926330 /nfs/dbraw/zinc/92/63/30/302926330.db2.gz ODEVNGTWWBXVNP-OAHLLOKOSA-N 1 0 330.812 1.400 20 70 EDIDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C1CC1 ZINC000160133607 441861676 /nfs/dbraw/zinc/86/16/76/441861676.db2.gz HJOJXBLISWJHRB-GWCFXTLKSA-N 1 0 344.381 1.990 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)n1 ZINC000160382809 441874672 /nfs/dbraw/zinc/87/46/72/441874672.db2.gz LBKOOVAXTCGAKZ-UHFFFAOYSA-N 1 0 337.468 1.572 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CCO1 ZINC000160272340 441868995 /nfs/dbraw/zinc/86/89/95/441868995.db2.gz OBCFEBZTAHXKRA-QGZVFWFLSA-N 1 0 340.512 1.615 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000160304772 441871231 /nfs/dbraw/zinc/87/12/31/441871231.db2.gz GOEMNPBZUPKSJC-RBSFLKMASA-N 1 0 333.498 1.050 20 70 EDIDRO CNC(=O)[C@H]1CCCN1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000159617593 441824613 /nfs/dbraw/zinc/82/46/13/441824613.db2.gz JYUFEUJBIFTVEK-MRXNPFEDSA-N 1 0 338.496 1.665 20 70 EDIDRO CC(C)(C)C(=O)Cn1cc(C(=O)NCC[NH2+]C2CCCCCC2)nn1 ZINC000159697068 441830660 /nfs/dbraw/zinc/83/06/60/441830660.db2.gz RDPQWVHZUMDDTH-UHFFFAOYSA-N 1 0 349.479 1.936 20 70 EDIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(CC)(CC)C(=O)OC)C1 ZINC000159768677 441836625 /nfs/dbraw/zinc/83/66/25/441836625.db2.gz PKLURNYFAFDMSF-AWEZNQCLSA-N 1 0 327.469 1.997 20 70 EDIDRO CC(=O)NCCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000159794352 441837988 /nfs/dbraw/zinc/83/79/88/441837988.db2.gz ADHTWONWDJLCPZ-UHFFFAOYSA-N 1 0 333.436 1.076 20 70 EDIDRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C)c1 ZINC000160603738 441901316 /nfs/dbraw/zinc/90/13/16/441901316.db2.gz LISOOBPFDATJBG-INIZCTEOSA-N 1 0 338.473 1.429 20 70 EDIDRO CC(=O)N(C)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160837834 441926381 /nfs/dbraw/zinc/92/63/81/441926381.db2.gz JZEQVXOOYCKIAN-OAHLLOKOSA-N 1 0 336.480 1.656 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1SCCc2sccc21 ZINC000160685691 441909656 /nfs/dbraw/zinc/90/96/56/441909656.db2.gz AUUKKRFVGPECCR-HNNXBMFYSA-N 1 0 340.514 1.899 20 70 EDIDRO CCCc1c(C(=O)NCC2CC[NH+](CCO)CC2)[nH]c(C)c1C(C)=O ZINC000160712010 441913393 /nfs/dbraw/zinc/91/33/93/441913393.db2.gz YQZDRBZZFMJMDA-UHFFFAOYSA-N 1 0 349.475 1.912 20 70 EDIDRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160823279 441925133 /nfs/dbraw/zinc/92/51/33/441925133.db2.gz XKKLRPPTCIETLH-BQFCYCMXSA-N 1 0 335.448 1.519 20 70 EDIDRO Cc1c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cnn1C ZINC000160402527 441877449 /nfs/dbraw/zinc/87/74/49/441877449.db2.gz HABDKLRRDQTJNY-GFCCVEGCSA-N 1 0 336.461 1.830 20 70 EDIDRO Cc1c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cnn1C ZINC000160402389 441877645 /nfs/dbraw/zinc/87/76/45/441877645.db2.gz HABDKLRRDQTJNY-LBPRGKRZSA-N 1 0 336.461 1.830 20 70 EDIDRO CCCN(C)c1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000160565102 441898078 /nfs/dbraw/zinc/89/80/78/441898078.db2.gz XGCFVALUZJOMSI-UHFFFAOYSA-N 1 0 333.476 1.967 20 70 EDIDRO CCOc1ccccc1C(=O)NCCCC(=O)N1CCC[C@H]1C[NH2+]C ZINC000161245642 441975756 /nfs/dbraw/zinc/97/57/56/441975756.db2.gz NNKDYNXZVSGBPV-HNNXBMFYSA-N 1 0 347.459 1.806 20 70 EDIDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000161066403 441952471 /nfs/dbraw/zinc/95/24/71/441952471.db2.gz FHOMVCFFMRYBSQ-RDJZCZTQSA-N 1 0 331.464 1.392 20 70 EDIDRO CC[NH+]1CCN(c2ccc(NC(=O)NC3(C(N)=O)CC3)c(C)c2)CC1 ZINC000161138594 441961968 /nfs/dbraw/zinc/96/19/68/441961968.db2.gz HVYQOCJFERLGID-UHFFFAOYSA-N 1 0 345.447 1.276 20 70 EDIDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(Br)c1 ZINC000161169875 441966569 /nfs/dbraw/zinc/96/65/69/441966569.db2.gz KFUPRGFWHBLRDH-GFCCVEGCSA-N 1 0 340.265 1.733 20 70 EDIDRO Cn1ccnc1[C@](O)(CCNC(=O)[C@@]1(C)CCC[NH2+]C1)C(F)(F)F ZINC000161344811 441988619 /nfs/dbraw/zinc/98/86/19/441988619.db2.gz OTGHZPTYQRITFT-UONOGXRCSA-N 1 0 348.369 1.066 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccccc2)no1 ZINC000159947132 295676689 /nfs/dbraw/zinc/67/66/89/295676689.db2.gz UOUWQUCSZSFXBT-HNNXBMFYSA-N 1 0 329.400 1.918 20 70 EDIDRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)C[C@H](O)C1CC1 ZINC000160814745 540026902 /nfs/dbraw/zinc/02/69/02/540026902.db2.gz QAZCKUAWKKICPP-ACJLOTCBSA-N 1 0 329.444 1.918 20 70 EDIDRO COc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2=O)cc1 ZINC000160044503 138639204 /nfs/dbraw/zinc/63/92/04/138639204.db2.gz OLGXIBXLQXNXHF-SOUVJXGZSA-N 1 0 343.427 1.401 20 70 EDIDRO COc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1O ZINC000159450571 206247617 /nfs/dbraw/zinc/24/76/17/206247617.db2.gz ZBZAOFIYJHUTFG-HZPDHXFCSA-N 1 0 348.443 1.899 20 70 EDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)NC1CC[NH+](CC)CC1 ZINC000159487061 206248843 /nfs/dbraw/zinc/24/88/43/206248843.db2.gz OVSZNGILMMFEHF-UHFFFAOYSA-N 1 0 345.403 1.120 20 70 EDIDRO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159747322 206260497 /nfs/dbraw/zinc/26/04/97/206260497.db2.gz MNBNOVHLURBBEZ-DOMZBBRYSA-N 1 0 335.835 1.903 20 70 EDIDRO NC(=O)COc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159757371 206262587 /nfs/dbraw/zinc/26/25/87/206262587.db2.gz ZERUVRNBWVCBHY-UHFFFAOYSA-N 1 0 331.416 1.155 20 70 EDIDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000160006509 206274260 /nfs/dbraw/zinc/27/42/60/206274260.db2.gz NOEGXXVODMXFBM-ZBFHGGJFSA-N 1 0 325.478 1.778 20 70 EDIDRO CSc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1F ZINC000160160088 206281624 /nfs/dbraw/zinc/28/16/24/206281624.db2.gz RYWXUKHCABXWFO-GFCCVEGCSA-N 1 0 325.453 1.913 20 70 EDIDRO C[C@]1(O)CCCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160197019 206283007 /nfs/dbraw/zinc/28/30/07/206283007.db2.gz UNFSLLYHMNHRDE-SFHVURJKSA-N 1 0 332.448 1.602 20 70 EDIDRO C[C@@]1(O)CCCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160197147 206283361 /nfs/dbraw/zinc/28/33/61/206283361.db2.gz UNFSLLYHMNHRDE-GOSISDBHSA-N 1 0 332.448 1.602 20 70 EDIDRO CN(C)c1nc2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)ccc2o1 ZINC000160401189 206296112 /nfs/dbraw/zinc/29/61/12/206296112.db2.gz PCTOXPIEAXNZOG-LBPRGKRZSA-N 1 0 345.403 1.043 20 70 EDIDRO COc1cccc(OC)c1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160508278 206300423 /nfs/dbraw/zinc/30/04/23/206300423.db2.gz XDVLKQMFOWUWQH-CQSZACIVSA-N 1 0 336.432 1.209 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)c2cc(OC)c3c(c2)OCCO3)CC1 ZINC000161135571 206329980 /nfs/dbraw/zinc/32/99/80/206329980.db2.gz YTIRTRXNWWRTQV-UHFFFAOYSA-N 1 0 334.416 1.928 20 70 EDIDRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000161345672 206343507 /nfs/dbraw/zinc/34/35/07/206343507.db2.gz LMOJTIYPSYDETR-ZDUSSCGKSA-N 1 0 329.397 1.188 20 70 EDIDRO CCC[C@@H]1CN(C(=O)Nc2nnc3ccccn32)CC[N@@H+]1CCOC ZINC000161424023 206348659 /nfs/dbraw/zinc/34/86/59/206348659.db2.gz HOSVMASXQLOTSJ-CQSZACIVSA-N 1 0 346.435 1.694 20 70 EDIDRO CCCc1noc(CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000160245422 267499923 /nfs/dbraw/zinc/49/99/23/267499923.db2.gz BJHDLUXRHAZHGL-AWEZNQCLSA-N 1 0 338.452 1.308 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000160444101 272929593 /nfs/dbraw/zinc/92/95/93/272929593.db2.gz KABXXCOCGWONKW-OAHLLOKOSA-N 1 0 328.416 1.449 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccncc2)on1 ZINC000160446200 272929658 /nfs/dbraw/zinc/92/96/58/272929658.db2.gz DKUHRJPWMSUIMY-AWEZNQCLSA-N 1 0 330.388 1.313 20 70 EDIDRO CCCCc1noc([C@@H](C)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000159398425 441810481 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CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000160717819 441913594 /nfs/dbraw/zinc/91/35/94/441913594.db2.gz YVCYQCAHBHJZOL-TXEJJXNPSA-N 1 0 342.848 1.710 20 70 EDIDRO CC(=O)Nc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1C ZINC000160390074 441876699 /nfs/dbraw/zinc/87/66/99/441876699.db2.gz PRYLYGDBVJFEDR-MRXNPFEDSA-N 1 0 333.432 1.530 20 70 EDIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCN(CC(F)F)CC1 ZINC000160442747 441883640 /nfs/dbraw/zinc/88/36/40/441883640.db2.gz HNMHMJSJSGFHJH-CYBMUJFWSA-N 1 0 330.423 1.453 20 70 EDIDRO COc1ccccc1-c1nnc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000160535705 441894141 /nfs/dbraw/zinc/89/41/41/441894141.db2.gz QEKLLLSEMSGZTM-NWDGAFQWSA-N 1 0 330.388 1.831 20 70 EDIDRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000160960654 441941576 /nfs/dbraw/zinc/94/15/76/441941576.db2.gz PGGDRQCFGILWBO-AWEZNQCLSA-N 1 0 327.812 1.729 20 70 EDIDRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161152825 441963191 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EDIDRO C[C@@H](CC(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccncc1 ZINC000159553696 540010663 /nfs/dbraw/zinc/01/06/63/540010663.db2.gz ZSLXHNNGFBNZQZ-INIZCTEOSA-N 1 0 332.492 1.965 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000159469071 540009988 /nfs/dbraw/zinc/00/99/88/540009988.db2.gz NIMWVUUAQAURRR-CYBMUJFWSA-N 1 0 345.447 1.387 20 70 EDIDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160770737 540026374 /nfs/dbraw/zinc/02/63/74/540026374.db2.gz UPQSKDMAWABASB-ZBFHGGJFSA-N 1 0 347.459 1.449 20 70 EDIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccccc1-n1cnnn1 ZINC000159651799 206258258 /nfs/dbraw/zinc/25/82/58/206258258.db2.gz VFMFEEGZXOWAII-UHFFFAOYSA-N 1 0 328.420 1.705 20 70 EDIDRO Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1S(=O)(=O)NC1CC1 ZINC000160099813 206278807 /nfs/dbraw/zinc/27/88/07/206278807.db2.gz DPNJVSBCNXJGNP-CQSZACIVSA-N 1 0 339.461 1.748 20 70 EDIDRO CCCN(CC)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000160323328 206290602 /nfs/dbraw/zinc/29/06/02/206290602.db2.gz XRFVXZNWSUFHGI-KRWDZBQOSA-N 1 0 348.491 1.895 20 70 EDIDRO O=C(COc1ccc(F)c(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160421252 206295808 /nfs/dbraw/zinc/29/58/08/206295808.db2.gz DURFAHBONALQCA-GFCCVEGCSA-N 1 0 344.814 1.821 20 70 EDIDRO C[N@H+](CCO)C1CCN(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000161141908 206331468 /nfs/dbraw/zinc/33/14/68/206331468.db2.gz BZSXAWFJTXNKIC-UHFFFAOYSA-N 1 0 325.840 1.938 20 70 EDIDRO COc1ccc([C@H](CNC(=O)N2CC[C@@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000160822380 206315181 /nfs/dbraw/zinc/31/51/81/206315181.db2.gz JBFJNJZJSHJUSX-QAPCUYQASA-N 1 0 347.459 1.856 20 70 EDIDRO COc1ccc([C@H](CNC(=O)N2CC[C@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000160822128 206315797 /nfs/dbraw/zinc/31/57/97/206315797.db2.gz JBFJNJZJSHJUSX-YJBOKZPZSA-N 1 0 347.459 1.856 20 70 EDIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000161018787 206324146 /nfs/dbraw/zinc/32/41/46/206324146.db2.gz URNGHLSGZDMRIO-CYBMUJFWSA-N 1 0 341.411 1.761 20 70 EDIDRO COCCC1(CNC(=O)NCC2([NH+](C)C)CCOCC2)CCC1 ZINC000161135782 206329276 /nfs/dbraw/zinc/32/92/76/206329276.db2.gz ATDFDRQAOPHEHE-UHFFFAOYSA-N 1 0 327.469 1.603 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2n(c1=O)CCS2 ZINC000160565989 206304730 /nfs/dbraw/zinc/30/47/30/206304730.db2.gz NHXGTEBZUAXYBU-GFCCVEGCSA-N 1 0 336.461 1.199 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC000160566575 206305438 /nfs/dbraw/zinc/30/54/38/206305438.db2.gz OVXNVWIYDDTZBA-GFCCVEGCSA-N 1 0 334.445 1.606 20 70 EDIDRO CCC[C@H]1CN(C(=O)NCc2nccs2)CC[N@@H+]1CCOC ZINC000160618891 206305956 /nfs/dbraw/zinc/30/59/56/206305956.db2.gz GIDNIBULBLHXIR-ZDUSSCGKSA-N 1 0 326.466 1.785 20 70 EDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000161411120 206345948 /nfs/dbraw/zinc/34/59/48/206345948.db2.gz YQDSEXKPEWUARB-SJORKVTESA-N 1 0 345.491 1.049 20 70 EDIDRO Cc1[nH]c(=O)ccc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000161486444 206352020 /nfs/dbraw/zinc/35/20/20/206352020.db2.gz HTDXECILLKDBOM-HNNXBMFYSA-N 1 0 332.448 1.338 20 70 EDIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000160115238 225341555 /nfs/dbraw/zinc/34/15/55/225341555.db2.gz UGLNGHRBEPDCAY-LLVKDONJSA-N 1 0 341.408 1.347 20 70 EDIDRO CC(C)(O)CC[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000159626474 277313270 /nfs/dbraw/zinc/31/32/70/277313270.db2.gz PIPABGJSJZJSTH-OAHLLOKOSA-N 1 0 339.867 1.645 20 70 EDIDRO CNC(=O)c1cccc(CCC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000159377249 302917394 /nfs/dbraw/zinc/91/73/94/302917394.db2.gz CPDYKBBIMZIQIX-HNNXBMFYSA-N 1 0 331.460 1.827 20 70 EDIDRO COc1ccccc1N1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000160121998 441859871 /nfs/dbraw/zinc/85/98/71/441859871.db2.gz JBJQOEQCIIXNCM-SOUVJXGZSA-N 1 0 343.427 1.401 20 70 EDIDRO O=C(COCCOc1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160168916 441863365 /nfs/dbraw/zinc/86/33/65/441863365.db2.gz RLOVKIUAFOBGPQ-INIZCTEOSA-N 1 0 336.432 1.045 20 70 EDIDRO [NH3+][C@@H]1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC000160267618 441868955 /nfs/dbraw/zinc/86/89/55/441868955.db2.gz WNUWUAXWJLOYCE-OAHLLOKOSA-N 1 0 348.406 1.618 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000159926792 441848058 /nfs/dbraw/zinc/84/80/58/441848058.db2.gz UJADVPWPXIVXAA-UHFFFAOYSA-N 1 0 331.395 1.964 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000159958177 441849942 /nfs/dbraw/zinc/84/99/42/441849942.db2.gz FZILTFNKGCGXFH-LBPRGKRZSA-N 1 0 341.502 1.503 20 70 EDIDRO Cc1c(CCC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000160002370 441854686 /nfs/dbraw/zinc/85/46/86/441854686.db2.gz CRLMQJRQQUSLBE-DAYGRLMNSA-N 1 0 348.491 1.761 20 70 EDIDRO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000160398534 441877552 /nfs/dbraw/zinc/87/75/52/441877552.db2.gz CZPCNONFJFXPKL-UHFFFAOYSA-N 1 0 345.491 1.783 20 70 EDIDRO C[C@@H]1CCO[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000160405096 441878004 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O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000161090745 441955698 /nfs/dbraw/zinc/95/56/98/441955698.db2.gz BMYXOZDVKBABMN-VUHPKUFZSA-N 1 0 336.476 1.783 20 70 EDIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1ccc(C(=O)OC)cc1 ZINC000161107776 441958154 /nfs/dbraw/zinc/95/81/54/441958154.db2.gz FDUPGYBWQLMZAN-INIZCTEOSA-N 1 0 347.415 1.469 20 70 EDIDRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCS(=O)(=O)C1)CC2 ZINC000161362244 441991504 /nfs/dbraw/zinc/99/15/04/441991504.db2.gz LDPNFBDMCWBQBW-JZLYGMAVSA-N 1 0 334.441 1.596 20 70 EDIDRO Cc1noc(C)c1S(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000161437498 441998955 /nfs/dbraw/zinc/99/89/55/441998955.db2.gz VWFMVBGZTIQPPG-NSHDSACASA-N 1 0 345.465 1.005 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2cccc(N3CCCC3=O)c2)C1 ZINC000161352252 486643981 /nfs/dbraw/zinc/64/39/81/486643981.db2.gz OSVYLBNTPKDXKT-ZIAGYGMSSA-N 1 0 331.416 1.578 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)CCCc2ccccc2)C1 ZINC000161495639 486644760 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O=C(c1ccnc(-n2ccnc2)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159869124 206266577 /nfs/dbraw/zinc/26/65/77/206266577.db2.gz PVVDUVQGUFAWLC-UHFFFAOYSA-N 1 0 325.416 1.872 20 70 EDIDRO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159844591 206267305 /nfs/dbraw/zinc/26/73/05/206267305.db2.gz NXRFJLWEBLDOIC-RDJZCZTQSA-N 1 0 347.459 1.397 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2)nc1 ZINC000159957497 206272369 /nfs/dbraw/zinc/27/23/69/206272369.db2.gz ZREFDYNYTOYUDS-INIZCTEOSA-N 1 0 332.448 1.258 20 70 EDIDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000159982756 206273064 /nfs/dbraw/zinc/27/30/64/206273064.db2.gz UWDWCFVOYGENQR-GOSISDBHSA-N 1 0 331.460 1.490 20 70 EDIDRO C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000160069420 206277150 /nfs/dbraw/zinc/27/71/50/206277150.db2.gz SUAHJZPQQWDDQT-OAHLLOKOSA-N 1 0 331.464 1.392 20 70 EDIDRO C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160123481 206280670 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EDIDRO CN1CCN([C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000159637728 441826250 /nfs/dbraw/zinc/82/62/50/441826250.db2.gz MXHIATAUIZRPNH-OTWHNJEPSA-N 1 0 342.487 1.328 20 70 EDIDRO Cc1nc2ccccn2c1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000159764049 441836687 /nfs/dbraw/zinc/83/66/87/441836687.db2.gz ANUYTUMYYIWOQW-UHFFFAOYSA-N 1 0 341.459 1.383 20 70 EDIDRO O=C(CCCNC(=O)c1ccc(F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160006527 441853769 /nfs/dbraw/zinc/85/37/69/441853769.db2.gz XWPDLSXLIUWHOT-IYBDPMFKSA-N 1 0 333.407 1.689 20 70 EDIDRO COC(=O)[C@H](c1cccnc1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000160078810 441856634 /nfs/dbraw/zinc/85/66/34/441856634.db2.gz DQSLQKNIZNOZPN-MSOLQXFVSA-N 1 0 346.475 1.398 20 70 EDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000160614603 441901627 /nfs/dbraw/zinc/90/16/27/441901627.db2.gz FXCSRAMXPGTLAA-SJORKVTESA-N 1 0 342.443 1.353 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(N2CCCC2)c(F)c1 ZINC000160658075 441905219 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C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCN1C(=O)CNC1=O ZINC000161232501 441975001 /nfs/dbraw/zinc/97/50/01/441975001.db2.gz HWCOIUSPQFWEEO-UHFFFAOYSA-N 1 0 341.415 1.493 20 70 EDIDRO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160899746 441933544 /nfs/dbraw/zinc/93/35/44/441933544.db2.gz VHPKQJPYSVERNT-CABCVRRESA-N 1 0 336.480 1.704 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000161374484 441992511 /nfs/dbraw/zinc/99/25/11/441992511.db2.gz VYYYOCXTRWBHBJ-JCYILVPMSA-N 1 0 341.521 1.231 20 70 EDIDRO CCCS(=O)(=O)NC1CC[NH+](CCCCn2ccnc2C)CC1 ZINC000161397969 441995278 /nfs/dbraw/zinc/99/52/78/441995278.db2.gz YZWUYVDFJBNFFA-UHFFFAOYSA-N 1 0 342.509 1.766 20 70 EDIDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161433600 441999693 /nfs/dbraw/zinc/99/96/93/441999693.db2.gz OYXOHADQYKVTLI-QGZVFWFLSA-N 1 0 332.444 1.961 20 70 EDIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000161279451 441980796 /nfs/dbraw/zinc/98/07/96/441980796.db2.gz SVTYQNCTIAQPSQ-GDBMZVCRSA-N 1 0 345.443 1.791 20 70 EDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@@H](C)C1 ZINC000161291059 441981503 /nfs/dbraw/zinc/98/15/03/441981503.db2.gz ZVSRCFRNLJFXBS-NHYWBVRUSA-N 1 0 331.416 1.352 20 70 EDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C1 ZINC000161290932 441981680 /nfs/dbraw/zinc/98/16/80/441981680.db2.gz ZVSRCFRNLJFXBS-ABAIWWIYSA-N 1 0 331.416 1.352 20 70 EDIDRO CCc1ccc(C(=O)N2CCC(C(=O)NC[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000161316484 441985133 /nfs/dbraw/zinc/98/51/33/441985133.db2.gz OTXZMJXEJZGJFW-CQSZACIVSA-N 1 0 347.459 1.762 20 70 EDIDRO CC(C)C[C@H](CNC(=O)[C@H](C)C1CCOCC1)N1CCOCC1 ZINC000161501376 442005671 /nfs/dbraw/zinc/00/56/71/442005671.db2.gz HKJVYRYKKGDQIB-NVXWUHKLSA-N 1 0 326.481 1.912 20 70 EDIDRO CCC[NH+]1CCC(NC(=O)c2cc(Cn3cc(C)cn3)on2)CC1 ZINC000159746997 318421097 /nfs/dbraw/zinc/42/10/97/318421097.db2.gz SVIRTANOAYATDH-UHFFFAOYSA-N 1 0 331.420 1.832 20 70 EDIDRO C[C@@H](C(=O)NCCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161378161 540033378 /nfs/dbraw/zinc/03/33/78/540033378.db2.gz DUTAHUKEVSUZKZ-KRWDZBQOSA-N 1 0 338.455 1.951 20 70 EDIDRO CN(Cc1cccn1C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000161051670 138642099 /nfs/dbraw/zinc/64/20/99/138642099.db2.gz WOSYKMBCAMZXOH-HNNXBMFYSA-N 1 0 334.464 1.667 20 70 EDIDRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000159957936 206271188 /nfs/dbraw/zinc/27/11/88/206271188.db2.gz IFKNHVDXSRWNHE-UHFFFAOYSA-N 1 0 327.450 1.231 20 70 EDIDRO COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CC[C@@H]([NH3+])C2)CC1=O ZINC000160227269 206284550 /nfs/dbraw/zinc/28/45/50/206284550.db2.gz ADBSYXGNFOTGDA-ZYHUDNBSSA-N 1 0 337.807 1.261 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]nc1-c1ccccc1F ZINC000160282029 206288410 /nfs/dbraw/zinc/28/84/10/206288410.db2.gz OJTKHUFQQRJFTJ-CYBMUJFWSA-N 1 0 346.406 1.792 20 70 EDIDRO COc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000160350255 206291723 /nfs/dbraw/zinc/29/17/23/206291723.db2.gz BDMVHFYSNRCQJC-HNNXBMFYSA-N 1 0 338.423 1.730 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)no2)c1 ZINC000160373965 206293317 /nfs/dbraw/zinc/29/33/17/206293317.db2.gz SBKVLCXGBZXERG-YOEHRIQHSA-N 1 0 343.431 1.784 20 70 EDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000160433608 206298056 /nfs/dbraw/zinc/29/80/56/206298056.db2.gz DETSHNUATAYKHN-UHFFFAOYSA-N 1 0 338.839 1.973 20 70 EDIDRO O=S(=O)(Cc1c(F)cccc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160562587 206303881 /nfs/dbraw/zinc/30/38/81/206303881.db2.gz DRNHMLGMVGEWPS-NSHDSACASA-N 1 0 330.400 1.869 20 70 EDIDRO CCc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000160491999 206300757 /nfs/dbraw/zinc/30/07/57/206300757.db2.gz HOEOWIYDNNWHTI-AWEZNQCLSA-N 1 0 335.448 1.665 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000160716717 206310208 /nfs/dbraw/zinc/31/02/08/206310208.db2.gz SPGMHTZWEQYLRL-GDBMZVCRSA-N 1 0 334.439 1.157 20 70 EDIDRO CC(C)[NH+]1CCC(NC(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000161075095 206326964 /nfs/dbraw/zinc/32/69/64/206326964.db2.gz WVRZZTNKHBRBDN-UHFFFAOYSA-N 1 0 332.448 1.581 20 70 EDIDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2nocc2C)c1 ZINC000161293726 206340738 /nfs/dbraw/zinc/34/07/38/206340738.db2.gz UURPOIFKZZTTMQ-UHFFFAOYSA-N 1 0 330.388 1.690 20 70 EDIDRO COc1ccc(CCCC(=O)NC[C@@](C)(O)C[NH+](C)C)c(OC)c1 ZINC000161415051 206345910 /nfs/dbraw/zinc/34/59/10/206345910.db2.gz FKFLHYXIQFEUKM-GOSISDBHSA-N 1 0 338.448 1.455 20 70 EDIDRO CC(C)(C)c1nc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000159407580 441809510 /nfs/dbraw/zinc/80/95/10/441809510.db2.gz NCNSAMVZWNXWQU-CYBMUJFWSA-N 1 0 335.452 1.281 20 70 EDIDRO Cc1ccccc1NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159407292 441809595 /nfs/dbraw/zinc/80/95/95/441809595.db2.gz HHJJZSMKIPOFBC-QGZVFWFLSA-N 1 0 344.459 1.348 20 70 EDIDRO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000159437894 441813807 /nfs/dbraw/zinc/81/38/07/441813807.db2.gz PSQYSMMHLSUHRA-GJZGRUSLSA-N 1 0 331.420 1.398 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(c2ccccc2)=NO1 ZINC000160122949 441860467 /nfs/dbraw/zinc/86/04/67/441860467.db2.gz UEBPEZVOXXTBKF-NVXWUHKLSA-N 1 0 331.416 1.143 20 70 EDIDRO Cn1cc(-c2nc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cs2)cn1 ZINC000160244623 441867789 /nfs/dbraw/zinc/86/77/89/441867789.db2.gz JHUFYTUGJIQKME-ZDUSSCGKSA-N 1 0 349.460 1.120 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000159787825 441837962 /nfs/dbraw/zinc/83/79/62/441837962.db2.gz QAJIXCODCPUYET-UHFFFAOYSA-N 1 0 348.447 1.891 20 70 EDIDRO CCn1nc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1Cl ZINC000160011467 441853819 /nfs/dbraw/zinc/85/38/19/441853819.db2.gz ITDXINPHTCDFQP-GFCCVEGCSA-N 1 0 328.844 1.441 20 70 EDIDRO C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)c1c(F)cccc1F ZINC000160010606 441854128 /nfs/dbraw/zinc/85/41/28/441854128.db2.gz FDHFGLVALPITCV-LBPRGKRZSA-N 1 0 326.387 1.889 20 70 EDIDRO CO[C@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000160021214 441854311 /nfs/dbraw/zinc/85/43/11/441854311.db2.gz HTQKEKAXBWDDGA-IRXDYDNUSA-N 1 0 332.448 1.913 20 70 EDIDRO Cc1cc(-n2cncn2)ccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160608554 441901304 /nfs/dbraw/zinc/90/13/04/441901304.db2.gz HYYGVYNOSUUTSV-UHFFFAOYSA-N 1 0 343.431 1.010 20 70 EDIDRO CCOc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1OC ZINC000160623395 441902906 /nfs/dbraw/zinc/90/29/06/441902906.db2.gz AMFXOMUZFXJZOZ-UHFFFAOYSA-N 1 0 336.432 1.528 20 70 EDIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160829539 441926554 /nfs/dbraw/zinc/92/65/54/441926554.db2.gz FCVLPPBHTZFDKG-CHWSQXEVSA-N 1 0 329.404 1.757 20 70 EDIDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cnn1C1CCOCC1 ZINC000160523675 441892666 /nfs/dbraw/zinc/89/26/66/441892666.db2.gz JSZWIELPRAIRKQ-INIZCTEOSA-N 1 0 332.448 1.853 20 70 EDIDRO COc1ccc2[nH]cc(CC(=O)NCC3CC[NH+](CCO)CC3)c2c1 ZINC000160593575 441899581 /nfs/dbraw/zinc/89/95/81/441899581.db2.gz CPDHPFBVLLNUHS-UHFFFAOYSA-N 1 0 345.443 1.540 20 70 EDIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N1CCNC1=O ZINC000161238795 441975976 /nfs/dbraw/zinc/97/59/76/441975976.db2.gz NRUBFKHDIGXGDU-UHFFFAOYSA-N 1 0 341.415 1.493 20 70 EDIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3c[nH]cn3)CC2)CC1 ZINC000160948384 441938969 /nfs/dbraw/zinc/93/89/69/441938969.db2.gz HRSNXDXSWKEBHV-UHFFFAOYSA-N 1 0 326.466 1.731 20 70 EDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000161447662 442001062 /nfs/dbraw/zinc/00/10/62/442001062.db2.gz WSLJINWNTZLJSH-INIZCTEOSA-N 1 0 328.478 1.575 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2cnc3c4ccccc4oc3c2=O)C1 ZINC000160924133 486640387 /nfs/dbraw/zinc/64/03/87/486640387.db2.gz VVEWHPYPQJMSFB-NWDGAFQWSA-N 1 0 340.383 1.529 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000160458232 528945565 /nfs/dbraw/zinc/94/55/65/528945565.db2.gz DCVJEKGBJMFHIQ-CQSZACIVSA-N 1 0 337.489 1.915 20 70 EDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000159737228 540013400 /nfs/dbraw/zinc/01/34/00/540013400.db2.gz ASRCSQDGAKNMFN-INIZCTEOSA-N 1 0 338.496 1.902 20 70 EDIDRO COc1cccc(N2CCC[C@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2=O)c1 ZINC000159523641 138636966 /nfs/dbraw/zinc/63/69/66/138636966.db2.gz RQGYBWZLCDDMJS-BBRMVZONSA-N 1 0 331.416 1.449 20 70 EDIDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000217970615 139020760 /nfs/dbraw/zinc/02/07/60/139020760.db2.gz KGKZILMOZAUXKZ-DVOMOZLQSA-N 1 0 337.439 1.830 20 70 EDIDRO C[C@@H](O)C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1 ZINC000160314037 296179860 /nfs/dbraw/zinc/17/98/60/296179860.db2.gz JMECKLZMORDRSI-CQSZACIVSA-N 1 0 337.464 1.867 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000159652199 206257640 /nfs/dbraw/zinc/25/76/40/206257640.db2.gz JOIFAIOKEMHQAX-OKILXGFUSA-N 1 0 348.491 1.885 20 70 EDIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159478823 206248571 /nfs/dbraw/zinc/24/85/71/206248571.db2.gz PTQRJBWEUXTIRX-XJKSGUPXSA-N 1 0 330.432 1.777 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159533441 206251488 /nfs/dbraw/zinc/25/14/88/206251488.db2.gz FMCLKTDOOFXQCF-ZDUSSCGKSA-N 1 0 339.461 1.258 20 70 EDIDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc3[nH]c(=O)n(C)c3c1)C2 ZINC000159560134 206251518 /nfs/dbraw/zinc/25/15/18/206251518.db2.gz XYFKJKKGGAFKQM-LSDHHAIUSA-N 1 0 342.443 1.954 20 70 EDIDRO COc1ccc([C@H](C[NH2+]Cc2cn(C)nc2C)N2CCOCC2)cc1 ZINC000159583139 206253510 /nfs/dbraw/zinc/25/35/10/206253510.db2.gz RYFRKFQDMZJLHN-IBGZPJMESA-N 1 0 344.459 1.900 20 70 EDIDRO CSC[C@@](C)(O)CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000159587275 206253768 /nfs/dbraw/zinc/25/37/68/206253768.db2.gz HOUGQMRQWVVXML-PBHICJAKSA-N 1 0 339.505 1.920 20 70 EDIDRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159897632 206270126 /nfs/dbraw/zinc/27/01/26/206270126.db2.gz HPWGVBDKWXZNSU-OLZOCXBDSA-N 1 0 344.419 1.541 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCOc2ncccc2Cl)CC1 ZINC000159989886 206274856 /nfs/dbraw/zinc/27/48/56/206274856.db2.gz SPRNIRDXCFIKJU-UHFFFAOYSA-N 1 0 326.828 1.851 20 70 EDIDRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCC[NH3+] ZINC000160125177 206281063 /nfs/dbraw/zinc/28/10/63/206281063.db2.gz CRRUYNGBZTWICS-IBGZPJMESA-N 1 0 341.455 1.988 20 70 EDIDRO Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160548613 206303078 /nfs/dbraw/zinc/30/30/78/206303078.db2.gz XEOCCSXIVMJSKO-KTRBRXNASA-N 1 0 340.855 1.358 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2)cn1 ZINC000160660927 206307577 /nfs/dbraw/zinc/30/75/77/206307577.db2.gz KTABBWUFNIQFCS-UHFFFAOYSA-N 1 0 340.427 1.919 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160703870 206310596 /nfs/dbraw/zinc/31/05/96/206310596.db2.gz ZOSOERYLTWEENY-RYUDHWBXSA-N 1 0 336.436 1.794 20 70 EDIDRO CC(=O)Nc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000160570034 206304621 /nfs/dbraw/zinc/30/46/21/206304621.db2.gz FGDDUJJVAWGCSP-AWEZNQCLSA-N 1 0 337.395 1.361 20 70 EDIDRO CCOc1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160580691 206305016 /nfs/dbraw/zinc/30/50/16/206305016.db2.gz HEDREWHGCSOJSR-OAHLLOKOSA-N 1 0 336.432 1.427 20 70 EDIDRO C[C@]1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)Cc2ccccc2C(=O)O1 ZINC000160593760 206305225 /nfs/dbraw/zinc/30/52/25/206305225.db2.gz KNDQVETXFPTISS-DNVCBOLYSA-N 1 0 346.427 1.121 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000161151954 206331253 /nfs/dbraw/zinc/33/12/53/206331253.db2.gz MYIXLPZWQHEBRK-DJIMGWMZSA-N 1 0 329.444 1.807 20 70 EDIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000161292405 206340803 /nfs/dbraw/zinc/34/08/03/206340803.db2.gz INRVICPPNTZCSR-CJNGLKHVSA-N 1 0 346.431 1.499 20 70 EDIDRO COC[C@@H](C)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160969911 225517991 /nfs/dbraw/zinc/51/79/91/225517991.db2.gz VVBWREYLSBNLDH-QQFBHYJXSA-N 1 0 332.510 1.984 20 70 EDIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000159677191 267494895 /nfs/dbraw/zinc/49/48/95/267494895.db2.gz CPGYVRNTRMOZIO-HNNXBMFYSA-N 1 0 335.835 1.653 20 70 EDIDRO CC(C)(C)C(=O)NCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160347343 277129193 /nfs/dbraw/zinc/12/91/93/277129193.db2.gz CQKIEZDWYOSQAJ-GJZGRUSLSA-N 1 0 339.480 1.033 20 70 EDIDRO CC(=O)N[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160285806 278171424 /nfs/dbraw/zinc/17/14/24/278171424.db2.gz YVVRJCDMUZCSAW-ZWKOTPCHSA-N 1 0 347.459 1.217 20 70 EDIDRO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCOC1 ZINC000160203487 278378158 /nfs/dbraw/zinc/37/81/58/278378158.db2.gz VPEWMNRBHQOORX-CDMKHQONSA-N 1 0 327.222 1.990 20 70 EDIDRO CCOCCC1(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000159428704 302917623 /nfs/dbraw/zinc/91/76/23/302917623.db2.gz HZTSRVHLLPGTSP-UHFFFAOYSA-N 1 0 346.475 1.770 20 70 EDIDRO O=C(CN1CCN(Cc2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159413511 302917627 /nfs/dbraw/zinc/91/76/27/302917627.db2.gz PBOCHGKBXYIYNI-KDURUIRLSA-N 1 0 342.487 1.157 20 70 EDIDRO CCn1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000160130611 441861386 /nfs/dbraw/zinc/86/13/86/441861386.db2.gz NRKVYOIGGUNAJV-AWEZNQCLSA-N 1 0 326.466 1.542 20 70 EDIDRO O=C(CCn1nc2ccccn2c1=O)NCC[NH2+]C1CCCCCC1 ZINC000159627919 441826676 /nfs/dbraw/zinc/82/66/76/441826676.db2.gz KLWHRRCVIYILTI-UHFFFAOYSA-N 1 0 345.447 1.315 20 70 EDIDRO CC(=O)N1CC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000159923512 441847436 /nfs/dbraw/zinc/84/74/36/441847436.db2.gz KNWFKNXLFWUHGG-QGZVFWFLSA-N 1 0 346.475 1.817 20 70 EDIDRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160040739 441856265 /nfs/dbraw/zinc/85/62/65/441856265.db2.gz QKBGCVPHACTVDK-BHYGNILZSA-N 1 0 332.444 1.762 20 70 EDIDRO CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)CC2 ZINC000160071494 441857039 /nfs/dbraw/zinc/85/70/39/441857039.db2.gz DILCUIKUNHEOTB-UONOGXRCSA-N 1 0 334.468 1.137 20 70 EDIDRO O=C(CCc1c[nH]c2ccccc12)NCC1CC[NH+](CCO)CC1 ZINC000160632617 441903744 /nfs/dbraw/zinc/90/37/44/441903744.db2.gz VXDAUNJEEUIISA-UHFFFAOYSA-N 1 0 329.444 1.921 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000160643499 441905061 /nfs/dbraw/zinc/90/50/61/441905061.db2.gz DEWMEVHMHHRKEA-UHFFFAOYSA-N 1 0 346.406 1.446 20 70 EDIDRO COC(=O)c1ccc(F)c(NC(=O)CN(C)[C@@H]2CCSC2)c1 ZINC000160849377 441927208 /nfs/dbraw/zinc/92/72/08/441927208.db2.gz UXYCRZGLMJLUDZ-LLVKDONJSA-N 1 0 326.393 1.988 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000160385689 441876605 /nfs/dbraw/zinc/87/66/05/441876605.db2.gz QDKASUAQOLSWDH-UHFFFAOYSA-N 1 0 338.452 1.041 20 70 EDIDRO COC(=O)Cn1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000160409819 441878701 /nfs/dbraw/zinc/87/87/01/441878701.db2.gz HLPBAVOYKUSPHP-UHFFFAOYSA-N 1 0 337.424 1.298 20 70 EDIDRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160424720 441880441 /nfs/dbraw/zinc/88/04/41/441880441.db2.gz UMVFOHIHVNRMAF-ZACQAIPSSA-N 1 0 339.480 1.336 20 70 EDIDRO COCC[NH+]1CCC(NC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000160994567 441945128 /nfs/dbraw/zinc/94/51/28/441945128.db2.gz FHOZVXQSOHSFTP-UHFFFAOYSA-N 1 0 348.438 1.080 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1 ZINC000161116823 441959174 /nfs/dbraw/zinc/95/91/74/441959174.db2.gz DJSLLSYGQFMJAY-UHFFFAOYSA-N 1 0 333.432 1.273 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000161119383 441959230 /nfs/dbraw/zinc/95/92/30/441959230.db2.gz HZIYXHKIPZJBKW-GJZGRUSLSA-N 1 0 335.448 1.010 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161303088 441983005 /nfs/dbraw/zinc/98/30/05/441983005.db2.gz HCIMNUDIPVYRLD-UKRRQHHQSA-N 1 0 347.484 1.972 20 70 EDIDRO CCN(CC)C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000160814188 318423850 /nfs/dbraw/zinc/42/38/50/318423850.db2.gz FWBFJQSOZRIPCC-AWEZNQCLSA-N 1 0 333.498 1.279 20 70 EDIDRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161130506 486136673 /nfs/dbraw/zinc/13/66/73/486136673.db2.gz FLTXUIMBARJJAH-CHWSQXEVSA-N 1 0 339.461 1.293 20 70 EDIDRO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000160997574 486641492 /nfs/dbraw/zinc/64/14/92/486641492.db2.gz TXFWCPNCVVEWST-HOTGVXAUSA-N 1 0 348.466 1.967 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNC(=O)N2CCc3ccccc3C2)C1 ZINC000161033891 486642131 /nfs/dbraw/zinc/64/21/31/486642131.db2.gz QMFAMHQZLYGJOB-IAGOWNOFSA-N 1 0 344.459 1.531 20 70 EDIDRO COc1ccc(C(=O)NCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161322042 486643803 /nfs/dbraw/zinc/64/38/03/486643803.db2.gz PXDLQHADPTWOBR-CABCVRRESA-N 1 0 333.432 1.591 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccco2)CC1 ZINC000161018306 535455899 /nfs/dbraw/zinc/45/58/99/535455899.db2.gz SZNMQQIZKYIZQQ-HNNXBMFYSA-N 1 0 333.432 1.732 20 70 EDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159709633 540012856 /nfs/dbraw/zinc/01/28/56/540012856.db2.gz ZHDQSZVJYHSTCM-MRXNPFEDSA-N 1 0 338.496 1.759 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000161163662 283553951 /nfs/dbraw/zinc/55/39/51/283553951.db2.gz IXGYWLGTTMHSIG-INIZCTEOSA-N 1 0 340.427 1.882 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000161230339 283599381 /nfs/dbraw/zinc/59/93/81/283599381.db2.gz FCHRTKMCFZFYGA-LLVKDONJSA-N 1 0 329.397 1.021 20 70 EDIDRO CO[C@H]1CCN(C(=O)c2ccc(Br)cn2)[C@H](C[NH3+])C1 ZINC000161070508 205167107 /nfs/dbraw/zinc/16/71/07/205167107.db2.gz MPKPKPWVTMGECE-QWRGUYRKSA-N 1 0 328.210 1.422 20 70 EDIDRO COc1ccccc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159445100 206246742 /nfs/dbraw/zinc/24/67/42/206246742.db2.gz MZOKNQQXAGJNTO-OAHLLOKOSA-N 1 0 326.462 1.989 20 70 EDIDRO O=C(COc1ccc(F)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159979307 206273213 /nfs/dbraw/zinc/27/32/13/206273213.db2.gz SHMKFNKQUVARHZ-ZDUSSCGKSA-N 1 0 344.814 1.821 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075802 206277763 /nfs/dbraw/zinc/27/77/63/206277763.db2.gz UZJNOLAQJDHPIZ-UKRRQHHQSA-N 1 0 349.406 1.215 20 70 EDIDRO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000160098239 206278650 /nfs/dbraw/zinc/27/86/50/206278650.db2.gz CNTCISAEHSGUIB-NSHDSACASA-N 1 0 348.852 1.829 20 70 EDIDRO CC[C@@H](C(=O)NCC(C)(C)[NH3+])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000160083044 206279625 /nfs/dbraw/zinc/27/96/25/206279625.db2.gz QWKCLRGPHHKNKM-LBPRGKRZSA-N 1 0 336.827 1.798 20 70 EDIDRO C[C@]1(O)CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000160316586 206289082 /nfs/dbraw/zinc/28/90/82/206289082.db2.gz HVOWJOSWHQKYQZ-IBGZPJMESA-N 1 0 331.460 1.991 20 70 EDIDRO C[C@@H](Oc1cccnc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160377543 206294392 /nfs/dbraw/zinc/29/43/92/206294392.db2.gz SHXRLWFVPKMBKG-JLSDUUJJSA-N 1 0 347.459 1.733 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc([C@@H]2CCCO2)n1 ZINC000160427239 206296988 /nfs/dbraw/zinc/29/69/88/206296988.db2.gz MBPIIKLUQSQALD-JSGCOSHPSA-N 1 0 339.461 1.571 20 70 EDIDRO C[N@H+](C[C@H]1CCOC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160685935 206308380 /nfs/dbraw/zinc/30/83/80/206308380.db2.gz LTEIJNHZLDSMRY-MFKMUULPSA-N 1 0 327.222 1.944 20 70 EDIDRO C[C@@H](CNC(=O)NCCNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000161005936 206322339 /nfs/dbraw/zinc/32/23/39/206322339.db2.gz BFLDSEKXJXTZKN-ZDUSSCGKSA-N 1 0 328.457 1.542 20 70 EDIDRO C[NH2+]CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000161290006 206338703 /nfs/dbraw/zinc/33/87/03/206338703.db2.gz QSSCLXHASFDGIT-GFCCVEGCSA-N 1 0 327.331 1.119 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)NC3CC[NH+](C4CC4)CC3)no2)c1 ZINC000161291922 206339533 /nfs/dbraw/zinc/33/95/33/206339533.db2.gz JCYSNGSTGGVQCR-UHFFFAOYSA-N 1 0 329.404 1.584 20 70 EDIDRO O=C(CCCNC(=O)c1cccnc1)NCCC[NH+]1CCCCCC1 ZINC000161412993 206346072 /nfs/dbraw/zinc/34/60/72/206346072.db2.gz PPSZEDJCASYSAK-UHFFFAOYSA-N 1 0 346.475 1.974 20 70 EDIDRO Cc1noc(-c2ccccc2C(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000160369282 272929584 /nfs/dbraw/zinc/92/95/84/272929584.db2.gz PRTLVDKUNSVRLH-AWEZNQCLSA-N 1 0 344.415 1.622 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cn2cccn2)cc1 ZINC000160574587 272930043 /nfs/dbraw/zinc/93/00/43/272930043.db2.gz GYMVLKPZCUEIRI-GOSISDBHSA-N 1 0 342.443 1.508 20 70 EDIDRO C[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160479573 279329930 /nfs/dbraw/zinc/32/99/30/279329930.db2.gz MZHWYKSKFRLQNM-DNVCBOLYSA-N 1 0 331.460 1.990 20 70 EDIDRO C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000160137014 288232707 /nfs/dbraw/zinc/23/27/07/288232707.db2.gz WTLIURLLWROKPE-OAGGEKHMSA-N 1 0 345.509 1.291 20 70 EDIDRO O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159474070 441815002 /nfs/dbraw/zinc/81/50/02/441815002.db2.gz UHWNLRLNRHPNIR-TUKIKUTGSA-N 1 0 349.381 1.671 20 70 EDIDRO Cc1sc2ncn(CC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c(=O)c2c1C ZINC000160085330 441858801 /nfs/dbraw/zinc/85/88/01/441858801.db2.gz DYGYRORVHQDFTN-BETUJISGSA-N 1 0 346.456 1.428 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnc(-c2ccccn2)s1 ZINC000160165384 441863124 /nfs/dbraw/zinc/86/31/24/441863124.db2.gz CRBLCSCMCQNEPA-ZDUSSCGKSA-N 1 0 346.456 1.782 20 70 EDIDRO CCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160258265 441867459 /nfs/dbraw/zinc/86/74/59/441867459.db2.gz AYSFTDNULHCVRP-HNNXBMFYSA-N 1 0 336.432 1.671 20 70 EDIDRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160281487 441869264 /nfs/dbraw/zinc/86/92/64/441869264.db2.gz RVICWIUQHMTBMP-SJORKVTESA-N 1 0 338.496 1.223 20 70 EDIDRO CC(C)c1noc2ncc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc21 ZINC000160333203 441872285 /nfs/dbraw/zinc/87/22/85/441872285.db2.gz PZSFVMCIBYITPQ-CQSZACIVSA-N 1 0 346.431 1.923 20 70 EDIDRO CC(C)[C@@H](CNC(=O)NC[C@@]1(C)CCCS1)[NH+]1CCN(C)CC1 ZINC000159906891 441846340 /nfs/dbraw/zinc/84/63/40/441846340.db2.gz DWSBPNRUARHQDE-NVXWUHKLSA-N 1 0 342.553 1.843 20 70 EDIDRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159983544 441852949 /nfs/dbraw/zinc/85/29/49/441852949.db2.gz GUPBFUXWYUDYCS-VIFPVBQESA-N 1 0 342.237 1.421 20 70 EDIDRO CC(C)N(C[C@@H](C)O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000160043944 441855919 /nfs/dbraw/zinc/85/59/19/441855919.db2.gz LQEWJYBGYSOQBG-OAHLLOKOSA-N 1 0 337.464 1.928 20 70 EDIDRO COc1ccc(CC(=O)NCC2CC[NH+](CCO)CC2)cc1OC ZINC000160610942 441902598 /nfs/dbraw/zinc/90/25/98/441902598.db2.gz FWPLLAFFCNESOO-UHFFFAOYSA-N 1 0 336.432 1.067 20 70 EDIDRO CCOC(=O)CC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160658762 441905543 /nfs/dbraw/zinc/90/55/43/441905543.db2.gz UHLDUDKZEAALTL-MRXNPFEDSA-N 1 0 337.464 1.846 20 70 EDIDRO COc1ccc(Cl)cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160653391 441905889 /nfs/dbraw/zinc/90/58/89/441905889.db2.gz ZUFBMBOVRWPGIC-UHFFFAOYSA-N 1 0 326.824 1.783 20 70 EDIDRO CCCCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160646259 441906137 /nfs/dbraw/zinc/90/61/37/441906137.db2.gz ZSHGAHHZJKOVGO-HZSPNIEDSA-N 1 0 325.478 1.431 20 70 EDIDRO O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160500880 441889464 /nfs/dbraw/zinc/88/94/64/441889464.db2.gz WGMATFOTHZFSFH-OKILXGFUSA-N 1 0 342.374 1.338 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cn2cccn2)cc1 ZINC000160574475 441897747 /nfs/dbraw/zinc/89/77/47/441897747.db2.gz GYMVLKPZCUEIRI-SFHVURJKSA-N 1 0 342.443 1.508 20 70 EDIDRO COC[C@H](O)CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000161189525 441969584 /nfs/dbraw/zinc/96/95/84/441969584.db2.gz PQXXJQQKWGFWLY-MRXNPFEDSA-N 1 0 338.473 1.363 20 70 EDIDRO CNC(=O)C1(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000160844894 441927769 /nfs/dbraw/zinc/92/77/69/441927769.db2.gz FERKIKFDGCBGRN-UHFFFAOYSA-N 1 0 345.443 1.650 20 70 EDIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(C2OCCO2)CC1 ZINC000160882096 441930937 /nfs/dbraw/zinc/93/09/37/441930937.db2.gz KGZCWTJIOLWXSJ-HNNXBMFYSA-N 1 0 337.464 1.798 20 70 EDIDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161070304 441951942 /nfs/dbraw/zinc/95/19/42/441951942.db2.gz VZXKKSJMLOMGPY-HNNXBMFYSA-N 1 0 327.428 1.853 20 70 EDIDRO CCCc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000161394420 441994902 /nfs/dbraw/zinc/99/49/02/441994902.db2.gz OORCUBZEDTYXEF-UHFFFAOYSA-N 1 0 340.489 1.622 20 70 EDIDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC([N@H+](C)CCO)CC2)cc1 ZINC000161433984 441999783 /nfs/dbraw/zinc/99/97/83/441999783.db2.gz FSDDABBHVABMEJ-UHFFFAOYSA-N 1 0 348.491 1.346 20 70 EDIDRO CC[C@H](C)c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000161452031 442000877 /nfs/dbraw/zinc/00/08/77/442000877.db2.gz HIISYONVXJPGQI-XJKSGUPXSA-N 1 0 328.478 1.791 20 70 EDIDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000161333317 441987182 /nfs/dbraw/zinc/98/71/82/441987182.db2.gz IPKJDTXESIVMDF-HOTGVXAUSA-N 1 0 348.495 1.030 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000218120833 443057858 /nfs/dbraw/zinc/05/78/58/443057858.db2.gz STHNTDKNWASBCV-LBPRGKRZSA-N 1 0 345.237 1.257 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000161238254 486643616 /nfs/dbraw/zinc/64/36/16/486643616.db2.gz OXVLEKJFCDBVHX-ZWKOTPCHSA-N 1 0 330.476 1.190 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1CC ZINC000160286096 529695998 /nfs/dbraw/zinc/69/59/98/529695998.db2.gz FIICBDRBXZNQOK-INIZCTEOSA-N 1 0 349.479 1.376 20 70 EDIDRO COC1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160320933 540022217 /nfs/dbraw/zinc/02/22/17/540022217.db2.gz ADWJSWWDDDKLDD-GDBMZVCRSA-N 1 0 325.453 1.354 20 70 EDIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H](O)c1ccsc1 ZINC000159669160 225258675 /nfs/dbraw/zinc/25/86/75/225258675.db2.gz RQRZGOBEIPLJDV-OAHLLOKOSA-N 1 0 338.473 1.933 20 70 EDIDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000160277588 225377151 /nfs/dbraw/zinc/37/71/51/225377151.db2.gz FQAAOOZSVHHEBS-GFCCVEGCSA-N 1 0 334.395 1.379 20 70 EDIDRO CCc1ccccc1N1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000159807818 267497540 /nfs/dbraw/zinc/49/75/40/267497540.db2.gz CFNAWQABSYMQJC-ZACQAIPSSA-N 1 0 341.455 1.955 20 70 EDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)CC2 ZINC000160306556 274853957 /nfs/dbraw/zinc/85/39/57/274853957.db2.gz ZKUQUZPGWSQMOJ-PWSUYJOCSA-N 1 0 348.838 1.957 20 70 EDIDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000159397301 441810084 /nfs/dbraw/zinc/81/00/84/441810084.db2.gz DXHYXTRJRDBPFY-AWEZNQCLSA-N 1 0 340.445 1.709 20 70 EDIDRO C[NH+](C)[C@H](CNC(=O)CN1CCOC[C@@H]1C1CC1)c1ccccc1 ZINC000160164437 441863206 /nfs/dbraw/zinc/86/32/06/441863206.db2.gz RXRKSGNSSCVSQF-QZTJIDSGSA-N 1 0 331.460 1.516 20 70 EDIDRO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000160233721 441866033 /nfs/dbraw/zinc/86/60/33/441866033.db2.gz ULPOUQAXAFDQPD-QLFBSQMISA-N 1 0 341.521 1.623 20 70 EDIDRO O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159752257 441834798 /nfs/dbraw/zinc/83/47/98/441834798.db2.gz MPWABIVYNXQBDT-OAHLLOKOSA-N 1 0 333.476 1.768 20 70 EDIDRO Cc1csc(N2CCC([NH2+][C@@H]3CCc4nc(C)nn4C3)CC2)n1 ZINC000160358465 441874003 /nfs/dbraw/zinc/87/40/03/441874003.db2.gz CHZBDKDOMGHKAR-CQSZACIVSA-N 1 0 332.477 1.925 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000160842710 441927296 /nfs/dbraw/zinc/92/72/96/441927296.db2.gz XPYFDASWPQVZPV-JLSDUUJJSA-N 1 0 329.444 1.961 20 70 EDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nc(Cl)c3)C2)CC1 ZINC000160635768 441904140 /nfs/dbraw/zinc/90/41/40/441904140.db2.gz BTSLJQUVORQIAR-OAHLLOKOSA-N 1 0 336.867 1.895 20 70 EDIDRO C[C@H](c1cnn(C)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160657245 441905100 /nfs/dbraw/zinc/90/51/00/441905100.db2.gz UPDGKUBYDUUNDZ-QAPCUYQASA-N 1 0 343.475 1.832 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1N1CCCCC1 ZINC000160667595 441907264 /nfs/dbraw/zinc/90/72/64/441907264.db2.gz BTBAYKHFDPYHKA-MRXNPFEDSA-N 1 0 346.475 1.649 20 70 EDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(Cc2ccncc2)CC1 ZINC000160765537 441919526 /nfs/dbraw/zinc/91/95/26/441919526.db2.gz LDOGEVKVUZYTNQ-SFHVURJKSA-N 1 0 343.475 1.393 20 70 EDIDRO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160778340 441920734 /nfs/dbraw/zinc/92/07/34/441920734.db2.gz MAQUUFFXBMOESX-WBMJQRKESA-N 1 0 334.416 1.181 20 70 EDIDRO CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160899882 441933916 /nfs/dbraw/zinc/93/39/16/441933916.db2.gz VHPKQJPYSVERNT-GJZGRUSLSA-N 1 0 336.480 1.704 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000161366093 441991268 /nfs/dbraw/zinc/99/12/68/441991268.db2.gz PBPWJAPCOVRUEO-UHFFFAOYSA-N 1 0 325.434 1.454 20 70 EDIDRO C[C@H](CNC(=O)c1cccc2c1oc(=O)n2C)[NH+]1CCC(C)CC1 ZINC000161381500 441992224 /nfs/dbraw/zinc/99/22/24/441992224.db2.gz CRLLTYSLLGDQMX-CYBMUJFWSA-N 1 0 331.416 1.982 20 70 EDIDRO CCC[C@H]1CN(C(=O)NCCc2nccs2)CC[N@@H+]1CCOC ZINC000161353517 441989827 /nfs/dbraw/zinc/98/98/27/441989827.db2.gz ZLPWWJPRLIKOJF-AWEZNQCLSA-N 1 0 340.493 1.828 20 70 EDIDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000160812139 486638570 /nfs/dbraw/zinc/63/85/70/486638570.db2.gz GIGOKTWPNGCNFZ-ONGXEEELSA-N 1 0 338.351 1.442 20 70 EDIDRO Cc1cccc2c1ncn(CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c2=O ZINC000160908695 486640192 /nfs/dbraw/zinc/64/01/92/486640192.db2.gz HPLKBXVUJJMLSN-ZIAGYGMSSA-N 1 0 328.416 1.481 20 70 EDIDRO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000160997675 486641487 /nfs/dbraw/zinc/64/14/87/486641487.db2.gz TXFWCPNCVVEWST-HZPDHXFCSA-N 1 0 348.466 1.967 20 70 EDIDRO Cn1ccnc1[C@@](O)(CCNC(=O)[C@@]1(C)CCC[NH2+]C1)C(F)(F)F ZINC000161345070 501023304 /nfs/dbraw/zinc/02/33/04/501023304.db2.gz OTGHZPTYQRITFT-KBPBESRZSA-N 1 0 348.369 1.066 20 70 EDIDRO O=C(C[N@H+]1CCCC[C@@H]1CO)NCCc1cnn(-c2ccccc2)c1 ZINC000159874948 534528578 /nfs/dbraw/zinc/52/85/78/534528578.db2.gz VCIMXBZKMLLSFO-GOSISDBHSA-N 1 0 342.443 1.378 20 70 EDIDRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH2+]C)cc1OCC ZINC000161056939 528576101 /nfs/dbraw/zinc/57/61/01/528576101.db2.gz CDVKXUWKSWSIHT-CYBMUJFWSA-N 1 0 342.461 1.857 20 70 EDIDRO CC[NH+]1CCN(CCCNC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000159435471 529144381 /nfs/dbraw/zinc/14/43/81/529144381.db2.gz CZKWKPWLCXNCRV-MRXNPFEDSA-N 1 0 339.867 1.517 20 70 EDIDRO C[N@H+](CCNC(=O)N1CCN(Cc2ccccn2)CC1)C1CCCC1 ZINC000160075696 529913593 /nfs/dbraw/zinc/91/35/93/529913593.db2.gz UDMINGMAWOQPGG-UHFFFAOYSA-N 1 0 345.491 1.783 20 70 EDIDRO CNS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCC(C)CC2)co1 ZINC000160215104 530025405 /nfs/dbraw/zinc/02/54/05/530025405.db2.gz ISDHKEWSQLYTNC-UHFFFAOYSA-N 1 0 343.449 1.040 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159533561 530036000 /nfs/dbraw/zinc/03/60/00/530036000.db2.gz FMCLKTDOOFXQCF-CYBMUJFWSA-N 1 0 339.461 1.258 20 70 EDIDRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)C[C@H](O)C1CC1 ZINC000160814599 540026983 /nfs/dbraw/zinc/02/69/83/540026983.db2.gz QAZCKUAWKKICPP-UGSOOPFHSA-N 1 0 329.444 1.918 20 70 EDIDRO Cc1ccc([C@@H]2COCCN2C(=O)Nc2cnn(CC[NH+](C)C)c2)o1 ZINC000161491066 540035066 /nfs/dbraw/zinc/03/50/66/540035066.db2.gz PXGNTQKJWKZJSN-HNNXBMFYSA-N 1 0 347.419 1.952 20 70 EDIDRO O=C(NCCCOC1CCOCC1)c1cccn1C1CC[NH2+]CC1 ZINC000160942201 138641907 /nfs/dbraw/zinc/64/19/07/138641907.db2.gz JAZINMXWRYCFJE-UHFFFAOYSA-N 1 0 335.448 1.728 20 70 EDIDRO CCCC(=O)N1CSC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159880488 138638547 /nfs/dbraw/zinc/63/85/47/138638547.db2.gz MQMOICIWPDWIFX-HNNXBMFYSA-N 1 0 339.505 1.679 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000160191541 283967281 /nfs/dbraw/zinc/96/72/81/283967281.db2.gz SAIFDFCYLDBEAW-MRXNPFEDSA-N 1 0 346.406 1.588 20 70 EDIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1ccc(-n2ccnn2)cc1 ZINC000159839636 533494577 /nfs/dbraw/zinc/49/45/77/533494577.db2.gz ZFAVYIORMJEBBI-NEPJUHHUSA-N 1 0 342.403 1.295 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000159940280 225306135 /nfs/dbraw/zinc/30/61/35/225306135.db2.gz WGOKGHCVLRFTNM-ZDUSSCGKSA-N 1 0 345.399 1.212 20 70 EDIDRO CSC[C@@](C)(O)CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000159587155 225244533 /nfs/dbraw/zinc/24/45/33/225244533.db2.gz HOUGQMRQWVVXML-YOEHRIQHSA-N 1 0 339.505 1.920 20 70 EDIDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)cccc1N1CCNC1=O ZINC000159479137 267494530 /nfs/dbraw/zinc/49/45/30/267494530.db2.gz FNJLEMBKUJWIRH-UHFFFAOYSA-N 1 0 330.432 1.916 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000160585258 272930117 /nfs/dbraw/zinc/93/01/17/272930117.db2.gz HDOOVWKVGUHQFI-LLVKDONJSA-N 1 0 332.372 1.046 20 70 EDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC(=O)NC ZINC000160039900 279171795 /nfs/dbraw/zinc/17/17/95/279171795.db2.gz UGDZPSOVTOOFIW-CQSZACIVSA-N 1 0 347.463 1.464 20 70 EDIDRO COC[C@H](O)CCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000161403065 302926417 /nfs/dbraw/zinc/92/64/17/302926417.db2.gz MYVPVNBWMKSIJL-GOSISDBHSA-N 1 0 349.475 1.102 20 70 EDIDRO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159363265 441806172 /nfs/dbraw/zinc/80/61/72/441806172.db2.gz WXXFOOBOQLRNAG-QWRGUYRKSA-N 1 0 341.358 1.365 20 70 EDIDRO O=C(NCC1(CO)CCOCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000159442216 441813444 /nfs/dbraw/zinc/81/34/44/441813444.db2.gz YEFJBKUFUUNZNF-UHFFFAOYSA-N 1 0 339.480 1.482 20 70 EDIDRO COCc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)no1 ZINC000160377785 441874938 /nfs/dbraw/zinc/87/49/38/441874938.db2.gz FRNSCJCIJFJVFL-HOTGVXAUSA-N 1 0 337.420 1.319 20 70 EDIDRO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000159643865 441825536 /nfs/dbraw/zinc/82/55/36/441825536.db2.gz QLJDBKVDKAHBPT-GJZGRUSLSA-N 1 0 333.436 1.622 20 70 EDIDRO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159660863 441827105 /nfs/dbraw/zinc/82/71/05/441827105.db2.gz QTBZQAZLECRGPL-WFASDCNBSA-N 1 0 337.445 1.537 20 70 EDIDRO C[C@@]1(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000159683090 441830295 /nfs/dbraw/zinc/83/02/95/441830295.db2.gz QYEMYWMCFKPODY-LJQANCHMSA-N 1 0 329.444 1.655 20 70 EDIDRO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159763838 441836834 /nfs/dbraw/zinc/83/68/34/441836834.db2.gz IJNQOGFFZDUQCY-GFCCVEGCSA-N 1 0 342.465 1.257 20 70 EDIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160608577 441901646 /nfs/dbraw/zinc/90/16/46/441901646.db2.gz MVYYRHWFUPAMFU-LBPRGKRZSA-N 1 0 342.871 1.774 20 70 EDIDRO Cc1cnn(-c2ccc(C(=O)NCC3CC[NH+](CCO)CC3)cc2)c1 ZINC000160612624 441901823 /nfs/dbraw/zinc/90/18/23/441901823.db2.gz AVXUVQPAKBWSPH-UHFFFAOYSA-N 1 0 342.443 1.615 20 70 EDIDRO C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000160679528 441907835 /nfs/dbraw/zinc/90/78/35/441907835.db2.gz DXOCCUHVQXZPNW-OTWHNJEPSA-N 1 0 347.503 1.888 20 70 EDIDRO CC(C)(C)c1nc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000160591406 441899251 /nfs/dbraw/zinc/89/92/51/441899251.db2.gz QSCMJINTPYHVPG-AWEZNQCLSA-N 1 0 339.505 1.946 20 70 EDIDRO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000161254300 441977052 /nfs/dbraw/zinc/97/70/52/441977052.db2.gz FQECDTUXHYEZIT-WBVHZDCISA-N 1 0 347.459 1.416 20 70 EDIDRO C[C@@H]1[C@H](C)OCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000161034321 441948382 /nfs/dbraw/zinc/94/83/82/441948382.db2.gz HMTGRLLSTFYGRQ-CABCVRRESA-N 1 0 332.448 1.865 20 70 EDIDRO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000161090398 441954976 /nfs/dbraw/zinc/95/49/76/441954976.db2.gz BMYXOZDVKBABMN-YWTNHNAXSA-N 1 0 336.476 1.783 20 70 EDIDRO Cc1ccc(CCC(=O)NCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161396311 441994805 /nfs/dbraw/zinc/99/48/05/441994805.db2.gz IYHPBFLDJZVVLK-JWTNVVGKSA-N 1 0 343.471 1.785 20 70 EDIDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161304429 441983013 /nfs/dbraw/zinc/98/30/13/441983013.db2.gz ZPRIEKSVEAZJRK-QGZVFWFLSA-N 1 0 346.406 1.439 20 70 EDIDRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CSCN1 ZINC000161456870 442001772 /nfs/dbraw/zinc/00/17/72/442001772.db2.gz QMZVEIXMMJOEPO-NWDGAFQWSA-N 1 0 325.821 1.224 20 70 EDIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000161329526 441986057 /nfs/dbraw/zinc/98/60/57/441986057.db2.gz NMODVVSUPCXOJA-UONOGXRCSA-N 1 0 335.473 1.392 20 70 EDIDRO Cc1nc(C)c(CCC(=O)N[C@H]2CCN(c3ccccn3)C2)c(=O)[nH]1 ZINC000161340252 441987603 /nfs/dbraw/zinc/98/76/03/441987603.db2.gz CLWIKRFOISLVRU-AWEZNQCLSA-N 1 0 341.415 1.109 20 70 EDIDRO C[C@@]1(C(=O)NCc2ccccc2CN2CCCC2=O)CCC[NH2+]C1 ZINC000161356646 441990297 /nfs/dbraw/zinc/99/02/97/441990297.db2.gz OHBZMLVKFYACPT-LJQANCHMSA-N 1 0 329.444 1.815 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCCc2nc(C)no2)CC[N@@H+]1CCOC ZINC000161495662 442006121 /nfs/dbraw/zinc/00/61/21/442006121.db2.gz MSHUYMVRBFMEER-CQSZACIVSA-N 1 0 339.440 1.063 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC000160813756 486638793 /nfs/dbraw/zinc/63/87/93/486638793.db2.gz GTWOBQBYYOYNTG-CHWSQXEVSA-N 1 0 335.473 1.743 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C1 ZINC000161018260 486642166 /nfs/dbraw/zinc/64/21/66/486642166.db2.gz ARHFMJWIXDDTJD-VXGBXAGGSA-N 1 0 336.823 1.869 20 70 EDIDRO CCOC(=O)CN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159697033 528766817 /nfs/dbraw/zinc/76/68/17/528766817.db2.gz LVVCJQJVSWGNOX-RDJZCZTQSA-N 1 0 348.443 1.676 20 70 EDIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000159791909 528954426 /nfs/dbraw/zinc/95/44/26/528954426.db2.gz VHNPPTOJWBRRQP-CQSZACIVSA-N 1 0 339.461 1.391 20 70 EDIDRO CCc1nn(C)c(Cl)c1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000160363325 529767092 /nfs/dbraw/zinc/76/70/92/529767092.db2.gz SPPNHMUOFVAEBL-UHFFFAOYSA-N 1 0 341.887 1.393 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000161157884 530003098 /nfs/dbraw/zinc/00/30/98/530003098.db2.gz MKNWATIIQDIWID-NVXWUHKLSA-N 1 0 347.434 1.888 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](CCO)CSC)c1 ZINC000160289950 530036301 /nfs/dbraw/zinc/03/63/01/530036301.db2.gz UANPVVOFDKRVGI-YPMHNXCESA-N 1 0 332.491 1.359 20 70 EDIDRO COc1cccc(COCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000160588825 540024070 /nfs/dbraw/zinc/02/40/70/540024070.db2.gz LYOHJFUCEKSVNZ-MRXNPFEDSA-N 1 0 335.448 1.947 20 70 EDIDRO CSc1ccccc1NC(=O)CC[N@H+](C)CC(C)(CO)CO ZINC000159595358 533046476 /nfs/dbraw/zinc/04/64/76/533046476.db2.gz IHDPOUBWEZILKS-UHFFFAOYSA-N 1 0 326.462 1.660 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159399308 533645655 /nfs/dbraw/zinc/64/56/55/533645655.db2.gz LPCUWOSRBBUSGZ-RYUDHWBXSA-N 1 0 341.864 1.642 20 70 EDIDRO O=C(CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCOCC1 ZINC000159555733 225237534 /nfs/dbraw/zinc/23/75/34/225237534.db2.gz USFPRLNDMMCGLR-LJQANCHMSA-N 1 0 330.428 1.409 20 70 EDIDRO Cc1cc(F)ccc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000159390700 225208570 /nfs/dbraw/zinc/20/85/70/225208570.db2.gz WZYMLQSFCMTGOY-INIZCTEOSA-N 1 0 333.407 1.513 20 70 EDIDRO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)nn1 ZINC000159840614 225288108 /nfs/dbraw/zinc/28/81/08/225288108.db2.gz LOTBDWJQXGMMKR-UHFFFAOYSA-N 1 0 334.420 1.250 20 70 EDIDRO COc1cccc(CCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000160308271 225385249 /nfs/dbraw/zinc/38/52/49/225385249.db2.gz ANZKNWDUKILXDY-OAHLLOKOSA-N 1 0 341.477 1.133 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000160374459 225399874 /nfs/dbraw/zinc/39/98/74/225399874.db2.gz BSRQIQHNHVPDRK-HNNXBMFYSA-N 1 0 331.416 1.148 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075553 225331738 /nfs/dbraw/zinc/33/17/38/225331738.db2.gz UZJNOLAQJDHPIZ-DZGCQCFKSA-N 1 0 349.406 1.215 20 70 EDIDRO COc1ccc(C(=O)NCCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159504338 441818023 /nfs/dbraw/zinc/81/80/23/441818023.db2.gz VRVWVGVVNHTYSJ-IYBDPMFKSA-N 1 0 345.443 1.558 20 70 EDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCNC(=O)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000160087883 441858763 /nfs/dbraw/zinc/85/87/63/441858763.db2.gz MQCOCWYLRADTLR-IJEWVQPXSA-N 1 0 330.432 1.179 20 70 EDIDRO C[NH+](C)CCN(C(=O)NCCNC(=O)c1cccnc1)C1CCCC1 ZINC000160243268 441868382 /nfs/dbraw/zinc/86/83/82/441868382.db2.gz MTRYXUAJHSCZTL-UHFFFAOYSA-N 1 0 347.463 1.327 20 70 EDIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)n1nnc(-c2ccccc2)n1 ZINC000159666661 441829271 /nfs/dbraw/zinc/82/92/71/441829271.db2.gz LOOTUDHHNZSQOF-YUELXQCFSA-N 1 0 326.404 1.254 20 70 EDIDRO COCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159698454 441830879 /nfs/dbraw/zinc/83/08/79/441830879.db2.gz VLTVWDHBFLCLRC-UKRRQHHQSA-N 1 0 336.432 1.806 20 70 EDIDRO O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159711339 441831924 /nfs/dbraw/zinc/83/19/24/441831924.db2.gz UFUNLSCFJOVBSU-LZWOXQAQSA-N 1 0 347.484 1.635 20 70 EDIDRO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159720260 441832628 /nfs/dbraw/zinc/83/26/28/441832628.db2.gz CYSUPZMISRKEPS-RDJZCZTQSA-N 1 0 345.443 1.431 20 70 EDIDRO C[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)c1c(F)cccc1F ZINC000160010736 441853941 /nfs/dbraw/zinc/85/39/41/441853941.db2.gz FDHFGLVALPITCV-GFCCVEGCSA-N 1 0 326.387 1.889 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(-n2cccn2)c1 ZINC000160606896 441901258 /nfs/dbraw/zinc/90/12/58/441901258.db2.gz ODHWTDPDIMDADY-UHFFFAOYSA-N 1 0 328.416 1.306 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160635408 441904519 /nfs/dbraw/zinc/90/45/19/441904519.db2.gz GHLBNIKAEWLMFW-XPKDYRNWSA-N 1 0 326.462 1.796 20 70 EDIDRO CNC(=O)[C@H]1CCCN1CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160675364 441907608 /nfs/dbraw/zinc/90/76/08/441907608.db2.gz VLDNRZMNGZDIJF-OAHLLOKOSA-N 1 0 343.383 1.348 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 ZINC000160729366 441914234 /nfs/dbraw/zinc/91/42/34/441914234.db2.gz OWVQCNCZHNBFMJ-SNVBAGLBSA-N 1 0 334.401 1.351 20 70 EDIDRO Cc1noc(-c2ccccc2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000160369432 441875618 /nfs/dbraw/zinc/87/56/18/441875618.db2.gz PRTLVDKUNSVRLH-CQSZACIVSA-N 1 0 344.415 1.622 20 70 EDIDRO O=C(NC1CC1)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000160427851 441881761 /nfs/dbraw/zinc/88/17/61/441881761.db2.gz JRYUSWQIMQMCIJ-UHFFFAOYSA-N 1 0 327.428 1.747 20 70 EDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)CC2 ZINC000160433633 441882182 /nfs/dbraw/zinc/88/21/82/441882182.db2.gz QHEWXKWORUGWOW-ABAIWWIYSA-N 1 0 349.460 1.624 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000160441400 441883808 /nfs/dbraw/zinc/88/38/08/441883808.db2.gz SRBVFXAQWHSFPI-MRXNPFEDSA-N 1 0 337.439 1.833 20 70 EDIDRO COc1cccc(OC)c1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160508170 441891246 /nfs/dbraw/zinc/89/12/46/441891246.db2.gz XDVLKQMFOWUWQH-AWEZNQCLSA-N 1 0 336.432 1.209 20 70 EDIDRO CSCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160597437 441899512 /nfs/dbraw/zinc/89/95/12/441899512.db2.gz MQAJXCUDETXKJO-CHWSQXEVSA-N 1 0 330.498 1.013 20 70 EDIDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[C@H]3O)CC2)c1 ZINC000161204576 441972160 /nfs/dbraw/zinc/97/21/60/441972160.db2.gz BAZJSOWSGPKXRS-QZTJIDSGSA-N 1 0 331.460 1.537 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1c2ccccc2C[C@H]1O ZINC000160842827 441928003 /nfs/dbraw/zinc/92/80/03/441928003.db2.gz XPYFDASWPQVZPV-OLMNPRSZSA-N 1 0 329.444 1.961 20 70 EDIDRO CC(C)n1ncc2cc(C=CC(=O)N3CCC[NH2+]CC3)c(=O)[nH]c21 ZINC000160868091 441930138 /nfs/dbraw/zinc/93/01/38/441930138.db2.gz NWIZXYHDRWSMNW-SNAWJCMRSA-N 1 0 329.404 1.141 20 70 EDIDRO CC[NH+](CC)CCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000160871171 441930263 /nfs/dbraw/zinc/93/02/63/441930263.db2.gz ONRBDLQBWZRTCB-UHFFFAOYSA-N 1 0 334.468 1.430 20 70 EDIDRO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160919334 441935785 /nfs/dbraw/zinc/93/57/85/441935785.db2.gz KVPRJAOKTJHRQZ-GDBMZVCRSA-N 1 0 345.443 1.933 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1C ZINC000160957959 441940691 /nfs/dbraw/zinc/94/06/91/441940691.db2.gz POEIFMQCYFKYIS-KPZWWZAWSA-N 1 0 334.464 1.637 20 70 EDIDRO Cc1c(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cnn1C ZINC000161046816 441949754 /nfs/dbraw/zinc/94/97/54/441949754.db2.gz KXVWYDWQBJTMDL-UHFFFAOYSA-N 1 0 348.495 1.086 20 70 EDIDRO CC(C)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(N)=O ZINC000161125782 441960971 /nfs/dbraw/zinc/96/09/71/441960971.db2.gz ZUAVCUAUETUNNO-MRXNPFEDSA-N 1 0 332.448 1.460 20 70 EDIDRO C[NH+](C)[C@H](CNC(=O)c1cccc(C(=O)N2CCCC2)n1)C1CC1 ZINC000161155517 441965108 /nfs/dbraw/zinc/96/51/08/441965108.db2.gz SSFVNLUOEHCPGA-MRXNPFEDSA-N 1 0 330.432 1.388 20 70 EDIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)O1 ZINC000161412206 441996197 /nfs/dbraw/zinc/99/61/97/441996197.db2.gz PQJMCAIKBSKGFS-GVDBMIGSSA-N 1 0 345.443 1.190 20 70 EDIDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)o1 ZINC000161402167 441996853 /nfs/dbraw/zinc/99/68/53/441996853.db2.gz DXHJLBBOMVADQL-LBPRGKRZSA-N 1 0 330.388 1.984 20 70 EDIDRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000161425766 441999851 /nfs/dbraw/zinc/99/98/51/441999851.db2.gz RWVCPCFDLFRPGN-CQSZACIVSA-N 1 0 335.448 1.200 20 70 EDIDRO Cc1ccoc1C(=O)NCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000161446286 442001040 /nfs/dbraw/zinc/00/10/40/442001040.db2.gz QPKVLUFTPHYASQ-HNNXBMFYSA-N 1 0 329.400 1.394 20 70 EDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccccc2F)CC1 ZINC000161466302 442002813 /nfs/dbraw/zinc/00/28/13/442002813.db2.gz BBONTVKHWCISGG-ZDUSSCGKSA-N 1 0 344.452 1.539 20 70 EDIDRO CCCC[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)C(=O)Nc1cc(C)on1 ZINC000160777681 318423180 /nfs/dbraw/zinc/42/31/80/318423180.db2.gz LEKHNMQUVJUYTK-RWMBFGLXSA-N 1 0 338.408 1.103 20 70 EDIDRO Cc1cccc2c1ncn(CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c2=O ZINC000160908422 486640263 /nfs/dbraw/zinc/64/02/63/486640263.db2.gz HPLKBXVUJJMLSN-UONOGXRCSA-N 1 0 328.416 1.481 20 70 EDIDRO Cc1ccc(CN2C[C@H](C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2=O)cc1 ZINC000161156996 486642919 /nfs/dbraw/zinc/64/29/19/486642919.db2.gz FWZBAPFESPNBMD-IXDOHACOSA-N 1 0 329.444 1.730 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2cccc(NC(=O)C3CC3)c2)C1 ZINC000161504948 486644584 /nfs/dbraw/zinc/64/45/84/486644584.db2.gz ZMAINZCHRAQONM-KGLIPLIRSA-N 1 0 331.416 1.800 20 70 EDIDRO Cc1ccc(-n2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)nn2)cc1 ZINC000160096630 534238492 /nfs/dbraw/zinc/23/84/92/534238492.db2.gz XGMZWDGBXQPDJQ-INIZCTEOSA-N 1 0 343.431 1.152 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000159438622 528024397 /nfs/dbraw/zinc/02/43/97/528024397.db2.gz YBYGWHUPWGVLEY-GFCCVEGCSA-N 1 0 338.839 1.768 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000161104195 528280344 /nfs/dbraw/zinc/28/03/44/528280344.db2.gz LFGCGVKKCSUHGT-UHFFFAOYSA-N 1 0 327.428 1.919 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OCCOC)cc2)CC1 ZINC000159643003 529026633 /nfs/dbraw/zinc/02/66/33/529026633.db2.gz HQRCFVSMPXMIFC-UHFFFAOYSA-N 1 0 335.448 1.949 20 70 EDIDRO CC(C)N1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000160024109 529065995 /nfs/dbraw/zinc/06/59/95/529065995.db2.gz PIASNQXUYAEZAY-HZPDHXFCSA-N 1 0 336.480 1.656 20 70 EDIDRO CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]C)CC1=O ZINC000161271734 529586567 /nfs/dbraw/zinc/58/65/67/529586567.db2.gz FFIJDRQAWBJFIC-HOTGVXAUSA-N 1 0 329.444 1.812 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000159917729 539483305 /nfs/dbraw/zinc/48/33/05/539483305.db2.gz AVFMGCZYOPAGAW-DOTOQJQBSA-N 1 0 344.459 1.918 20 70 EDIDRO CNC(=O)Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000159377984 540009138 /nfs/dbraw/zinc/00/91/38/540009138.db2.gz VNLKKIOKGLQZQV-NVXWUHKLSA-N 1 0 344.459 1.923 20 70 EDIDRO C[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)[C@@H]1CN(C)CCO1 ZINC000161293994 540032837 /nfs/dbraw/zinc/03/28/37/540032837.db2.gz IJSJKXFOTZNWCJ-WFASDCNBSA-N 1 0 330.392 1.108 20 70 EDIDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCNC(=O)C1 ZINC000159737098 138638167 /nfs/dbraw/zinc/63/81/67/138638167.db2.gz MRVCDFJODSQCGI-KRWDZBQOSA-N 1 0 329.444 1.815 20 70 EDIDRO C[C@@H]1[C@H](C)N(C(=O)c2cccn2C2CC[NH2+]CC2)CCS1(=O)=O ZINC000159748989 138638225 /nfs/dbraw/zinc/63/82/25/138638225.db2.gz BKIVYGMRVHBUCY-QWHCGFSZSA-N 1 0 339.461 1.060 20 70 EDIDRO COC(=O)c1sccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000160157644 292044076 /nfs/dbraw/zinc/04/40/76/292044076.db2.gz RCPHUALRTGXCAW-NSHDSACASA-N 1 0 346.474 1.721 20 70 EDIDRO COc1cccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+](C)C)c1 ZINC000159863287 225293040 /nfs/dbraw/zinc/29/30/40/225293040.db2.gz HNGIRJSXQQLTDQ-WMZOPIPTSA-N 1 0 335.448 1.854 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(=O)[C@@H]1C ZINC000159983654 225315480 /nfs/dbraw/zinc/31/54/80/225315480.db2.gz ITZFPBDTWIZMQC-DZKIICNBSA-N 1 0 330.432 1.037 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@]1(O)CCSC1 ZINC000160010708 225320291 /nfs/dbraw/zinc/32/02/91/225320291.db2.gz WBMJLJGROCEATH-QILLFSRXSA-N 1 0 349.500 1.674 20 70 EDIDRO Cc1nccn1CCC[N@@H+](C)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000160258858 225373380 /nfs/dbraw/zinc/37/33/80/225373380.db2.gz PQHVFVSIWWTWSQ-KRWDZBQOSA-N 1 0 340.427 1.841 20 70 EDIDRO C[NH+](C)CCCC1CCN(C(=O)NCC(=O)N2CCCCC2)CC1 ZINC000160328113 225388284 /nfs/dbraw/zinc/38/82/84/225388284.db2.gz SBWGDLNQGFHMEF-UHFFFAOYSA-N 1 0 338.496 1.762 20 70 EDIDRO Cc1ccc(C(=O)CC[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000160171906 225353409 /nfs/dbraw/zinc/35/34/09/225353409.db2.gz CFMZIYYUHSTKHO-UHFFFAOYSA-N 1 0 338.473 1.924 20 70 EDIDRO CO[C@@H](CNC(=O)C1(OC)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161412427 225622660 /nfs/dbraw/zinc/62/26/60/225622660.db2.gz PEZIEXVIDQJIQD-AWEZNQCLSA-N 1 0 326.824 1.912 20 70 EDIDRO CC(C)[NH+](CCCNC(=O)NCC1(CO)CCOCC1)C(C)C ZINC000159365300 267493596 /nfs/dbraw/zinc/49/35/96/267493596.db2.gz WNHDMBLNPKNLGG-UHFFFAOYSA-N 1 0 329.485 1.584 20 70 EDIDRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(C(N)=O)CCCC1 ZINC000159549702 289352474 /nfs/dbraw/zinc/35/24/74/289352474.db2.gz KPVVWUHLKGJNOZ-MRXNPFEDSA-N 1 0 346.475 1.135 20 70 EDIDRO COc1cc(C)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000160077298 441857853 /nfs/dbraw/zinc/85/78/53/441857853.db2.gz PEFUIOJYEJRJNF-AWEZNQCLSA-N 1 0 336.432 1.589 20 70 EDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000160089323 441858864 /nfs/dbraw/zinc/85/88/64/441858864.db2.gz GIECASXOTFZINB-LLVKDONJSA-N 1 0 345.490 1.145 20 70 EDIDRO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000160209982 441864607 /nfs/dbraw/zinc/86/46/07/441864607.db2.gz VRQKQHKNSPCBHI-CQSZACIVSA-N 1 0 331.482 1.127 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000160211138 441864831 /nfs/dbraw/zinc/86/48/31/441864831.db2.gz CMPAMNSVKOMTLF-OAHLLOKOSA-N 1 0 346.406 1.588 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1 ZINC000159581153 441822143 /nfs/dbraw/zinc/82/21/43/441822143.db2.gz JIDWNCOLEBVUMB-INIZCTEOSA-N 1 0 326.485 1.080 20 70 EDIDRO CCC[NH+]1CCC(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000159749893 441835007 /nfs/dbraw/zinc/83/50/07/441835007.db2.gz QGQWWKITMYZWFR-UHFFFAOYSA-N 1 0 343.449 1.134 20 70 EDIDRO COC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(-c2ccncc2)c1 ZINC000159818410 441840087 /nfs/dbraw/zinc/84/00/87/441840087.db2.gz YIGNARYKQWNMMK-QGZVFWFLSA-N 1 0 339.395 1.612 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(NCCOC)cc2)CC1 ZINC000159838174 441841025 /nfs/dbraw/zinc/84/10/25/441841025.db2.gz LUQHAMNWBYABLO-UHFFFAOYSA-N 1 0 334.464 1.982 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000159863462 441843404 /nfs/dbraw/zinc/84/34/04/441843404.db2.gz OIEQXAAPDZPUGS-KRWDZBQOSA-N 1 0 344.459 1.919 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ncoc1-c1ccccc1 ZINC000159907337 441846462 /nfs/dbraw/zinc/84/64/62/441846462.db2.gz AHMGJRICOMWBBF-OAHLLOKOSA-N 1 0 329.400 1.918 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)C1 ZINC000160636861 441904304 /nfs/dbraw/zinc/90/43/04/441904304.db2.gz RCJQMLGOVZJIHT-JSGCOSHPSA-N 1 0 335.835 1.822 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000160663283 441906602 /nfs/dbraw/zinc/90/66/02/441906602.db2.gz NIIAFCAWDXLAMP-UHFFFAOYSA-N 1 0 336.436 1.865 20 70 EDIDRO Cn1cnc2cc(C(=O)NCC[N@H+](C)Cc3ccc(F)cc3)cnc21 ZINC000160716120 441913723 /nfs/dbraw/zinc/91/37/23/441913723.db2.gz HLXIIWKCRZMENF-UHFFFAOYSA-N 1 0 341.390 1.969 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1csc([C@H]2CCCO2)n1 ZINC000160427583 441881389 /nfs/dbraw/zinc/88/13/89/441881389.db2.gz MBPIIKLUQSQALD-TZMCWYRMSA-N 1 0 339.461 1.571 20 70 EDIDRO COc1cccc(SCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160440786 441882772 /nfs/dbraw/zinc/88/27/72/441882772.db2.gz KDXSLEZAFXLHQT-AWEZNQCLSA-N 1 0 338.473 1.750 20 70 EDIDRO Cc1nc(C(=O)N(C)C)ccc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160469425 441885547 /nfs/dbraw/zinc/88/55/47/441885547.db2.gz MARMKYZOQPOXCE-OAHLLOKOSA-N 1 0 346.475 1.942 20 70 EDIDRO CCC[C@H]1CN(C(=O)NCCc2cnn(C)c2)CC[N@@H+]1CCOC ZINC000160473417 441887052 /nfs/dbraw/zinc/88/70/52/441887052.db2.gz SNIMOVKWHWOSEB-INIZCTEOSA-N 1 0 337.468 1.105 20 70 EDIDRO CC(=O)Nc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000160570182 441898047 /nfs/dbraw/zinc/89/80/47/441898047.db2.gz FGDDUJJVAWGCSP-CQSZACIVSA-N 1 0 337.395 1.361 20 70 EDIDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1NC(C)=O ZINC000160596756 441899857 /nfs/dbraw/zinc/89/98/57/441899857.db2.gz MUGVFOHMZSRFHA-SECBINFHSA-N 1 0 347.337 1.983 20 70 EDIDRO O=C(NCC1CCN(C(=O)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000161186459 441968600 /nfs/dbraw/zinc/96/86/00/441968600.db2.gz YYNPZBMGLXIJRB-UHFFFAOYSA-N 1 0 329.444 1.655 20 70 EDIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N1CCOCC1 ZINC000161235287 441976323 /nfs/dbraw/zinc/97/63/23/441976323.db2.gz BGHAZTAAMPPKBE-UHFFFAOYSA-N 1 0 342.443 1.800 20 70 EDIDRO COc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c(OC2CCCC2)c1 ZINC000160900328 441933962 /nfs/dbraw/zinc/93/39/62/441933962.db2.gz FRXGZIWYJJARGH-CZUORRHYSA-N 1 0 334.416 1.356 20 70 EDIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000160951999 441940487 /nfs/dbraw/zinc/94/04/87/441940487.db2.gz WEFVDTVKTZKARR-UHFFFAOYSA-N 1 0 345.509 1.196 20 70 EDIDRO C[N@H+](CC(=O)N1CCN(c2ccc(O)cc2)CC1)[C@@H]1CCSC1 ZINC000160977963 441943257 /nfs/dbraw/zinc/94/32/57/441943257.db2.gz ATDHEGUKWPFXIQ-OAHLLOKOSA-N 1 0 335.473 1.478 20 70 EDIDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COCc1ccc(OC)cc1 ZINC000161135239 441961677 /nfs/dbraw/zinc/96/16/77/441961677.db2.gz XJOZGOSRTOUHBY-KRWDZBQOSA-N 1 0 333.432 1.828 20 70 EDIDRO Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)no1 ZINC000161152015 441963725 /nfs/dbraw/zinc/96/37/25/441963725.db2.gz NOFUCNXSMPXGQG-WDEREUQCSA-N 1 0 326.422 1.041 20 70 EDIDRO CC[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C)c1 ZINC000161146231 441963954 /nfs/dbraw/zinc/96/39/54/441963954.db2.gz BUUXDBPLTUDTBA-UHFFFAOYSA-N 1 0 329.404 1.980 20 70 EDIDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161365911 441991462 /nfs/dbraw/zinc/99/14/62/441991462.db2.gz YNDZRTCLHJDFAQ-NXEZZACHSA-N 1 0 330.354 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20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000160806643 225481287 /nfs/dbraw/zinc/48/12/87/225481287.db2.gz SPJRZXNZQFDZQD-AWEZNQCLSA-N 1 0 348.447 1.818 20 70 EDIDRO CNC(=O)c1cccc(CCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161495855 302926786 /nfs/dbraw/zinc/92/67/86/302926786.db2.gz QSEWOENZFOZZIR-SJORKVTESA-N 1 0 331.460 1.968 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(F)cccc2F)C1 ZINC000159479300 441816285 /nfs/dbraw/zinc/81/62/85/441816285.db2.gz OTMSLFBMSFJECH-LBPRGKRZSA-N 1 0 339.386 1.997 20 70 EDIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000159362953 441806724 /nfs/dbraw/zinc/80/67/24/441806724.db2.gz WXXFOOBOQLRNAG-WDEREUQCSA-N 1 0 341.358 1.365 20 70 EDIDRO Cc1cnn(CCCCC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159429031 441811755 /nfs/dbraw/zinc/81/17/55/441811755.db2.gz LXRBFVWWLRMGLB-SFHVURJKSA-N 1 0 347.507 1.776 20 70 EDIDRO COc1ccccc1[C@H](NC(=O)CC[NH2+]C(C)C)c1noc(C)n1 ZINC000160112280 441860303 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CC(=O)Nc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1C ZINC000160389955 441876891 /nfs/dbraw/zinc/87/68/91/441876891.db2.gz PRYLYGDBVJFEDR-INIZCTEOSA-N 1 0 333.432 1.530 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000160458070 441885379 /nfs/dbraw/zinc/88/53/79/441885379.db2.gz OTAIBOPVYFYEEM-FZMZJTMJSA-N 1 0 349.460 1.160 20 70 EDIDRO COc1cccc(CCCN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000160516645 441891217 /nfs/dbraw/zinc/89/12/17/441891217.db2.gz FDTBZBGRQVZPHY-UHFFFAOYSA-N 1 0 345.487 1.868 20 70 EDIDRO CN(C)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000160536524 441894054 /nfs/dbraw/zinc/89/40/54/441894054.db2.gz TVJGPSXCVDFYST-IAGOWNOFSA-N 1 0 346.475 1.645 20 70 EDIDRO O=C(Cc1c[nH]c2ccc(F)cc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160607902 441900387 /nfs/dbraw/zinc/90/03/87/441900387.db2.gz JPEZOZYHRHYJJY-OAHLLOKOSA-N 1 0 333.407 1.813 20 70 EDIDRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1CC[NH+](C)CC1)CC2 ZINC000161230960 441974916 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Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CC[NH2+]C(C)C ZINC000161142655 441961638 /nfs/dbraw/zinc/96/16/38/441961638.db2.gz CDWPKTSALFPIQC-UHFFFAOYSA-N 1 0 333.432 1.794 20 70 EDIDRO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)Oc1cccc(F)c1 ZINC000161146429 441963464 /nfs/dbraw/zinc/96/34/64/441963464.db2.gz ZMXCNDOIWUBKIW-LBPRGKRZSA-N 1 0 347.394 1.539 20 70 EDIDRO CCc1ncc(NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cn1 ZINC000161164318 441964464 /nfs/dbraw/zinc/96/44/64/441964464.db2.gz TUZUEVUHZUUSFV-UHFFFAOYSA-N 1 0 348.451 1.057 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000161181255 441966898 /nfs/dbraw/zinc/96/68/98/441966898.db2.gz ISZRZDBLTINNFJ-UHFFFAOYSA-N 1 0 347.459 1.745 20 70 EDIDRO O[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)COc1ccc(F)c(F)c1 ZINC000161457487 442002289 /nfs/dbraw/zinc/00/22/89/442002289.db2.gz LTDOSODDBONSRT-ZDUSSCGKSA-N 1 0 343.370 1.980 20 70 EDIDRO CCC(CC)[C@H](C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)N1CCOCC1 ZINC000161437318 441999376 /nfs/dbraw/zinc/99/93/76/441999376.db2.gz ZYYBGKUVKXWINJ-SUMWQHHRSA-N 1 0 336.480 1.902 20 70 EDIDRO C[NH2+]CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000161290129 441980540 /nfs/dbraw/zinc/98/05/40/441980540.db2.gz QSSCLXHASFDGIT-LBPRGKRZSA-N 1 0 327.331 1.119 20 70 EDIDRO CCn1c2ccccc2n(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1=O ZINC000161491111 442005754 /nfs/dbraw/zinc/00/57/54/442005754.db2.gz SQNNMSHJIGOROB-YIONKMFJSA-N 1 0 342.443 1.564 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000161139849 486642951 /nfs/dbraw/zinc/64/29/51/486642951.db2.gz QYHYLZUVGHTEIJ-CABCVRRESA-N 1 0 329.400 1.335 20 70 EDIDRO COc1ccc(C(=O)NCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161321661 486643877 /nfs/dbraw/zinc/64/38/77/486643877.db2.gz PXDLQHADPTWOBR-LSDHHAIUSA-N 1 0 333.432 1.591 20 70 EDIDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000159790385 528954419 /nfs/dbraw/zinc/95/44/19/528954419.db2.gz DMOVTDUQGSWCKK-CQSZACIVSA-N 1 0 339.461 1.391 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000160073937 295658346 /nfs/dbraw/zinc/65/83/46/295658346.db2.gz DUPOLPQWFVCLQM-OAHLLOKOSA-N 1 0 329.400 1.918 20 70 EDIDRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159493456 529950040 /nfs/dbraw/zinc/95/00/40/529950040.db2.gz VGNWWBJEZDVPDN-INWMFGNUSA-N 1 0 333.432 1.466 20 70 EDIDRO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)C[C@@H]1CCC[C@@H]1O ZINC000159489526 540009962 /nfs/dbraw/zinc/00/99/62/540009962.db2.gz JAGCRVPEVCGUHI-ZFWWWQNUSA-N 1 0 334.416 1.879 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000159606988 540011019 /nfs/dbraw/zinc/01/10/19/540011019.db2.gz URWJYANXLPRMPW-UHFFFAOYSA-N 1 0 328.420 1.505 20 70 EDIDRO COc1cc(C)cc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000159667254 533634565 /nfs/dbraw/zinc/63/45/65/533634565.db2.gz SQMBVPKFDPWIHK-MRXNPFEDSA-N 1 0 348.491 1.686 20 70 EDIDRO Cc1noc(Cl)c1CCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159939725 225306421 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CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159537907 441819394 /nfs/dbraw/zinc/81/93/94/441819394.db2.gz FHTFHCILYCEWIR-JONQDZQNSA-N 1 0 340.464 1.269 20 70 EDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCOc2ccccc2F)CC1 ZINC000159423279 441811816 /nfs/dbraw/zinc/81/18/16/441811816.db2.gz DRZJRSWWCRRHRQ-INIZCTEOSA-N 1 0 335.423 1.619 20 70 EDIDRO CCS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159460417 441814742 /nfs/dbraw/zinc/81/47/42/441814742.db2.gz MPAIFORASMEKOB-GASCZTMLSA-N 1 0 336.457 1.376 20 70 EDIDRO CN1CC[NH+](CCCCNC(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000159781684 441838098 /nfs/dbraw/zinc/83/80/98/441838098.db2.gz JCBRFVXPPXOASH-UHFFFAOYSA-N 1 0 342.447 1.025 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000160357213 441873673 /nfs/dbraw/zinc/87/36/73/441873673.db2.gz SMUPFHXORIQJJN-SFHVURJKSA-N 1 0 343.471 1.979 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000159805016 441840169 /nfs/dbraw/zinc/84/01/69/441840169.db2.gz HNINCBJMRHECRO-OAHLLOKOSA-N 1 0 335.473 1.506 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(C1)OCCO2 ZINC000159939699 441848799 /nfs/dbraw/zinc/84/87/99/441848799.db2.gz ZREHGCLEXZJOBG-RDJZCZTQSA-N 1 0 345.443 1.665 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000160617091 441901773 /nfs/dbraw/zinc/90/17/73/441901773.db2.gz GFBBMEPJHAZKPM-HNNXBMFYSA-N 1 0 346.406 1.792 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)C1 ZINC000160630358 441903820 /nfs/dbraw/zinc/90/38/20/441903820.db2.gz MDINNQPAUXVDDG-MRXNPFEDSA-N 1 0 338.496 1.999 20 70 EDIDRO CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC000160382440 441875402 /nfs/dbraw/zinc/87/54/02/441875402.db2.gz YKZOPMXSUMMGGS-GFCCVEGCSA-N 1 0 343.449 1.038 20 70 EDIDRO C[NH+]1CCN(CCNC(=O)CSc2nccc3ccccc32)CC1 ZINC000160391282 441876307 /nfs/dbraw/zinc/87/63/07/441876307.db2.gz GWHWALAKPMGRND-UHFFFAOYSA-N 1 0 344.484 1.691 20 70 EDIDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(NC(N)=O)CC2)cc1 ZINC000160465229 441885765 /nfs/dbraw/zinc/88/57/65/441885765.db2.gz FJGGGZDLWPVMAI-UHFFFAOYSA-N 1 0 348.447 1.224 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)C1 ZINC000160562317 441896297 /nfs/dbraw/zinc/89/62/97/441896297.db2.gz ZMHKQYRXYYCLRP-KGLIPLIRSA-N 1 0 348.422 1.890 20 70 EDIDRO CNC(=O)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161229958 441974824 /nfs/dbraw/zinc/97/48/24/441974824.db2.gz OSQYFIJJAXQLJO-UHFFFAOYSA-N 1 0 347.394 1.536 20 70 EDIDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160879341 441931293 /nfs/dbraw/zinc/93/12/93/441931293.db2.gz DDQXCQDFFJSYIX-LLVKDONJSA-N 1 0 347.385 1.922 20 70 EDIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160975197 441942340 /nfs/dbraw/zinc/94/23/40/441942340.db2.gz XUWIKNRDJMIURY-HOCLYGCPSA-N 1 0 333.432 1.156 20 70 EDIDRO COC(=O)C(C)(C)c1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000161040892 441950260 /nfs/dbraw/zinc/95/02/60/441950260.db2.gz CBZAQCPXWHSZNA-OAHLLOKOSA-N 1 0 334.416 1.844 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000161052317 441951086 /nfs/dbraw/zinc/95/10/86/441951086.db2.gz VOTSMYAAVDCRCP-JTQLQIEISA-N 1 0 338.351 1.958 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000161127951 441961283 /nfs/dbraw/zinc/96/12/83/441961283.db2.gz GTAIGAAGFXRLMH-HNNXBMFYSA-N 1 0 336.484 1.687 20 70 EDIDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@H](C)C[NH2+]C)C1 ZINC000161389548 441993917 /nfs/dbraw/zinc/99/39/17/441993917.db2.gz OQGVEVAWCWNGIP-VXGBXAGGSA-N 1 0 337.386 1.491 20 70 EDIDRO CCOc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]C)CC1=O ZINC000161272686 441979835 /nfs/dbraw/zinc/97/98/35/441979835.db2.gz VXKICGREXBAUOO-CABCVRRESA-N 1 0 345.443 1.649 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000161279505 441981304 /nfs/dbraw/zinc/98/13/04/441981304.db2.gz VPDVVMRXWCGOGP-CYBMUJFWSA-N 1 0 339.386 1.685 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000161315803 441984574 /nfs/dbraw/zinc/98/45/74/441984574.db2.gz XOIJMQOFSIXJFD-FZMZJTMJSA-N 1 0 337.370 1.528 20 70 EDIDRO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159805027 534053590 /nfs/dbraw/zinc/05/35/90/534053590.db2.gz PWCCGLVYSAISDC-ZBFHGGJFSA-N 1 0 334.416 1.813 20 70 EDIDRO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159746790 534291244 /nfs/dbraw/zinc/29/12/44/534291244.db2.gz LHOPSJLOHIJPSC-CJNGLKHVSA-N 1 0 334.416 1.529 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000160036689 534755789 /nfs/dbraw/zinc/75/57/89/534755789.db2.gz GLLIZJUVJVVEFB-LBPRGKRZSA-N 1 0 348.428 1.936 20 70 EDIDRO CC(=O)c1cccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000159976777 527373174 /nfs/dbraw/zinc/37/31/74/527373174.db2.gz QNPXDBNYRADQPW-MRXNPFEDSA-N 1 0 334.416 1.231 20 70 EDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2ccccc2)=N1 ZINC000161350234 540033151 /nfs/dbraw/zinc/03/31/51/540033151.db2.gz JHZWBWWELWLVME-UHFFFAOYSA-N 1 0 349.438 1.840 20 70 EDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCc1ccccc1F ZINC000161392488 540033837 /nfs/dbraw/zinc/03/38/37/540033837.db2.gz QTBVQDIOFRYYJD-UHFFFAOYSA-N 1 0 328.391 1.659 20 70 EDIDRO COc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159410640 533593817 /nfs/dbraw/zinc/59/38/17/533593817.db2.gz DVFPWKWQZDZSKW-CQSZACIVSA-N 1 0 333.432 1.728 20 70 EDIDRO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159740097 225269906 /nfs/dbraw/zinc/26/99/06/225269906.db2.gz QLYUFTQVSDPGIC-ZBFHGGJFSA-N 1 0 333.432 1.420 20 70 EDIDRO O=C(COc1ccccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159956797 225310194 /nfs/dbraw/zinc/31/01/94/225310194.db2.gz BJIISZASZRSSJV-CYBMUJFWSA-N 1 0 326.824 1.682 20 70 EDIDRO Cc1nc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c(=O)[nH]c1C ZINC000160002924 225318061 /nfs/dbraw/zinc/31/80/61/225318061.db2.gz FOGFSHYWSNOMAR-UHFFFAOYSA-N 1 0 332.448 1.723 20 70 EDIDRO COCC[NH+]1CCC(NC(=O)Cc2cccc(C(=O)OC)c2)CC1 ZINC000160300379 225383785 /nfs/dbraw/zinc/38/37/85/225383785.db2.gz LJFTUEPKPDTFQF-UHFFFAOYSA-N 1 0 334.416 1.243 20 70 EDIDRO [NH3+]CCCNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000160055411 225328658 /nfs/dbraw/zinc/32/86/58/225328658.db2.gz QMHSRWMESQBESZ-LBPRGKRZSA-N 1 0 343.349 1.519 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC2(CO)CCOCC2)C1 ZINC000159806355 267497755 /nfs/dbraw/zinc/49/77/55/267497755.db2.gz LTNJKOOYWOVEAJ-MRXNPFEDSA-N 1 0 341.496 1.443 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)C1 ZINC000160562557 277300950 /nfs/dbraw/zinc/30/09/50/277300950.db2.gz ZMHKQYRXYYCLRP-KBPBESRZSA-N 1 0 348.422 1.890 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000159485247 441816471 /nfs/dbraw/zinc/81/64/71/441816471.db2.gz FLQBUJBHBUQQEM-OWCLPIDISA-N 1 0 327.469 1.696 20 70 EDIDRO CC(C)CC(=O)NCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159537045 441819472 /nfs/dbraw/zinc/81/94/72/441819472.db2.gz UQTDRCVMWJXRRF-UHFFFAOYSA-N 1 0 347.463 1.324 20 70 EDIDRO CCOC(=O)CCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159362310 441806698 /nfs/dbraw/zinc/80/66/98/441806698.db2.gz PQALYNRIENAHIZ-OAHLLOKOSA-N 1 0 325.453 1.134 20 70 EDIDRO CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)CC1 ZINC000160089491 441858515 /nfs/dbraw/zinc/85/85/15/441858515.db2.gz UARXUCGLHUPXBG-WMZOPIPTSA-N 1 0 330.476 1.814 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160194130 441864622 /nfs/dbraw/zinc/86/46/22/441864622.db2.gz AEAVKVSHVYKFQH-UHFFFAOYSA-N 1 0 348.447 1.818 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000160357075 441873713 /nfs/dbraw/zinc/87/37/13/441873713.db2.gz SMUPFHXORIQJJN-GOSISDBHSA-N 1 0 343.471 1.979 20 70 EDIDRO CC(=O)N1CC[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000159923371 441847178 /nfs/dbraw/zinc/84/71/78/441847178.db2.gz KNWFKNXLFWUHGG-KRWDZBQOSA-N 1 0 346.475 1.817 20 70 EDIDRO COc1cc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1O ZINC000160014683 441853655 /nfs/dbraw/zinc/85/36/55/441853655.db2.gz XCLJTBLIIDEUKH-HNNXBMFYSA-N 1 0 335.448 1.925 20 70 EDIDRO C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000160679381 441907869 /nfs/dbraw/zinc/90/78/69/441907869.db2.gz DXOCCUHVQXZPNW-FHWLQOOXSA-N 1 0 347.503 1.888 20 70 EDIDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160688900 441909620 /nfs/dbraw/zinc/90/96/20/441909620.db2.gz NKCSHLANOLTSKF-CQSZACIVSA-N 1 0 338.411 1.755 20 70 EDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160731432 441914419 /nfs/dbraw/zinc/91/44/19/441914419.db2.gz XOOFSDOPBXNSRC-NSHDSACASA-N 1 0 349.357 1.678 20 70 EDIDRO Cn1nccc1/C=C/C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160764252 441918110 /nfs/dbraw/zinc/91/81/10/441918110.db2.gz NDKYRGSEVKNTJE-YQJUVHNHSA-N 1 0 340.427 1.185 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000160371133 441875325 /nfs/dbraw/zinc/87/53/25/441875325.db2.gz ALNZQJQXPMDCDV-UHFFFAOYSA-N 1 0 345.509 1.137 20 70 EDIDRO CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000160382450 441875367 /nfs/dbraw/zinc/87/53/67/441875367.db2.gz LUUKLCKLTVMIDO-INIZCTEOSA-N 1 0 338.496 1.761 20 70 EDIDRO CCN1CC[NH+](CCCCNC(=O)N(C[C@@H](C)O)C(C)C)CC1 ZINC000160399953 441878106 /nfs/dbraw/zinc/87/81/06/441878106.db2.gz IDFKDRSLGOVBCA-MRXNPFEDSA-N 1 0 328.501 1.205 20 70 EDIDRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160426943 441880353 /nfs/dbraw/zinc/88/03/53/441880353.db2.gz ZCZHWENICAMPJT-GJZGRUSLSA-N 1 0 325.453 1.042 20 70 EDIDRO COC(=O)c1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160501646 441890097 /nfs/dbraw/zinc/89/00/97/441890097.db2.gz IRIRKKFVQUUTDA-JEJOPICUSA-N 1 0 346.427 1.449 20 70 EDIDRO CC(C)(C)c1noc(CCC(=O)NCC2CC[NH+](CCO)CC2)n1 ZINC000160572027 441897312 /nfs/dbraw/zinc/89/73/12/441897312.db2.gz VTMLZEYVPQSLLP-UHFFFAOYSA-N 1 0 338.452 1.120 20 70 EDIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160594492 441899807 /nfs/dbraw/zinc/89/98/07/441899807.db2.gz CDJMAWDYWIVRQF-AWEZNQCLSA-N 1 0 332.510 1.971 20 70 EDIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160597036 441900127 /nfs/dbraw/zinc/90/01/27/441900127.db2.gz LAPRCUDXYKGKAD-AWEZNQCLSA-N 1 0 332.510 1.828 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000161274628 441979322 /nfs/dbraw/zinc/97/93/22/441979322.db2.gz FRGDVDGVEFPORG-MHJFOBGBSA-N 1 0 345.487 1.443 20 70 EDIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(CCO)C2CC2)CC1 ZINC000161267708 441979539 /nfs/dbraw/zinc/97/95/39/441979539.db2.gz XUNBKLFZCREILW-AWEZNQCLSA-N 1 0 332.448 1.773 20 70 EDIDRO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000161224238 441975155 /nfs/dbraw/zinc/97/51/55/441975155.db2.gz TWERTPAVXRJUNJ-INIZCTEOSA-N 1 0 333.432 1.608 20 70 EDIDRO CNC(=O)c1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000161244629 441975717 /nfs/dbraw/zinc/97/57/17/441975717.db2.gz SZLKFTKHLROERD-AWEZNQCLSA-N 1 0 327.450 1.040 20 70 EDIDRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000161241359 441976564 /nfs/dbraw/zinc/97/65/64/441976564.db2.gz SYIKZVQYWRUDBR-OAHLLOKOSA-N 1 0 327.450 1.639 20 70 EDIDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)NC(=O)NC1CC1 ZINC000160872335 441930214 /nfs/dbraw/zinc/93/02/14/441930214.db2.gz ZBSIWCRAHQHLBV-CHWSQXEVSA-N 1 0 341.415 1.900 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)n1 ZINC000160917836 441935887 /nfs/dbraw/zinc/93/58/87/441935887.db2.gz FXKJCQJORWRUGL-UHFFFAOYSA-N 1 0 349.479 1.716 20 70 EDIDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000161043381 441950190 /nfs/dbraw/zinc/95/01/90/441950190.db2.gz NPESSILTAIYFRC-CYBMUJFWSA-N 1 0 333.432 1.618 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000161052446 441950964 /nfs/dbraw/zinc/95/09/64/441950964.db2.gz VOTSMYAAVDCRCP-SNVBAGLBSA-N 1 0 338.351 1.958 20 70 EDIDRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000161088297 441955299 /nfs/dbraw/zinc/95/52/99/441955299.db2.gz INABJHUVCBTTAW-GOEBONIOSA-N 1 0 329.404 1.225 20 70 EDIDRO COc1cccc(N2CCC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)C2=O)c1 ZINC000161091981 441956457 /nfs/dbraw/zinc/95/64/57/441956457.db2.gz GEGOXBZTPVRKOT-CVEARBPZSA-N 1 0 331.416 1.449 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 ZINC000161117562 441959604 /nfs/dbraw/zinc/95/96/04/441959604.db2.gz AGFCAGQPKKGHOU-UHFFFAOYSA-N 1 0 342.443 1.553 20 70 EDIDRO Cc1cnccc1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000161370460 441991118 /nfs/dbraw/zinc/99/11/18/441991118.db2.gz BAUIUTMGKONQLC-MRXNPFEDSA-N 1 0 346.475 1.733 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000161300000 441981720 /nfs/dbraw/zinc/98/17/20/441981720.db2.gz AJLTZNRUOMBVNL-HNNXBMFYSA-N 1 0 346.406 1.569 20 70 EDIDRO COc1ccc(C(=O)NCC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161334144 441987877 /nfs/dbraw/zinc/98/78/77/441987877.db2.gz LOXRTEODEOLMPC-UHFFFAOYSA-N 1 0 333.432 1.462 20 70 EDIDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159853715 318421223 /nfs/dbraw/zinc/42/12/23/318421223.db2.gz ZLTGHKHEWUETCA-HUUCEWRRSA-N 1 0 345.447 1.849 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000218194011 443057888 /nfs/dbraw/zinc/05/78/88/443057888.db2.gz VXCWPDQPIIWNKG-LLVKDONJSA-N 1 0 335.231 1.801 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1 ZINC000161223236 486643284 /nfs/dbraw/zinc/64/32/84/486643284.db2.gz CIUNZRCNCBWEON-HOCLYGCPSA-N 1 0 347.463 1.332 20 70 EDIDRO CC(=O)N[C@H](CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000161281417 486643619 /nfs/dbraw/zinc/64/36/19/486643619.db2.gz PFJOJINPIJVNCL-SLEUVZQESA-N 1 0 339.386 1.918 20 70 EDIDRO COC(=O)c1ccc(NC(=O)C2(OC)CC[NH2+]CC2)cc1Cl ZINC000159466529 534198587 /nfs/dbraw/zinc/19/85/87/534198587.db2.gz LNLYYTZTKGQICO-UHFFFAOYSA-N 1 0 326.780 1.834 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCCc2cccnc2)CC[N@@H+]1CCOC ZINC000160146467 527777812 /nfs/dbraw/zinc/77/78/12/527777812.db2.gz ZIFGIRLRGJSGLO-QGZVFWFLSA-N 1 0 334.464 1.766 20 70 EDIDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(CS(C)(=O)=O)o2)CC1 ZINC000161375504 527960947 /nfs/dbraw/zinc/96/09/47/527960947.db2.gz ZGAHNDIQCGHUOX-UHFFFAOYSA-N 1 0 342.461 1.674 20 70 EDIDRO CCOc1ncc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000160204630 528776233 /nfs/dbraw/zinc/77/62/33/528776233.db2.gz YRCSTSRFDHBZOY-CYBMUJFWSA-N 1 0 341.839 1.710 20 70 EDIDRO CCOC(=O)CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160089869 528816560 /nfs/dbraw/zinc/81/65/60/528816560.db2.gz IJMSUSTZCARYKO-UHFFFAOYSA-N 1 0 334.416 1.184 20 70 EDIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159732614 528971398 /nfs/dbraw/zinc/97/13/98/528971398.db2.gz RGZWINASOBBOTL-AWEZNQCLSA-N 1 0 326.462 1.842 20 70 EDIDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)C[C@H](O)C1CC1 ZINC000160825685 540027089 /nfs/dbraw/zinc/02/70/89/540027089.db2.gz DGPPPKYSNYJCJP-DOMZBBRYSA-N 1 0 334.416 1.878 20 70 EDIDRO COC(=O)[C@H]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160024145 533417016 /nfs/dbraw/zinc/41/70/16/533417016.db2.gz RSKYASQSUNYHOR-XIRDDKMYSA-N 1 0 345.443 1.711 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159710165 533602550 /nfs/dbraw/zinc/60/25/50/533602550.db2.gz CCKUPHXPGWTSSN-CYBMUJFWSA-N 1 0 327.425 1.142 20 70 EDIDRO CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160193729 225357951 /nfs/dbraw/zinc/35/79/51/225357951.db2.gz FUECZAZDVZEFNU-UHFFFAOYSA-N 1 0 341.477 1.150 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 ZINC000160729516 267506912 /nfs/dbraw/zinc/50/69/12/267506912.db2.gz OWVQCNCZHNBFMJ-JTQLQIEISA-N 1 0 334.401 1.351 20 70 EDIDRO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159703810 274190916 /nfs/dbraw/zinc/19/09/16/274190916.db2.gz CIXFLLXYYZODBJ-XEZPLFJOSA-N 1 0 331.416 1.453 20 70 EDIDRO COC(=O)Cn1cc(CCN2CCC[C@@H]([NH+]3CCCCCC3)C2)nn1 ZINC000160089822 441858297 /nfs/dbraw/zinc/85/82/97/441858297.db2.gz HSZWENUFVMILNS-QGZVFWFLSA-N 1 0 349.479 1.334 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000160187918 441863591 /nfs/dbraw/zinc/86/35/91/441863591.db2.gz ZCMZNXNUUAMKAY-OAHLLOKOSA-N 1 0 342.399 1.875 20 70 EDIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160264707 441870201 /nfs/dbraw/zinc/87/02/01/441870201.db2.gz QEQFBFSAIHWBPD-RISCZKNCSA-N 1 0 332.491 1.823 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159738507 441833979 /nfs/dbraw/zinc/83/39/79/441833979.db2.gz ODCASMPRJTVBNF-ZDUSSCGKSA-N 1 0 327.425 1.142 20 70 EDIDRO CC(C)[NH+]1CCC(NC(=O)CSCCN2CCOCC2)CC1 ZINC000159807183 441839858 /nfs/dbraw/zinc/83/98/58/441839858.db2.gz WGURPOVQXRVVHM-UHFFFAOYSA-N 1 0 329.510 1.041 20 70 EDIDRO CC(C)[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000159947963 441849724 /nfs/dbraw/zinc/84/97/24/441849724.db2.gz JAFLMBJSLLVNFS-HNNXBMFYSA-N 1 0 339.386 1.623 20 70 EDIDRO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160622714 441902945 /nfs/dbraw/zinc/90/29/45/441902945.db2.gz SOQXQJCSXAVTHU-JLSDUUJJSA-N 1 0 343.471 1.806 20 70 EDIDRO Cn1nccc1/C=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160764376 441917959 /nfs/dbraw/zinc/91/79/59/441917959.db2.gz NDKYRGSEVKNTJE-KBSZCIAZSA-N 1 0 340.427 1.185 20 70 EDIDRO Cc1cc(C)n(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000160760848 441918330 /nfs/dbraw/zinc/91/83/30/441918330.db2.gz GRAJMCLRAQMLFH-SJORKVTESA-N 1 0 334.464 1.384 20 70 EDIDRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160426817 441880046 /nfs/dbraw/zinc/88/00/46/441880046.db2.gz ZCZHWENICAMPJT-CABCVRRESA-N 1 0 325.453 1.042 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cnc(-c2ncccn2)s1 ZINC000160418335 441880690 /nfs/dbraw/zinc/88/06/90/441880690.db2.gz LVBVGAOHABNPNC-GFCCVEGCSA-N 1 0 347.444 1.177 20 70 EDIDRO CC[C@H](COC)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160434278 441882386 /nfs/dbraw/zinc/88/23/86/441882386.db2.gz YLOYADCZBUAPEG-OAHLLOKOSA-N 1 0 326.462 1.986 20 70 EDIDRO CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160440768 441883822 /nfs/dbraw/zinc/88/38/22/441883822.db2.gz ILXJSLPYBMAFEZ-TXEJJXNPSA-N 1 0 340.420 1.586 20 70 EDIDRO Cc1cc(C)n2nc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)nc2n1 ZINC000160457623 441886462 /nfs/dbraw/zinc/88/64/62/441886462.db2.gz FVVGPQQJOHELEQ-CQSZACIVSA-N 1 0 330.436 1.591 20 70 EDIDRO CCc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)[nH]c(C)c1C(N)=O ZINC000160538836 441893794 /nfs/dbraw/zinc/89/37/94/441893794.db2.gz WBLGSARJBCCKEP-UHFFFAOYSA-N 1 0 342.443 1.976 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000160563230 441897384 /nfs/dbraw/zinc/89/73/84/441897384.db2.gz CVOFZAPBQNOAOV-NOLJZWGESA-N 1 0 326.462 1.796 20 70 EDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000161246147 441976269 /nfs/dbraw/zinc/97/62/69/441976269.db2.gz ZSYMZVINMNMUKZ-WBMJQRKESA-N 1 0 348.422 1.814 20 70 EDIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000161250269 441977525 /nfs/dbraw/zinc/97/75/25/441977525.db2.gz LXSNTMFIOUQZEU-YESZJQIVSA-N 1 0 345.443 1.048 20 70 EDIDRO CN(C)c1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(F)c1 ZINC000160913778 441935896 /nfs/dbraw/zinc/93/58/96/441935896.db2.gz DOKDNSHRDNGFLV-UHFFFAOYSA-N 1 0 336.455 1.648 20 70 EDIDRO NC(=O)CCn1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000160947792 441938768 /nfs/dbraw/zinc/93/87/68/441938768.db2.gz VMHJUZVHHGBBDB-UHFFFAOYSA-N 1 0 341.415 1.018 20 70 EDIDRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000160993136 441945559 /nfs/dbraw/zinc/94/55/59/441945559.db2.gz HBVSLMVTTJPICW-OAHLLOKOSA-N 1 0 342.443 1.702 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000161071225 441952754 /nfs/dbraw/zinc/95/27/54/441952754.db2.gz PQECFVHARMNHFB-UHFFFAOYSA-N 1 0 325.434 1.457 20 70 EDIDRO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1)C(C)C ZINC000161425784 441999476 /nfs/dbraw/zinc/99/94/76/441999476.db2.gz JJNPRGBXRNFSQD-IAGOWNOFSA-N 1 0 347.459 1.680 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000161346593 441988951 /nfs/dbraw/zinc/98/89/51/441988951.db2.gz APISHIVLDPXVEF-CYBMUJFWSA-N 1 0 340.445 1.069 20 70 EDIDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000218131005 443058121 /nfs/dbraw/zinc/05/81/21/443058121.db2.gz SJHXQGZPGAMHPC-DZGCQCFKSA-N 1 0 341.477 1.095 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000161139629 486642593 /nfs/dbraw/zinc/64/25/93/486642593.db2.gz QYHYLZUVGHTEIJ-GJZGRUSLSA-N 1 0 329.400 1.335 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000161442729 486644355 /nfs/dbraw/zinc/64/43/55/486644355.db2.gz WMSNFBYVXIDQJA-QWRGUYRKSA-N 1 0 336.823 1.869 20 70 EDIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160145088 529010972 /nfs/dbraw/zinc/01/09/72/529010972.db2.gz FQPSNFDEPMVDRT-SFHVURJKSA-N 1 0 345.491 1.783 20 70 EDIDRO CC[NH+]1CCN(CCC(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)CC1 ZINC000159691388 529140997 /nfs/dbraw/zinc/14/09/97/529140997.db2.gz NWJXTXGPZKOQFW-PKOBYXMFSA-N 1 0 347.503 1.685 20 70 EDIDRO C[N@@H+](CC(=O)NC(=O)NCc1cccs1)C[C@H]1CCC[C@@H]1O ZINC000159481880 529830307 /nfs/dbraw/zinc/83/03/07/529830307.db2.gz ZWZNYSYPRHQBHR-YPMHNXCESA-N 1 0 325.434 1.167 20 70 EDIDRO COc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161298842 539484704 /nfs/dbraw/zinc/48/47/04/539484704.db2.gz ZYHUDLKVUZACRJ-UHFFFAOYSA-N 1 0 326.400 1.851 20 70 EDIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161079223 540030508 /nfs/dbraw/zinc/03/05/08/540030508.db2.gz ZSFRBNOGVGBETG-HNNXBMFYSA-N 1 0 341.411 1.690 20 70 EDIDRO COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1O ZINC000159450702 533404591 /nfs/dbraw/zinc/40/45/91/533404591.db2.gz ZBZAOFIYJHUTFG-JKSUJKDBSA-N 1 0 348.443 1.899 20 70 EDIDRO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000159430307 225215100 /nfs/dbraw/zinc/21/51/00/225215100.db2.gz JLPRNFCDFPRYFJ-INIZCTEOSA-N 1 0 345.443 1.126 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000159636412 225253187 /nfs/dbraw/zinc/25/31/87/225253187.db2.gz NHOXFDXGHDGVNT-GFCCVEGCSA-N 1 0 326.441 1.662 20 70 EDIDRO C[C@H]1C[C@@H](NC(=O)N2CCNC(=O)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000160088015 225335368 /nfs/dbraw/zinc/33/53/68/225335368.db2.gz MQCOCWYLRADTLR-OFQRWUPVSA-N 1 0 330.432 1.179 20 70 EDIDRO Cn1cnc(-c2ccc(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2)n1 ZINC000160519125 267503231 /nfs/dbraw/zinc/50/32/31/267503231.db2.gz XJKYDOHPWXREEX-HNNXBMFYSA-N 1 0 344.419 1.276 20 70 EDIDRO COC(=O)Cn1cc(CC[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)nn1 ZINC000161167480 277332310 /nfs/dbraw/zinc/33/23/10/277332310.db2.gz NJPJAGXHNNLYBA-GOEBONIOSA-N 1 0 328.416 1.872 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000160007680 302919769 /nfs/dbraw/zinc/91/97/69/302919769.db2.gz KZAIDSKYHZCZGR-UHFFFAOYSA-N 1 0 344.415 1.862 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)CC[NH+]2CCCC2)c1CC ZINC000160479939 302922608 /nfs/dbraw/zinc/92/26/08/302922608.db2.gz WSTIGZFQHWGEFY-UHFFFAOYSA-N 1 0 335.452 1.132 20 70 EDIDRO COC(=O)CCc1nnc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)s1 ZINC000159462495 441815426 /nfs/dbraw/zinc/81/54/26/441815426.db2.gz ZSLVVJDXSMRECB-SNVBAGLBSA-N 1 0 340.449 1.608 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)c2cccc(C[NH+](C)C)c2)c1CC ZINC000160111717 441860578 /nfs/dbraw/zinc/86/05/78/441860578.db2.gz CTRYEKUUPFXWEC-UHFFFAOYSA-N 1 0 342.443 1.886 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160169782 441862622 /nfs/dbraw/zinc/86/26/22/441862622.db2.gz MVIKXMVZEGCYFO-HNNXBMFYSA-N 1 0 325.453 1.988 20 70 EDIDRO CC(C)C(=O)NCCN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160216139 441866342 /nfs/dbraw/zinc/86/63/42/441866342.db2.gz IIMARNXFTGCVEC-QGZVFWFLSA-N 1 0 348.491 1.110 20 70 EDIDRO O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160368834 441874795 /nfs/dbraw/zinc/87/47/95/441874795.db2.gz CTRSQKUJEFYAPM-ZACQAIPSSA-N 1 0 327.428 1.388 20 70 EDIDRO C[C@@H]1C[C@H](NC(=O)N2CCNC(=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160263528 441869784 /nfs/dbraw/zinc/86/97/84/441869784.db2.gz SOSZAJSHOYAURI-ZBFHGGJFSA-N 1 0 330.432 1.181 20 70 EDIDRO Cn1cc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000160831808 441926635 /nfs/dbraw/zinc/92/66/35/441926635.db2.gz AYZWMPUNWJSVIS-LBPRGKRZSA-N 1 0 345.369 1.819 20 70 EDIDRO COCCC1(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000161194904 441969310 /nfs/dbraw/zinc/96/93/10/441969310.db2.gz FYCQJJMQAMNXOC-IRXDYDNUSA-N 1 0 337.508 1.820 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000161249295 441977660 /nfs/dbraw/zinc/97/76/60/441977660.db2.gz SJXUPAXUNPGIHH-HNNXBMFYSA-N 1 0 329.400 1.160 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000161066048 441952687 /nfs/dbraw/zinc/95/26/87/441952687.db2.gz HAQFJGLJHRWAEO-CYBMUJFWSA-N 1 0 336.436 1.578 20 70 EDIDRO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1)C1CC1 ZINC000161093341 441956514 /nfs/dbraw/zinc/95/65/14/441956514.db2.gz AQPRYLYHJYIXAC-DLBZAZTESA-N 1 0 345.443 1.434 20 70 EDIDRO CCc1ncc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000161130061 441961419 /nfs/dbraw/zinc/96/14/19/441961419.db2.gz FVDNPFXOJOIROM-HOTGVXAUSA-N 1 0 347.463 1.928 20 70 EDIDRO Cc1ccoc1C(=O)NCCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000161446717 442000751 /nfs/dbraw/zinc/00/07/51/442000751.db2.gz QPKVLUFTPHYASQ-OAHLLOKOSA-N 1 0 329.400 1.394 20 70 EDIDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000161305678 441983606 /nfs/dbraw/zinc/98/36/06/441983606.db2.gz VGXCTZGJXXUJGV-MRXNPFEDSA-N 1 0 332.379 1.049 20 70 EDIDRO CC1CC[NH+](C2CCC(NC(=O)CCCS(C)(=O)=O)CC2)CC1 ZINC000161492387 442005251 /nfs/dbraw/zinc/00/52/51/442005251.db2.gz LHVBYDBEIUBLJL-UHFFFAOYSA-N 1 0 344.521 1.971 20 70 EDIDRO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccco1 ZINC000161472419 442003233 /nfs/dbraw/zinc/00/32/33/442003233.db2.gz YGUDBJDEBVQKGR-CYBMUJFWSA-N 1 0 329.400 1.776 20 70 EDIDRO CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)co1 ZINC000161479555 442004069 /nfs/dbraw/zinc/00/40/69/442004069.db2.gz WZWRYDQKHUPXGX-CYBMUJFWSA-N 1 0 343.449 1.038 20 70 EDIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000160068047 528266524 /nfs/dbraw/zinc/26/65/24/528266524.db2.gz FJQUSXWMAXGHJU-GFCCVEGCSA-N 1 0 336.411 1.815 20 70 EDIDRO CCOC(=O)c1ccn(-c2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000159464406 528272093 /nfs/dbraw/zinc/27/20/93/528272093.db2.gz DTWHLFLZWUREAN-ZDUSSCGKSA-N 1 0 342.399 1.987 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC000161092917 528287064 /nfs/dbraw/zinc/28/70/64/528287064.db2.gz AEMUIJPNBYLLEB-GOSISDBHSA-N 1 0 339.524 1.972 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000159577036 529023842 /nfs/dbraw/zinc/02/38/42/529023842.db2.gz PSDLHHHRGDCJOH-UHFFFAOYSA-N 1 0 348.447 1.621 20 70 EDIDRO COC1(CNC(=O)c2ccccc2OCC[NH+](C)C)CCOCC1 ZINC000159398977 540009103 /nfs/dbraw/zinc/00/91/03/540009103.db2.gz CATKEYBEQBQHBD-UHFFFAOYSA-N 1 0 336.432 1.552 20 70 EDIDRO COc1cc(C)cc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000159667389 533634454 /nfs/dbraw/zinc/63/44/54/533634454.db2.gz SQMBVPKFDPWIHK-INIZCTEOSA-N 1 0 348.491 1.686 20 70 EDIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159708604 225263963 /nfs/dbraw/zinc/26/39/63/225263963.db2.gz UOMQDDFNZFEUIZ-KRWDZBQOSA-N 1 0 343.402 1.632 20 70 EDIDRO COCCC[N@H+](C)CCNC(=O)c1c(C)onc1-c1ccncc1 ZINC000160006107 225317830 /nfs/dbraw/zinc/31/78/30/225317830.db2.gz GJJYCZGOTOVVRP-UHFFFAOYSA-N 1 0 332.404 1.743 20 70 EDIDRO C[C@H]1C[C@H](NC(=O)N2CCN(C)C(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000160007224 225318091 /nfs/dbraw/zinc/31/80/91/225318091.db2.gz LKGCBFSJKCFYAY-HOCLYGCPSA-N 1 0 330.432 1.133 20 70 EDIDRO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000159605394 225248953 /nfs/dbraw/zinc/24/89/53/225248953.db2.gz AXHITWNGCOLFIQ-STQMWFEESA-N 1 0 337.855 1.659 20 70 EDIDRO COCC[NH+]1CCC(NC(=O)c2sc(COC)nc2C)CC1 ZINC000160300685 225383482 /nfs/dbraw/zinc/38/34/82/225383482.db2.gz HBACYPBZTYMERO-UHFFFAOYSA-N 1 0 327.450 1.439 20 70 EDIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000159410010 302917487 /nfs/dbraw/zinc/91/74/87/302917487.db2.gz URJUCBRXVOQZCO-KKUMJFAQSA-N 1 0 338.473 1.585 20 70 EDIDRO Cc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c[nH]c1=O ZINC000159568668 441821429 /nfs/dbraw/zinc/82/14/29/441821429.db2.gz ZYKXVQPQMVZVFH-MRXNPFEDSA-N 1 0 327.384 1.523 20 70 EDIDRO O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159458894 441814468 /nfs/dbraw/zinc/81/44/68/441814468.db2.gz TVHPYUFEKKYBHD-TUAOUCFPSA-N 1 0 349.353 1.503 20 70 EDIDRO O=C(NCCOC[C@@H]1CCCO1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160129004 441861133 /nfs/dbraw/zinc/86/11/33/441861133.db2.gz CNWUDTUNHOUCQY-IRXDYDNUSA-N 1 0 339.480 1.842 20 70 EDIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 ZINC000160267747 441870123 /nfs/dbraw/zinc/87/01/23/441870123.db2.gz NQXVTFGMAVIXLT-CQSZACIVSA-N 1 0 329.425 1.851 20 70 EDIDRO CC(C)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000159838568 441840966 /nfs/dbraw/zinc/84/09/66/441840966.db2.gz LLOPEIFTSZKIFM-HUUCEWRRSA-N 1 0 326.485 1.663 20 70 EDIDRO CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160803212 441922874 /nfs/dbraw/zinc/92/28/74/441922874.db2.gz ZUSYTVMNQIANID-GDBMZVCRSA-N 1 0 327.469 1.336 20 70 EDIDRO Cn1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(F)(F)F)n1 ZINC000160826683 441924759 /nfs/dbraw/zinc/92/47/59/441924759.db2.gz JACWWKSCKDFSSZ-NEPJUHHUSA-N 1 0 345.369 1.817 20 70 EDIDRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000160380534 441875360 /nfs/dbraw/zinc/87/53/60/441875360.db2.gz SYMABESYAIDSIR-SFHVURJKSA-N 1 0 331.460 1.825 20 70 EDIDRO Cc1nn(C)c2nc(C)cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c12 ZINC000160428457 441881940 /nfs/dbraw/zinc/88/19/40/441881940.db2.gz LPAPCZAJGGFOHP-AWEZNQCLSA-N 1 0 345.447 1.162 20 70 EDIDRO Cc1cc(Br)oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160519715 441891463 /nfs/dbraw/zinc/89/14/63/441891463.db2.gz IQUSELDZQBKSIU-NSHDSACASA-N 1 0 345.237 1.927 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000160534295 441893662 /nfs/dbraw/zinc/89/36/62/441893662.db2.gz ZCCQSCYVHFDGAN-LLVKDONJSA-N 1 0 332.322 1.827 20 70 EDIDRO Cc1csc(N2CCC([NH2+]CC(=O)NCC(F)(F)F)CC2)n1 ZINC000160538514 441894089 /nfs/dbraw/zinc/89/40/89/441894089.db2.gz GBHJRKITWSUGOR-UHFFFAOYSA-N 1 0 336.383 1.688 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1SC(F)F ZINC000160549812 441895194 /nfs/dbraw/zinc/89/51/94/441895194.db2.gz LSRYOLRMWHAEOC-NSHDSACASA-N 1 0 345.415 1.973 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000161220613 441973798 /nfs/dbraw/zinc/97/37/98/441973798.db2.gz MGHZXEKDWBBSKM-MRXNPFEDSA-N 1 0 344.390 1.887 20 70 EDIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC000160990706 441943819 /nfs/dbraw/zinc/94/38/19/441943819.db2.gz ACDCKOSWYBUBNR-UHFFFAOYSA-N 1 0 334.464 1.971 20 70 EDIDRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161176760 441967510 /nfs/dbraw/zinc/96/75/10/441967510.db2.gz LAKXFNMTMQSRLL-WCQYABFASA-N 1 0 334.464 1.834 20 70 EDIDRO Cc1noc(C)c1S(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161437339 441999461 /nfs/dbraw/zinc/99/94/61/441999461.db2.gz VWFMVBGZTIQPPG-LLVKDONJSA-N 1 0 345.465 1.005 20 70 EDIDRO C[C@@H](CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C[NH+]1CCCCC1 ZINC000159779978 534040812 /nfs/dbraw/zinc/04/08/12/534040812.db2.gz TWHONPCQFHNJPU-ZDUSSCGKSA-N 1 0 330.432 1.718 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000160374594 534538850 /nfs/dbraw/zinc/53/88/50/534538850.db2.gz BSRQIQHNHVPDRK-OAHLLOKOSA-N 1 0 331.416 1.148 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000160131248 534755488 /nfs/dbraw/zinc/75/54/88/534755488.db2.gz OEJFEKRDVFWGLT-AWEZNQCLSA-N 1 0 336.436 1.938 20 70 EDIDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000160356251 528227109 /nfs/dbraw/zinc/22/71/09/528227109.db2.gz QYSFRINGLPDFJW-KRWDZBQOSA-N 1 0 345.443 1.551 20 70 EDIDRO CCC(=O)N1CSC[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159638792 528389212 /nfs/dbraw/zinc/38/92/12/528389212.db2.gz BNQVQJZXALBCRR-AWEZNQCLSA-N 1 0 327.494 1.727 20 70 EDIDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000160166076 528612977 /nfs/dbraw/zinc/61/29/77/528612977.db2.gz PUJHQPDTMUEJJM-OAHLLOKOSA-N 1 0 328.434 1.500 20 70 EDIDRO CC[C@@H](C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)[NH+](C)C ZINC000159455677 529291605 /nfs/dbraw/zinc/29/16/05/529291605.db2.gz NAZLEGAFHQBXRP-KRWDZBQOSA-N 1 0 346.475 1.282 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000160806523 535887725 /nfs/dbraw/zinc/88/77/25/535887725.db2.gz SPJRZXNZQFDZQD-CQSZACIVSA-N 1 0 348.447 1.818 20 70 EDIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC000160100077 529980387 /nfs/dbraw/zinc/98/03/87/529980387.db2.gz WPENJESTQSRVNV-LLVKDONJSA-N 1 0 325.434 1.230 20 70 EDIDRO C[C@H]1C[C@@H](NC(=O)N2CCC3(C2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000160324855 291072511 /nfs/dbraw/zinc/07/25/11/291072511.db2.gz ZQQHXNSCUKDAQK-DOTOQJQBSA-N 1 0 345.443 1.808 20 70 EDIDRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159679669 533207715 /nfs/dbraw/zinc/20/77/15/533207715.db2.gz PTWSTTASHGLCBT-VNHYZAJKSA-N 1 0 334.416 1.713 20 70 EDIDRO C[C@@H](C(=O)NC(C)(C)CCS(C)(=O)=O)[C@@H]([NH3+])c1ccccc1 ZINC000161035591 286768849 /nfs/dbraw/zinc/76/88/49/286768849.db2.gz JSBXIQYDEDBYDO-TZMCWYRMSA-N 1 0 326.462 1.652 20 70 EDIDRO C[C@H](Oc1cccnc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160377474 225399614 /nfs/dbraw/zinc/39/96/14/225399614.db2.gz SHXRLWFVPKMBKG-WBAXXEDZSA-N 1 0 347.459 1.733 20 70 EDIDRO COCCN(CCOC)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160205215 225359607 /nfs/dbraw/zinc/35/96/07/225359607.db2.gz TZKIZXIPOHOMLD-WMZOPIPTSA-N 1 0 349.475 1.954 20 70 EDIDRO CN(CCc1ccncc1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160217737 225362992 /nfs/dbraw/zinc/36/29/92/225362992.db2.gz SQTDZHPVHJZSQO-LJQANCHMSA-N 1 0 340.471 1.975 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000160886519 225496903 /nfs/dbraw/zinc/49/69/03/225496903.db2.gz NXRSGRFTULUQDG-UHFFFAOYSA-N 1 0 330.432 1.663 20 70 EDIDRO Cc1cc(F)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1F ZINC000161406826 267509902 /nfs/dbraw/zinc/50/99/02/267509902.db2.gz CAFKNQPNNDROMN-UHFFFAOYSA-N 1 0 348.415 1.256 20 70 EDIDRO CC(C)([NH3+])CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000160048825 277307882 /nfs/dbraw/zinc/30/78/82/277307882.db2.gz QZFPLLZLWMIRJA-GFCCVEGCSA-N 1 0 341.864 1.709 20 70 EDIDRO C[N@@H+]1CCN(CCN2C(=O)NC(C)(C)C2=O)[C@@H](c2ccccc2)C1 ZINC000161330692 290041748 /nfs/dbraw/zinc/04/17/48/290041748.db2.gz BYJIFVDPYOGYDQ-OAHLLOKOSA-N 1 0 330.432 1.306 20 70 EDIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000159483226 290079121 /nfs/dbraw/zinc/07/91/21/290079121.db2.gz OZCZNBUEYINXRN-JSZKLUIVSA-N 1 0 337.464 1.482 20 70 EDIDRO CC[NH+]1CCN(CC(=O)Nc2ccccc2-n2ccc(C)n2)CC1 ZINC000161361066 302926024 /nfs/dbraw/zinc/92/60/24/302926024.db2.gz JUYVPWYSWDJTAV-UHFFFAOYSA-N 1 0 327.432 1.757 20 70 EDIDRO COc1cccc(N2CCC[C@@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2=O)c1 ZINC000159523768 441818170 /nfs/dbraw/zinc/81/81/70/441818170.db2.gz RQGYBWZLCDDMJS-XJKSGUPXSA-N 1 0 331.416 1.449 20 70 EDIDRO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c(=O)n(-c2ccccc2)n1C ZINC000159427952 441810878 /nfs/dbraw/zinc/81/08/78/441810878.db2.gz JGOJRRQCPHKLSA-OCCSQVGLSA-N 1 0 346.431 1.124 20 70 EDIDRO CC(C)CCS(=O)(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000160115205 441860126 /nfs/dbraw/zinc/86/01/26/441860126.db2.gz LYRYDYJTVXUWQJ-OAHLLOKOSA-N 1 0 344.477 1.776 20 70 EDIDRO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000160203128 441865350 /nfs/dbraw/zinc/86/53/50/441865350.db2.gz VPEWMNRBHQOORX-NDMJEZRESA-N 1 0 327.222 1.990 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2(CO)CCOCC2)C1 ZINC000159603091 441824119 /nfs/dbraw/zinc/82/41/19/441824119.db2.gz UETSZVDQJPECTJ-OAHLLOKOSA-N 1 0 327.469 1.053 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2(CO)CCOCC2)C1 ZINC000159603232 441824700 /nfs/dbraw/zinc/82/47/00/441824700.db2.gz UETSZVDQJPECTJ-HNNXBMFYSA-N 1 0 327.469 1.053 20 70 EDIDRO CCNC(=O)NC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCCC1 ZINC000159759537 441835363 /nfs/dbraw/zinc/83/53/63/441835363.db2.gz PSTHXPMYGQEDJR-UHFFFAOYSA-N 1 0 336.480 1.609 20 70 EDIDRO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160641771 441904398 /nfs/dbraw/zinc/90/43/98/441904398.db2.gz OTPRUZFWUHGRNI-WBVHZDCISA-N 1 0 343.475 1.534 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1CC ZINC000160421640 441880218 /nfs/dbraw/zinc/88/02/18/441880218.db2.gz ORVAMCXCUANLDG-CYBMUJFWSA-N 1 0 349.479 1.520 20 70 EDIDRO C[NH2+]C[C@H](C)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000160433167 441881553 /nfs/dbraw/zinc/88/15/53/441881553.db2.gz POKJNWQXHHQNFG-CABZTGNLSA-N 1 0 328.796 1.116 20 70 EDIDRO NC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160465199 441885659 /nfs/dbraw/zinc/88/56/59/441885659.db2.gz QYGUPEZYQNMJQW-CZUORRHYSA-N 1 0 333.407 1.909 20 70 EDIDRO CCOC(=O)C[C@@H](C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160528520 441893139 /nfs/dbraw/zinc/89/31/39/441893139.db2.gz PICLWOXNDLOFIT-MRXNPFEDSA-N 1 0 347.459 1.657 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000160552427 441896357 /nfs/dbraw/zinc/89/63/57/441896357.db2.gz CTLLHXDSFGBURU-UHFFFAOYSA-N 1 0 345.443 1.248 20 70 EDIDRO Cn1cc(N2CCC[C@H](N3CCC([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160595579 441899262 /nfs/dbraw/zinc/89/92/62/441899262.db2.gz FTCDRTABILVNBX-KRWDZBQOSA-N 1 0 331.464 1.476 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000161220490 441973784 /nfs/dbraw/zinc/97/37/84/441973784.db2.gz MGHZXEKDWBBSKM-INIZCTEOSA-N 1 0 344.390 1.887 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCNC(=O)/C=C/c2ccco2)CC1 ZINC000161119885 441959114 /nfs/dbraw/zinc/95/91/14/441959114.db2.gz IIZJUJVNIWNJNQ-AATRIKPKSA-N 1 0 333.432 1.647 20 70 EDIDRO Cc1ccc(F)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000161409264 441996719 /nfs/dbraw/zinc/99/67/19/441996719.db2.gz SMCAGGHBEWSDIJ-UHFFFAOYSA-N 1 0 330.425 1.117 20 70 EDIDRO CC(=O)N[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000161314407 441984649 /nfs/dbraw/zinc/98/46/49/441984649.db2.gz FVYVKRLGCYGAKT-BLLLJJGKSA-N 1 0 339.386 1.600 20 70 EDIDRO Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000161343217 441988418 /nfs/dbraw/zinc/98/84/18/441988418.db2.gz BFDLHMCIZQMSBU-AWEZNQCLSA-N 1 0 325.434 1.358 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000161442854 486644336 /nfs/dbraw/zinc/64/43/36/486644336.db2.gz WMSNFBYVXIDQJA-GHMZBOCLSA-N 1 0 336.823 1.869 20 70 EDIDRO CSC[C@](C)(O)CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000159587407 533824028 /nfs/dbraw/zinc/82/40/28/533824028.db2.gz HOUGQMRQWVVXML-WMLDXEAASA-N 1 0 339.505 1.920 20 70 EDIDRO C[C@@H](O)[C@H]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000159992392 533839821 /nfs/dbraw/zinc/83/98/21/533839821.db2.gz MMVVYMDSZSICJI-MVJTYMMSSA-N 1 0 331.460 1.919 20 70 EDIDRO COc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159815395 534031788 /nfs/dbraw/zinc/03/17/88/534031788.db2.gz DQHKQEUEKFKQDW-UHFFFAOYSA-N 1 0 331.416 1.624 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000159925772 534538229 /nfs/dbraw/zinc/53/82/29/534538229.db2.gz XNFJCKCQUPRREF-GFCCVEGCSA-N 1 0 331.338 1.677 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1sccc1OC(F)F ZINC000160082683 534625478 /nfs/dbraw/zinc/62/54/78/534625478.db2.gz HEIGYAMKXBQYDU-JTQLQIEISA-N 1 0 334.388 1.926 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000159782679 528024419 /nfs/dbraw/zinc/02/44/19/528024419.db2.gz PUWXKLIPMVLTAZ-GDBMZVCRSA-N 1 0 336.480 1.417 20 70 EDIDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COC1CCOCC1 ZINC000159920656 528917051 /nfs/dbraw/zinc/91/70/51/528917051.db2.gz MOYVVCAKANDCIC-AWEZNQCLSA-N 1 0 328.478 1.953 20 70 EDIDRO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC[NH3+] ZINC000159981710 529218058 /nfs/dbraw/zinc/21/80/58/529218058.db2.gz SABAYEZVKZERTK-SMDDNHRTSA-N 1 0 325.840 1.950 20 70 EDIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000160146372 529690034 /nfs/dbraw/zinc/69/00/34/529690034.db2.gz XVCLHYONCKZZJF-KBPBESRZSA-N 1 0 327.494 1.976 20 70 EDIDRO CN(C)c1cccc(C[N@H+](C)CCCN2C(=O)NC(C)(C)C2=O)c1 ZINC000159769543 529789034 /nfs/dbraw/zinc/78/90/34/529789034.db2.gz QKUGCHSKCSLOMQ-UHFFFAOYSA-N 1 0 332.448 1.905 20 70 EDIDRO CNS(=O)(=O)c1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)co1 ZINC000159710382 530025324 /nfs/dbraw/zinc/02/53/24/530025324.db2.gz GZSVOOVTGZOHKM-GFCCVEGCSA-N 1 0 343.449 1.182 20 70 EDIDRO CC[C@H](O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1 ZINC000216955645 139020560 /nfs/dbraw/zinc/02/05/60/139020560.db2.gz XKJVHUDIWDHJBL-LBPRGKRZSA-N 1 0 345.365 1.938 20 70 EDIDRO COc1ccc(C(C)=O)cc1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159978851 533367908 /nfs/dbraw/zinc/36/79/08/533367908.db2.gz YSPULXSPSHKFIK-QGZVFWFLSA-N 1 0 348.443 1.403 20 70 EDIDRO CS(=O)(=O)CC1(CC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000159682040 286588635 /nfs/dbraw/zinc/58/86/35/286588635.db2.gz BRAKCSGDIAHTLB-UHFFFAOYSA-N 1 0 330.494 1.630 20 70 EDIDRO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159470979 225223411 /nfs/dbraw/zinc/22/34/11/225223411.db2.gz QXNCZRUAPMBVJD-UGUYLWEFSA-N 1 0 348.443 1.424 20 70 EDIDRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160311020 225385940 /nfs/dbraw/zinc/38/59/40/225385940.db2.gz PCFODGDSVSXZKW-SNVBAGLBSA-N 1 0 345.852 1.154 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000160342354 225392738 /nfs/dbraw/zinc/39/27/38/225392738.db2.gz GNQADEDMOWPXKH-UHFFFAOYSA-N 1 0 335.448 1.523 20 70 EDIDRO C[C@H](CNS(=O)(=O)Cc1cccc(F)c1)CN1CCOCC1 ZINC000160363431 225396000 /nfs/dbraw/zinc/39/60/00/225396000.db2.gz BUTLEYYCQKFXPB-CYBMUJFWSA-N 1 0 330.425 1.213 20 70 EDIDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000160215905 225364550 /nfs/dbraw/zinc/36/45/50/225364550.db2.gz OEJCBWQHVDINKD-LLVKDONJSA-N 1 0 332.372 1.175 20 70 EDIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161127934 279989371 /nfs/dbraw/zinc/98/93/71/279989371.db2.gz YQWNXNZQAIERES-GJZGRUSLSA-N 1 0 332.452 1.253 20 70 EDIDRO CN(C)c1ccccc1C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159373891 441808065 /nfs/dbraw/zinc/80/80/65/441808065.db2.gz YGZFWRJTLZDRMP-SFHVURJKSA-N 1 0 330.476 1.667 20 70 EDIDRO O=C(Cc1csc(N2CCCC2=O)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160195004 441864677 /nfs/dbraw/zinc/86/46/77/441864677.db2.gz FXEZDOALXUYTNT-TXEJJXNPSA-N 1 0 334.445 1.165 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000160266150 441869605 /nfs/dbraw/zinc/86/96/05/441869605.db2.gz MOXZEYRCXYIYGM-ZDUSSCGKSA-N 1 0 339.461 1.247 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159636839 441826495 /nfs/dbraw/zinc/82/64/95/441826495.db2.gz NIPCTOGDAUOAKZ-UHFFFAOYSA-N 1 0 341.496 1.803 20 70 EDIDRO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160338423 441873290 /nfs/dbraw/zinc/87/32/90/441873290.db2.gz KKUSTNMSLAWJHQ-INIZCTEOSA-N 1 0 325.497 1.678 20 70 EDIDRO Cc1c(CCC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000160002253 441854810 /nfs/dbraw/zinc/85/48/10/441854810.db2.gz CRLMQJRQQUSLBE-RVKKMQEKSA-N 1 0 348.491 1.761 20 70 EDIDRO CC(C)([NH3+])CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000160062703 441857012 /nfs/dbraw/zinc/85/70/12/441857012.db2.gz CJWJIIQNIIKDLP-OAHLLOKOSA-N 1 0 341.411 1.700 20 70 EDIDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160613299 441901509 /nfs/dbraw/zinc/90/15/09/441901509.db2.gz OWUJPIVUCLLZEE-OCCSQVGLSA-N 1 0 344.381 1.560 20 70 EDIDRO CC(=O)c1cccc(O[C@H](C)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160669711 441906696 /nfs/dbraw/zinc/90/66/96/441906696.db2.gz GJBYYQVGDDCIPI-OAHLLOKOSA-N 1 0 348.443 1.477 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000160678331 441908351 /nfs/dbraw/zinc/90/83/51/441908351.db2.gz LOXQMJGTFZOULS-CYBMUJFWSA-N 1 0 333.457 1.726 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cnn(-c2ccccc2)c1 ZINC000160671092 441908477 /nfs/dbraw/zinc/90/84/77/441908477.db2.gz FSGKLACTYIKSJJ-UHFFFAOYSA-N 1 0 328.416 1.306 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(N2CCCC2=O)CC1 ZINC000160834610 441926841 /nfs/dbraw/zinc/92/68/41/441926841.db2.gz FLEFOXRQBCUFDO-OAHLLOKOSA-N 1 0 348.491 1.800 20 70 EDIDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000160380593 441875578 /nfs/dbraw/zinc/87/55/78/441875578.db2.gz WRXFUWDLIAGXLS-WBVHZDCISA-N 1 0 325.416 1.824 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C1 ZINC000160537076 441894122 /nfs/dbraw/zinc/89/41/22/441894122.db2.gz IOAAIKKQWIUNKA-LLVKDONJSA-N 1 0 339.321 1.720 20 70 EDIDRO CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]C)CC1=O ZINC000161271598 441979666 /nfs/dbraw/zinc/97/96/66/441979666.db2.gz FFIJDRQAWBJFIC-CVEARBPZSA-N 1 0 329.444 1.812 20 70 EDIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160896614 441933417 /nfs/dbraw/zinc/93/34/17/441933417.db2.gz FEZJQBRKQRWQFY-PWSUYJOCSA-N 1 0 347.385 1.921 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000161158975 441965313 /nfs/dbraw/zinc/96/53/13/441965313.db2.gz MHGAPCXNVPQYOU-AEFFLSMTSA-N 1 0 329.444 1.733 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000161170681 441965846 /nfs/dbraw/zinc/96/58/46/441965846.db2.gz KRTIBYACHFZZRK-HZPDHXFCSA-N 1 0 330.432 1.144 20 70 EDIDRO C([NH2+]C1CCC2(CC1)OCCO2)[C@]1(N2CCOCC2)CCSC1 ZINC000161374609 441992811 /nfs/dbraw/zinc/99/28/11/441992811.db2.gz NFGABPFCMXADIN-MRXNPFEDSA-N 1 0 342.505 1.470 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161303338 441983033 /nfs/dbraw/zinc/98/30/33/441983033.db2.gz HCIMNUDIPVYRLD-DZGCQCFKSA-N 1 0 347.484 1.972 20 70 EDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000161476442 442003128 /nfs/dbraw/zinc/00/31/28/442003128.db2.gz UAOLPQHIXNNDDH-SNVBAGLBSA-N 1 0 347.289 1.646 20 70 EDIDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000160803799 486155184 /nfs/dbraw/zinc/15/51/84/486155184.db2.gz HTUWIUFPVKSIOF-CABZTGNLSA-N 1 0 338.351 1.442 20 70 EDIDRO CS(=O)(=O)c1ccc(OCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161073266 486642366 /nfs/dbraw/zinc/64/23/66/486642366.db2.gz VVODQUMUMPPWOM-QWHCGFSZSA-N 1 0 340.445 1.245 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000161238518 486643628 /nfs/dbraw/zinc/64/36/28/486643628.db2.gz OXVLEKJFCDBVHX-QZTJIDSGSA-N 1 0 330.476 1.190 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000159779148 528027966 /nfs/dbraw/zinc/02/79/66/528027966.db2.gz APBAUFZNOCUEHQ-OAHLLOKOSA-N 1 0 327.432 1.975 20 70 EDIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878943 528170343 /nfs/dbraw/zinc/17/03/43/528170343.db2.gz HATOFCJDKLQWPA-NEPJUHHUSA-N 1 0 330.392 1.152 20 70 EDIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000160061966 528258160 /nfs/dbraw/zinc/25/81/60/528258160.db2.gz QNYDUYNSDDBRSL-CQSZACIVSA-N 1 0 332.439 1.701 20 70 EDIDRO CCOCc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159791373 529035834 /nfs/dbraw/zinc/03/58/34/529035834.db2.gz QZKRBFNBPKBWRG-MSOLQXFVSA-N 1 0 334.460 1.932 20 70 EDIDRO CC(C)[N@H+]1C[C@H](NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)[C@@H](C)C1 ZINC000161249324 529100436 /nfs/dbraw/zinc/10/04/36/529100436.db2.gz MDZBUUAHXQLCNU-YOFDASAYSA-N 1 0 345.443 1.409 20 70 EDIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CC)COC)[C@@H](C)C1 ZINC000160151696 535517438 /nfs/dbraw/zinc/51/74/38/535517438.db2.gz WAMMLWHAWDXNKX-ARFHVFGLSA-N 1 0 329.485 1.848 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000159998613 539483255 /nfs/dbraw/zinc/48/32/55/539483255.db2.gz SIIRVFYXXSVMJL-MRXNPFEDSA-N 1 0 336.480 1.515 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000160191403 283988145 /nfs/dbraw/zinc/98/81/45/283988145.db2.gz SAIFDFCYLDBEAW-INIZCTEOSA-N 1 0 346.406 1.588 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1 ZINC000160643400 532970089 /nfs/dbraw/zinc/97/00/89/532970089.db2.gz XSLKSAWCXVVSFK-GFCCVEGCSA-N 1 0 330.363 1.114 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159800951 225279235 /nfs/dbraw/zinc/27/92/35/225279235.db2.gz FLPBACCGNYEHJF-UHFFFAOYSA-N 1 0 336.436 1.478 20 70 EDIDRO Cc1ccc(C(=O)NCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000159573522 225241493 /nfs/dbraw/zinc/24/14/93/225241493.db2.gz SXKSGTBOWOZOOR-QGZVFWFLSA-N 1 0 346.475 1.706 20 70 EDIDRO Cc1ccc(-n2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)nn2)cc1 ZINC000160096769 225336606 /nfs/dbraw/zinc/33/66/06/225336606.db2.gz XGMZWDGBXQPDJQ-MRXNPFEDSA-N 1 0 343.431 1.152 20 70 EDIDRO Cc1ccccc1-n1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000160204256 225359745 /nfs/dbraw/zinc/35/97/45/225359745.db2.gz IMHBZRHCBLTEBL-KRWDZBQOSA-N 1 0 342.443 1.757 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000161288384 272930662 /nfs/dbraw/zinc/93/06/62/272930662.db2.gz SLYJQQRVAPZKGW-ZDUSSCGKSA-N 1 0 335.473 1.567 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000161366426 277284772 /nfs/dbraw/zinc/28/47/72/277284772.db2.gz SKVIQXMXALOLNY-UONOGXRCSA-N 1 0 331.416 1.259 20 70 EDIDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CC[NH2+]CC1)CC2 ZINC000159456948 279110549 /nfs/dbraw/zinc/11/05/49/279110549.db2.gz IISHFSJNOHUGKH-JTQLQIEISA-N 1 0 328.338 1.341 20 70 EDIDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000159366671 441806874 /nfs/dbraw/zinc/80/68/74/441806874.db2.gz JXNFERZFSJVFLE-OSPHWJPCSA-N 1 0 349.500 1.208 20 70 EDIDRO CCC(=O)N[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160141519 441861003 /nfs/dbraw/zinc/86/10/03/441861003.db2.gz GHLXVTWLFRQQTC-WMZOPIPTSA-N 1 0 347.459 1.217 20 70 EDIDRO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000159643730 441826207 /nfs/dbraw/zinc/82/62/07/441826207.db2.gz QLJDBKVDKAHBPT-LSDHHAIUSA-N 1 0 333.436 1.622 20 70 EDIDRO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159695243 441830692 /nfs/dbraw/zinc/83/06/92/441830692.db2.gz DSTLEGGAAYEHKR-MJBXVCDLSA-N 1 0 339.505 1.677 20 70 EDIDRO O=C(COc1cccc(NC(=O)C2CC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159738278 441833180 /nfs/dbraw/zinc/83/31/80/441833180.db2.gz SRGJKOWDSMCKEE-IYBDPMFKSA-N 1 0 343.427 1.767 20 70 EDIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C1(NC(N)=O)CC1 ZINC000160751747 441916864 /nfs/dbraw/zinc/91/68/64/441916864.db2.gz WKXCISJVYBXJJK-UHFFFAOYSA-N 1 0 334.420 1.547 20 70 EDIDRO Cc1cc(C)n(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000160761259 441918344 /nfs/dbraw/zinc/91/83/44/441918344.db2.gz GRAJMCLRAQMLFH-DLBZAZTESA-N 1 0 334.464 1.384 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000160545388 441894844 /nfs/dbraw/zinc/89/48/44/441894844.db2.gz OSZLRHUNUZRPPG-UHFFFAOYSA-N 1 0 328.416 1.539 20 70 EDIDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160879476 441931314 /nfs/dbraw/zinc/93/13/14/441931314.db2.gz DDQXCQDFFJSYIX-NSHDSACASA-N 1 0 347.385 1.922 20 70 EDIDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cn1 ZINC000161025303 441947626 /nfs/dbraw/zinc/94/76/26/441947626.db2.gz MBFUQEHSQAUIKN-CYBMUJFWSA-N 1 0 343.431 1.530 20 70 EDIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(CCOC)CCC1 ZINC000161097801 441956848 /nfs/dbraw/zinc/95/68/48/441956848.db2.gz KHNGNBQAZHLASL-HNNXBMFYSA-N 1 0 327.469 1.603 20 70 EDIDRO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1cccc(OCC(=O)NC)c1 ZINC000161425654 441999519 /nfs/dbraw/zinc/99/95/19/441999519.db2.gz RWVCPCFDLFRPGN-AWEZNQCLSA-N 1 0 335.448 1.200 20 70 EDIDRO COc1ccc(-c2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000161266717 441979895 /nfs/dbraw/zinc/97/98/95/441979895.db2.gz UYJSIPJEQVSBFY-SFHVURJKSA-N 1 0 326.396 1.967 20 70 EDIDRO CN(C(=O)Cn1ccc(=O)c2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161305538 441983797 /nfs/dbraw/zinc/98/37/97/441983797.db2.gz WKWFASTWHBYBSR-YIONKMFJSA-N 1 0 325.412 1.743 20 70 EDIDRO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000216729837 485631355 /nfs/dbraw/zinc/63/13/55/485631355.db2.gz JMDQQYNATSRUGY-MPTYRVRUSA-N 1 0 325.497 1.719 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000160034017 534756722 /nfs/dbraw/zinc/75/67/22/534756722.db2.gz ATMXWESWBDMSKU-ZDUSSCGKSA-N 1 0 334.351 1.480 20 70 EDIDRO CC(C)([NH3+])CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000160017414 527245449 /nfs/dbraw/zinc/24/54/49/527245449.db2.gz AJUPPNWDIKVROF-UHFFFAOYSA-N 1 0 333.413 1.202 20 70 EDIDRO CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC000160382585 528455430 /nfs/dbraw/zinc/45/54/30/528455430.db2.gz LUUKLCKLTVMIDO-MRXNPFEDSA-N 1 0 338.496 1.761 20 70 EDIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CC)COC)[C@@H](C)C1 ZINC000160151967 528666564 /nfs/dbraw/zinc/66/65/64/528666564.db2.gz WAMMLWHAWDXNKX-XHSDSOJGSA-N 1 0 329.485 1.848 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC1 ZINC000159962543 529027697 /nfs/dbraw/zinc/02/76/97/529027697.db2.gz HVFRWKLKXGBNRM-UHFFFAOYSA-N 1 0 328.416 1.765 20 70 EDIDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000159496130 530056401 /nfs/dbraw/zinc/05/64/01/530056401.db2.gz IRHWVIQHXKSBGG-OLZOCXBDSA-N 1 0 340.807 1.355 20 70 EDIDRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCC[NH+](CC)CC)CC2 ZINC000161169938 138642429 /nfs/dbraw/zinc/64/24/29/138642429.db2.gz XEHPIRDANFBEJH-HOTGVXAUSA-N 1 0 341.496 1.680 20 70 EDIDRO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160398323 533043216 /nfs/dbraw/zinc/04/32/16/533043216.db2.gz HVCAEZWWIDMFEW-SFHVURJKSA-N 1 0 333.476 1.386 20 70 EDIDRO COC(=O)C1(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CCCCC1 ZINC000159543585 533232770 /nfs/dbraw/zinc/23/27/70/533232770.db2.gz QYWWCJILFVXCQL-KBPBESRZSA-N 1 0 326.437 1.071 20 70 EDIDRO NC(=O)c1ccc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159815803 225283159 /nfs/dbraw/zinc/28/31/59/225283159.db2.gz UBJPTRLOWPKGRJ-VMPITWQZSA-N 1 0 327.428 1.789 20 70 EDIDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCO2 ZINC000160340344 225390695 /nfs/dbraw/zinc/39/06/95/225390695.db2.gz GHTIWHXERKEINC-HOTGVXAUSA-N 1 0 346.427 1.913 20 70 EDIDRO [NH3+][C@@H]1CCN(C(=O)Cc2cccc(I)c2)C1 ZINC000160217697 225363499 /nfs/dbraw/zinc/36/34/99/225363499.db2.gz WBHXTEYDSMHROI-LLVKDONJSA-N 1 0 330.169 1.393 20 70 EDIDRO C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160416295 272929600 /nfs/dbraw/zinc/92/96/00/272929600.db2.gz NTXRVSZNJVKLLZ-GOEBONIOSA-N 1 0 339.480 1.034 20 70 EDIDRO Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000161449411 301177545 /nfs/dbraw/zinc/17/75/45/301177545.db2.gz CBFDISXMVWCPEE-MRXNPFEDSA-N 1 0 328.478 1.511 20 70 EDIDRO COc1ccccc1SCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160006750 302919511 /nfs/dbraw/zinc/91/95/11/302919511.db2.gz ZDRDSNQFTSGIRX-UHFFFAOYSA-N 1 0 338.473 1.608 20 70 EDIDRO CCOC(=O)N1CCC(NC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159506489 441818089 /nfs/dbraw/zinc/81/80/89/441818089.db2.gz PEVVJXDQJGTUHC-UHFFFAOYSA-N 1 0 326.441 1.345 20 70 EDIDRO CCc1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)[nH]c(C)c1C(N)=O ZINC000159536121 441819271 /nfs/dbraw/zinc/81/92/71/441819271.db2.gz AFGZKTJGUZVNQV-UHFFFAOYSA-N 1 0 334.464 1.979 20 70 EDIDRO C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000160143199 441862018 /nfs/dbraw/zinc/86/20/18/441862018.db2.gz CTWPSKHGYVHZMB-HOTGVXAUSA-N 1 0 329.510 1.913 20 70 EDIDRO Cc1nnc(-c2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2)o1 ZINC000160205826 441864995 /nfs/dbraw/zinc/86/49/95/441864995.db2.gz NCGMDXKSEVZREW-INIZCTEOSA-N 1 0 344.415 1.622 20 70 EDIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160264581 441869493 /nfs/dbraw/zinc/86/94/93/441869493.db2.gz QEQFBFSAIHWBPD-FZMZJTMJSA-N 1 0 332.491 1.823 20 70 EDIDRO C[C@H]1C[C@@H](NC(=O)N2CCNC(=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160263891 441869765 /nfs/dbraw/zinc/86/97/65/441869765.db2.gz SOSZAJSHOYAURI-GOEBONIOSA-N 1 0 330.432 1.181 20 70 EDIDRO Cc1nc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(=O)[nH]c1C ZINC000159631071 441825578 /nfs/dbraw/zinc/82/55/78/441825578.db2.gz MZXQWMKJCZZNSF-UHFFFAOYSA-N 1 0 332.379 1.517 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)CC1CC1 ZINC000159922870 441848035 /nfs/dbraw/zinc/84/80/35/441848035.db2.gz QAUBAGLAKUCUBL-YJBOKZPZSA-N 1 0 331.460 1.921 20 70 EDIDRO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000159954562 441849337 /nfs/dbraw/zinc/84/93/37/441849337.db2.gz LHZXLCNWKDYKNN-CHWSQXEVSA-N 1 0 341.477 1.736 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000159970976 441851719 /nfs/dbraw/zinc/85/17/19/441851719.db2.gz WETNVKKXWIDZFG-UKRRQHHQSA-N 1 0 331.416 1.075 20 70 EDIDRO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160622854 441902964 /nfs/dbraw/zinc/90/29/64/441902964.db2.gz SOQXQJCSXAVTHU-WBAXXEDZSA-N 1 0 343.471 1.806 20 70 EDIDRO O=C(Cc1ccc2c(c1)CCCC2)NCC1CC[NH+](CCO)CC1 ZINC000160678332 441908291 /nfs/dbraw/zinc/90/82/91/441908291.db2.gz OAIQXJXDZUFSKY-UHFFFAOYSA-N 1 0 330.472 1.928 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC000160384630 441875241 /nfs/dbraw/zinc/87/52/41/441875241.db2.gz AAHRDZVAHOGGMF-OAHLLOKOSA-N 1 0 333.432 1.401 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)o1 ZINC000160406094 441878835 /nfs/dbraw/zinc/87/88/35/441878835.db2.gz NMIDHAVGHAJGGG-JTQLQIEISA-N 1 0 331.210 1.619 20 70 EDIDRO C[C@H]1C[C@@H](NC(=O)NC[C@]2(O)CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000160409870 441879631 /nfs/dbraw/zinc/87/96/31/441879631.db2.gz ZBHXUCIYSPFGTQ-YXJHDRRASA-N 1 0 349.500 1.817 20 70 EDIDRO Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)c12 ZINC000160428585 441881445 /nfs/dbraw/zinc/88/14/45/441881445.db2.gz LPAPCZAJGGFOHP-CQSZACIVSA-N 1 0 345.447 1.162 20 70 EDIDRO O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000160432117 441881783 /nfs/dbraw/zinc/88/17/83/441881783.db2.gz DKLLHZCUQUATIV-QWHCGFSZSA-N 1 0 340.807 1.403 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160555348 441896723 /nfs/dbraw/zinc/89/67/23/441896723.db2.gz NVSSKMCVBXBCDK-RISCZKNCSA-N 1 0 349.460 1.160 20 70 EDIDRO CC(C)c1noc(CCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000161186027 441968989 /nfs/dbraw/zinc/96/89/89/441968989.db2.gz FIAIOZYIVJFWDZ-CYBMUJFWSA-N 1 0 335.452 1.909 20 70 EDIDRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000161252425 441977437 /nfs/dbraw/zinc/97/74/37/441977437.db2.gz VOJUMTPOPOZKDP-RBUKOAKNSA-N 1 0 346.471 1.924 20 70 EDIDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(NC(N)=O)CC2)CC1 ZINC000160869930 441929929 /nfs/dbraw/zinc/92/99/29/441929929.db2.gz QXCLVNKEELYUJC-UHFFFAOYSA-N 1 0 330.432 1.277 20 70 EDIDRO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000161033959 441948643 /nfs/dbraw/zinc/94/86/43/441948643.db2.gz MOOIWLKDAQYSGP-DLBZAZTESA-N 1 0 331.460 1.972 20 70 EDIDRO COC(=O)C(C)(C)c1ccc(NC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000161043308 441949640 /nfs/dbraw/zinc/94/96/40/441949640.db2.gz CKSYKQSVOYBVSP-UHFFFAOYSA-N 1 0 334.416 1.844 20 70 EDIDRO CCNc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cs1 ZINC000161391367 441994730 /nfs/dbraw/zinc/99/47/30/441994730.db2.gz ZZLUOUNYNIBXPJ-UHFFFAOYSA-N 1 0 346.460 1.974 20 70 EDIDRO CN(C(=O)CCn1c2ccccc2n(C)c1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161357471 441989925 /nfs/dbraw/zinc/98/99/25/441989925.db2.gz YWPQXLAFCMJJKP-YIONKMFJSA-N 1 0 342.443 1.472 20 70 EDIDRO NC(=O)c1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000159562471 318419081 /nfs/dbraw/zinc/41/90/81/318419081.db2.gz UBVNUQQYVRQAOO-QGZVFWFLSA-N 1 0 345.443 1.503 20 70 EDIDRO [NH3+]C1(C(=O)Nc2cc(C3CCOCC3)[nH]n2)Cc2ccccc2C1 ZINC000161329853 486643985 /nfs/dbraw/zinc/64/39/85/486643985.db2.gz NDGAEXMUNAPUOP-UHFFFAOYSA-N 1 0 326.400 1.739 20 70 EDIDRO O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000161490469 534540492 /nfs/dbraw/zinc/54/04/92/534540492.db2.gz OBWMZYNTXNNJGH-ZWNOBZJWSA-N 1 0 340.807 1.260 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000159942720 534754815 /nfs/dbraw/zinc/75/48/15/534754815.db2.gz KYOQMUGYLGBMTG-UHFFFAOYSA-N 1 0 342.399 1.702 20 70 EDIDRO CC(C)([NH3+])CNC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000160029576 527255321 /nfs/dbraw/zinc/25/53/21/527255321.db2.gz CMFFQYBKLUBBOE-UHFFFAOYSA-N 1 0 345.300 1.892 20 70 EDIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000160128766 527812580 /nfs/dbraw/zinc/81/25/80/527812580.db2.gz SPQWRDHFHDLNNQ-CYBMUJFWSA-N 1 0 339.461 1.022 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000159413108 528020405 /nfs/dbraw/zinc/02/04/05/528020405.db2.gz LANBYZHIHVDMJS-LBPRGKRZSA-N 1 0 339.386 1.997 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000161014459 528280945 /nfs/dbraw/zinc/28/09/45/528280945.db2.gz GTDKEAAMRUZMAJ-UHFFFAOYSA-N 1 0 343.431 1.030 20 70 EDIDRO CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000159975079 528320242 /nfs/dbraw/zinc/32/02/42/528320242.db2.gz WAAJQJILMRANPB-GFCCVEGCSA-N 1 0 347.419 1.366 20 70 EDIDRO CC[C@@H](C(=O)N1CCN(Cc2cn3ccccc3n2)CC1)[NH+](C)C ZINC000160030230 529277778 /nfs/dbraw/zinc/27/77/78/529277778.db2.gz XFUCFZAKLPVODH-INIZCTEOSA-N 1 0 329.448 1.319 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)C1 ZINC000160808328 290815131 /nfs/dbraw/zinc/81/51/31/290815131.db2.gz WIJOCNSUMOGSEL-QGPMSJSTSA-N 1 0 345.443 1.425 20 70 EDIDRO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160816654 540027055 /nfs/dbraw/zinc/02/70/55/540027055.db2.gz OCVKBNDRRYUNLS-KBMXLJTQSA-N 1 0 348.443 1.376 20 70 EDIDRO Cc1csc2nc(CN3CCN(c4cc[nH+]cc4)CC3)cc(=O)n12 ZINC000161345301 540033412 /nfs/dbraw/zinc/03/34/12/540033412.db2.gz NMYOEKHMRUINTJ-UHFFFAOYSA-N 1 0 341.440 1.782 20 70 EDIDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000159361624 138636208 /nfs/dbraw/zinc/63/62/08/138636208.db2.gz PMTWWQDRFLYMRF-OAHLLOKOSA-N 1 0 342.509 1.702 20 70 EDIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000160758678 284343111 /nfs/dbraw/zinc/34/31/11/284343111.db2.gz QGIGNVZUTQGAOD-NSHDSACASA-N 1 0 347.385 1.922 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc32)C1 ZINC000160759424 533037949 /nfs/dbraw/zinc/03/79/49/533037949.db2.gz WXNRQZFKUFBPDL-WCQYABFASA-N 1 0 331.445 1.480 20 70 EDIDRO COc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000159410791 533594203 /nfs/dbraw/zinc/59/42/03/533594203.db2.gz DVFPWKWQZDZSKW-AWEZNQCLSA-N 1 0 333.432 1.728 20 70 EDIDRO COC(=O)COc1cccc(CNC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000160109021 533566806 /nfs/dbraw/zinc/56/68/06/533566806.db2.gz XXEKGULQMCWITM-BHYGNILZSA-N 1 0 346.427 1.775 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)cn1 ZINC000159854297 225289856 /nfs/dbraw/zinc/28/98/56/225289856.db2.gz QFSSMPZCFDJAIN-UHFFFAOYSA-N 1 0 326.400 1.707 20 70 EDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H](CO)C1 ZINC000159946265 225309148 /nfs/dbraw/zinc/30/91/48/225309148.db2.gz SHTKZSMLDCMRMT-NJAFHUGGSA-N 1 0 331.460 1.921 20 70 EDIDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159571630 225240979 /nfs/dbraw/zinc/24/09/79/225240979.db2.gz DRWVQJISDDSUHN-WMZOPIPTSA-N 1 0 330.476 1.894 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1C ZINC000160165543 225351122 /nfs/dbraw/zinc/35/11/22/225351122.db2.gz MSCGMMXJCCFPIT-HNNXBMFYSA-N 1 0 346.406 1.569 20 70 EDIDRO CC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000161504104 277013840 /nfs/dbraw/zinc/01/38/40/277013840.db2.gz QIVWFFXORXVGPX-OAHLLOKOSA-N 1 0 339.461 1.400 20 70 EDIDRO CC[C@H](C(=O)N1CCCN(C(=O)c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161336594 280664373 /nfs/dbraw/zinc/66/43/73/280664373.db2.gz MSKXIOUVSSLUHO-QGZVFWFLSA-N 1 0 347.459 1.710 20 70 EDIDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCC(C)(C)[NH3+])CC2 ZINC000160124754 282007819 /nfs/dbraw/zinc/00/78/19/282007819.db2.gz IHJNTJYVANKWHA-VIFPVBQESA-N 1 0 330.354 1.762 20 70 EDIDRO COC(=O)c1cccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159403609 441809851 /nfs/dbraw/zinc/80/98/51/441809851.db2.gz PRALWWXKZFCICZ-KRWDZBQOSA-N 1 0 345.443 1.387 20 70 EDIDRO CC(C)CC(=O)NCCC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159423437 441812280 /nfs/dbraw/zinc/81/22/80/441812280.db2.gz LDHOGEXJMAEOEF-GASCZTMLSA-N 1 0 327.469 1.154 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](C)Cc2ccc(F)cc2Cl)nn1 ZINC000160073977 441857518 /nfs/dbraw/zinc/85/75/18/441857518.db2.gz DZYCKSAULZAGRH-UHFFFAOYSA-N 1 0 340.786 1.918 20 70 EDIDRO COc1cccc(Cl)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160263365 441869323 /nfs/dbraw/zinc/86/93/23/441869323.db2.gz ORNOEJKUHMXUJQ-GFCCVEGCSA-N 1 0 326.824 1.925 20 70 EDIDRO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(=O)[nH]c1=O ZINC000159594917 441822586 /nfs/dbraw/zinc/82/25/86/441822586.db2.gz ZWIYIECHOZCJOO-STQMWFEESA-N 1 0 348.447 1.222 20 70 EDIDRO COCCCOC1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000159790479 441838324 /nfs/dbraw/zinc/83/83/24/441838324.db2.gz IXCSNSZSLOLNHP-UHFFFAOYSA-N 1 0 332.444 1.527 20 70 EDIDRO COc1cc(C2(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)CC2)ccc1C ZINC000159967286 441851773 /nfs/dbraw/zinc/85/17/73/441851773.db2.gz ISJQSWFYNAEQNQ-QGZVFWFLSA-N 1 0 346.471 1.998 20 70 EDIDRO Cc1nc(COc2ccccc2C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)no1 ZINC000160055068 441855582 /nfs/dbraw/zinc/85/55/82/441855582.db2.gz BHABIKQLUTXBFU-OKILXGFUSA-N 1 0 342.399 1.924 20 70 EDIDRO C[C@H]1OCCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC000160815040 441924153 /nfs/dbraw/zinc/92/41/53/441924153.db2.gz RHBMWXVFZUWUAQ-HUUCEWRRSA-N 1 0 347.463 1.152 20 70 EDIDRO COc1ccc2nc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)ccc2c1 ZINC000160402966 441878034 /nfs/dbraw/zinc/87/80/34/441878034.db2.gz GYZWKMYKQBNUGR-OAHLLOKOSA-N 1 0 343.427 1.820 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000160572857 441897883 /nfs/dbraw/zinc/89/78/83/441897883.db2.gz FQACPFNDXHUYIL-ZDUSSCGKSA-N 1 0 332.379 1.937 20 70 EDIDRO CCc1nc(COc2ccc(C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)no1 ZINC000160586432 441898557 /nfs/dbraw/zinc/89/85/57/441898557.db2.gz ZWTAYXKWMTXPCJ-CYBMUJFWSA-N 1 0 330.388 1.645 20 70 EDIDRO CCOc1ccccc1[C@H](CC(=O)N1CC[C@H]([NH2+]C)C1)NC(C)=O ZINC000160578643 441899097 /nfs/dbraw/zinc/89/90/97/441899097.db2.gz KYKGOLABBXCPSY-HOCLYGCPSA-N 1 0 333.432 1.473 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161244195 441975695 /nfs/dbraw/zinc/97/56/95/441975695.db2.gz DBZCWMOKRCLRDW-UHFFFAOYSA-N 1 0 335.423 1.762 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000160977675 441942996 /nfs/dbraw/zinc/94/29/96/441942996.db2.gz LMVNWGRCQHOTNW-CABCVRRESA-N 1 0 326.462 1.704 20 70 EDIDRO CCO[C@@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCC2 ZINC000160990980 441944180 /nfs/dbraw/zinc/94/41/80/441944180.db2.gz XOYKBCMSHNDMJX-HUUCEWRRSA-N 1 0 333.436 1.280 20 70 EDIDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000161066293 441951904 /nfs/dbraw/zinc/95/19/04/441951904.db2.gz FHOMVCFFMRYBSQ-DOTOQJQBSA-N 1 0 331.464 1.392 20 70 EDIDRO CCOC(=O)C1CCN(C(=O)CN(CC)Cc2cnn(C)c2)CC1 ZINC000161082576 441954033 /nfs/dbraw/zinc/95/40/33/441954033.db2.gz SWKJBKQNQJMVTO-UHFFFAOYSA-N 1 0 336.436 1.044 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000161088378 441955247 /nfs/dbraw/zinc/95/52/47/441955247.db2.gz MVAMJMUOHYJXID-JSGCOSHPSA-N 1 0 334.420 1.427 20 70 EDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000161448326 442001013 /nfs/dbraw/zinc/00/10/13/442001013.db2.gz CNHQSZOQBQWXGG-LBPRGKRZSA-N 1 0 341.260 1.584 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000161325882 441985760 /nfs/dbraw/zinc/98/57/60/441985760.db2.gz NOOKCGQVFFWVFF-GFCCVEGCSA-N 1 0 348.428 1.741 20 70 EDIDRO Cn1ccnc1[C@@](O)(CCNC(=O)[C@]1(C)CCC[NH2+]C1)C(F)(F)F ZINC000161345199 441988946 /nfs/dbraw/zinc/98/89/46/441988946.db2.gz OTGHZPTYQRITFT-KGLIPLIRSA-N 1 0 348.369 1.066 20 70 EDIDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159796057 533836793 /nfs/dbraw/zinc/83/67/93/533836793.db2.gz VDTSIWZUKOICAL-AWEZNQCLSA-N 1 0 334.439 1.529 20 70 EDIDRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[NH2+]CC2)cc1 ZINC000159379536 534244192 /nfs/dbraw/zinc/24/41/92/534244192.db2.gz RFVFAIWYPHDPOL-UHFFFAOYSA-N 1 0 349.232 1.989 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160201660 534754670 /nfs/dbraw/zinc/75/46/70/534754670.db2.gz WHICXQDHBROFIQ-CHWSQXEVSA-N 1 0 336.436 1.796 20 70 EDIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159709737 540012966 /nfs/dbraw/zinc/01/29/66/540012966.db2.gz ZHDQSZVJYHSTCM-INIZCTEOSA-N 1 0 338.496 1.759 20 70 EDIDRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000159748881 138638114 /nfs/dbraw/zinc/63/81/14/138638114.db2.gz BKIVYGMRVHBUCY-CHWSQXEVSA-N 1 0 339.461 1.060 20 70 EDIDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCNC(=O)C1 ZINC000159854219 138638621 /nfs/dbraw/zinc/63/86/21/138638621.db2.gz ZUSFOOVTWQIOPI-HNNXBMFYSA-N 1 0 329.444 1.815 20 70 EDIDRO CSC[C@H](CCO)[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160302807 138639936 /nfs/dbraw/zinc/63/99/36/138639936.db2.gz YYKGNODLMIQHJH-BPQIPLTHSA-N 1 0 338.517 1.980 20 70 EDIDRO CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000160960511 138641819 /nfs/dbraw/zinc/64/18/19/138641819.db2.gz LAJQAOWVSOYYGP-NSHDSACASA-N 1 0 339.823 1.745 20 70 EDIDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1O ZINC000159407633 533555164 /nfs/dbraw/zinc/55/51/64/533555164.db2.gz IUFBWZQBKKILKP-CQSZACIVSA-N 1 0 342.461 1.695 20 70 EDIDRO COCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000160301370 225382531 /nfs/dbraw/zinc/38/25/31/225382531.db2.gz VBWVEZMFJKUROT-UHFFFAOYSA-N 1 0 345.443 1.436 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160181202 225356616 /nfs/dbraw/zinc/35/66/16/225356616.db2.gz KUMATRDCSOJSQF-UHFFFAOYSA-N 1 0 334.420 1.571 20 70 EDIDRO Cc1noc2nc(C)cc(C(=O)NCC3CC[NH+](CCO)CC3)c12 ZINC000160549211 225433066 /nfs/dbraw/zinc/43/30/66/225433066.db2.gz LLYMWYSTKLPGJF-UHFFFAOYSA-N 1 0 332.404 1.274 20 70 EDIDRO CCc1nc(C(=O)N2CC[C@H]([NH2+]C)C2)nn1-c1ccccc1Cl ZINC000160713879 267508031 /nfs/dbraw/zinc/50/80/31/267508031.db2.gz SCQTWUVCASNGMB-NSHDSACASA-N 1 0 333.823 1.917 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2ccoc2)n1 ZINC000160440007 272929627 /nfs/dbraw/zinc/92/96/27/272929627.db2.gz JAHMATQTQKCXAR-ZDUSSCGKSA-N 1 0 335.429 1.980 20 70 EDIDRO CCOC(=O)C[C@@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000160585406 272930111 /nfs/dbraw/zinc/93/01/11/272930111.db2.gz JZZQMDKXCBNPBE-OAHLLOKOSA-N 1 0 348.447 1.052 20 70 EDIDRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000161056412 276335681 /nfs/dbraw/zinc/33/56/81/276335681.db2.gz CCFLWXOLGSPRLJ-ARFHVFGLSA-N 1 0 333.432 1.219 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000159542342 441820402 /nfs/dbraw/zinc/82/04/02/441820402.db2.gz CDURUCZOGBRFOY-UHFFFAOYSA-N 1 0 342.484 1.043 20 70 EDIDRO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159632160 441826177 /nfs/dbraw/zinc/82/61/77/441826177.db2.gz FPRANDBENKCAIX-LSDHHAIUSA-N 1 0 340.464 1.533 20 70 EDIDRO O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159792705 441838629 /nfs/dbraw/zinc/83/86/29/441838629.db2.gz LVQOFAPJRIMOED-GASCZTMLSA-N 1 0 349.456 1.094 20 70 EDIDRO C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159889088 441844771 /nfs/dbraw/zinc/84/47/71/441844771.db2.gz PGIAWCKKYPXCTB-RDJZCZTQSA-N 1 0 338.496 1.269 20 70 EDIDRO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCO2 ZINC000160351809 441873961 /nfs/dbraw/zinc/87/39/61/441873961.db2.gz UJCIVTPYASSAHY-GASCZTMLSA-N 1 0 344.411 1.774 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2OC)C1 ZINC000160658900 441905598 /nfs/dbraw/zinc/90/55/98/441905598.db2.gz BTKSDGKCDIOJHW-OAHLLOKOSA-N 1 0 334.416 1.877 20 70 EDIDRO Cn1cnc(-c2ccc(NC(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)n1 ZINC000160736852 441914620 /nfs/dbraw/zinc/91/46/20/441914620.db2.gz CTEDBUCLPJSGSH-ZDUSSCGKSA-N 1 0 328.420 1.945 20 70 EDIDRO Cn1nccc1/C=C/C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160764509 441918314 /nfs/dbraw/zinc/91/83/14/441918314.db2.gz NDKYRGSEVKNTJE-HNGSOEQISA-N 1 0 340.427 1.185 20 70 EDIDRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000160551123 441895599 /nfs/dbraw/zinc/89/55/99/441895599.db2.gz UZPYBJFROUBBAH-OLZOCXBDSA-N 1 0 339.402 1.392 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000161212474 441973889 /nfs/dbraw/zinc/97/38/89/441973889.db2.gz VYNVSZGMZKCKEK-UHFFFAOYSA-N 1 0 348.428 1.764 20 70 EDIDRO COc1ccc(OC)c([C@H](O)C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161232496 441974881 /nfs/dbraw/zinc/97/48/81/441974881.db2.gz DGLAQVSEDOZYQU-MQBCKMQZSA-N 1 0 336.432 1.774 20 70 EDIDRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]([NH3+])CC(C)C)CC2 ZINC000160886708 441932324 /nfs/dbraw/zinc/93/23/24/441932324.db2.gz PVPDXWFRRFXUSU-AWEZNQCLSA-N 1 0 339.461 1.247 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000160992885 441945582 /nfs/dbraw/zinc/94/55/82/441945582.db2.gz PHHAXOFRQYPXQT-HZPDHXFCSA-N 1 0 349.475 1.400 20 70 EDIDRO CC(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(N)=O ZINC000161125638 441960338 /nfs/dbraw/zinc/96/03/38/441960338.db2.gz ZUAVCUAUETUNNO-INIZCTEOSA-N 1 0 332.448 1.460 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)CC1 ZINC000161145915 441963230 /nfs/dbraw/zinc/96/32/30/441963230.db2.gz WMYIPRHBIHHKQA-GFCCVEGCSA-N 1 0 331.416 1.868 20 70 EDIDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CN1CCNCC1=O ZINC000161456749 442002299 /nfs/dbraw/zinc/00/22/99/442002299.db2.gz WDKRHUPMJOYCTA-CHWSQXEVSA-N 1 0 337.851 1.722 20 70 EDIDRO CCCC(O)(CCC)CC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000161468507 442002793 /nfs/dbraw/zinc/00/27/93/442002793.db2.gz XHCHECQMYDEJDL-KRWDZBQOSA-N 1 0 339.524 1.946 20 70 EDIDRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000161510854 442007174 /nfs/dbraw/zinc/00/71/74/442007174.db2.gz RTONZSZEESZIIX-AWEZNQCLSA-N 1 0 348.852 1.134 20 70 EDIDRO COc1ccccc1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159445233 534077900 /nfs/dbraw/zinc/07/79/00/534077900.db2.gz MZOKNQQXAGJNTO-HNNXBMFYSA-N 1 0 326.462 1.989 20 70 EDIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000161313726 526701458 /nfs/dbraw/zinc/70/14/58/526701458.db2.gz UBOPSIZFEJPVJT-UHFFFAOYSA-N 1 0 347.459 1.691 20 70 EDIDRO CC(C)n1nccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000160371895 528672745 /nfs/dbraw/zinc/67/27/45/528672745.db2.gz DDIPCPVBDKGSTP-HNNXBMFYSA-N 1 0 335.452 1.137 20 70 EDIDRO C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C[C@@H]1CCC[C@@H]1O ZINC000159806914 529838148 /nfs/dbraw/zinc/83/81/48/529838148.db2.gz VYNNRGJKEHLIOV-YOEHRIQHSA-N 1 0 345.443 1.610 20 70 EDIDRO C[C@H](CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccncc1 ZINC000159990731 539483243 /nfs/dbraw/zinc/48/32/43/539483243.db2.gz IFWNPXIDXIRSCO-MRXNPFEDSA-N 1 0 344.459 1.342 20 70 EDIDRO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000159442889 138636876 /nfs/dbraw/zinc/63/68/76/138636876.db2.gz VXKHDWLFSAKFER-JKSUJKDBSA-N 1 0 347.463 1.869 20 70 EDIDRO C[C@]1(O)CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000159798689 225279541 /nfs/dbraw/zinc/27/95/41/225279541.db2.gz KLSBAZDHTTVSSC-MJGOQNOKSA-N 1 0 347.459 1.444 20 70 EDIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CO)CC1 ZINC000159987346 225314456 /nfs/dbraw/zinc/31/44/56/225314456.db2.gz UVIQLPLHFIYJDH-QAPCUYQASA-N 1 0 331.460 1.921 20 70 EDIDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 ZINC000160277446 225378078 /nfs/dbraw/zinc/37/80/78/225378078.db2.gz FQAAOOZSVHHEBS-LBPRGKRZSA-N 1 0 334.395 1.379 20 70 EDIDRO Cc1onc(-c2ccncc2)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160282604 225380383 /nfs/dbraw/zinc/38/03/83/225380383.db2.gz DAEXPKXRCFOKSZ-OAHLLOKOSA-N 1 0 344.415 1.622 20 70 EDIDRO Cc1cccc2c(CC(=O)NC[C@H](O)C[NH+]3CCCCC3)c[nH]c21 ZINC000160368671 225398374 /nfs/dbraw/zinc/39/83/74/225398374.db2.gz XOVDRQIXDCHYLA-INIZCTEOSA-N 1 0 329.444 1.982 20 70 EDIDRO Cc1nnc(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)o1 ZINC000160180212 225354790 /nfs/dbraw/zinc/35/47/90/225354790.db2.gz KZJJINLOVZRZFX-MRXNPFEDSA-N 1 0 344.415 1.622 20 70 EDIDRO COCCC1(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000161195027 225570588 /nfs/dbraw/zinc/57/05/88/225570588.db2.gz FYCQJJMQAMNXOC-IAGOWNOFSA-N 1 0 337.508 1.820 20 70 EDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)CC2 ZINC000160306448 274854301 /nfs/dbraw/zinc/85/43/01/274854301.db2.gz ZKUQUZPGWSQMOJ-ZYHUDNBSSA-N 1 0 348.838 1.957 20 70 EDIDRO C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159544548 441820318 /nfs/dbraw/zinc/82/03/18/441820318.db2.gz NMCMOTUYDPMWHJ-DLBZAZTESA-N 1 0 338.496 1.269 20 70 EDIDRO C[NH+](C)CCN1CCN(C(=O)CCc2nnc(C3CCCC3)o2)CC1 ZINC000159567223 441820636 /nfs/dbraw/zinc/82/06/36/441820636.db2.gz ORBXTAXQVXOZJJ-UHFFFAOYSA-N 1 0 349.479 1.366 20 70 EDIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC(N)=O ZINC000160082054 441857227 /nfs/dbraw/zinc/85/72/27/441857227.db2.gz CHEABVHFVQOROP-CYBMUJFWSA-N 1 0 333.436 1.203 20 70 EDIDRO O=C(C[C@H]1COC(=O)C1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000159779699 441836526 /nfs/dbraw/zinc/83/65/26/441836526.db2.gz LDIOZTGCWDLXEJ-OAHLLOKOSA-N 1 0 331.416 1.158 20 70 EDIDRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1sccc1C ZINC000160603508 441901115 /nfs/dbraw/zinc/90/11/15/441901115.db2.gz RQQHAVXBKHZPID-LBPRGKRZSA-N 1 0 330.475 1.182 20 70 EDIDRO COc1cccc(COCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000160598785 441901158 /nfs/dbraw/zinc/90/11/58/441901158.db2.gz DLJSTQWUVAIZLA-KRWDZBQOSA-N 1 0 345.443 1.868 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2nnn(-c3cccc4cnccc43)c2C)C1 ZINC000160676233 441907938 /nfs/dbraw/zinc/90/79/38/441907938.db2.gz QSYVHDPLCVMJTM-CQSZACIVSA-N 1 0 336.399 1.558 20 70 EDIDRO CNS(=O)(=O)c1ccc(N2CCC(Cc3nccn3C)CC2)nc1 ZINC000160672540 441908233 /nfs/dbraw/zinc/90/82/33/441908233.db2.gz JMYFBNWYIOCEFM-UHFFFAOYSA-N 1 0 349.460 1.182 20 70 EDIDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160689032 441909942 /nfs/dbraw/zinc/90/99/42/441909942.db2.gz NKCSHLANOLTSKF-AWEZNQCLSA-N 1 0 338.411 1.755 20 70 EDIDRO Cn1nccc1/C=C/C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160764150 441918281 /nfs/dbraw/zinc/91/82/81/441918281.db2.gz NDKYRGSEVKNTJE-VUOWKATKSA-N 1 0 340.427 1.185 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000160795644 441921656 /nfs/dbraw/zinc/92/16/56/441921656.db2.gz AAJKDAHLCNRFFY-SNVBAGLBSA-N 1 0 336.335 1.414 20 70 EDIDRO Cn1cc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C(F)(F)F)n1 ZINC000160813923 441924359 /nfs/dbraw/zinc/92/43/59/441924359.db2.gz SYZHWBCDKQPHKX-LLVKDONJSA-N 1 0 333.358 1.675 20 70 EDIDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160394458 441876807 /nfs/dbraw/zinc/87/68/07/441876807.db2.gz GNIWMLRFICGCBF-ULQDDVLXSA-N 1 0 339.480 1.696 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000160498766 441889362 /nfs/dbraw/zinc/88/93/62/441889362.db2.gz CNIVABQWIPRHHI-CYBMUJFWSA-N 1 0 339.461 1.104 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000160502333 441890568 /nfs/dbraw/zinc/89/05/68/441890568.db2.gz TWZTXVOARNNBJB-UHFFFAOYSA-N 1 0 349.479 1.579 20 70 EDIDRO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC([NH3+])(CC)CC ZINC000160552156 441896080 /nfs/dbraw/zinc/89/60/80/441896080.db2.gz OGOAAMKFVDTSHO-CYBMUJFWSA-N 1 0 333.498 1.214 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1SCCc2ccccc21 ZINC000160558487 441896427 /nfs/dbraw/zinc/89/64/27/441896427.db2.gz FINQTBDNGZFFQO-KRWDZBQOSA-N 1 0 334.485 1.838 20 70 EDIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1ccccc1-n1cccn1 ZINC000160872074 441930130 /nfs/dbraw/zinc/93/01/30/441930130.db2.gz ZBSIWCRAHQHLBV-OLZOCXBDSA-N 1 0 341.415 1.900 20 70 EDIDRO NC(=O)[C@H]1CC[C@@H](CNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)O1 ZINC000160902200 441933468 /nfs/dbraw/zinc/93/34/68/441933468.db2.gz LEFUZTWALXMSCF-ABUMPJRPSA-N 1 0 340.383 1.035 20 70 EDIDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)CC2 ZINC000161009854 441946590 /nfs/dbraw/zinc/94/65/90/441946590.db2.gz RQVUTLXTKOKDLT-SFHVURJKSA-N 1 0 337.423 1.987 20 70 EDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)COCC1CC1 ZINC000161030826 441948708 /nfs/dbraw/zinc/94/87/08/441948708.db2.gz XHHZQICWGJOERC-SJORKVTESA-N 1 0 341.496 1.584 20 70 EDIDRO CO[C@H]1CCN(C(=O)c2ccc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000161070737 441951785 /nfs/dbraw/zinc/95/17/85/441951785.db2.gz MPKPKPWVTMGECE-MNOVXSKESA-N 1 0 328.210 1.422 20 70 EDIDRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)n1 ZINC000161088507 441955175 /nfs/dbraw/zinc/95/51/75/441955175.db2.gz INABJHUVCBTTAW-GDBMZVCRSA-N 1 0 329.404 1.225 20 70 EDIDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000161095661 441956661 /nfs/dbraw/zinc/95/66/61/441956661.db2.gz KWGXIQFTLAJHRR-INIZCTEOSA-N 1 0 345.443 1.551 20 70 EDIDRO CCc1ccc([C@H](NC(=O)C[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161273090 441979777 /nfs/dbraw/zinc/97/97/77/441979777.db2.gz LBEQBNSJDNMBPV-SFHVURJKSA-N 1 0 346.452 1.817 20 70 EDIDRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCOC[C@H]3C3CC3)c2)CC1 ZINC000161373983 441992375 /nfs/dbraw/zinc/99/23/75/441992375.db2.gz UMBHMQCMFZLWDN-IBGZPJMESA-N 1 0 343.471 1.685 20 70 EDIDRO Cc1ccc(C)c(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000161415800 441996799 /nfs/dbraw/zinc/99/67/99/441996799.db2.gz VZPRSTVSSJBLIW-UHFFFAOYSA-N 1 0 326.462 1.286 20 70 EDIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@@H]3CCOC3)nc(N)c21 ZINC000161426229 441998910 /nfs/dbraw/zinc/99/89/10/441998910.db2.gz XXBSFVHNMRKUER-NSHDSACASA-N 1 0 348.403 1.758 20 70 EDIDRO CN(C(=O)Cc1cc2ccccc2[nH]c1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161319064 441984256 /nfs/dbraw/zinc/98/42/56/441984256.db2.gz QMVNLJHOKUMHMF-XYPWUTKMSA-N 1 0 325.412 1.812 20 70 EDIDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000161328632 441986012 /nfs/dbraw/zinc/98/60/12/441986012.db2.gz ICJCIQDKCOVMIS-LLVKDONJSA-N 1 0 329.169 1.825 20 70 EDIDRO Cc1ccsc1CCCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000161328870 441986154 /nfs/dbraw/zinc/98/61/54/441986154.db2.gz BDKJLWVONJYHRS-UHFFFAOYSA-N 1 0 337.489 1.612 20 70 EDIDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C)onc2CC)CC1 ZINC000160690125 318423114 /nfs/dbraw/zinc/42/31/14/318423114.db2.gz CSVJNMIIBYSNJA-UHFFFAOYSA-N 1 0 336.436 1.722 20 70 EDIDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000160812252 486638744 /nfs/dbraw/zinc/63/87/44/486638744.db2.gz GIGOKTWPNGCNFZ-KOLCDFICSA-N 1 0 338.351 1.442 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000161238637 486643462 /nfs/dbraw/zinc/64/34/62/486643462.db2.gz OXVLEKJFCDBVHX-MSOLQXFVSA-N 1 0 330.476 1.190 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2)nc1 ZINC000159957642 534538533 /nfs/dbraw/zinc/53/85/33/534538533.db2.gz ZREFDYNYTOYUDS-MRXNPFEDSA-N 1 0 332.448 1.258 20 70 EDIDRO O=C(CNC(=O)OCC(F)(F)F)NCC[NH2+]C1CCCCCC1 ZINC000159698666 534574883 /nfs/dbraw/zinc/57/48/83/534574883.db2.gz KKWLFFCXMPGRPC-UHFFFAOYSA-N 1 0 339.358 1.704 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160036569 534756857 /nfs/dbraw/zinc/75/68/57/534756857.db2.gz CCUFMNLMRIRLEA-OAHLLOKOSA-N 1 0 342.399 1.875 20 70 EDIDRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159878559 528167198 /nfs/dbraw/zinc/16/71/98/528167198.db2.gz HATOFCJDKLQWPA-NWDGAFQWSA-N 1 0 330.392 1.152 20 70 EDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000159492889 528895189 /nfs/dbraw/zinc/89/51/89/528895189.db2.gz RTFCMZUKTZQBHT-UHFFFAOYSA-N 1 0 333.436 1.311 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000159524506 529035442 /nfs/dbraw/zinc/03/54/42/529035442.db2.gz CURWSEZJJJQGJX-UHFFFAOYSA-N 1 0 334.395 1.523 20 70 EDIDRO COC(=O)CCCc1nnc(NC(=O)C2(C[NH3+])CCCC2)s1 ZINC000159735510 291002913 /nfs/dbraw/zinc/00/29/13/291002913.db2.gz VGWAQUOYKXXPNZ-UHFFFAOYSA-N 1 0 326.422 1.491 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000159998767 540017962 /nfs/dbraw/zinc/01/79/62/540017962.db2.gz SIIRVFYXXSVMJL-INIZCTEOSA-N 1 0 336.480 1.515 20 70 EDIDRO CCOc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]C)CC1=O ZINC000161272794 286578493 /nfs/dbraw/zinc/57/84/93/286578493.db2.gz VXKICGREXBAUOO-GJZGRUSLSA-N 1 0 345.443 1.649 20 70 EDIDRO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159747188 225270153 /nfs/dbraw/zinc/27/01/53/225270153.db2.gz MNBNOVHLURBBEZ-IUODEOHRSA-N 1 0 335.835 1.903 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000159780077 225277396 /nfs/dbraw/zinc/27/73/96/225277396.db2.gz QLUIDXMEIGFDCO-ZDUSSCGKSA-N 1 0 332.429 1.809 20 70 EDIDRO C[C@@]1(O)CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000159798824 225280080 /nfs/dbraw/zinc/28/00/80/225280080.db2.gz KLSBAZDHTTVSSC-IEBWSBKVSA-N 1 0 347.459 1.444 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000159925648 225304176 /nfs/dbraw/zinc/30/41/76/225304176.db2.gz XNFJCKCQUPRREF-LBPRGKRZSA-N 1 0 331.338 1.677 20 70 EDIDRO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000159604984 225248287 /nfs/dbraw/zinc/24/82/87/225248287.db2.gz AXHITWNGCOLFIQ-CHWSQXEVSA-N 1 0 337.855 1.659 20 70 EDIDRO C[C@H]1C[C@H](NC(=O)N2CCNC(=O)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000160087751 225334672 /nfs/dbraw/zinc/33/46/72/225334672.db2.gz MQCOCWYLRADTLR-DZKIICNBSA-N 1 0 330.432 1.179 20 70 EDIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160142984 225346801 /nfs/dbraw/zinc/34/68/01/225346801.db2.gz IMLCYLFHWAKBTC-QZTJIDSGSA-N 1 0 337.423 1.868 20 70 EDIDRO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)Cc1cccs1 ZINC000161091451 225544894 /nfs/dbraw/zinc/54/48/94/225544894.db2.gz DZOQWZHDXRGYIV-LBPRGKRZSA-N 1 0 333.461 1.873 20 70 EDIDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000161486700 277045161 /nfs/dbraw/zinc/04/51/61/277045161.db2.gz CWTHASDRZBRCKV-IAGOWNOFSA-N 1 0 345.491 1.074 20 70 EDIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000161244677 278088434 /nfs/dbraw/zinc/08/84/34/278088434.db2.gz NGLUEBRXRVEYIB-QBBMROGASA-N 1 0 325.497 1.911 20 70 EDIDRO CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000160177839 302920921 /nfs/dbraw/zinc/92/09/21/302920921.db2.gz NPMKJLZGWOLBLO-WCQYABFASA-N 1 0 326.418 1.364 20 70 EDIDRO COC(=O)c1cccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159403468 441810438 /nfs/dbraw/zinc/81/04/38/441810438.db2.gz PRALWWXKZFCICZ-QGZVFWFLSA-N 1 0 345.443 1.387 20 70 EDIDRO CCCn1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cn1 ZINC000159415931 441812160 /nfs/dbraw/zinc/81/21/60/441812160.db2.gz QRPNFVXSXQNDJE-HNNXBMFYSA-N 1 0 328.482 1.587 20 70 EDIDRO C[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159447420 441813408 /nfs/dbraw/zinc/81/34/08/441813408.db2.gz PBDIBRVOTPGJRA-BBRMVZONSA-N 1 0 327.446 1.562 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160112686 441860228 /nfs/dbraw/zinc/86/02/28/441860228.db2.gz ZKNFGYWXMYQAOO-UHFFFAOYSA-N 1 0 325.453 1.988 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000160660060 441906765 /nfs/dbraw/zinc/90/67/65/441906765.db2.gz QVAQEXVEFVPMNL-CQSZACIVSA-N 1 0 330.388 1.211 20 70 EDIDRO CC(=O)c1cccc(O[C@@H](C)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160669591 441906876 /nfs/dbraw/zinc/90/68/76/441906876.db2.gz GJBYYQVGDDCIPI-HNNXBMFYSA-N 1 0 348.443 1.477 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnc(-c2ncccn2)s1 ZINC000160418204 441880555 /nfs/dbraw/zinc/88/05/55/441880555.db2.gz LVBVGAOHABNPNC-LBPRGKRZSA-N 1 0 347.444 1.177 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1CC ZINC000160432316 441881793 /nfs/dbraw/zinc/88/17/93/441881793.db2.gz FJICZLOSSVJBLQ-CYBMUJFWSA-N 1 0 349.479 1.378 20 70 EDIDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(NC(N)=O)CC2)cc1 ZINC000160475488 441886729 /nfs/dbraw/zinc/88/67/29/441886729.db2.gz WCGBJVPXQDPXCH-CQSZACIVSA-N 1 0 344.459 1.878 20 70 EDIDRO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000160539131 441893858 /nfs/dbraw/zinc/89/38/58/441893858.db2.gz VWVKGOPVRNJVRU-HOCLYGCPSA-N 1 0 337.464 1.988 20 70 EDIDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(NC(N)=O)CC1 ZINC000160588347 441898392 /nfs/dbraw/zinc/89/83/92/441898392.db2.gz WTURHVWUJPXPRM-CQSZACIVSA-N 1 0 344.459 1.878 20 70 EDIDRO C[C@@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)Cc2ccccc2C(=O)O1 ZINC000160593640 441899412 /nfs/dbraw/zinc/89/94/12/441899412.db2.gz KNDQVETXFPTISS-KXBFYZLASA-N 1 0 346.427 1.121 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000161086129 441954874 /nfs/dbraw/zinc/95/48/74/441954874.db2.gz RMYCYBARWRVAME-VXGBXAGGSA-N 1 0 339.461 1.559 20 70 EDIDRO CC(C)c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000161384984 441993548 /nfs/dbraw/zinc/99/35/48/441993548.db2.gz CJPDDDSFFHXCEH-UHFFFAOYSA-N 1 0 340.489 1.793 20 70 EDIDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c(F)c1 ZINC000161409516 441996156 /nfs/dbraw/zinc/99/61/56/441996156.db2.gz KWHDENCHOBYNIJ-UHFFFAOYSA-N 1 0 330.425 1.117 20 70 EDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc2c1N=S=N2 ZINC000161418945 441998438 /nfs/dbraw/zinc/99/84/38/441998438.db2.gz KBBWBMPIZIFDEF-LBPRGKRZSA-N 1 0 330.435 1.004 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161461070 442001546 /nfs/dbraw/zinc/00/15/46/442001546.db2.gz XSWZDKCWLYLILH-OLZOCXBDSA-N 1 0 341.864 1.642 20 70 EDIDRO CC(C)[C@@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161316724 441984620 /nfs/dbraw/zinc/98/46/20/441984620.db2.gz CVWQKPKIUGBOOZ-YOEHRIQHSA-N 1 0 334.464 1.923 20 70 EDIDRO CC1CC[NH+](CCCCNC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000160622514 318422719 /nfs/dbraw/zinc/42/27/19/318422719.db2.gz DPRHQCWFWJPHFX-UHFFFAOYSA-N 1 0 332.510 1.828 20 70 EDIDRO CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161120318 486642501 /nfs/dbraw/zinc/64/25/01/486642501.db2.gz VNPRBMAHEKDOQD-LSDHHAIUSA-N 1 0 347.459 1.981 20 70 EDIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccccc1 ZINC000159949282 533787457 /nfs/dbraw/zinc/78/74/57/533787457.db2.gz ICUCYFKRXYVGHU-QGZVFWFLSA-N 1 0 342.443 1.757 20 70 EDIDRO Cc1noc(Cl)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000160369596 534426475 /nfs/dbraw/zinc/42/64/75/534426475.db2.gz YVPVBRGKJBLKRL-UHFFFAOYSA-N 1 0 349.822 1.964 20 70 EDIDRO CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160884340 534470143 /nfs/dbraw/zinc/47/01/43/534470143.db2.gz CRVZPTPIEKKVAE-HOTGVXAUSA-N 1 0 336.480 1.561 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000159971118 534539072 /nfs/dbraw/zinc/53/90/72/534539072.db2.gz WETNVKKXWIDZFG-HIFRSBDPSA-N 1 0 331.416 1.075 20 70 EDIDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000160165954 528427809 /nfs/dbraw/zinc/42/78/09/528427809.db2.gz PUJHQPDTMUEJJM-HNNXBMFYSA-N 1 0 328.434 1.500 20 70 EDIDRO CC[NH+]1CCN(CCC(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000159691107 529140975 /nfs/dbraw/zinc/14/09/75/529140975.db2.gz NWJXTXGPZKOQFW-IEBWSBKVSA-N 1 0 347.503 1.685 20 70 EDIDRO c1nnc2ccc(N3CCN(CCC[NH+]4CCCCC4)CC3)nn12 ZINC000161341124 540033318 /nfs/dbraw/zinc/03/33/18/540033318.db2.gz LNXGWRGEBOPILY-UHFFFAOYSA-N 1 0 329.452 1.122 20 70 EDIDRO COc1ccncc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159453019 533088015 /nfs/dbraw/zinc/08/80/15/533088015.db2.gz UWBQAFCZEFXUBG-CYBMUJFWSA-N 1 0 334.420 1.123 20 70 EDIDRO COCC(=O)N[C@H](C(=O)NCC[NH2+]C1CCCCCC1)C(C)C ZINC000159669700 225257998 /nfs/dbraw/zinc/25/79/98/225257998.db2.gz ZUJUMWUTJZLOKR-INIZCTEOSA-N 1 0 327.469 1.202 20 70 EDIDRO O=C(CCn1cnc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160379971 225399437 /nfs/dbraw/zinc/39/94/37/225399437.db2.gz WCZGKKZKLNTTCQ-HNNXBMFYSA-N 1 0 330.432 1.389 20 70 EDIDRO [NH3+]CCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000160126150 225343695 /nfs/dbraw/zinc/34/36/95/225343695.db2.gz ROLSNYGPCYAKLA-HNNXBMFYSA-N 1 0 329.366 1.906 20 70 EDIDRO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)NC(=O)C1CCCC1 ZINC000160323643 267502162 /nfs/dbraw/zinc/50/21/62/267502162.db2.gz MRWNFHUJHWNBAU-HOCLYGCPSA-N 1 0 339.480 1.034 20 70 EDIDRO O=C(NCc1cccc(COC2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000159538105 441820182 /nfs/dbraw/zinc/82/01/82/441820182.db2.gz JCZGLLPEJRINJK-KRWDZBQOSA-N 1 0 332.444 1.998 20 70 EDIDRO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159393466 441809762 /nfs/dbraw/zinc/80/97/62/441809762.db2.gz VLAVXVNEYIDTCG-TXEJJXNPSA-N 1 0 341.415 1.106 20 70 EDIDRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159580172 441823227 /nfs/dbraw/zinc/82/32/27/441823227.db2.gz MDEDISPDFJLTAM-BETUJISGSA-N 1 0 342.848 1.467 20 70 EDIDRO CCC(CC)(CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)C(=O)OC ZINC000159665354 441829292 /nfs/dbraw/zinc/82/92/92/441829292.db2.gz LWTIJTGUDSQJON-CQSZACIVSA-N 1 0 327.469 1.997 20 70 EDIDRO O=C(Cn1nnc2ccccc2c1=O)NCC[NH2+]C1CCCCCC1 ZINC000159720773 441832381 /nfs/dbraw/zinc/83/23/81/441832381.db2.gz STSGENQRBOBXMB-UHFFFAOYSA-N 1 0 343.431 1.220 20 70 EDIDRO CC(C)CNC(=O)NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159894671 441844878 /nfs/dbraw/zinc/84/48/78/441844878.db2.gz DNVXIYPUGDFTNV-UHFFFAOYSA-N 1 0 326.466 1.878 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000159908043 441846144 /nfs/dbraw/zinc/84/61/44/441846144.db2.gz PFHAAVWSQNXKMZ-OAHLLOKOSA-N 1 0 334.468 1.126 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160635143 441904170 /nfs/dbraw/zinc/90/41/70/441904170.db2.gz GHLBNIKAEWLMFW-INWMFGNUSA-N 1 0 326.462 1.796 20 70 EDIDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CNC(=O)CC1CCCC1 ZINC000160743928 441915976 /nfs/dbraw/zinc/91/59/76/441915976.db2.gz QDMLIINHUGNLCM-SFHVURJKSA-N 1 0 345.487 1.972 20 70 EDIDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160394582 441876595 /nfs/dbraw/zinc/87/65/95/441876595.db2.gz GNIWMLRFICGCBF-BBWFWOEESA-N 1 0 339.480 1.696 20 70 EDIDRO Cn1cc(N2CCC[C@@H](N3CCC(C[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000160483421 441888707 /nfs/dbraw/zinc/88/87/07/441888707.db2.gz SYUGWJINXBFNPS-GOSISDBHSA-N 1 0 345.491 1.723 20 70 EDIDRO CCC[N@H+](CC)CCNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160545213 441894707 /nfs/dbraw/zinc/89/47/07/441894707.db2.gz ZHWPHWRGLXBQNN-UHFFFAOYSA-N 1 0 333.480 1.641 20 70 EDIDRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000160567870 441897301 /nfs/dbraw/zinc/89/73/01/441897301.db2.gz NPHPEWFFVHZBHE-HNNXBMFYSA-N 1 0 343.431 1.152 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccn(-c2ccccc2F)n1 ZINC000160571893 441898002 /nfs/dbraw/zinc/89/80/02/441898002.db2.gz MTBGTIDWOMBXOI-UHFFFAOYSA-N 1 0 346.406 1.446 20 70 EDIDRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2 ZINC000160885518 441932422 /nfs/dbraw/zinc/93/24/22/441932422.db2.gz QJYMFPJUKINFAF-CQSZACIVSA-N 1 0 339.461 1.247 20 70 EDIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160896732 441933352 /nfs/dbraw/zinc/93/33/52/441933352.db2.gz FEZJQBRKQRWQFY-JQWIXIFHSA-N 1 0 347.385 1.921 20 70 EDIDRO CCN(C(=O)NCc1ncn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161070098 441952723 /nfs/dbraw/zinc/95/27/23/441952723.db2.gz LFRLBBPUUIBZNF-MRXNPFEDSA-N 1 0 342.447 1.621 20 70 EDIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000161370865 441991011 /nfs/dbraw/zinc/99/10/11/441991011.db2.gz CFKOEVRFCFTNOS-ZOBUZTSGSA-N 1 0 339.480 1.290 20 70 EDIDRO CCCC[N@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000161381729 441992634 /nfs/dbraw/zinc/99/26/34/441992634.db2.gz VTDYPFBHNIWVCK-UHFFFAOYSA-N 1 0 327.450 1.703 20 70 EDIDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000161281215 441981158 /nfs/dbraw/zinc/98/11/58/441981158.db2.gz VAOVRBIHYCUGGT-UHFFFAOYSA-N 1 0 349.479 1.858 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000161300074 441982955 /nfs/dbraw/zinc/98/29/55/441982955.db2.gz AJLTZNRUOMBVNL-OAHLLOKOSA-N 1 0 346.406 1.569 20 70 EDIDRO C[C@H](CN1CCOCC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160314064 318421797 /nfs/dbraw/zinc/42/17/97/318421797.db2.gz CJIMPDASZSDNHV-OAHLLOKOSA-N 1 0 326.485 1.223 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 ZINC000161135813 486642638 /nfs/dbraw/zinc/64/26/38/486642638.db2.gz WPUZTIXFYVPARM-STQMWFEESA-N 1 0 339.386 1.861 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1 ZINC000161223369 486643249 /nfs/dbraw/zinc/64/32/49/486643249.db2.gz CIUNZRCNCBWEON-GDBMZVCRSA-N 1 0 347.463 1.332 20 70 EDIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000159518374 533846551 /nfs/dbraw/zinc/84/65/51/533846551.db2.gz POGPOKXDQIUIKU-ZDUSSCGKSA-N 1 0 339.461 1.721 20 70 EDIDRO CS[C@@H]1CCC[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000159570372 533958605 /nfs/dbraw/zinc/95/86/05/533958605.db2.gz LNLQHMBNYLYPOS-GXTWGEPZSA-N 1 0 337.493 1.915 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000160122813 534537851 /nfs/dbraw/zinc/53/78/51/534537851.db2.gz UEBPEZVOXXTBKF-WBVHZDCISA-N 1 0 331.416 1.143 20 70 EDIDRO O=C(Cc1cc(F)c(F)cc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160282719 534697598 /nfs/dbraw/zinc/69/75/98/534697598.db2.gz GWXNWLMIKWVDPT-LBPRGKRZSA-N 1 0 330.350 1.609 20 70 EDIDRO CCC[N@H+](CC)CCNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC000159913826 527975598 /nfs/dbraw/zinc/97/55/98/527975598.db2.gz CIDWFCZRKQMUIG-UHFFFAOYSA-N 1 0 341.477 1.413 20 70 EDIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000160001402 530055970 /nfs/dbraw/zinc/05/59/70/530055970.db2.gz SHHXYRGNUVPACR-GFCCVEGCSA-N 1 0 337.493 1.578 20 70 EDIDRO CCNC(=O)COc1ccc(C[NH2+]Cc2ccnn2CC)cc1OC ZINC000160013488 539483001 /nfs/dbraw/zinc/48/30/01/539483001.db2.gz ICWNWWWOWCMXQG-UHFFFAOYSA-N 1 0 346.431 1.716 20 70 EDIDRO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1OC ZINC000160822601 539484043 /nfs/dbraw/zinc/48/40/43/539484043.db2.gz WPCZOVFJNGXKQW-DOMZBBRYSA-N 1 0 336.432 1.411 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000159469224 540009936 /nfs/dbraw/zinc/00/99/36/540009936.db2.gz NIMWVUUAQAURRR-ZDUSSCGKSA-N 1 0 345.447 1.387 20 70 EDIDRO C[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@H]1CCC[C@@H]1O ZINC000159628782 540011716 /nfs/dbraw/zinc/01/17/16/540011716.db2.gz BFHIBTQIIMDRII-KFWWJZLASA-N 1 0 334.416 1.035 20 70 EDIDRO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)C[C@H](O)C1CC1 ZINC000160855529 540028219 /nfs/dbraw/zinc/02/82/19/540028219.db2.gz QSIBYNDJQJPAPY-CJNGLKHVSA-N 1 0 348.443 1.208 20 70 EDIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ncccn1 ZINC000159912790 533533631 /nfs/dbraw/zinc/53/36/31/533533631.db2.gz TWAYNCMYQGSKLR-CHWSQXEVSA-N 1 0 337.387 1.735 20 70 EDIDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1 ZINC000159452157 225220710 /nfs/dbraw/zinc/22/07/10/225220710.db2.gz WQJPZYJKXVOBNW-UHFFFAOYSA-N 1 0 345.443 1.968 20 70 EDIDRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)C1CC[NH2+]CC1 ZINC000159799184 225279225 /nfs/dbraw/zinc/27/92/25/225279225.db2.gz YGZOMBMPJXRDBF-UHFFFAOYSA-N 1 0 329.400 1.179 20 70 EDIDRO CCn1nnnc1-c1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000159584539 225245353 /nfs/dbraw/zinc/24/53/53/225245353.db2.gz VKTJBPWPROHGNQ-CQSZACIVSA-N 1 0 330.392 1.067 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000160306240 225384498 /nfs/dbraw/zinc/38/44/98/225384498.db2.gz DRKVKCYKHSQLPX-KRWDZBQOSA-N 1 0 328.416 1.449 20 70 EDIDRO COC(=O)CCc1nnc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])s1 ZINC000159461168 267494907 /nfs/dbraw/zinc/49/49/07/267494907.db2.gz BQFGCADOJRLIQM-WDEREUQCSA-N 1 0 340.449 1.880 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000161330889 272930693 /nfs/dbraw/zinc/93/06/93/272930693.db2.gz PIBNYPDQEIXJSK-CQSZACIVSA-N 1 0 334.416 1.877 20 70 EDIDRO CN1C(=O)C[C@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H]1c1cccs1 ZINC000159537447 441820141 /nfs/dbraw/zinc/82/01/41/441820141.db2.gz CWRFSQRWEGUULR-BBRMVZONSA-N 1 0 335.473 1.820 20 70 EDIDRO Cc1ccc(CCC(=O)NCC(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000160108839 441859995 /nfs/dbraw/zinc/85/99/95/441859995.db2.gz YNYHGFPSZJYFKE-QGZVFWFLSA-N 1 0 331.460 1.500 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(OCCOC)c2)CC1 ZINC000159643153 441825812 /nfs/dbraw/zinc/82/58/12/441825812.db2.gz KEBWNZNINXNHKR-UHFFFAOYSA-N 1 0 335.448 1.949 20 70 EDIDRO CN1CCN([C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000159637876 441826281 /nfs/dbraw/zinc/82/62/81/441826281.db2.gz MXHIATAUIZRPNH-CEXWTWQISA-N 1 0 342.487 1.328 20 70 EDIDRO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159704329 441830639 /nfs/dbraw/zinc/83/06/39/441830639.db2.gz OJMMFEZPYPEFIX-OKILXGFUSA-N 1 0 328.416 1.532 20 70 EDIDRO CCC[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCO1 ZINC000159713216 441831967 /nfs/dbraw/zinc/83/19/67/441831967.db2.gz NFSXPLOWOXAQJC-MRXNPFEDSA-N 1 0 326.485 1.225 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2nnc3ccccn32)CC1 ZINC000159948522 441848925 /nfs/dbraw/zinc/84/89/25/441848925.db2.gz GHHDSJUQLREOIE-UHFFFAOYSA-N 1 0 330.436 1.399 20 70 EDIDRO Cc1c(CNC(=O)NCc2ccccc2OCC[NH+](C)C)cnn1C ZINC000160771538 441919197 /nfs/dbraw/zinc/91/91/97/441919197.db2.gz FPDUMUXIYUKHFW-UHFFFAOYSA-N 1 0 345.447 1.668 20 70 EDIDRO Cc1cccc2[nH]c(CCC(=O)NC[C@@H](O)C[NH+]3CCCCC3)nc21 ZINC000160507762 441891904 /nfs/dbraw/zinc/89/19/04/441891904.db2.gz BLIZFBXNUBGAIY-OAHLLOKOSA-N 1 0 344.459 1.767 20 70 EDIDRO COc1cc(C)ccc1OCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160552474 441896318 /nfs/dbraw/zinc/89/63/18/441896318.db2.gz CIQAMLZCVZYTHA-HNNXBMFYSA-N 1 0 336.432 1.345 20 70 EDIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(=O)NCC(F)(F)F ZINC000160570722 441897759 /nfs/dbraw/zinc/89/77/59/441897759.db2.gz LCWRNETZODLKPE-ZETCQYMHSA-N 1 0 343.147 1.302 20 70 EDIDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)NCC(F)(F)F ZINC000160598012 441899432 /nfs/dbraw/zinc/89/94/32/441899432.db2.gz QHTSLDPFJOSZBW-AGIUHOORSA-N 1 0 337.386 1.144 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1c(F)cccc1F ZINC000161201310 441971614 /nfs/dbraw/zinc/97/16/14/441971614.db2.gz KPWBBOFXHGYXNV-WFASDCNBSA-N 1 0 339.386 1.743 20 70 EDIDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160990786 441943979 /nfs/dbraw/zinc/94/39/79/441943979.db2.gz PRHASYNOQFIBOQ-LBPRGKRZSA-N 1 0 337.489 1.912 20 70 EDIDRO Cn1c(=O)cccc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000161047033 441950299 /nfs/dbraw/zinc/95/02/99/441950299.db2.gz POJUWNIUPMDSHZ-UHFFFAOYSA-N 1 0 340.427 1.385 20 70 EDIDRO Cc1cc(O)cc(=O)n1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000161405477 441997029 /nfs/dbraw/zinc/99/70/29/441997029.db2.gz IAZNKDBZIZJAAX-OAHLLOKOSA-N 1 0 345.399 1.409 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161303216 441982904 /nfs/dbraw/zinc/98/29/04/441982904.db2.gz HCIMNUDIPVYRLD-ZFWWWQNUSA-N 1 0 347.484 1.972 20 70 EDIDRO O[C@H](C[NH2+]C1CCC2(CC1)OCCO2)COc1ccc(F)c(F)c1 ZINC000161457388 442001817 /nfs/dbraw/zinc/00/18/17/442001817.db2.gz LTDOSODDBONSRT-CYBMUJFWSA-N 1 0 343.370 1.980 20 70 EDIDRO Cc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1N1CCNC1=O ZINC000161329986 441986222 /nfs/dbraw/zinc/98/62/22/441986222.db2.gz BJQRJHWVMXNGQS-XJKSGUPXSA-N 1 0 344.459 1.983 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000159665217 318419950 /nfs/dbraw/zinc/41/99/50/318419950.db2.gz HAZNMNBFYKJWIG-CYBMUJFWSA-N 1 0 336.417 1.976 20 70 EDIDRO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)o1 ZINC000161006985 486641676 /nfs/dbraw/zinc/64/16/76/486641676.db2.gz DXAAYROAGWNLFT-UHFFFAOYSA-N 1 0 331.347 1.362 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](C)[C@@H](C)c2sc(C)nc2C)nn1 ZINC000160062292 533788608 /nfs/dbraw/zinc/78/86/08/533788608.db2.gz SXIKKMQOBWWGNZ-NSHDSACASA-N 1 0 337.449 1.760 20 70 EDIDRO CC(C)Oc1cccc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160089623 528219904 /nfs/dbraw/zinc/21/99/04/528219904.db2.gz AFLPOKMKXQTYGY-QGZVFWFLSA-N 1 0 334.460 1.979 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CC1 ZINC000161146023 528288544 /nfs/dbraw/zinc/28/85/44/528288544.db2.gz WMYIPRHBIHHKQA-LBPRGKRZSA-N 1 0 331.416 1.868 20 70 EDIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000160103882 528552865 /nfs/dbraw/zinc/55/28/65/528552865.db2.gz VWDLKCIKYHSNKN-ZDUSSCGKSA-N 1 0 343.424 1.578 20 70 EDIDRO CCc1ncc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000161130181 529758384 /nfs/dbraw/zinc/75/83/84/529758384.db2.gz FVDNPFXOJOIROM-HZPDHXFCSA-N 1 0 347.463 1.928 20 70 EDIDRO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159441794 529838341 /nfs/dbraw/zinc/83/83/41/529838341.db2.gz PXCKRTKMSABHSR-YJBOKZPZSA-N 1 0 347.459 1.555 20 70 EDIDRO Cn1c(=O)cccc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000161455131 539484841 /nfs/dbraw/zinc/48/48/41/539484841.db2.gz AXWTWIXIEXNXIK-UHFFFAOYSA-N 1 0 342.399 1.528 20 70 EDIDRO C[C@H](CC(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccncc1 ZINC000159553813 540010753 /nfs/dbraw/zinc/01/07/53/540010753.db2.gz ZSLXHNNGFBNZQZ-MRXNPFEDSA-N 1 0 332.492 1.965 20 70 EDIDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161374547 540033293 /nfs/dbraw/zinc/03/32/93/540033293.db2.gz IEFGKPNTPMOGKU-HNNXBMFYSA-N 1 0 342.447 1.581 20 70 EDIDRO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159776197 283791218 /nfs/dbraw/zinc/79/12/18/283791218.db2.gz OJCFOKSKEQKCRA-OAGGEKHMSA-N 1 0 327.428 1.931 20 70 EDIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159365051 225203505 /nfs/dbraw/zinc/20/35/05/225203505.db2.gz BZTVPMLDYXWFSD-LBPRGKRZSA-N 1 0 332.441 1.458 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000159652477 225254591 /nfs/dbraw/zinc/25/45/91/225254591.db2.gz JOIFAIOKEMHQAX-ZIAGYGMSSA-N 1 0 348.491 1.885 20 70 EDIDRO C[C@]12CCC(=O)N1[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)CS2 ZINC000159647894 225255239 /nfs/dbraw/zinc/25/52/39/225255239.db2.gz HVXWBDMXJWWGBH-PBHICJAKSA-N 1 0 339.505 1.869 20 70 EDIDRO Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160269137 225376638 /nfs/dbraw/zinc/37/66/38/225376638.db2.gz MZKPCUQBEYTNRB-KRWDZBQOSA-N 1 0 342.443 1.757 20 70 EDIDRO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000160300887 225382710 /nfs/dbraw/zinc/38/27/10/225382710.db2.gz SUVGJEXGKZULEU-IRXDYDNUSA-N 1 0 349.475 1.929 20 70 EDIDRO O[C@@H](COC1CCOCC1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160311953 225387614 /nfs/dbraw/zinc/38/76/14/225387614.db2.gz FWRRFICUPVLZLO-CQSZACIVSA-N 1 0 326.462 1.427 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)no2)c1 ZINC000160374338 225399620 /nfs/dbraw/zinc/39/96/20/225399620.db2.gz SBKVLCXGBZXERG-RHSMWYFYSA-N 1 0 343.431 1.784 20 70 EDIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160143129 225346983 /nfs/dbraw/zinc/34/69/83/225346983.db2.gz IMLCYLFHWAKBTC-MSOLQXFVSA-N 1 0 337.423 1.868 20 70 EDIDRO CCOC(=O)CCc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000160491402 272929822 /nfs/dbraw/zinc/92/98/22/272929822.db2.gz OMKBVHXHTAGPTM-INIZCTEOSA-N 1 0 334.416 1.889 20 70 EDIDRO C[NH+](C)CCCOC1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159363085 302916783 /nfs/dbraw/zinc/91/67/83/302916783.db2.gz CISFZZDQKCRNHA-UHFFFAOYSA-N 1 0 340.493 1.828 20 70 EDIDRO Cc1cccc2c1ncn(CC(=O)N1C[C@H]3CCC[C@@H](C1)[NH2+]3)c2=O ZINC000159513574 441818768 /nfs/dbraw/zinc/81/87/68/441818768.db2.gz OJFVHHKDOOCNKI-OKILXGFUSA-N 1 0 326.400 1.058 20 70 EDIDRO CNC(=O)c1cccc(CCC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000159377368 441807958 /nfs/dbraw/zinc/80/79/58/441807958.db2.gz CPDYKBBIMZIQIX-OAHLLOKOSA-N 1 0 331.460 1.827 20 70 EDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000160097885 441858670 /nfs/dbraw/zinc/85/86/70/441858670.db2.gz VIZKKEUJTABXKB-INIZCTEOSA-N 1 0 342.447 1.953 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160192959 441865262 /nfs/dbraw/zinc/86/52/62/441865262.db2.gz PJVJYCMMYLMFJZ-UHFFFAOYSA-N 1 0 334.420 1.645 20 70 EDIDRO O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160290359 441871521 /nfs/dbraw/zinc/87/15/21/441871521.db2.gz IUPREEFDXQPPHL-FPMFFAJLSA-N 1 0 349.381 1.671 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)no2)c1 ZINC000159717551 441832079 /nfs/dbraw/zinc/83/20/79/441832079.db2.gz STFNKCHPOXOUDF-RHSMWYFYSA-N 1 0 343.431 1.784 20 70 EDIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159756446 441835666 /nfs/dbraw/zinc/83/56/66/441835666.db2.gz RILBDLDUOMBGED-HZPDHXFCSA-N 1 0 347.463 1.200 20 70 EDIDRO CCc1c(C(=O)NCc2ccccc2C[NH+](C)C)[nH]c(C)c1C(N)=O ZINC000159827920 441840944 /nfs/dbraw/zinc/84/09/44/441840944.db2.gz MUPPEIUCOIEMCT-UHFFFAOYSA-N 1 0 342.443 1.976 20 70 EDIDRO COc1cc(Cl)ccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160615578 441901579 /nfs/dbraw/zinc/90/15/79/441901579.db2.gz FNBZAUGKCUNDFI-UHFFFAOYSA-N 1 0 326.824 1.783 20 70 EDIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000160832032 441926422 /nfs/dbraw/zinc/92/64/22/441926422.db2.gz NQYYLCPOPDLAER-NVXWUHKLSA-N 1 0 347.463 1.310 20 70 EDIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160664212 441907018 /nfs/dbraw/zinc/90/70/18/441907018.db2.gz IQNGPUWCBOSQEZ-OAHLLOKOSA-N 1 0 338.411 1.898 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000160714399 441912906 /nfs/dbraw/zinc/91/29/06/441912906.db2.gz FCECVIXRDDMPBZ-UHFFFAOYSA-N 1 0 328.416 1.511 20 70 EDIDRO CC[NH+]1CCN(CCC(=O)NCc2nc3c(cccc3C)[nH]2)CC1 ZINC000160468619 441886406 /nfs/dbraw/zinc/88/64/06/441886406.db2.gz PRTPFVIWPOEBKR-UHFFFAOYSA-N 1 0 329.448 1.515 20 70 EDIDRO CC(C)Cc1nc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000160472604 441886976 /nfs/dbraw/zinc/88/69/76/441886976.db2.gz BDAHFLQCGNFSPT-ZDUSSCGKSA-N 1 0 325.478 1.918 20 70 EDIDRO C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160479812 441887523 /nfs/dbraw/zinc/88/75/23/441887523.db2.gz MZHWYKSKFRLQNM-BEFAXECRSA-N 1 0 331.460 1.990 20 70 EDIDRO OCC1(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)COC1 ZINC000161048741 441950005 /nfs/dbraw/zinc/95/00/05/441950005.db2.gz LGHRWBSWNFDYCL-UONOGXRCSA-N 1 0 331.334 1.822 20 70 EDIDRO COc1ccc(-c2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)cc1 ZINC000161265541 441978794 /nfs/dbraw/zinc/97/87/94/441978794.db2.gz PJCMRTWCNPHHBL-SJLPKXTDSA-N 1 0 326.396 1.701 20 70 EDIDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(Br)c1 ZINC000161170000 441965833 /nfs/dbraw/zinc/96/58/33/441965833.db2.gz KFUPRGFWHBLRDH-LBPRGKRZSA-N 1 0 340.265 1.733 20 70 EDIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-c3ccncc3)[nH]c2=O)C1 ZINC000161348074 441988456 /nfs/dbraw/zinc/98/84/56/441988456.db2.gz RJYYHRGMBDOSJS-DYVFJYSZSA-N 1 0 340.427 1.895 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CC2 ZINC000161486951 442004711 /nfs/dbraw/zinc/00/47/11/442004711.db2.gz HUBVFCLZUKEQIF-HUUCEWRRSA-N 1 0 346.479 1.596 20 70 EDIDRO O=C(CN1C(=O)c2ccccc2C1=O)NCC[NH2+]C1CCCCCC1 ZINC000159683896 534514892 /nfs/dbraw/zinc/51/48/92/534514892.db2.gz YSYFYIOIHHWXAF-UHFFFAOYSA-N 1 0 343.427 1.711 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075658 534538880 /nfs/dbraw/zinc/53/88/80/534538880.db2.gz UZJNOLAQJDHPIZ-HIFRSBDPSA-N 1 0 349.406 1.215 20 70 EDIDRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160169144 526332634 /nfs/dbraw/zinc/33/26/34/526332634.db2.gz XUFZVMUFMKVHHR-ZDUSSCGKSA-N 1 0 339.461 1.327 20 70 EDIDRO CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160268428 527385661 /nfs/dbraw/zinc/38/56/61/527385661.db2.gz MDLZAOGAJYQEBS-NVXWUHKLSA-N 1 0 348.443 1.620 20 70 EDIDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000160363616 529145037 /nfs/dbraw/zinc/14/50/37/529145037.db2.gz WNNFKDBQXFYUCI-UHFFFAOYSA-N 1 0 342.447 1.229 20 70 EDIDRO CC[C@H]1Oc2cc([C@H](C)NC(=O)C[NH2+]CC3CC3)ccc2NC1=O ZINC000161376601 529335038 /nfs/dbraw/zinc/33/50/38/529335038.db2.gz MGTQHZDCEOHUSE-XHDPSFHLSA-N 1 0 331.416 1.973 20 70 EDIDRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCC[NH+](CC)CC)CC2 ZINC000161118760 138642480 /nfs/dbraw/zinc/64/24/80/138642480.db2.gz FTQKEOLUKSJQFV-LSDHHAIUSA-N 1 0 327.469 1.290 20 70 EDIDRO COC(=O)CCCOc1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160167416 533394789 /nfs/dbraw/zinc/39/47/89/533394789.db2.gz MKQXVWCZIPNSRL-OAHLLOKOSA-N 1 0 334.416 1.634 20 70 EDIDRO COc1cc(C)cc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000159848844 533636529 /nfs/dbraw/zinc/63/65/29/533636529.db2.gz VGCIFVDRPYXQDO-OAHLLOKOSA-N 1 0 334.464 1.439 20 70 EDIDRO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159739962 225268962 /nfs/dbraw/zinc/26/89/62/225268962.db2.gz QLYUFTQVSDPGIC-HOCLYGCPSA-N 1 0 333.432 1.420 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000160014113 225319924 /nfs/dbraw/zinc/31/99/24/225319924.db2.gz QXSKNZZWDZMNCC-UHFFFAOYSA-N 1 0 336.436 1.722 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000160251559 267499707 /nfs/dbraw/zinc/49/97/07/267499707.db2.gz GEMGHGVWWROWOR-OAHLLOKOSA-N 1 0 346.406 1.792 20 70 EDIDRO O=C(c1ccoc1)N1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000160038185 267499757 /nfs/dbraw/zinc/49/97/57/267499757.db2.gz NUGLDLIKKLSUFD-IYBDPMFKSA-N 1 0 331.416 1.485 20 70 EDIDRO CC1CCC(N2C[C@@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2=O)CC1 ZINC000160228057 267500486 /nfs/dbraw/zinc/50/04/86/267500486.db2.gz QVKOVOOQKKOMGA-LHJGCZIBSA-N 1 0 333.476 1.767 20 70 EDIDRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000161252547 272930660 /nfs/dbraw/zinc/93/06/60/272930660.db2.gz VOJUMTPOPOZKDP-RTBURBONSA-N 1 0 346.471 1.924 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000161204347 278088449 /nfs/dbraw/zinc/08/84/49/278088449.db2.gz HYEMXNDTBDCXJF-DAWZGUTISA-N 1 0 325.497 1.770 20 70 EDIDRO O=C(Cc1csc(-c2cnccn2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159374138 302917094 /nfs/dbraw/zinc/91/70/94/302917094.db2.gz NALUSIPWGNVGHY-TXEJJXNPSA-N 1 0 329.429 1.496 20 70 EDIDRO [NH3+]C1(CNC(=O)CCc2nc(-c3ccncc3)no2)CCCCC1 ZINC000159514283 441818373 /nfs/dbraw/zinc/81/83/73/441818373.db2.gz QWSOCPIGKUFYTQ-UHFFFAOYSA-N 1 0 329.404 1.842 20 70 EDIDRO Cn1cc(N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2=O)cn1 ZINC000159385779 441807879 /nfs/dbraw/zinc/80/78/79/441807879.db2.gz GOPQGCQDMBFTRG-INIZCTEOSA-N 1 0 341.415 1.076 20 70 EDIDRO CSC[C@@](C)(O)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000160125807 441860347 /nfs/dbraw/zinc/86/03/47/441860347.db2.gz RCLOPCWOGGOJQP-INIZCTEOSA-N 1 0 343.468 1.801 20 70 EDIDRO CCC(=O)c1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160313616 441871284 /nfs/dbraw/zinc/87/12/84/441871284.db2.gz UVPPETXUDNETCV-INIZCTEOSA-N 1 0 348.443 1.621 20 70 EDIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159623038 441824634 /nfs/dbraw/zinc/82/46/34/441824634.db2.gz WQUKYFLXLSNJHO-CABCVRRESA-N 1 0 348.495 1.890 20 70 EDIDRO CC[NH+]1CCN(CCC(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000159629963 441826469 /nfs/dbraw/zinc/82/64/69/441826469.db2.gz PTYXRKRKYJSPHG-UHFFFAOYSA-N 1 0 328.460 1.854 20 70 EDIDRO CC[C@H](CO)[NH+]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000159741172 441833699 /nfs/dbraw/zinc/83/36/99/441833699.db2.gz GQYCNUVUKPCUTL-CRAIPNDOSA-N 1 0 349.450 1.710 20 70 EDIDRO CC[NH+](CC)CC(=O)N1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000159795468 441838296 /nfs/dbraw/zinc/83/82/96/441838296.db2.gz ZHBMKTWSKGIWHS-UHFFFAOYSA-N 1 0 343.475 1.629 20 70 EDIDRO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000159903697 441846082 /nfs/dbraw/zinc/84/60/82/441846082.db2.gz NANYDLYVIXVJIP-MRXNPFEDSA-N 1 0 327.432 1.828 20 70 EDIDRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160706528 441911650 /nfs/dbraw/zinc/91/16/50/441911650.db2.gz VOJRQKNSNOSQJI-GUTXKFCHSA-N 1 0 335.473 1.855 20 70 EDIDRO O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000160432237 441882401 /nfs/dbraw/zinc/88/24/01/441882401.db2.gz DKLLHZCUQUATIV-STQMWFEESA-N 1 0 340.807 1.403 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000160495293 441890593 /nfs/dbraw/zinc/89/05/93/441890593.db2.gz ORDVGPXZFCLXHC-CYBMUJFWSA-N 1 0 339.461 1.247 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000160583280 441898405 /nfs/dbraw/zinc/89/84/05/441898405.db2.gz PRAVYLMSVKSNOH-OAHLLOKOSA-N 1 0 347.459 1.220 20 70 EDIDRO CC(C)c1noc(CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000161185911 441968629 /nfs/dbraw/zinc/96/86/29/441968629.db2.gz FIAIOZYIVJFWDZ-ZDUSSCGKSA-N 1 0 335.452 1.909 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160944597 441939626 /nfs/dbraw/zinc/93/96/26/441939626.db2.gz QVYSDDLYMGLWFU-HUUCEWRRSA-N 1 0 335.473 1.721 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000161005087 441945551 /nfs/dbraw/zinc/94/55/51/441945551.db2.gz IGGPYKZVGGPAHL-GOEBONIOSA-N 1 0 333.407 1.514 20 70 EDIDRO C[C@H](CNC(=O)NCCNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000161006049 441946601 /nfs/dbraw/zinc/94/66/01/441946601.db2.gz BFLDSEKXJXTZKN-CYBMUJFWSA-N 1 0 328.457 1.542 20 70 EDIDRO Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000161091137 441954927 /nfs/dbraw/zinc/95/49/27/441954927.db2.gz WTSOCYMTYDCNIA-AWEZNQCLSA-N 1 0 347.419 1.952 20 70 EDIDRO C[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000161116604 441959299 /nfs/dbraw/zinc/95/92/99/441959299.db2.gz UDPNMEDVMYGCCE-NSHDSACASA-N 1 0 344.381 1.991 20 70 EDIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)[C@@H](C)C1 ZINC000161133630 441960876 /nfs/dbraw/zinc/96/08/76/441960876.db2.gz DNRFJAKRTSYTMX-STQMWFEESA-N 1 0 335.452 1.352 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000161137891 441962111 /nfs/dbraw/zinc/96/21/11/441962111.db2.gz RVFFZTWDHRXPTI-ZDUSSCGKSA-N 1 0 330.388 1.558 20 70 EDIDRO C[C@H]1C[NH+](CCCNC(=O)c2cccc(-n3ccnn3)c2)C[C@H](C)O1 ZINC000161372512 441992860 /nfs/dbraw/zinc/99/28/60/441992860.db2.gz BSSMUKPYLSNSHP-GJZGRUSLSA-N 1 0 343.431 1.496 20 70 EDIDRO C[C@@H](C(=O)N1CCCC1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161408594 441996961 /nfs/dbraw/zinc/99/69/61/441996961.db2.gz YJKMCIHIGQZEAX-SFHVURJKSA-N 1 0 336.524 1.491 20 70 EDIDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cnn1-c1ccccc1 ZINC000161289279 441980511 /nfs/dbraw/zinc/98/05/11/441980511.db2.gz RUFGTCVLGHZWTM-AWEZNQCLSA-N 1 0 341.415 1.187 20 70 EDIDRO CC(C)[C@@H](CO)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161285962 441980900 /nfs/dbraw/zinc/98/09/00/441980900.db2.gz WMBXWVBVTCZBGE-WMLDXEAASA-N 1 0 334.464 1.923 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000161302956 441983190 /nfs/dbraw/zinc/98/31/90/441983190.db2.gz HCIMNUDIPVYRLD-HIFRSBDPSA-N 1 0 347.484 1.972 20 70 EDIDRO CNC(=O)c1cccc(CCC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000161496188 442005463 /nfs/dbraw/zinc/00/54/63/442005463.db2.gz QSEWOENZFOZZIR-DLBZAZTESA-N 1 0 331.460 1.968 20 70 EDIDRO O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000161490717 442004331 /nfs/dbraw/zinc/00/43/31/442004331.db2.gz OBWMZYNTXNNJGH-GXFFZTMASA-N 1 0 340.807 1.260 20 70 EDIDRO Cc1cccc2c1ncn(CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c2=O ZINC000160908825 486640096 /nfs/dbraw/zinc/64/00/96/486640096.db2.gz HPLKBXVUJJMLSN-KGLIPLIRSA-N 1 0 328.416 1.481 20 70 EDIDRO C[NH+](C)CCn1cc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cn1 ZINC000161488362 486644662 /nfs/dbraw/zinc/64/46/62/486644662.db2.gz RXDHBZSFRPALBU-HOTGVXAUSA-N 1 0 329.404 1.225 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2oc1=O ZINC000160255004 534538517 /nfs/dbraw/zinc/53/85/17/534538517.db2.gz RXMJCOFHPPJGSU-CQSZACIVSA-N 1 0 330.384 1.370 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000160036839 534756094 /nfs/dbraw/zinc/75/60/94/534756094.db2.gz GLLIZJUVJVVEFB-GFCCVEGCSA-N 1 0 348.428 1.936 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000160530633 528946731 /nfs/dbraw/zinc/94/67/31/528946731.db2.gz IMJOPNYKLVAUBN-UHFFFAOYSA-N 1 0 341.477 1.621 20 70 EDIDRO C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)CC(C)(CO)CO ZINC000159556707 529938721 /nfs/dbraw/zinc/93/87/21/529938721.db2.gz QNXMIEMBQMANQB-UHFFFAOYSA-N 1 0 339.823 1.855 20 70 EDIDRO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C2CC2)cc1F ZINC000160816794 540026846 /nfs/dbraw/zinc/02/68/46/540026846.db2.gz PFSMBZDGRSWCQI-LRDDRELGSA-N 1 0 338.423 1.884 20 70 EDIDRO CN1C[C@H]([NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)CCC1=O ZINC000161206418 283246037 /nfs/dbraw/zinc/24/60/37/283246037.db2.gz LAXZTWQLFCZEDS-AEFFLSMTSA-N 1 0 329.444 1.951 20 70 EDIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000159537430 138637248 /nfs/dbraw/zinc/63/72/48/138637248.db2.gz ALTXOYAFRXDYOY-MJGOQNOKSA-N 1 0 345.487 1.878 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)n1 ZINC000160919724 138641665 /nfs/dbraw/zinc/64/16/65/138641665.db2.gz HARGMZNNZIFDTJ-UHFFFAOYSA-N 1 0 335.452 1.326 20 70 EDIDRO COc1ccc2c(c1)C=C(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)CO2 ZINC000160236364 533242717 /nfs/dbraw/zinc/24/27/17/533242717.db2.gz KBTBDWPPUXLNJZ-MRXNPFEDSA-N 1 0 346.427 1.434 20 70 EDIDRO COC(=O)CCCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160121308 533397443 /nfs/dbraw/zinc/39/74/43/533397443.db2.gz HMFRMDHXXAMQGQ-CQSZACIVSA-N 1 0 332.466 1.220 20 70 EDIDRO [NH3+]C1(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCCCC1 ZINC000159574777 225242641 /nfs/dbraw/zinc/24/26/41/225242641.db2.gz HTQXGVNEZWUVRE-QGZVFWFLSA-N 1 0 343.471 1.998 20 70 EDIDRO O=C(Cc1ccc(F)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160253245 225372401 /nfs/dbraw/zinc/37/24/01/225372401.db2.gz ZFSOZMZVPSTKGG-AWEZNQCLSA-N 1 0 328.815 1.985 20 70 EDIDRO O=C(COc1ccc2c(c1)CCCC2)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160061766 225329937 /nfs/dbraw/zinc/32/99/37/225329937.db2.gz UNTLUTVZXGDXNU-SFHVURJKSA-N 1 0 346.471 1.907 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000160648585 225445018 /nfs/dbraw/zinc/44/50/18/225445018.db2.gz PKFCWMDQZIOIEM-ZDUSSCGKSA-N 1 0 338.452 1.967 20 70 EDIDRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160440516 272929633 /nfs/dbraw/zinc/92/96/33/272929633.db2.gz TYXZZLFCBJKGLI-JONQDZQNSA-N 1 0 336.480 1.559 20 70 EDIDRO COc1c(C)cnc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1C ZINC000159419734 274087926 /nfs/dbraw/zinc/08/79/26/274087926.db2.gz GSHATYPOFMCPNS-KRWDZBQOSA-N 1 0 346.475 1.621 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000161299679 277284019 /nfs/dbraw/zinc/28/40/19/277284019.db2.gz FNMHGINIYJNYMU-UONOGXRCSA-N 1 0 331.416 1.401 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cncc(Br)c1 ZINC000160362114 279857166 /nfs/dbraw/zinc/85/71/66/279857166.db2.gz KEFIZVDNVSORBQ-ZDUSSCGKSA-N 1 0 342.237 1.421 20 70 EDIDRO Cc1ccc2ncc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)c(=O)n2c1 ZINC000161221579 281166615 /nfs/dbraw/zinc/16/66/15/281166615.db2.gz DYMIBIBCKXOBQY-DZGCQCFKSA-N 1 0 328.416 1.461 20 70 EDIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000160071672 302920013 /nfs/dbraw/zinc/92/00/13/302920013.db2.gz VAVWVJSDJFASSB-HZPDHXFCSA-N 1 0 347.463 1.200 20 70 EDIDRO Cc1ccoc1C(=O)NCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000159454357 441815523 /nfs/dbraw/zinc/81/55/23/441815523.db2.gz YARIEHHAXPHRPM-AWEZNQCLSA-N 1 0 336.436 1.349 20 70 EDIDRO CCCCc1noc([C@H](C)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000159398553 441809336 /nfs/dbraw/zinc/80/93/36/441809336.db2.gz AXIDKZGQLAYHGS-DZGCQCFKSA-N 1 0 349.479 1.887 20 70 EDIDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159465537 441815079 /nfs/dbraw/zinc/81/50/79/441815079.db2.gz WEWQSDQOQBOMGD-KKUMJFAQSA-N 1 0 326.437 1.023 20 70 EDIDRO Cn1c(=O)cccc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000160327596 441873038 /nfs/dbraw/zinc/87/30/38/441873038.db2.gz WEFBZVZNOGSELR-UHFFFAOYSA-N 1 0 343.402 1.919 20 70 EDIDRO CCOC(=O)COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159649282 441827062 /nfs/dbraw/zinc/82/70/62/441827062.db2.gz RXRGNAMFXYYDBL-ZFWWWQNUSA-N 1 0 334.416 1.714 20 70 EDIDRO O=C(C[C@@H]1Sc2ccccc2NC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160350626 441873752 /nfs/dbraw/zinc/87/37/52/441873752.db2.gz LTOBGFURFZWFKT-ZOWXZIJZSA-N 1 0 331.441 1.842 20 70 EDIDRO CC(C)C[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000159838667 441842034 /nfs/dbraw/zinc/84/20/34/441842034.db2.gz LLOPEIFTSZKIFM-LSDHHAIUSA-N 1 0 326.485 1.663 20 70 EDIDRO CC(C)[C@H](CNC(=O)NC[C@]1(C)CCCS1)[NH+]1CCN(C)CC1 ZINC000159906763 441846034 /nfs/dbraw/zinc/84/60/34/441846034.db2.gz DWSBPNRUARHQDE-RDJZCZTQSA-N 1 0 342.553 1.843 20 70 EDIDRO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)n1 ZINC000159909437 441846514 /nfs/dbraw/zinc/84/65/14/441846514.db2.gz HCOIWMKCCYWHEV-IYBDPMFKSA-N 1 0 325.416 1.851 20 70 EDIDRO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935737 441847739 /nfs/dbraw/zinc/84/77/39/441847739.db2.gz BESDHUPRPGGLTC-UONOGXRCSA-N 1 0 331.420 1.459 20 70 EDIDRO CC[C@@H](CNC(=O)C1(NC(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000159947627 441849123 /nfs/dbraw/zinc/84/91/23/441849123.db2.gz KDBVFRURVIGDRV-HNNXBMFYSA-N 1 0 330.432 1.140 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159966055 441851436 /nfs/dbraw/zinc/85/14/36/441851436.db2.gz OOJPPTUCGXQJFY-HNNXBMFYSA-N 1 0 344.415 1.903 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000160032336 441855548 /nfs/dbraw/zinc/85/55/48/441855548.db2.gz ZPIPCBYEIJQVLV-AWEZNQCLSA-N 1 0 330.388 1.211 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000160608699 441901871 /nfs/dbraw/zinc/90/18/71/441901871.db2.gz VKFHTCBTDZDWSO-CYBMUJFWSA-N 1 0 336.436 1.865 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccn(CC(F)(F)F)n1 ZINC000160626968 441903311 /nfs/dbraw/zinc/90/33/11/441903311.db2.gz OPDNWFWIRQEPIJ-UHFFFAOYSA-N 1 0 349.357 1.271 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160690801 441909834 /nfs/dbraw/zinc/90/98/34/441909834.db2.gz CZVNMWCXGZASAS-NVXWUHKLSA-N 1 0 349.406 1.282 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(OC(F)F)c1 ZINC000160697056 441910304 /nfs/dbraw/zinc/91/03/04/441910304.db2.gz QRYABZJTWDWBIW-UHFFFAOYSA-N 1 0 328.359 1.722 20 70 EDIDRO Cc1cc2ccccc2n1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160693961 441910976 /nfs/dbraw/zinc/91/09/76/441910976.db2.gz DSIKIBHSRLOMOJ-QGZVFWFLSA-N 1 0 329.444 1.913 20 70 EDIDRO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000160409732 441879593 /nfs/dbraw/zinc/87/95/93/441879593.db2.gz ZBHXUCIYSPFGTQ-QGPMSJSTSA-N 1 0 349.500 1.817 20 70 EDIDRO Cc1nc2ccccn2c1C[N@@H+](C)C[C@@H](O)COCCOC(C)C ZINC000160464885 441886488 /nfs/dbraw/zinc/88/64/88/441886488.db2.gz CNLQIKBXYWQIKM-MRXNPFEDSA-N 1 0 335.448 1.877 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000160495151 441889840 /nfs/dbraw/zinc/88/98/40/441889840.db2.gz ORDVGPXZFCLXHC-ZDUSSCGKSA-N 1 0 339.461 1.247 20 70 EDIDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc(C(N)=O)nn1 ZINC000161188994 441969793 /nfs/dbraw/zinc/96/97/93/441969793.db2.gz VSHWEEYICDJCIC-UHFFFAOYSA-N 1 0 327.432 1.924 20 70 EDIDRO CCC[C@@H]1C[C@@H]1NC(=O)C[C@]1(C(=O)N[C@@H]2C[C@@H]2CCC)CC[NH2+]C1 ZINC000161256338 441976995 /nfs/dbraw/zinc/97/69/95/441976995.db2.gz WOJPNEHJJVQYCJ-LAIHZFQQSA-N 1 0 335.492 1.966 20 70 EDIDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)o1 ZINC000161039821 441949740 /nfs/dbraw/zinc/94/97/40/441949740.db2.gz SJBUANDFFIYPKB-GFCCVEGCSA-N 1 0 329.400 1.908 20 70 EDIDRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000161448774 442000203 /nfs/dbraw/zinc/00/02/03/442000203.db2.gz QSLAQLQPBMHGCK-ZDUSSCGKSA-N 1 0 344.452 1.539 20 70 EDIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000161297691 441982252 /nfs/dbraw/zinc/98/22/52/441982252.db2.gz IFTKZRMQNVBAPO-CQSZACIVSA-N 1 0 338.415 1.686 20 70 EDIDRO CCCN(C)S(=O)(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000161337036 441986851 /nfs/dbraw/zinc/98/68/51/441986851.db2.gz AQAIIVCBNCGROB-INIZCTEOSA-N 1 0 341.477 1.236 20 70 EDIDRO COc1cc([C@@H](C)[NH2+]C2CCN(C)CC2)ccc1S(C)(=O)=O ZINC000161469608 442003390 /nfs/dbraw/zinc/00/33/90/442003390.db2.gz HAVWNPGIEKMOOI-GFCCVEGCSA-N 1 0 326.462 1.844 20 70 EDIDRO COCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[C@H]2O)CC1 ZINC000160570526 318422328 /nfs/dbraw/zinc/42/23/28/318422328.db2.gz LLETZPQBPGOANA-GDBMZVCRSA-N 1 0 327.469 1.290 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC000160813900 486638567 /nfs/dbraw/zinc/63/85/67/486638567.db2.gz GTWOBQBYYOYNTG-OLZOCXBDSA-N 1 0 335.473 1.743 20 70 EDIDRO COc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1N1CCNC1=O ZINC000161247492 486643641 /nfs/dbraw/zinc/64/36/41/486643641.db2.gz MBDVBZVHIGMRLF-STQMWFEESA-N 1 0 332.404 1.225 20 70 EDIDRO O=C(CCCOc1ccc(F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160093614 534365702 /nfs/dbraw/zinc/36/57/02/534365702.db2.gz GTQGDEAWEOZVTB-INIZCTEOSA-N 1 0 338.423 1.948 20 70 EDIDRO O=C(Cc1csc(-c2ccoc2)n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160136138 534749271 /nfs/dbraw/zinc/74/92/71/534749271.db2.gz YOIQZHUFOIEQAY-HNNXBMFYSA-N 1 0 349.456 1.909 20 70 EDIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COC1CCOCC1 ZINC000159920810 528914554 /nfs/dbraw/zinc/91/45/54/528914554.db2.gz MOYVVCAKANDCIC-CQSZACIVSA-N 1 0 328.478 1.953 20 70 EDIDRO CC[NH+]1CCN(CCNC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000160080610 529145919 /nfs/dbraw/zinc/14/59/19/529145919.db2.gz ASNFNOAOAQIOOH-UHFFFAOYSA-N 1 0 346.475 1.011 20 70 EDIDRO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1OC ZINC000218679998 536939263 /nfs/dbraw/zinc/93/92/63/536939263.db2.gz QTUXYANNASKVNT-HZPDHXFCSA-N 1 0 348.443 1.824 20 70 EDIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160362633 540022995 /nfs/dbraw/zinc/02/29/95/540022995.db2.gz OPALSFKNNDGRDI-QGZVFWFLSA-N 1 0 331.464 1.393 20 70 EDIDRO Cn1c2ccccc2n(CCC(=O)NCC2([NH3+])CCCCC2)c1=O ZINC000159592036 225244857 /nfs/dbraw/zinc/24/48/57/225244857.db2.gz GLILNLVLTGIBSP-UHFFFAOYSA-N 1 0 330.432 1.508 20 70 EDIDRO [NH3+]C[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000160189716 225357492 /nfs/dbraw/zinc/35/74/92/225357492.db2.gz ALAHBGYHTPKFJN-JTQLQIEISA-N 1 0 330.215 1.673 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncccc1S(N)(=O)=O ZINC000160238371 225367609 /nfs/dbraw/zinc/36/76/09/225367609.db2.gz MGGZVBKDENLCDK-ZFWWWQNUSA-N 1 0 346.456 1.661 20 70 EDIDRO COc1ccccc1OCCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160500845 272929918 /nfs/dbraw/zinc/92/99/18/272929918.db2.gz UILVSNNQGAKWEU-HNNXBMFYSA-N 1 0 336.432 1.427 20 70 EDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCNC(=O)CC2)CC1 ZINC000161320028 279618096 /nfs/dbraw/zinc/61/80/96/279618096.db2.gz BPJPHZZJDQNFMC-CQSZACIVSA-N 1 0 345.447 1.139 20 70 EDIDRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159544404 441819566 /nfs/dbraw/zinc/81/95/66/441819566.db2.gz NMCMOTUYDPMWHJ-IAGOWNOFSA-N 1 0 338.496 1.269 20 70 EDIDRO C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1 ZINC000159590457 441823018 /nfs/dbraw/zinc/82/30/18/441823018.db2.gz INRXRVDIAWVYJQ-HYVNUMGLSA-N 1 0 346.475 1.850 20 70 EDIDRO C[NH+](C)CCn1ccc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)n1 ZINC000160079740 441856780 /nfs/dbraw/zinc/85/67/80/441856780.db2.gz UMGFJWJSOHLHLK-HUUCEWRRSA-N 1 0 337.468 1.898 20 70 EDIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000160614728 441902292 /nfs/dbraw/zinc/90/22/92/441902292.db2.gz FXCSRAMXPGTLAA-DLBZAZTESA-N 1 0 342.443 1.353 20 70 EDIDRO C[N@@H+]1CC[C@H](CNC(=O)c2cncc(I)c2)C1 ZINC000160657128 441905575 /nfs/dbraw/zinc/90/55/75/441905575.db2.gz XGDRWPKTUAIODH-SECBINFHSA-N 1 0 345.184 1.368 20 70 EDIDRO O=C(CSc1nc2ccccc2o1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160700852 441910919 /nfs/dbraw/zinc/91/09/19/441910919.db2.gz ZNTFCBHWOMQQOP-CYBMUJFWSA-N 1 0 349.456 1.883 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160774617 441919520 /nfs/dbraw/zinc/91/95/20/441919520.db2.gz VWORCMWLSWFCNC-HNNXBMFYSA-N 1 0 341.477 1.799 20 70 EDIDRO C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000160850593 441927110 /nfs/dbraw/zinc/92/71/10/441927110.db2.gz LKSVDCVJCYAGGE-HNNXBMFYSA-N 1 0 341.411 1.690 20 70 EDIDRO CC(C)COC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160803419 441922815 /nfs/dbraw/zinc/92/28/15/441922815.db2.gz ZUSYTVMNQIANID-GOEBONIOSA-N 1 0 327.469 1.336 20 70 EDIDRO O=C(C[C@H]1C(=O)Nc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160417301 441880413 /nfs/dbraw/zinc/88/04/13/441880413.db2.gz MKZFJAUCSAOAMF-DZGCQCFKSA-N 1 0 331.416 1.075 20 70 EDIDRO Cc1ccc(N2CC[C@@H](N3CC[NH+](CC(C)(C)O)CC3)C2=O)cc1 ZINC000160428065 441881773 /nfs/dbraw/zinc/88/17/73/441881773.db2.gz KYRSFRUCLSXOGP-QGZVFWFLSA-N 1 0 331.460 1.489 20 70 EDIDRO CC(=O)Nc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160493142 441889004 /nfs/dbraw/zinc/88/90/04/441889004.db2.gz AKPQNLCTGPWYRH-QGZVFWFLSA-N 1 0 333.432 1.151 20 70 EDIDRO C[C@@H](CCOc1ccccc1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160530892 441893091 /nfs/dbraw/zinc/89/30/91/441893091.db2.gz ZRXKQWTYGYAWRF-INIZCTEOSA-N 1 0 334.460 1.912 20 70 EDIDRO COCCC[NH+]1CCC(NC(=O)NCCc2ccncc2C)CC1 ZINC000160569859 441897434 /nfs/dbraw/zinc/89/74/34/441897434.db2.gz IDIBNNANCKANSU-UHFFFAOYSA-N 1 0 334.464 1.733 20 70 EDIDRO CCOc1ccccc1[C@@H](CC(=O)N1CC[C@@H]([NH2+]C)C1)NC(C)=O ZINC000160578761 441898818 /nfs/dbraw/zinc/89/88/18/441898818.db2.gz KYKGOLABBXCPSY-GDBMZVCRSA-N 1 0 333.432 1.473 20 70 EDIDRO CC(C)NC(=O)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000161182278 441968528 /nfs/dbraw/zinc/96/85/28/441968528.db2.gz RCDQWHKOUKFFHK-UHFFFAOYSA-N 1 0 329.444 1.993 20 70 EDIDRO Cc1cc(Cl)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000160860750 441928474 /nfs/dbraw/zinc/92/84/74/441928474.db2.gz UWUZGSBQPDUBCM-CYBMUJFWSA-N 1 0 337.851 1.966 20 70 EDIDRO COCCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000160854888 441928531 /nfs/dbraw/zinc/92/85/31/441928531.db2.gz PSEHWFQLJZOZFE-HZPDHXFCSA-N 1 0 338.496 1.365 20 70 EDIDRO COC(=O)C(C)(C)c1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000161040776 441949435 /nfs/dbraw/zinc/94/94/35/441949435.db2.gz CBZAQCPXWHSZNA-HNNXBMFYSA-N 1 0 334.416 1.844 20 70 EDIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161059959 441950675 /nfs/dbraw/zinc/95/06/75/441950675.db2.gz DFCKRRNYNWBUDU-LSDHHAIUSA-N 1 0 332.452 1.253 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000161131297 441961265 /nfs/dbraw/zinc/96/12/65/441961265.db2.gz FIKZWDYBWNJIMZ-KRWDZBQOSA-N 1 0 340.427 1.618 20 70 EDIDRO C[C@@H](CNC(=O)c1cccc2c1oc(=O)n2C)[NH+]1CCC(C)CC1 ZINC000161381377 441992305 /nfs/dbraw/zinc/99/23/05/441992305.db2.gz CRLLTYSLLGDQMX-ZDUSSCGKSA-N 1 0 331.416 1.982 20 70 EDIDRO C[C@]1(O)CCCN(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000161469263 442003115 /nfs/dbraw/zinc/00/31/15/442003115.db2.gz IEYFKKOWXWCXDI-IBGZPJMESA-N 1 0 346.475 1.645 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000161503875 442006145 /nfs/dbraw/zinc/00/61/45/442006145.db2.gz JLJAWTVFNCVOSS-HUUCEWRRSA-N 1 0 348.495 1.700 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000160790797 486638711 /nfs/dbraw/zinc/63/87/11/486638711.db2.gz OOUZFGGMBHUUOW-GHMZBOCLSA-N 1 0 343.349 1.821 20 70 EDIDRO CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000159466645 527293906 /nfs/dbraw/zinc/29/39/06/527293906.db2.gz MCYVXIBWXLAQGC-HNNXBMFYSA-N 1 0 345.443 1.922 20 70 EDIDRO CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1(OC)CC[NH2+]CC1 ZINC000161061904 527918332 /nfs/dbraw/zinc/91/83/32/527918332.db2.gz HNJHPMZHZSJKDK-UHFFFAOYSA-N 1 0 347.459 1.859 20 70 EDIDRO CC(C)n1ncc2cc(C=CC(=O)N3CCC[C@@H]3C[NH3+])c(=O)[nH]c21 ZINC000160341722 528658090 /nfs/dbraw/zinc/65/80/90/528658090.db2.gz GGTQQLABPQHUPY-VBROQKIQSA-N 1 0 329.404 1.268 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC000159710002 529023622 /nfs/dbraw/zinc/02/36/22/529023622.db2.gz SZAOXMJHCKYHQS-UHFFFAOYSA-N 1 0 332.448 1.382 20 70 EDIDRO CC(C)N1CC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1=O ZINC000160038956 529079755 /nfs/dbraw/zinc/07/97/55/529079755.db2.gz GGOZGJHIYOHTKF-INIZCTEOSA-N 1 0 329.444 1.433 20 70 EDIDRO CCOCCO[C@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000160693855 540024895 /nfs/dbraw/zinc/02/48/95/540024895.db2.gz XAFBNTGSWNRFAG-HNNXBMFYSA-N 1 0 339.440 1.104 20 70 EDIDRO C[C@]1(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CCC[NH2+]C1 ZINC000161374674 138643306 /nfs/dbraw/zinc/64/33/06/138643306.db2.gz WBJVYCCDJOEJAS-SFHVURJKSA-N 1 0 326.400 1.620 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000159473612 206247940 /nfs/dbraw/zinc/24/79/40/206247940.db2.gz WEGSDNDNBPISJX-AWEZNQCLSA-N 1 0 347.463 1.180 20 70 EDIDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159717996 206260347 /nfs/dbraw/zinc/26/03/47/206260347.db2.gz DUBJYVCOELAHHB-AWEZNQCLSA-N 1 0 330.388 1.127 20 70 EDIDRO CN(CC(=O)N1CCC([NH2+]CC2CC2)CC1)C(=O)c1cccs1 ZINC000159798472 206263442 /nfs/dbraw/zinc/26/34/42/206263442.db2.gz LWJISJNDZYIHCH-UHFFFAOYSA-N 1 0 335.473 1.811 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000159907591 206270403 /nfs/dbraw/zinc/27/04/03/206270403.db2.gz PZRXRJXOFYHMKI-QGZVFWFLSA-N 1 0 344.459 1.838 20 70 EDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160123369 206279962 /nfs/dbraw/zinc/27/99/62/206279962.db2.gz MGELAOBICGCLPB-RHSMWYFYSA-N 1 0 344.459 1.556 20 70 EDIDRO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160398480 206293853 /nfs/dbraw/zinc/29/38/53/206293853.db2.gz HVCAEZWWIDMFEW-GOSISDBHSA-N 1 0 333.476 1.386 20 70 EDIDRO COc1cccc(SCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160440917 206297716 /nfs/dbraw/zinc/29/77/16/206297716.db2.gz KDXSLEZAFXLHQT-CQSZACIVSA-N 1 0 338.473 1.750 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1 ZINC000160693840 206308012 /nfs/dbraw/zinc/30/80/12/206308012.db2.gz UUNZURFTNZBAAL-DOMZBBRYSA-N 1 0 329.400 1.128 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160704016 206309546 /nfs/dbraw/zinc/30/95/46/206309546.db2.gz ZOSOERYLTWEENY-VXGBXAGGSA-N 1 0 336.436 1.794 20 70 EDIDRO Cn1cc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c(C(F)(F)F)n1 ZINC000160813783 206313961 /nfs/dbraw/zinc/31/39/61/206313961.db2.gz SYZHWBCDKQPHKX-NSHDSACASA-N 1 0 333.358 1.675 20 70 EDIDRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000160918250 206317713 /nfs/dbraw/zinc/31/77/13/206317713.db2.gz LIBZQJKCSPCNQE-UHFFFAOYSA-N 1 0 338.839 1.830 20 70 EDIDRO O=C(C1CC[NH2+]CC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000161180797 206332904 /nfs/dbraw/zinc/33/29/04/206332904.db2.gz FRKFUFXJJLLGPJ-UHFFFAOYSA-N 1 0 335.835 1.510 20 70 EDIDRO CC(C)[C@H](O)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161316606 206340816 /nfs/dbraw/zinc/34/08/16/206340816.db2.gz CVWQKPKIUGBOOZ-WMLDXEAASA-N 1 0 334.464 1.923 20 70 EDIDRO Cn1cc(-c2ncc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)s2)cn1 ZINC000160466629 272929736 /nfs/dbraw/zinc/92/97/36/272929736.db2.gz GAGZIYPRTITUCZ-ZDUSSCGKSA-N 1 0 349.460 1.120 20 70 EDIDRO CN1C[C@@H]([NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)CCC1=O ZINC000161206537 290278661 /nfs/dbraw/zinc/27/86/61/290278661.db2.gz LAXZTWQLFCZEDS-WMZOPIPTSA-N 1 0 329.444 1.951 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000160092629 302920403 /nfs/dbraw/zinc/92/04/03/302920403.db2.gz YEVWPRGDKJNSTN-UHFFFAOYSA-N 1 0 344.415 1.862 20 70 EDIDRO CSC[C@](C)(O)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000160125650 441860280 /nfs/dbraw/zinc/86/02/80/441860280.db2.gz RCLOPCWOGGOJQP-MRXNPFEDSA-N 1 0 343.468 1.801 20 70 EDIDRO CC[N@H+](CCNC(=O)c1cc(N2CCNC2=O)ccc1F)C(C)C ZINC000160175775 441864297 /nfs/dbraw/zinc/86/42/97/441864297.db2.gz ZDDRXUZLUNCTDX-UHFFFAOYSA-N 1 0 336.411 1.815 20 70 EDIDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000160198605 441865273 /nfs/dbraw/zinc/86/52/73/441865273.db2.gz AEMFCAJOIBQIAC-UHFFFAOYSA-N 1 0 347.415 1.740 20 70 EDIDRO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)NC(=O)C1CCCC1 ZINC000160323954 441872729 /nfs/dbraw/zinc/87/27/29/441872729.db2.gz MRWNFHUJHWNBAU-GDBMZVCRSA-N 1 0 339.480 1.034 20 70 EDIDRO Cc1cnn(Cc2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)no2)c1 ZINC000159717689 441832151 /nfs/dbraw/zinc/83/21/51/441832151.db2.gz STFNKCHPOXOUDF-PBHICJAKSA-N 1 0 343.431 1.784 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000159782739 441838308 /nfs/dbraw/zinc/83/83/08/441838308.db2.gz PUWXKLIPMVLTAZ-GOEBONIOSA-N 1 0 336.480 1.417 20 70 EDIDRO CCCC[N@H+](C)CCNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000159950054 441849467 /nfs/dbraw/zinc/84/94/67/441849467.db2.gz IVCVXIIDMQJGAR-UHFFFAOYSA-N 1 0 336.411 1.817 20 70 EDIDRO C[NH+](C)CCn1ccc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)n1 ZINC000160079469 441857130 /nfs/dbraw/zinc/85/71/30/441857130.db2.gz UMGFJWJSOHLHLK-CABCVRRESA-N 1 0 337.468 1.898 20 70 EDIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000160424360 441880425 /nfs/dbraw/zinc/88/04/25/441880425.db2.gz HSPJUKMDNSWCPZ-CQSZACIVSA-N 1 0 349.523 1.910 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000160457943 441886109 /nfs/dbraw/zinc/88/61/09/441886109.db2.gz OTAIBOPVYFYEEM-SMDDNHRTSA-N 1 0 349.460 1.160 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000160879798 441931436 /nfs/dbraw/zinc/93/14/36/441931436.db2.gz SHKDXAFTAQSYFR-KGLIPLIRSA-N 1 0 348.447 1.958 20 70 EDIDRO CCOCCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160893554 441932653 /nfs/dbraw/zinc/93/26/53/441932653.db2.gz ISMMIJVFKXYGHX-MRXNPFEDSA-N 1 0 338.496 1.367 20 70 EDIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(NC(N)=O)CC1 ZINC000160979829 441942732 /nfs/dbraw/zinc/94/27/32/441942732.db2.gz ZJICUIVRLWPLKH-OAHLLOKOSA-N 1 0 339.484 1.339 20 70 EDIDRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000161281192 486643632 /nfs/dbraw/zinc/64/36/32/486643632.db2.gz PFJOJINPIJVNCL-YWPYICTPSA-N 1 0 339.386 1.918 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000159636286 206256490 /nfs/dbraw/zinc/25/64/90/206256490.db2.gz NHOXFDXGHDGVNT-LBPRGKRZSA-N 1 0 326.441 1.662 20 70 EDIDRO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159582161 206253477 /nfs/dbraw/zinc/25/34/77/206253477.db2.gz PHDAOJCPXBDOAM-RDJZCZTQSA-N 1 0 347.459 1.485 20 70 EDIDRO [NH3+]CCCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000160136025 206281233 /nfs/dbraw/zinc/28/12/33/206281233.db2.gz BWEIKIBAVWYESL-LBPRGKRZSA-N 1 0 345.321 1.546 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000160462537 206298770 /nfs/dbraw/zinc/29/87/70/206298770.db2.gz UDPSJLISDMJVCH-UHFFFAOYSA-N 1 0 339.461 1.104 20 70 EDIDRO COc1ccc([C@@H](CNC(=O)N2CC[C@H](CO)C2)[NH+]2CCCC2)cc1 ZINC000160821982 206315579 /nfs/dbraw/zinc/31/55/79/206315579.db2.gz JBFJNJZJSHJUSX-MAUKXSAKSA-N 1 0 347.459 1.856 20 70 EDIDRO COC(=O)CCCc1nnc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000161213673 206335393 /nfs/dbraw/zinc/33/53/93/206335393.db2.gz NZOLLPPQFHUSSD-LBPRGKRZSA-N 1 0 348.428 1.542 20 70 EDIDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CNC(=O)c2cccnc2)C1 ZINC000161353838 206342645 /nfs/dbraw/zinc/34/26/45/206342645.db2.gz BSXSBPRZWRCBDN-GASCZTMLSA-N 1 0 346.475 1.684 20 70 EDIDRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000161423518 206348399 /nfs/dbraw/zinc/34/83/99/206348399.db2.gz ACXXAOKCUKKPTO-HNNXBMFYSA-N 1 0 340.489 1.708 20 70 EDIDRO CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000160178160 277053149 /nfs/dbraw/zinc/05/31/49/277053149.db2.gz MGPLXPLBJLNSRE-BXUZGUMPSA-N 1 0 325.359 1.482 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000160478666 277392766 /nfs/dbraw/zinc/39/27/66/277392766.db2.gz UJZORPOWAOVVCN-OAGGEKHMSA-N 1 0 349.475 1.398 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000159846991 279286246 /nfs/dbraw/zinc/28/62/46/279286246.db2.gz JGVAXESWFVMETA-CQSZACIVSA-N 1 0 340.468 1.733 20 70 EDIDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161433744 289014829 /nfs/dbraw/zinc/01/48/29/289014829.db2.gz OYXOHADQYKVTLI-KRWDZBQOSA-N 1 0 332.444 1.961 20 70 EDIDRO CC(C)OC(=O)CCCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000159376201 441807992 /nfs/dbraw/zinc/80/79/92/441807992.db2.gz FOLPVVWMTICXOG-MRXNPFEDSA-N 1 0 328.453 1.628 20 70 EDIDRO CNC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000160160765 441862874 /nfs/dbraw/zinc/86/28/74/441862874.db2.gz HUJWXCFZZKQEEO-OAHLLOKOSA-N 1 0 339.461 1.232 20 70 EDIDRO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160281748 441870229 /nfs/dbraw/zinc/87/02/29/441870229.db2.gz RVICWIUQHMTBMP-IAGOWNOFSA-N 1 0 338.496 1.223 20 70 EDIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000160304539 441870946 /nfs/dbraw/zinc/87/09/46/441870946.db2.gz GOEMNPBZUPKSJC-QLFBSQMISA-N 1 0 333.498 1.050 20 70 EDIDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159680506 441829407 /nfs/dbraw/zinc/82/94/07/441829407.db2.gz ICPGWLMUOJPPHC-QLFBSQMISA-N 1 0 333.436 1.620 20 70 EDIDRO O=C(c1ccc(-n2cncn2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159769640 441837287 /nfs/dbraw/zinc/83/72/87/441837287.db2.gz ASUSRJWRPVVFMF-UHFFFAOYSA-N 1 0 325.416 1.872 20 70 EDIDRO COc1ccsc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000159816812 441840364 /nfs/dbraw/zinc/84/03/64/441840364.db2.gz FGVINDJWIYESIN-UHFFFAOYSA-N 1 0 325.415 1.797 20 70 EDIDRO CC(C)([NH3+])CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000159955214 441850013 /nfs/dbraw/zinc/85/00/13/441850013.db2.gz AOJBRKCXGLHVGK-NSHDSACASA-N 1 0 327.837 1.996 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]1CO ZINC000160018927 441854464 /nfs/dbraw/zinc/85/44/64/441854464.db2.gz OIXQFBZAISLHAG-HPBDAGMYSA-N 1 0 331.460 1.967 20 70 EDIDRO CN(C(=O)[C@H]1CCC(=O)N1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160839174 441926642 /nfs/dbraw/zinc/92/66/42/441926642.db2.gz GHGGVCVTBYEJFT-MRXNPFEDSA-N 1 0 331.416 1.403 20 70 EDIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000160755762 441916534 /nfs/dbraw/zinc/91/65/34/441916534.db2.gz MWLGRDUNUCTGIQ-QWHCGFSZSA-N 1 0 330.432 1.717 20 70 EDIDRO CCc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cnn1CC(C)C ZINC000160428515 441881371 /nfs/dbraw/zinc/88/13/71/441881371.db2.gz ZMZDSSGHNOEFTI-HNNXBMFYSA-N 1 0 336.480 1.678 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1CC ZINC000160440753 441882995 /nfs/dbraw/zinc/88/29/95/441882995.db2.gz NTKOGTNJODVVFN-BLLLJJGKSA-N 1 0 349.479 1.376 20 70 EDIDRO O=C(c1cccc(CN2CCCC2=O)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160528253 441892366 /nfs/dbraw/zinc/89/23/66/441892366.db2.gz LQVTVNFFXGHJGP-CALCHBBNSA-N 1 0 327.428 1.776 20 70 EDIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000160558405 441896384 /nfs/dbraw/zinc/89/63/84/441896384.db2.gz ZCJLSRWPGSJIGF-FZMZJTMJSA-N 1 0 334.445 1.656 20 70 EDIDRO Cc1ccc([C@@H](NC(=O)[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161266607 441979285 /nfs/dbraw/zinc/97/92/85/441979285.db2.gz RRIHYWBSVSPSBV-SUMWQHHRSA-N 1 0 346.452 1.951 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](NC(C)=O)c1c(F)cccc1F ZINC000161201180 441970971 /nfs/dbraw/zinc/97/09/71/441970971.db2.gz KPWBBOFXHGYXNV-IUODEOHRSA-N 1 0 339.386 1.743 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CCC[N@@H+]3C[C@@H]1C)CC2 ZINC000161434101 441998940 /nfs/dbraw/zinc/99/89/40/441998940.db2.gz OSCRMNBEMRDQLG-RRFJBIMHSA-N 1 0 346.479 1.594 20 70 EDIDRO CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1CC[NH+](CC)CC1)CC2 ZINC000161285294 441980644 /nfs/dbraw/zinc/98/06/44/441980644.db2.gz AAWTUNBADGRUKD-HOTGVXAUSA-N 1 0 339.480 1.432 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NCc2ccccc2-n2ccnc2)cn1 ZINC000161335907 441986777 /nfs/dbraw/zinc/98/67/77/441986777.db2.gz HAMYUAMAJYQEFX-UHFFFAOYSA-N 1 0 335.367 1.831 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000160667531 539484105 /nfs/dbraw/zinc/48/41/05/539484105.db2.gz VAYFXSIYVHZHRJ-UHFFFAOYSA-N 1 0 325.372 1.072 20 70 EDIDRO Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000159647553 540012064 /nfs/dbraw/zinc/01/20/64/540012064.db2.gz PBVXRUCZARKFJB-SWLSCSKDSA-N 1 0 345.403 1.886 20 70 EDIDRO C[NH+](C)CCn1cc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)cn1 ZINC000160239473 540021497 /nfs/dbraw/zinc/02/14/97/540021497.db2.gz JEJNEZHTKIQUME-GOEBONIOSA-N 1 0 337.468 1.898 20 70 EDIDRO C[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)[C@H]1CN(C)CCO1 ZINC000161294260 540032856 /nfs/dbraw/zinc/03/28/56/540032856.db2.gz IJSJKXFOTZNWCJ-SWLSCSKDSA-N 1 0 330.392 1.108 20 70 EDIDRO Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000161222973 205571516 /nfs/dbraw/zinc/57/15/16/205571516.db2.gz IGOCMCBTDVMQQE-UHFFFAOYSA-N 1 0 340.265 1.783 20 70 EDIDRO CCC(=O)N1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000159489242 206248454 /nfs/dbraw/zinc/24/84/54/206248454.db2.gz OPFVXDHKAVKVFK-DLBZAZTESA-N 1 0 331.460 1.534 20 70 EDIDRO [NH3+]C1(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CCCCC1 ZINC000159800562 206264382 /nfs/dbraw/zinc/26/43/82/206264382.db2.gz IIEXAMVFBSLLII-UHFFFAOYSA-N 1 0 343.427 1.841 20 70 EDIDRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[NH2+]C1 ZINC000159800416 206263281 /nfs/dbraw/zinc/26/32/81/206263281.db2.gz QUVAFLRBIUKAIF-ZDUSSCGKSA-N 1 0 329.400 1.179 20 70 EDIDRO O=C(CCSCc1ccccn1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159964831 206272742 /nfs/dbraw/zinc/27/27/42/206272742.db2.gz ZGXUZDQIYLNRAG-MRXNPFEDSA-N 1 0 337.489 1.668 20 70 EDIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CO)CC1 ZINC000159987488 206273699 /nfs/dbraw/zinc/27/36/99/206273699.db2.gz UVIQLPLHFIYJDH-YJBOKZPZSA-N 1 0 331.460 1.921 20 70 EDIDRO CC(=O)c1cccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159976654 206273862 /nfs/dbraw/zinc/27/38/62/206273862.db2.gz QNPXDBNYRADQPW-INIZCTEOSA-N 1 0 334.416 1.231 20 70 EDIDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1nocc1C)[NH+]1CCCC1 ZINC000160130980 206280811 /nfs/dbraw/zinc/28/08/11/206280811.db2.gz XQBIZVQOBZETOM-CQSZACIVSA-N 1 0 336.436 1.938 20 70 EDIDRO O=C(OCc1ccccc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000160268114 206288566 /nfs/dbraw/zinc/28/85/66/206288566.db2.gz GATIQWKVCMXNSU-UHFFFAOYSA-N 1 0 334.416 1.482 20 70 EDIDRO CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160268291 206288797 /nfs/dbraw/zinc/28/87/97/206288797.db2.gz MDLZAOGAJYQEBS-DOTOQJQBSA-N 1 0 348.443 1.620 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000160432944 206298111 /nfs/dbraw/zinc/29/81/11/206298111.db2.gz LSZLXAFONVTYOV-UHFFFAOYSA-N 1 0 330.860 1.895 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000160563368 206303758 /nfs/dbraw/zinc/30/37/58/206303758.db2.gz CVOFZAPBQNOAOV-INWMFGNUSA-N 1 0 326.462 1.796 20 70 EDIDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160499028 206299829 /nfs/dbraw/zinc/29/98/29/206299829.db2.gz DXRICPTYDAWHOS-QMTHXVAHSA-N 1 0 341.814 1.898 20 70 EDIDRO CN(C)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000160536653 206301601 /nfs/dbraw/zinc/30/16/01/206301601.db2.gz TVJGPSXCVDFYST-DLBZAZTESA-N 1 0 346.475 1.645 20 70 EDIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160966979 206320426 /nfs/dbraw/zinc/32/04/26/206320426.db2.gz GHHXSHSFMMLXIO-LBPRGKRZSA-N 1 0 327.450 1.623 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 ZINC000161332035 206341757 /nfs/dbraw/zinc/34/17/57/206341757.db2.gz YPPZUHCZAIAGCO-GJBLVYBDSA-N 1 0 332.400 1.690 20 70 EDIDRO O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160466899 272929705 /nfs/dbraw/zinc/92/97/05/272929705.db2.gz JQRGDOOHYJLSFE-MBNYWOFBSA-N 1 0 349.381 1.671 20 70 EDIDRO CC(=O)N1CCc2cc(C(=O)NCC3CC[NH+](CCO)CC3)ccc21 ZINC000160577106 272930030 /nfs/dbraw/zinc/93/00/30/272930030.db2.gz FLYKZJPWSADFME-UHFFFAOYSA-N 1 0 345.443 1.030 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000161170916 277032761 /nfs/dbraw/zinc/03/27/61/277032761.db2.gz KRTIBYACHFZZRK-JKSUJKDBSA-N 1 0 330.432 1.144 20 70 EDIDRO CO[C@@H]1CCN(C(=O)c2ccc(Br)cn2)[C@H](C[NH3+])C1 ZINC000161070352 277654016 /nfs/dbraw/zinc/65/40/16/277654016.db2.gz MPKPKPWVTMGECE-WDEREUQCSA-N 1 0 328.210 1.422 20 70 EDIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000161244457 278088376 /nfs/dbraw/zinc/08/83/76/278088376.db2.gz NGLUEBRXRVEYIB-CBHXASLJSA-N 1 0 325.497 1.911 20 70 EDIDRO C[N@@H+](CC(=O)NCCCOc1ccccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159480028 441816380 /nfs/dbraw/zinc/81/63/80/441816380.db2.gz ZEDIZZGYUVQAHW-HOCLYGCPSA-N 1 0 338.423 1.804 20 70 EDIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159372590 441807371 /nfs/dbraw/zinc/80/73/71/441807371.db2.gz OMOKPXGQOWKDBG-JTQLQIEISA-N 1 0 340.367 1.824 20 70 EDIDRO COCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000160171969 441863819 /nfs/dbraw/zinc/86/38/19/441863819.db2.gz FTGGNABKPJQVIZ-CHWSQXEVSA-N 1 0 328.434 1.212 20 70 EDIDRO O=C(c1cc(Cl)ccc1-n1cnnn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160291941 441870492 /nfs/dbraw/zinc/87/04/92/441870492.db2.gz LPCWOFZLJJVFSS-TXEJJXNPSA-N 1 0 332.795 1.282 20 70 EDIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159622895 441824437 /nfs/dbraw/zinc/82/44/37/441824437.db2.gz WQUKYFLXLSNJHO-HUUCEWRRSA-N 1 0 348.495 1.890 20 70 EDIDRO C[N@H+](CC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1CCSC1 ZINC000159775406 441837105 /nfs/dbraw/zinc/83/71/05/441837105.db2.gz OMGWCBYVECAYLE-UMVBOHGHSA-N 1 0 330.519 1.595 20 70 EDIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000159850194 441843740 /nfs/dbraw/zinc/84/37/40/441843740.db2.gz FLHPNPKRTCJKPP-STQMWFEESA-N 1 0 337.468 1.330 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160039708 441855750 /nfs/dbraw/zinc/85/57/50/441855750.db2.gz DKHUTBBTYZYBOG-INIZCTEOSA-N 1 0 332.448 1.955 20 70 EDIDRO CN(CCC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160704388 441911839 /nfs/dbraw/zinc/91/18/39/441911839.db2.gz QPCWRZVJJZIRJG-CYBMUJFWSA-N 1 0 325.453 1.844 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)C1 ZINC000160740307 441915470 /nfs/dbraw/zinc/91/54/70/441915470.db2.gz YGRRYRNTKFMQHN-BXUZGUMPSA-N 1 0 339.436 1.706 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)C1 ZINC000160740028 441915688 /nfs/dbraw/zinc/91/56/88/441915688.db2.gz YGRRYRNTKFMQHN-RISCZKNCSA-N 1 0 339.436 1.706 20 70 EDIDRO CCO[C@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCC2 ZINC000160991092 441944137 /nfs/dbraw/zinc/94/41/37/441944137.db2.gz XOYKBCMSHNDMJX-CABCVRRESA-N 1 0 333.436 1.280 20 70 EDIDRO C([NH2+]C1CCC2(CC1)OCCO2)[C@@]1(N2CCOCC2)CCSC1 ZINC000161374725 441992258 /nfs/dbraw/zinc/99/22/58/441992258.db2.gz NFGABPFCMXADIN-INIZCTEOSA-N 1 0 342.505 1.470 20 70 EDIDRO COc1cc(Cl)c(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1OC ZINC000161415433 441996699 /nfs/dbraw/zinc/99/66/99/441996699.db2.gz ODEVNGTWWBXVNP-HNNXBMFYSA-N 1 0 330.812 1.400 20 70 EDIDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159853807 318421446 /nfs/dbraw/zinc/42/14/46/318421446.db2.gz ZLTGHKHEWUETCA-CABCVRRESA-N 1 0 345.447 1.849 20 70 EDIDRO O=C(NCCN1CC[NH2+]CC1)NCc1ccccc1Br ZINC000217314275 443057381 /nfs/dbraw/zinc/05/73/81/443057381.db2.gz VTBGELNGBZPNQS-UHFFFAOYSA-N 1 0 341.253 1.154 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000160790532 486638544 /nfs/dbraw/zinc/63/85/44/486638544.db2.gz OOUZFGGMBHUUOW-WDEREUQCSA-N 1 0 343.349 1.821 20 70 EDIDRO CC(C)N(C[C@H](C)O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000160044076 517439302 /nfs/dbraw/zinc/43/93/02/517439302.db2.gz LQEWJYBGYSOQBG-HNNXBMFYSA-N 1 0 337.464 1.928 20 70 EDIDRO CC(C)C(=O)Nc1nc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cs1 ZINC000160600813 138640827 /nfs/dbraw/zinc/64/08/27/138640827.db2.gz KNQKUBUEWRRRJV-TXEJJXNPSA-N 1 0 336.461 1.633 20 70 EDIDRO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)CO)c1ccc(Br)cc1 ZINC000218151165 139020811 /nfs/dbraw/zinc/02/08/11/139020811.db2.gz AOBMAGTTWDLLSH-WDEREUQCSA-N 1 0 329.238 1.939 20 70 EDIDRO C[C@@]12CCC(=O)N1[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)CS2 ZINC000159647760 205475889 /nfs/dbraw/zinc/47/58/89/205475889.db2.gz HVXWBDMXJWWGBH-RHSMWYFYSA-N 1 0 339.505 1.869 20 70 EDIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159478713 206247816 /nfs/dbraw/zinc/24/78/16/206247816.db2.gz PTQRJBWEUXTIRX-CZUORRHYSA-N 1 0 330.432 1.777 20 70 EDIDRO CN(C)C(=O)COc1ccccc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159525519 206250056 /nfs/dbraw/zinc/25/00/56/206250056.db2.gz PLNJKKRIHFYUSN-UHFFFAOYSA-N 1 0 333.432 1.545 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCC(=O)N2CCc3ccccc32)CC1 ZINC000159798442 206263416 /nfs/dbraw/zinc/26/34/16/206263416.db2.gz ZCBZNDDNPGOUGE-UHFFFAOYSA-N 1 0 330.432 1.313 20 70 EDIDRO Cc1noc(Cl)c1CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159939805 206271159 /nfs/dbraw/zinc/27/11/59/206271159.db2.gz KOKDZOUCVQDNJV-GFCCVEGCSA-N 1 0 329.828 1.532 20 70 EDIDRO COc1ccc(SCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000159953055 206271672 /nfs/dbraw/zinc/27/16/72/206271672.db2.gz BDHDHAFYRCNHIV-CQSZACIVSA-N 1 0 338.473 1.750 20 70 EDIDRO COCC(C)(C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160379800 206293896 /nfs/dbraw/zinc/29/38/96/206293896.db2.gz BTPWAQBFOZLCHS-UHFFFAOYSA-N 1 0 333.476 1.593 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000160529542 206302231 /nfs/dbraw/zinc/30/22/31/206302231.db2.gz ZCRCHFFYLMKZAP-BQYQJAHWSA-N 1 0 345.447 1.952 20 70 EDIDRO O=S(=O)(Cc1c(F)cccc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160562704 206303375 /nfs/dbraw/zinc/30/33/75/206303375.db2.gz DRNHMLGMVGEWPS-LLVKDONJSA-N 1 0 330.400 1.869 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000161152059 206331540 /nfs/dbraw/zinc/33/15/40/206331540.db2.gz MYIXLPZWQHEBRK-BHYGNILZSA-N 1 0 329.444 1.807 20 70 EDIDRO CC(=O)NC1CCC([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000161031042 206323642 /nfs/dbraw/zinc/32/36/42/206323642.db2.gz FUQYXYOWPBNXPO-UHFFFAOYSA-N 1 0 331.460 1.968 20 70 EDIDRO Cc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cn1 ZINC000161196719 206334283 /nfs/dbraw/zinc/33/42/83/206334283.db2.gz CPUMLDJHEVNJBO-ACJLOTCBSA-N 1 0 332.448 1.955 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000161374165 206345461 /nfs/dbraw/zinc/34/54/61/206345461.db2.gz CTQSEXIRFRPKBQ-ZDUSSCGKSA-N 1 0 328.416 1.456 20 70 EDIDRO COc1cc([C@H](C)[NH2+]C2CCN(C)CC2)ccc1S(C)(=O)=O ZINC000161469478 206349205 /nfs/dbraw/zinc/34/92/05/206349205.db2.gz HAVWNPGIEKMOOI-LBPRGKRZSA-N 1 0 326.462 1.844 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000160399922 276005422 /nfs/dbraw/zinc/00/54/22/276005422.db2.gz WLLCAVRVWOSMIP-GFCCVEGCSA-N 1 0 335.370 1.342 20 70 EDIDRO CCS(=O)(=O)C[C@@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160094362 441858262 /nfs/dbraw/zinc/85/82/62/441858262.db2.gz LEJVRZVIAIOVKL-CQSZACIVSA-N 1 0 338.473 1.247 20 70 EDIDRO Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H](n4cccn4)C3)C2=O)cn1 ZINC000160256600 441868358 /nfs/dbraw/zinc/86/83/58/441868358.db2.gz ANCIWILMFZHRSD-GOEBONIOSA-N 1 0 328.420 1.449 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000160273993 441869650 /nfs/dbraw/zinc/86/96/50/441869650.db2.gz SHYCDWNGKKBIRM-RYUDHWBXSA-N 1 0 336.436 1.721 20 70 EDIDRO CCOCCC1(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000159849237 441843113 /nfs/dbraw/zinc/84/31/13/441843113.db2.gz NNOQWMYEZSKOBF-HNNXBMFYSA-N 1 0 326.485 1.128 20 70 EDIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)Nc1ccccc1 ZINC000159891086 441844089 /nfs/dbraw/zinc/84/40/89/441844089.db2.gz NXUIVSNTHHNDSZ-INIZCTEOSA-N 1 0 332.448 1.997 20 70 EDIDRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160650024 441905176 /nfs/dbraw/zinc/90/51/76/441905176.db2.gz OXZLDEZJKFUEHG-JJRVBVJISA-N 1 0 325.453 1.484 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000160396374 441877792 /nfs/dbraw/zinc/87/77/92/441877792.db2.gz RNXFHCNVHNHPIQ-AWEZNQCLSA-N 1 0 335.452 1.324 20 70 EDIDRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160427189 441882270 /nfs/dbraw/zinc/88/22/70/441882270.db2.gz ZCZHWENICAMPJT-LSDHHAIUSA-N 1 0 325.453 1.042 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000161187814 441968504 /nfs/dbraw/zinc/96/85/04/441968504.db2.gz XGLIDHXDSOYJRX-INIZCTEOSA-N 1 0 349.500 1.735 20 70 EDIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000161196494 441969249 /nfs/dbraw/zinc/96/92/49/441969249.db2.gz OYLUAEGCNDYAEH-LSDHHAIUSA-N 1 0 332.452 1.253 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161199627 441971501 /nfs/dbraw/zinc/97/15/01/441971501.db2.gz JOAJGZBVZFLPLW-CABCVRRESA-N 1 0 335.835 1.903 20 70 EDIDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000161004826 441945514 /nfs/dbraw/zinc/94/55/14/441945514.db2.gz IGGPYKZVGGPAHL-HOCLYGCPSA-N 1 0 333.407 1.514 20 70 EDIDRO COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)c1 ZINC000161078890 441954257 /nfs/dbraw/zinc/95/42/57/441954257.db2.gz KXSGBCDEAGTIMJ-WMZOPIPTSA-N 1 0 326.396 1.701 20 70 EDIDRO Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c2=O ZINC000161396841 441994667 /nfs/dbraw/zinc/99/46/67/441994667.db2.gz ONYYRAIITZGHIB-DZGCQCFKSA-N 1 0 328.416 1.461 20 70 EDIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000159635244 318419941 /nfs/dbraw/zinc/41/99/41/318419941.db2.gz YYRKVASOHBFNAF-UHFFFAOYSA-N 1 0 342.443 1.899 20 70 EDIDRO Cc1cnc2c(cccc2S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000160814711 486638535 /nfs/dbraw/zinc/63/85/35/486638535.db2.gz VAVOUAYOCJXPEZ-TZMCWYRMSA-N 1 0 335.429 1.280 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000160912368 534754296 /nfs/dbraw/zinc/75/42/96/534754296.db2.gz GGFINCQROKTDGH-OAHLLOKOSA-N 1 0 348.447 1.892 20 70 EDIDRO O=C(NCCOc1ncccc1Cl)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000161108642 540030544 /nfs/dbraw/zinc/03/05/44/540030544.db2.gz MXFGUMWZLGGWMU-ZDUSSCGKSA-N 1 0 338.839 1.897 20 70 EDIDRO CCC(=O)N1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000159489353 206248381 /nfs/dbraw/zinc/24/83/81/206248381.db2.gz OPFVXDHKAVKVFK-IAGOWNOFSA-N 1 0 331.460 1.534 20 70 EDIDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)CC(=O)NC(N)=O ZINC000159490515 206249126 /nfs/dbraw/zinc/24/91/26/206249126.db2.gz SAXCDHNOQIEQNC-ZIAGYGMSSA-N 1 0 332.448 1.270 20 70 EDIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000159980179 206272681 /nfs/dbraw/zinc/27/26/81/206272681.db2.gz DUUUCABSOMFGOG-MRXNPFEDSA-N 1 0 333.480 1.639 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000159907728 206270428 /nfs/dbraw/zinc/27/04/28/206270428.db2.gz PZRXRJXOFYHMKI-KRWDZBQOSA-N 1 0 344.459 1.838 20 70 EDIDRO C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000160069291 206277220 /nfs/dbraw/zinc/27/72/20/206277220.db2.gz SUAHJZPQQWDDQT-HNNXBMFYSA-N 1 0 331.464 1.392 20 70 EDIDRO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000160535312 206301856 /nfs/dbraw/zinc/30/18/56/206301856.db2.gz LQKZPYYQLIHFEF-LLVKDONJSA-N 1 0 329.326 1.923 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1 ZINC000160693559 206308757 /nfs/dbraw/zinc/30/87/57/206308757.db2.gz UUNZURFTNZBAAL-WFASDCNBSA-N 1 0 329.400 1.128 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)C1 ZINC000160800447 206313900 /nfs/dbraw/zinc/31/39/00/206313900.db2.gz WETXZNIFTREBMN-NHYWBVRUSA-N 1 0 339.386 1.540 20 70 EDIDRO Cc1c(/C=C/C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC000161120272 206329573 /nfs/dbraw/zinc/32/95/73/206329573.db2.gz SPQSAHQGTZVFLY-GZKUDKTESA-N 1 0 346.475 1.842 20 70 EDIDRO COC[C@@H](O)CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161195345 206335044 /nfs/dbraw/zinc/33/50/44/206335044.db2.gz BMFHEMZXAQAKSZ-LPHOPBHVSA-N 1 0 348.487 1.843 20 70 EDIDRO C[C@]1(c2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)NC(=O)NC1=O ZINC000161413128 206346945 /nfs/dbraw/zinc/34/69/45/206346945.db2.gz FGWINQZYNQYZAX-DLBZAZTESA-N 1 0 330.388 1.069 20 70 EDIDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)SC)cn2)CC1 ZINC000159781648 302918613 /nfs/dbraw/zinc/91/86/13/302918613.db2.gz XHOLVGZEPAPCSX-CQSZACIVSA-N 1 0 336.505 1.981 20 70 EDIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000159537627 441820083 /nfs/dbraw/zinc/82/00/83/441820083.db2.gz ALTXOYAFRXDYOY-IEBWSBKVSA-N 1 0 345.487 1.878 20 70 EDIDRO CCC(C)(C)NC(=O)[C@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159363311 441806735 /nfs/dbraw/zinc/80/67/35/441806735.db2.gz DSRRUMKVOSKUPJ-DZGCQCFKSA-N 1 0 338.496 1.094 20 70 EDIDRO CC(C)N(CC[NH+](C)C)C(=O)NCCCc1nnc2ccccn21 ZINC000159443519 441813532 /nfs/dbraw/zinc/81/35/32/441813532.db2.gz UDCPJSBABNJUBP-UHFFFAOYSA-N 1 0 332.452 1.644 20 70 EDIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000159582145 441822220 /nfs/dbraw/zinc/82/22/20/441822220.db2.gz JEYRATZIQNXIDB-GFCCVEGCSA-N 1 0 325.434 1.919 20 70 EDIDRO CCC(CC)[C@H](C(=O)NCC1([NH3+])CCCCC1)N1CCOCC1 ZINC000159641701 441825713 /nfs/dbraw/zinc/82/57/13/441825713.db2.gz DMKJCVASMWIVDW-MRXNPFEDSA-N 1 0 325.497 1.901 20 70 EDIDRO CCOCCC1(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000159667674 441828942 /nfs/dbraw/zinc/82/89/42/441828942.db2.gz RNUIGGXFLVJKFN-INIZCTEOSA-N 1 0 340.512 1.376 20 70 EDIDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCNC(=O)C1 ZINC000159736958 441834221 /nfs/dbraw/zinc/83/42/21/441834221.db2.gz MRVCDFJODSQCGI-QGZVFWFLSA-N 1 0 329.444 1.815 20 70 EDIDRO O=C(c1ccncc1)N1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000159894373 441844386 /nfs/dbraw/zinc/84/43/86/441844386.db2.gz MEFCTAUHDSPUIJ-YESZJQIVSA-N 1 0 342.443 1.287 20 70 EDIDRO COC(=O)Cn1cc(CC[N@H+](CCc2nccs2)C(C)C)nn1 ZINC000159921854 441847101 /nfs/dbraw/zinc/84/71/01/441847101.db2.gz AWVQJXHJGKMFKY-UHFFFAOYSA-N 1 0 337.449 1.403 20 70 EDIDRO CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160339535 441874220 /nfs/dbraw/zinc/87/42/20/441874220.db2.gz YPROSABIIOIOII-IAGOWNOFSA-N 1 0 344.459 1.523 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ncccc1OCC(F)F ZINC000160686760 441909463 /nfs/dbraw/zinc/90/94/63/441909463.db2.gz AKZARGGTKPSAPA-LBPRGKRZSA-N 1 0 343.374 1.302 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000160405423 441877690 /nfs/dbraw/zinc/87/76/90/441877690.db2.gz AUHNFVONEZTSFC-OAHLLOKOSA-N 1 0 345.443 1.745 20 70 EDIDRO O=C(/C=C/C1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160470423 441886232 /nfs/dbraw/zinc/88/62/32/441886232.db2.gz QSBAEVHNYGCXTO-PJHKVULZSA-N 1 0 336.476 1.853 20 70 EDIDRO CCOC(=O)C[C@H](C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160528673 441893005 /nfs/dbraw/zinc/89/30/05/441893005.db2.gz PICLWOXNDLOFIT-INIZCTEOSA-N 1 0 347.459 1.657 20 70 EDIDRO CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000160587476 441898619 /nfs/dbraw/zinc/89/86/19/441898619.db2.gz KXUBUJRTYXTMJL-VNQPRFMTSA-N 1 0 340.464 1.628 20 70 EDIDRO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)CO2 ZINC000160941770 441939326 /nfs/dbraw/zinc/93/93/26/441939326.db2.gz YDPYHULXFCWOQE-KRWDZBQOSA-N 1 0 346.475 1.754 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000161093547 441956896 /nfs/dbraw/zinc/95/68/96/441956896.db2.gz USODREMFBOKMDQ-UHFFFAOYSA-N 1 0 348.447 1.961 20 70 EDIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000161177529 441967705 /nfs/dbraw/zinc/96/77/05/441967705.db2.gz JPXFLQYLPGTWLS-UHFFFAOYSA-N 1 0 328.416 1.995 20 70 EDIDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)NC(N)=O ZINC000161386893 441994227 /nfs/dbraw/zinc/99/42/27/441994227.db2.gz FKLARLPKTGNZBJ-UHFFFAOYSA-N 1 0 347.394 1.665 20 70 EDIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000161321680 441984895 /nfs/dbraw/zinc/98/48/95/441984895.db2.gz ACZBVQIZNYZSBG-CQSZACIVSA-N 1 0 330.432 1.389 20 70 EDIDRO CC(C)[C@H](NC(N)=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161483963 442004869 /nfs/dbraw/zinc/00/48/69/442004869.db2.gz QWSUZFQCLMRSET-GPANFISMSA-N 1 0 338.496 1.839 20 70 EDIDRO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)o1 ZINC000159675876 486611281 /nfs/dbraw/zinc/61/12/81/486611281.db2.gz CVNDGVIJPMVPFO-UHFFFAOYSA-N 1 0 347.802 1.876 20 70 EDIDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000160812518 486638753 /nfs/dbraw/zinc/63/87/53/486638753.db2.gz GIGOKTWPNGCNFZ-MWLCHTKSSA-N 1 0 338.351 1.442 20 70 EDIDRO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161130609 486642932 /nfs/dbraw/zinc/64/29/32/486642932.db2.gz FLTXUIMBARJJAH-OLZOCXBDSA-N 1 0 339.461 1.293 20 70 EDIDRO CC(C)[N@H+](C)CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000160087608 528809482 /nfs/dbraw/zinc/80/94/82/528809482.db2.gz PTISQWMPJQZLEY-UHFFFAOYSA-N 1 0 329.448 1.547 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000161268236 530002343 /nfs/dbraw/zinc/00/23/43/530002343.db2.gz TVTGXROXHYKXMP-OAHLLOKOSA-N 1 0 326.400 1.121 20 70 EDIDRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160826858 539483938 /nfs/dbraw/zinc/48/39/38/539483938.db2.gz MJDPWIXMGYHCTJ-DYVFJYSZSA-N 1 0 345.443 1.843 20 70 EDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000161296466 540032813 /nfs/dbraw/zinc/03/28/13/540032813.db2.gz BHJGOXVVQQTIJX-UHFFFAOYSA-N 1 0 340.383 1.571 20 70 EDIDRO C[NH+]1CCC(CCNC(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159760417 138638189 /nfs/dbraw/zinc/63/81/89/138638189.db2.gz LAYSOJUZXFEKCV-HNNXBMFYSA-N 1 0 335.452 1.773 20 70 EDIDRO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000159441894 206246263 /nfs/dbraw/zinc/24/62/63/206246263.db2.gz PXCKRTKMSABHSR-QAPCUYQASA-N 1 0 347.459 1.555 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1C ZINC000159455710 206246660 /nfs/dbraw/zinc/24/66/60/206246660.db2.gz VQXFAAKWUQLWCN-OAHLLOKOSA-N 1 0 334.464 1.637 20 70 EDIDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000159675742 206257810 /nfs/dbraw/zinc/25/78/10/206257810.db2.gz CGRMMKRUGIVXRN-HNNXBMFYSA-N 1 0 335.835 1.653 20 70 EDIDRO Cn1c2cc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)ccc2[nH]c1=O ZINC000159719552 206260902 /nfs/dbraw/zinc/26/09/02/206260902.db2.gz QSDLDOLIDBNWET-UHFFFAOYSA-N 1 0 330.432 1.859 20 70 EDIDRO CN(CCOc1ccccc1F)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159768396 206263074 /nfs/dbraw/zinc/26/30/74/206263074.db2.gz YHWVONCZHKNNAI-HOCLYGCPSA-N 1 0 338.423 1.756 20 70 EDIDRO COc1ccc2c(c1)C=C(C(=O)NC[C@H](O)C[NH+]1CCCCC1)CO2 ZINC000160236237 206286989 /nfs/dbraw/zinc/28/69/89/206286989.db2.gz KBTBDWPPUXLNJZ-INIZCTEOSA-N 1 0 346.427 1.434 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(NC(=O)C2CC2)c1 ZINC000160329831 206291777 /nfs/dbraw/zinc/29/17/77/206291777.db2.gz BIWLEZCQLKYRLX-QGZVFWFLSA-N 1 0 345.443 1.612 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160356641 206293181 /nfs/dbraw/zinc/29/31/81/206293181.db2.gz QXGPTHASYBSMMC-UHFFFAOYSA-N 1 0 342.399 1.656 20 70 EDIDRO CCN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160377630 206294596 /nfs/dbraw/zinc/29/45/96/206294596.db2.gz BKEZMBFXNFKQNP-SJLPKXTDSA-N 1 0 330.476 1.997 20 70 EDIDRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000160430750 206297985 /nfs/dbraw/zinc/29/79/85/206297985.db2.gz YIPKZZVYTGGPHD-SUZMYJTESA-N 1 0 340.807 1.388 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000161150983 206331531 /nfs/dbraw/zinc/33/15/31/206331531.db2.gz WVUHBPPOTPMUMK-UHFFFAOYSA-N 1 0 336.436 1.721 20 70 EDIDRO COc1cccc(-c2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)c1 ZINC000161079020 206326440 /nfs/dbraw/zinc/32/64/40/206326440.db2.gz KXSGBCDEAGTIMJ-FUHWJXTLSA-N 1 0 326.396 1.701 20 70 EDIDRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000161125888 206330109 /nfs/dbraw/zinc/33/01/09/206330109.db2.gz XYFLPZRXXWREAV-GFCCVEGCSA-N 1 0 325.434 1.776 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C1 ZINC000160579006 206305049 /nfs/dbraw/zinc/30/50/49/206305049.db2.gz TYTAGXMRJFJLMT-LLVKDONJSA-N 1 0 331.397 1.973 20 70 EDIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000161274743 206339057 /nfs/dbraw/zinc/33/90/57/206339057.db2.gz FRGDVDGVEFPORG-SOAGJPPSSA-N 1 0 345.487 1.443 20 70 EDIDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CNC(=O)c2cccnc2)C1 ZINC000161353970 206343445 /nfs/dbraw/zinc/34/34/45/206343445.db2.gz BSXSBPRZWRCBDN-GJZGRUSLSA-N 1 0 346.475 1.684 20 70 EDIDRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000161432324 206347699 /nfs/dbraw/zinc/34/76/99/206347699.db2.gz RWOMVDDXGJPVQR-CYBMUJFWSA-N 1 0 339.461 1.703 20 70 EDIDRO O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000161490355 206351479 /nfs/dbraw/zinc/35/14/79/206351479.db2.gz PJHIENHORPKQKC-RYUDHWBXSA-N 1 0 326.780 1.013 20 70 EDIDRO Cc1nn(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1Cl ZINC000160470291 272929801 /nfs/dbraw/zinc/92/98/01/272929801.db2.gz WCFHAOWDMFDPSC-ZDUSSCGKSA-N 1 0 328.844 1.116 20 70 EDIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2cc(Cl)nc(N)n2)C[C@H](C)O1 ZINC000160489185 274350483 /nfs/dbraw/zinc/35/04/83/274350483.db2.gz YOIKDFIJDIOJDU-TUAOUCFPSA-N 1 0 325.844 1.790 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCN2CCc3sccc3C2)CC1 ZINC000159735184 276366826 /nfs/dbraw/zinc/36/68/26/276366826.db2.gz JLEMCAIXFROLOR-UHFFFAOYSA-N 1 0 336.505 1.843 20 70 EDIDRO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000161366306 276873480 /nfs/dbraw/zinc/87/34/80/276873480.db2.gz YNDZRTCLHJDFAQ-UWVGGRQHSA-N 1 0 330.354 1.696 20 70 EDIDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[NH2+]CC1)CC2 ZINC000159456809 279110979 /nfs/dbraw/zinc/11/09/79/279110979.db2.gz IISHFSJNOHUGKH-SNVBAGLBSA-N 1 0 328.338 1.341 20 70 EDIDRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCC(C)(C)[NH3+])CC2 ZINC000160124605 282008588 /nfs/dbraw/zinc/00/85/88/282008588.db2.gz IHJNTJYVANKWHA-SECBINFHSA-N 1 0 330.354 1.762 20 70 EDIDRO CCS(=O)(=O)C[C@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160094467 441858196 /nfs/dbraw/zinc/85/81/96/441858196.db2.gz LEJVRZVIAIOVKL-AWEZNQCLSA-N 1 0 338.473 1.247 20 70 EDIDRO O=C(c1ccc2n[nH]nc2c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000159588788 441822545 /nfs/dbraw/zinc/82/25/45/441822545.db2.gz DBJRSMAOZQENTD-HNNXBMFYSA-N 1 0 343.431 1.675 20 70 EDIDRO COc1ncc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1C(N)=O ZINC000160742344 441915948 /nfs/dbraw/zinc/91/59/48/441915948.db2.gz HMFWXPAAVVMYON-CQSZACIVSA-N 1 0 334.420 1.638 20 70 EDIDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cnc2c(c1)ncn2C ZINC000160401879 441877304 /nfs/dbraw/zinc/87/73/04/441877304.db2.gz KDTPITPENBBQOK-UHFFFAOYSA-N 1 0 333.436 1.399 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(-n2ccnc2)c1 ZINC000160579413 441898725 /nfs/dbraw/zinc/89/87/25/441898725.db2.gz NOPAFSVPJMATCT-UHFFFAOYSA-N 1 0 328.416 1.306 20 70 EDIDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000160962681 441941184 /nfs/dbraw/zinc/94/11/84/441941184.db2.gz MHTCRDOYIYJFTQ-SFHVURJKSA-N 1 0 337.423 1.987 20 70 EDIDRO OCC1(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)COC1 ZINC000161048621 441950032 /nfs/dbraw/zinc/95/00/32/441950032.db2.gz LGHRWBSWNFDYCL-KBPBESRZSA-N 1 0 331.334 1.822 20 70 EDIDRO COCC[NH2+]CC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000161144965 441963337 /nfs/dbraw/zinc/96/33/37/441963337.db2.gz QWDGIOAPZKFPHJ-LLVKDONJSA-N 1 0 345.237 1.569 20 70 EDIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000161360177 441989591 /nfs/dbraw/zinc/98/95/91/441989591.db2.gz PDPAJIQCMOKQPF-HNNXBMFYSA-N 1 0 335.452 1.868 20 70 EDIDRO CCC(=O)N1CC[C@@H](C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000161091238 318423505 /nfs/dbraw/zinc/42/35/05/318423505.db2.gz SDQZTIUQRXFKAS-MRXNPFEDSA-N 1 0 347.459 1.502 20 70 EDIDRO C[C@@H](Oc1ccccc1Cl)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160690054 138640950 /nfs/dbraw/zinc/64/09/50/138640950.db2.gz BXUSRRYRAHTAHY-CYBMUJFWSA-N 1 0 340.851 1.928 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000159595446 206254387 /nfs/dbraw/zinc/25/43/87/206254387.db2.gz YNKRCTWISXSTSD-CYBMUJFWSA-N 1 0 334.464 1.639 20 70 EDIDRO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159474853 206248149 /nfs/dbraw/zinc/24/81/49/206248149.db2.gz CFFCRKNROARWRZ-ZBFHGGJFSA-N 1 0 333.432 1.420 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000159955208 206271337 /nfs/dbraw/zinc/27/13/37/206271337.db2.gz SSQGWCUKGHMLGZ-UHFFFAOYSA-N 1 0 331.420 1.067 20 70 EDIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 ZINC000159996854 206274429 /nfs/dbraw/zinc/27/44/29/206274429.db2.gz QPVVCWOEXSADRF-UHFFFAOYSA-N 1 0 347.440 1.326 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000160185281 206283547 /nfs/dbraw/zinc/28/35/47/206283547.db2.gz PFCJZVSTXHXWEB-UHFFFAOYSA-N 1 0 342.399 1.486 20 70 EDIDRO O=C(Cc1ccc(OC(F)F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160260033 206287032 /nfs/dbraw/zinc/28/70/32/206287032.db2.gz WPDKMQWRXWYIOH-CQSZACIVSA-N 1 0 342.386 1.794 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]nc1-c1ccccc1F ZINC000160281925 206288808 /nfs/dbraw/zinc/28/88/08/206288808.db2.gz OJTKHUFQQRJFTJ-ZDUSSCGKSA-N 1 0 346.406 1.792 20 70 EDIDRO Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160548483 206303783 /nfs/dbraw/zinc/30/37/83/206303783.db2.gz XEOCCSXIVMJSKO-YBJDMEARSA-N 1 0 340.855 1.358 20 70 EDIDRO Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160546737 206303823 /nfs/dbraw/zinc/30/38/23/206303823.db2.gz ZTQACUZOMONZFW-CYBMUJFWSA-N 1 0 344.406 1.401 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000160539938 206303956 /nfs/dbraw/zinc/30/39/56/206303956.db2.gz QHWDKCAYBWNYBG-IUODEOHRSA-N 1 0 325.359 1.352 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000160519759 206301367 /nfs/dbraw/zinc/30/13/67/206301367.db2.gz HHYRXYFTLMHXDL-SJLPKXTDSA-N 1 0 343.471 1.976 20 70 EDIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000160672218 206308413 /nfs/dbraw/zinc/30/84/13/206308413.db2.gz ISKLTBDAKJMSDO-KBPBESRZSA-N 1 0 332.510 1.684 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000160716341 206310576 /nfs/dbraw/zinc/31/05/76/206310576.db2.gz SPGMHTZWEQYLRL-HOCLYGCPSA-N 1 0 334.439 1.157 20 70 EDIDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)onc2CC)CC1 ZINC000160735945 206311072 /nfs/dbraw/zinc/31/10/72/206311072.db2.gz VGSHPTXAGZRECC-UHFFFAOYSA-N 1 0 336.436 1.865 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000160843269 206315015 /nfs/dbraw/zinc/31/50/15/206315015.db2.gz ZOXOCLJBSQAAAR-ZDUSSCGKSA-N 1 0 336.436 1.674 20 70 EDIDRO CCCCN1CCc2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc21 ZINC000161031632 206323511 /nfs/dbraw/zinc/32/35/11/206323511.db2.gz STXKDYWUDZXYPK-UHFFFAOYSA-N 1 0 346.475 1.856 20 70 EDIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)C1CCOCC1 ZINC000161088421 206328444 /nfs/dbraw/zinc/32/84/44/206328444.db2.gz WRDBXVKASBYHBD-CQSZACIVSA-N 1 0 347.459 1.926 20 70 EDIDRO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000161259588 206336752 /nfs/dbraw/zinc/33/67/52/206336752.db2.gz IEAHERZKFLSLPH-NSHDSACASA-N 1 0 328.409 1.443 20 70 EDIDRO CO[C@H](CNC(=O)C1(OC)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161412581 206346327 /nfs/dbraw/zinc/34/63/27/206346327.db2.gz PEZIEXVIDQJIQD-CQSZACIVSA-N 1 0 326.824 1.912 20 70 EDIDRO CN(C)C(=O)CN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000161502124 206353495 /nfs/dbraw/zinc/35/34/95/206353495.db2.gz DFYYFYNUUYHFMR-UHFFFAOYSA-N 1 0 331.460 1.835 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)C1 ZINC000160587035 272930118 /nfs/dbraw/zinc/93/01/18/272930118.db2.gz KTKZZOGPEUJWJV-AWEZNQCLSA-N 1 0 342.447 1.836 20 70 EDIDRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159539577 275471726 /nfs/dbraw/zinc/47/17/26/275471726.db2.gz GEYIIWHMULIUEY-ZIFCJYIRSA-N 1 0 341.455 1.875 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000160249396 302921138 /nfs/dbraw/zinc/92/11/38/302921138.db2.gz BMVAWZHMANEBEY-UHFFFAOYSA-N 1 0 336.436 1.674 20 70 EDIDRO COCCC1(CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000160969842 302925043 /nfs/dbraw/zinc/92/50/43/302925043.db2.gz JFVRAPXTVXLGEU-UHFFFAOYSA-N 1 0 326.485 1.128 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000160367991 441874712 /nfs/dbraw/zinc/87/47/12/441874712.db2.gz BOBMJHJWWYESHE-CYBMUJFWSA-N 1 0 347.390 1.244 20 70 EDIDRO O=C(Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1)[C@H]1CCCO1 ZINC000160300823 441870512 /nfs/dbraw/zinc/87/05/12/441870512.db2.gz VRKXFKUGFJGUNS-IXDOHACOSA-N 1 0 343.427 1.771 20 70 EDIDRO COCC[NH+]1CCC(NC(=O)NC[C@H](C)c2c(C)noc2C)CC1 ZINC000159729326 441833400 /nfs/dbraw/zinc/83/34/00/441833400.db2.gz PVLPVHITUVEOAD-LBPRGKRZSA-N 1 0 338.452 1.805 20 70 EDIDRO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935521 441847136 /nfs/dbraw/zinc/84/71/36/441847136.db2.gz BESDHUPRPGGLTC-KBPBESRZSA-N 1 0 331.420 1.459 20 70 EDIDRO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nnn1-c1ccc(C)cc1 ZINC000160002484 441854184 /nfs/dbraw/zinc/85/41/84/441854184.db2.gz NSEBHBDRZFENNY-GASCZTMLSA-N 1 0 325.416 1.851 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000160609988 441902518 /nfs/dbraw/zinc/90/25/18/441902518.db2.gz LJFSOFWXSGAPJY-UHFFFAOYSA-N 1 0 341.249 1.883 20 70 EDIDRO O=C(COc1ccc(Cl)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160630717 441903692 /nfs/dbraw/zinc/90/36/92/441903692.db2.gz FBTWBJAQTGCBHC-UHFFFAOYSA-N 1 0 326.824 1.539 20 70 EDIDRO CN(C)C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160637357 441904342 /nfs/dbraw/zinc/90/43/42/441904342.db2.gz VEOPPMJMHXKKPF-HNNXBMFYSA-N 1 0 341.415 1.357 20 70 EDIDRO O=C(CCc1cc(F)ccc1F)NCC1CC[NH+](CCO)CC1 ZINC000160647434 441905671 /nfs/dbraw/zinc/90/56/71/441905671.db2.gz ASDGIDRQEYTDHE-UHFFFAOYSA-N 1 0 326.387 1.718 20 70 EDIDRO CCC(=O)N1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160817997 441924449 /nfs/dbraw/zinc/92/44/49/441924449.db2.gz HEVBWSMQOXBMTP-HNNXBMFYSA-N 1 0 336.480 1.657 20 70 EDIDRO Cc1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(=O)[nH]c1C ZINC000160392469 441876349 /nfs/dbraw/zinc/87/63/49/441876349.db2.gz GGLNMEJDOVSMOH-ZDUSSCGKSA-N 1 0 330.388 1.547 20 70 EDIDRO O=C(C[C@@H]1CCOc2ccccc21)NCC1CC[NH+](CCO)CC1 ZINC000160539368 441893916 /nfs/dbraw/zinc/89/39/16/441893916.db2.gz CGTUOPNAFMCRDJ-INIZCTEOSA-N 1 0 332.444 1.763 20 70 EDIDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000160567966 441897717 /nfs/dbraw/zinc/89/77/17/441897717.db2.gz NPHPEWFFVHZBHE-OAHLLOKOSA-N 1 0 343.431 1.152 20 70 EDIDRO Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)nn1-c1ccccc1 ZINC000160594795 441900135 /nfs/dbraw/zinc/90/01/35/441900135.db2.gz NJVFZBPBMNWWDR-UHFFFAOYSA-N 1 0 342.443 1.615 20 70 EDIDRO O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000161355462 441989605 /nfs/dbraw/zinc/98/96/05/441989605.db2.gz ZPLQUVWJLNHQGQ-INIZCTEOSA-N 1 0 349.862 1.695 20 70 EDIDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000161477482 442003633 /nfs/dbraw/zinc/00/36/33/442003633.db2.gz HIXGEPMVUXCOBV-LJQANCHMSA-N 1 0 347.459 1.519 20 70 EDIDRO CN1CCN([C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000161428362 486644359 /nfs/dbraw/zinc/64/43/59/486644359.db2.gz KXAQFCGXRHVDGB-KSZLIROESA-N 1 0 330.476 1.361 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1CC ZINC000160285953 529695978 /nfs/dbraw/zinc/69/59/78/529695978.db2.gz FIICBDRBXZNQOK-MRXNPFEDSA-N 1 0 349.479 1.376 20 70 EDIDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160826743 540026690 /nfs/dbraw/zinc/02/66/90/540026690.db2.gz MJDPWIXMGYHCTJ-GUYCJALGSA-N 1 0 345.443 1.843 20 70 EDIDRO Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161372312 540033368 /nfs/dbraw/zinc/03/33/68/540033368.db2.gz ZROGHCSOMBISRL-UHFFFAOYSA-N 1 0 328.420 1.193 20 70 EDIDRO O=C(N[C@H]1CCc2ncnn2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000161128206 295907474 /nfs/dbraw/zinc/90/74/74/295907474.db2.gz YQWNXNZQAIERES-LSDHHAIUSA-N 1 0 332.452 1.253 20 70 EDIDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000159789895 138638353 /nfs/dbraw/zinc/63/83/53/138638353.db2.gz HSDTZSUMUBZOLU-LBPRGKRZSA-N 1 0 330.450 1.808 20 70 EDIDRO Cc1cccc(OCCCC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160633278 138640785 /nfs/dbraw/zinc/64/07/85/138640785.db2.gz MBEODPVYCPTPDD-UHFFFAOYSA-N 1 0 334.460 1.975 20 70 EDIDRO COCCCOc1cccc(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000159566598 206253280 /nfs/dbraw/zinc/25/32/80/206253280.db2.gz XHXFXXBUJRPPDF-UHFFFAOYSA-N 1 0 335.448 1.995 20 70 EDIDRO COCC[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159801137 206263910 /nfs/dbraw/zinc/26/39/10/206263910.db2.gz UEZIAXZGZHKXLE-UHFFFAOYSA-N 1 0 335.379 1.365 20 70 EDIDRO CC(C)([NH3+])CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000159941257 206271181 /nfs/dbraw/zinc/27/11/81/206271181.db2.gz VVEKWPGWPFHOGU-UHFFFAOYSA-N 1 0 349.250 1.320 20 70 EDIDRO CC[NH+](CC)[C@@H](CNC(=O)C1(NC(N)=O)CC1)Cc1ccccc1 ZINC000160103628 206279503 /nfs/dbraw/zinc/27/95/03/206279503.db2.gz GUKHBEIYIACWKH-OAHLLOKOSA-N 1 0 332.448 1.257 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000160131392 206280220 /nfs/dbraw/zinc/28/02/20/206280220.db2.gz OEJFEKRDVFWGLT-CQSZACIVSA-N 1 0 336.436 1.938 20 70 EDIDRO O=C(Cc1cc(F)c(F)cc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160282840 206288318 /nfs/dbraw/zinc/28/83/18/206288318.db2.gz GWXNWLMIKWVDPT-GFCCVEGCSA-N 1 0 330.350 1.609 20 70 EDIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000160321715 206289246 /nfs/dbraw/zinc/28/92/46/206289246.db2.gz DATHADUPVJQJOR-JOYOIKCWSA-N 1 0 342.226 1.906 20 70 EDIDRO Cc1cc(Cl)ccc1OCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160312445 206289528 /nfs/dbraw/zinc/28/95/28/206289528.db2.gz AGRZJPQFIRFPQC-HNNXBMFYSA-N 1 0 340.851 1.990 20 70 EDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)CC2 ZINC000160433531 206297842 /nfs/dbraw/zinc/29/78/42/206297842.db2.gz QHEWXKWORUGWOW-IAQYHMDHSA-N 1 0 349.460 1.624 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000160501514 206300808 /nfs/dbraw/zinc/30/08/08/206300808.db2.gz APLAHWJLEGPSBA-QGZVFWFLSA-N 1 0 345.443 1.390 20 70 EDIDRO CC(=O)N1CC[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000160825188 206315665 /nfs/dbraw/zinc/31/56/65/206315665.db2.gz BVXUYWYWTFDREN-SJORKVTESA-N 1 0 338.496 1.617 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160965166 206321299 /nfs/dbraw/zinc/32/12/99/206321299.db2.gz CUOONAPCVHBZIZ-GJZGRUSLSA-N 1 0 326.462 1.704 20 70 EDIDRO Cn1cc(-c2ncc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)s2)cn1 ZINC000160466743 272929742 /nfs/dbraw/zinc/92/97/42/272929742.db2.gz GAGZIYPRTITUCZ-CYBMUJFWSA-N 1 0 349.460 1.120 20 70 EDIDRO CCC([NH3+])(CC)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000160472706 272929810 /nfs/dbraw/zinc/92/98/10/272929810.db2.gz SVZITHTXBQBJDU-UHFFFAOYSA-N 1 0 328.416 1.788 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000161288506 272930644 /nfs/dbraw/zinc/93/06/44/272930644.db2.gz SLYJQQRVAPZKGW-CYBMUJFWSA-N 1 0 335.473 1.567 20 70 EDIDRO COCCc1noc(CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000160303156 302921462 /nfs/dbraw/zinc/92/14/62/302921462.db2.gz FULHHTGPGZQOGF-ZDUSSCGKSA-N 1 0 339.440 1.274 20 70 EDIDRO CC1(C)CC(=O)c2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c(=O)[nH]c2C1 ZINC000160243647 441867844 /nfs/dbraw/zinc/86/78/44/441867844.db2.gz HWPPCXPPDAUIKW-TXEJJXNPSA-N 1 0 343.427 1.497 20 70 EDIDRO [NH3+]C1(CNC(=O)c2cccc(CN3CCOCC3)c2)CCCCC1 ZINC000159578007 441822421 /nfs/dbraw/zinc/82/24/21/441822421.db2.gz RPQFDJWQIPNTMY-UHFFFAOYSA-N 1 0 331.460 1.910 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000159663993 441827164 /nfs/dbraw/zinc/82/71/64/441827164.db2.gz BVLBYKFJCGGBMM-CYBMUJFWSA-N 1 0 336.402 1.608 20 70 EDIDRO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159695106 441830233 /nfs/dbraw/zinc/83/02/33/441830233.db2.gz DSTLEGGAAYEHKR-HZSPNIEDSA-N 1 0 339.505 1.677 20 70 EDIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000160333986 441873591 /nfs/dbraw/zinc/87/35/91/441873591.db2.gz QMEXYBUNJGESSM-NSHDSACASA-N 1 0 334.401 1.481 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1N1CCCC1 ZINC000160063423 441856685 /nfs/dbraw/zinc/85/66/85/441856685.db2.gz KYJDLAWXNVEOHZ-HNNXBMFYSA-N 1 0 332.448 1.258 20 70 EDIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1 ZINC000160392355 441876393 /nfs/dbraw/zinc/87/63/93/441876393.db2.gz QWJSANWIEJFUTC-UHFFFAOYSA-N 1 0 331.338 1.952 20 70 EDIDRO C[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160416044 441879666 /nfs/dbraw/zinc/87/96/66/441879666.db2.gz NTXRVSZNJVKLLZ-HOCLYGCPSA-N 1 0 339.480 1.034 20 70 EDIDRO CNC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160508203 441891672 /nfs/dbraw/zinc/89/16/72/441891672.db2.gz QWGMSQCMGGATEU-PBWFPOADSA-N 1 0 325.453 1.985 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000161217387 441973483 /nfs/dbraw/zinc/97/34/83/441973483.db2.gz AHFRXFMRGNWROJ-UHFFFAOYSA-N 1 0 334.420 1.644 20 70 EDIDRO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1CC[NH+](C)CC1)CC2 ZINC000161230843 441974376 /nfs/dbraw/zinc/97/43/76/441974376.db2.gz PRMKTZGKUJUDJN-LSDHHAIUSA-N 1 0 325.453 1.042 20 70 EDIDRO Cn1c2cccc(C(=O)NCC[N@H+](C)Cc3ccccc3)c2oc1=O ZINC000160891532 441932375 /nfs/dbraw/zinc/93/23/75/441932375.db2.gz IUBPCCKSXOIUSY-UHFFFAOYSA-N 1 0 339.395 1.993 20 70 EDIDRO CC(C)COC[C@@H](O)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160914874 441935917 /nfs/dbraw/zinc/93/59/17/441935917.db2.gz AYCDSUXRDCZZTP-SJORKVTESA-N 1 0 343.512 1.830 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000161088132 441954945 /nfs/dbraw/zinc/95/49/45/441954945.db2.gz MVAMJMUOHYJXID-OCCSQVGLSA-N 1 0 334.420 1.427 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CC[NH+]1CCCC1)CC2 ZINC000161464566 442002066 /nfs/dbraw/zinc/00/20/66/442002066.db2.gz ILMRMRXBLJNCNR-CQSZACIVSA-N 1 0 334.468 1.454 20 70 EDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc2c(c1)CCC2 ZINC000161386574 441993355 /nfs/dbraw/zinc/99/33/55/441993355.db2.gz XNHGHXPBKRGCHP-UHFFFAOYSA-N 1 0 338.473 1.158 20 70 EDIDRO Cc1c(Cl)cccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161398875 441995100 /nfs/dbraw/zinc/99/51/00/441995100.db2.gz YBNSGOHBRZTPBA-UHFFFAOYSA-N 1 0 346.880 1.631 20 70 EDIDRO CN(C(=O)CCCNC(=O)c1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161323563 441986082 /nfs/dbraw/zinc/98/60/82/441986082.db2.gz LPKXOHANGGRHJZ-YIONKMFJSA-N 1 0 335.473 2.000 20 70 EDIDRO O=C(c1ccc(N2CCOCC2)c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159639790 486610905 /nfs/dbraw/zinc/61/09/05/486610905.db2.gz CLYPHSOXYMSTHW-GASCZTMLSA-N 1 0 333.407 1.629 20 70 EDIDRO CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161313119 486644033 /nfs/dbraw/zinc/64/40/33/486644033.db2.gz YLLORDMJHMTLNY-TUCDSHDJSA-N 1 0 342.443 1.172 20 70 EDIDRO COc1ccc(OC)c2c1CN(C(=O)[C@]1(C)CCC[NH2+]C1)C[C@@H]2O ZINC000161314961 532996839 /nfs/dbraw/zinc/99/68/39/532996839.db2.gz UHFRDYCGMQJZDO-SCLBCKFNSA-N 1 0 334.416 1.469 20 70 EDIDRO COCCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC000160855024 285043293 /nfs/dbraw/zinc/04/32/93/285043293.db2.gz PSEHWFQLJZOZFE-JKSUJKDBSA-N 1 0 338.496 1.365 20 70 EDIDRO COC(=O)CCCOc1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160167602 533394371 /nfs/dbraw/zinc/39/43/71/533394371.db2.gz MKQXVWCZIPNSRL-HNNXBMFYSA-N 1 0 334.416 1.634 20 70 EDIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159399167 533605360 /nfs/dbraw/zinc/60/53/60/533605360.db2.gz LPCUWOSRBBUSGZ-VXGBXAGGSA-N 1 0 341.864 1.642 20 70 EDIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159365151 225203811 /nfs/dbraw/zinc/20/38/11/225203811.db2.gz BZTVPMLDYXWFSD-GFCCVEGCSA-N 1 0 332.441 1.458 20 70 EDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)CC2 ZINC000160440517 225415798 /nfs/dbraw/zinc/41/57/98/225415798.db2.gz WGJGQXLHZSDZKY-JOYOIKCWSA-N 1 0 339.241 1.539 20 70 EDIDRO O=C(CC1CC[NH2+]CC1)NCCCN1C(=O)COc2ccccc21 ZINC000160671979 225450569 /nfs/dbraw/zinc/45/05/69/225450569.db2.gz RKKFJVOSMPUFDF-UHFFFAOYSA-N 1 0 331.416 1.308 20 70 EDIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000160048694 277307632 /nfs/dbraw/zinc/30/76/32/277307632.db2.gz QZFPLLZLWMIRJA-LBPRGKRZSA-N 1 0 341.864 1.709 20 70 EDIDRO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161238067 298132485 /nfs/dbraw/zinc/13/24/85/298132485.db2.gz VXJHPQQHEYQTBZ-GFCCVEGCSA-N 1 0 329.404 1.525 20 70 EDIDRO COCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000160172096 441864107 /nfs/dbraw/zinc/86/41/07/441864107.db2.gz FTGGNABKPJQVIZ-QWHCGFSZSA-N 1 0 328.434 1.212 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1occc1Br ZINC000160320102 441872497 /nfs/dbraw/zinc/87/24/97/441872497.db2.gz WLVFIFCDTJEGDL-SNVBAGLBSA-N 1 0 331.210 1.619 20 70 EDIDRO COc1ccc(C(=O)NCC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159699752 441830825 /nfs/dbraw/zinc/83/08/25/441830825.db2.gz CZIGXFXJBMIWSY-UHFFFAOYSA-N 1 0 347.459 1.854 20 70 EDIDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCNC(=O)C1 ZINC000159854154 441843426 /nfs/dbraw/zinc/84/34/26/441843426.db2.gz ZUSFOOVTWQIOPI-OAHLLOKOSA-N 1 0 329.444 1.815 20 70 EDIDRO COc1ccc(N2C[C@H](C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2=O)cc1 ZINC000160044374 441855270 /nfs/dbraw/zinc/85/52/70/441855270.db2.gz OLGXIBXLQXNXHF-KFWWJZLASA-N 1 0 343.427 1.401 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1SCCc2sccc21 ZINC000160685572 441909091 /nfs/dbraw/zinc/90/90/91/441909091.db2.gz AUUKKRFVGPECCR-OAHLLOKOSA-N 1 0 340.514 1.899 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000160689328 441909209 /nfs/dbraw/zinc/90/92/09/441909209.db2.gz IMWMHTGEIDNXRL-ZDUSSCGKSA-N 1 0 334.351 1.480 20 70 EDIDRO CCN(C(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000160817679 441924514 /nfs/dbraw/zinc/92/45/14/441924514.db2.gz NCQHGPRITVQWAD-HNNXBMFYSA-N 1 0 347.525 1.668 20 70 EDIDRO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000160431035 441882170 /nfs/dbraw/zinc/88/21/70/441882170.db2.gz YIPKZZVYTGGPHD-XHVZSJERSA-N 1 0 340.807 1.388 20 70 EDIDRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160823148 441925585 /nfs/dbraw/zinc/92/55/85/441925585.db2.gz XKKLRPPTCIETLH-XYJFISCASA-N 1 0 335.448 1.519 20 70 EDIDRO O=C(CCn1ccc2ccccc21)NCC1CC[NH+](CCO)CC1 ZINC000160555082 441896801 /nfs/dbraw/zinc/89/68/01/441896801.db2.gz CXQFPLGLIPDMAV-UHFFFAOYSA-N 1 0 329.444 1.852 20 70 EDIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000160598145 441900059 /nfs/dbraw/zinc/90/00/59/441900059.db2.gz XTBWEGNIOKDTDG-UHFFFAOYSA-N 1 0 348.495 1.878 20 70 EDIDRO C[C@H]1OCCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@H]1C ZINC000161034726 441948654 /nfs/dbraw/zinc/94/86/54/441948654.db2.gz HMTGRLLSTFYGRQ-LSDHHAIUSA-N 1 0 332.448 1.865 20 70 EDIDRO CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000161033831 441949002 /nfs/dbraw/zinc/94/90/02/441949002.db2.gz MOOIWLKDAQYSGP-SJORKVTESA-N 1 0 331.460 1.972 20 70 EDIDRO CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cnn(C)c1 ZINC000161092704 441956556 /nfs/dbraw/zinc/95/65/56/441956556.db2.gz AMWXQUGOAMSSJV-UHFFFAOYSA-N 1 0 326.400 1.928 20 70 EDIDRO CNC(=O)COc1cccc(CC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000161097050 441956680 /nfs/dbraw/zinc/95/66/80/441956680.db2.gz PCYOPYFVTUFKAK-UHFFFAOYSA-N 1 0 349.475 1.589 20 70 EDIDRO COCCOc1cccc(CC(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000161173753 441967215 /nfs/dbraw/zinc/96/72/15/441967215.db2.gz WNTYLAUIYPNIPR-UHFFFAOYSA-N 1 0 349.475 1.008 20 70 EDIDRO C[NH2+]C[C@H]1CCCN1C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000161373312 441992334 /nfs/dbraw/zinc/99/23/34/441992334.db2.gz NBQMXIXOELXZDA-NWDGAFQWSA-N 1 0 340.449 1.254 20 70 EDIDRO Cc1ccc2ncc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)c(=O)n2c1 ZINC000161423680 441998326 /nfs/dbraw/zinc/99/83/26/441998326.db2.gz KECLPRCRXTYYRX-CQSZACIVSA-N 1 0 349.394 1.407 20 70 EDIDRO CN(C(=O)CNC(=O)NCc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161426591 441999685 /nfs/dbraw/zinc/99/96/85/441999685.db2.gz WGBZHEVUYPEAQO-XYPWUTKMSA-N 1 0 348.422 1.366 20 70 EDIDRO Cc1cnc2c(cccc2S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000161433451 441999758 /nfs/dbraw/zinc/99/97/58/441999758.db2.gz WMCZVYAPBTVUNR-MRXNPFEDSA-N 1 0 337.445 1.134 20 70 EDIDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000161299626 441981840 /nfs/dbraw/zinc/98/18/40/441981840.db2.gz XRWNDYHPELHGNZ-HIFRSBDPSA-N 1 0 325.478 1.811 20 70 EDIDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161324277 441986051 /nfs/dbraw/zinc/98/60/51/441986051.db2.gz IVOGORHARFZAPO-QZTJIDSGSA-N 1 0 332.444 1.820 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000161139729 486642928 /nfs/dbraw/zinc/64/29/28/486642928.db2.gz QYHYLZUVGHTEIJ-HUUCEWRRSA-N 1 0 329.400 1.335 20 70 EDIDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000160235648 533761216 /nfs/dbraw/zinc/76/12/16/533761216.db2.gz FYILDQBEQHPRTO-CYBMUJFWSA-N 1 0 329.404 1.536 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000159940380 534538896 /nfs/dbraw/zinc/53/88/96/534538896.db2.gz WGOKGHCVLRFTNM-CYBMUJFWSA-N 1 0 345.399 1.212 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(F)c(F)cc(F)c1F ZINC000160265802 534538994 /nfs/dbraw/zinc/53/89/94/534538994.db2.gz SJIJHILNFZHRKA-SECBINFHSA-N 1 0 334.313 1.820 20 70 EDIDRO CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C[NH3+])c1c(F)cccc1F ZINC000160178455 526881741 /nfs/dbraw/zinc/88/17/41/526881741.db2.gz MGPLXPLBJLNSRE-SMDDNHRTSA-N 1 0 325.359 1.482 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccnn2C(C)C)C1 ZINC000159361796 528019011 /nfs/dbraw/zinc/01/90/11/528019011.db2.gz VLNUZNSYGANNPA-AWEZNQCLSA-N 1 0 335.452 1.497 20 70 EDIDRO CC[C@@H](C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000159708124 529276579 /nfs/dbraw/zinc/27/65/79/529276579.db2.gz JQWSFAOYVQXYGO-KRWDZBQOSA-N 1 0 342.443 1.793 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000161366295 290694984 /nfs/dbraw/zinc/69/49/84/290694984.db2.gz SKVIQXMXALOLNY-KBPBESRZSA-N 1 0 331.416 1.259 20 70 EDIDRO C[NH+](C)CCn1cc(NC(=O)c2csc(S(C)(=O)=O)c2)cn1 ZINC000160296713 540022660 /nfs/dbraw/zinc/02/26/60/540022660.db2.gz NJRVUIIXMZLWLK-UHFFFAOYSA-N 1 0 342.446 1.162 20 70 EDIDRO COc1c(F)ccc(F)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160129626 533438578 /nfs/dbraw/zinc/43/85/78/533438578.db2.gz LNCMAIXEWQMXRE-NSHDSACASA-N 1 0 328.359 1.550 20 70 EDIDRO O=C(NCc1ccc(F)cc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159787310 225276355 /nfs/dbraw/zinc/27/63/55/225276355.db2.gz QXDNGNKMSOEQST-UHFFFAOYSA-N 1 0 333.407 1.433 20 70 EDIDRO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159813766 225283306 /nfs/dbraw/zinc/28/33/06/225283306.db2.gz FTRUXDLRFOWUBX-UHFFFAOYSA-N 1 0 346.475 1.980 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000159594394 225245397 /nfs/dbraw/zinc/24/53/97/225245397.db2.gz CIJLQIAUVOBBNI-ZDUSSCGKSA-N 1 0 334.464 1.782 20 70 EDIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cccc(-n2cnnn2)c1 ZINC000159662284 225256614 /nfs/dbraw/zinc/25/66/14/225256614.db2.gz NQCLTRQDHBNDFW-UHFFFAOYSA-N 1 0 328.420 1.705 20 70 EDIDRO COc1cccc([C@H](CNC(=O)C(=O)Nc2nocc2C)[NH+](C)C)c1 ZINC000160034317 225324533 /nfs/dbraw/zinc/32/45/33/225324533.db2.gz MCLUZWGLFPMYJV-AWEZNQCLSA-N 1 0 346.387 1.349 20 70 EDIDRO Cc1nc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c(=O)[nH]c1C ZINC000159657489 441828071 /nfs/dbraw/zinc/82/80/71/441828071.db2.gz QPSZBBQJRYBXTL-UHFFFAOYSA-N 1 0 346.456 1.843 20 70 EDIDRO O=C(c1cc(N2CCNC2=O)ccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159658385 441828234 /nfs/dbraw/zinc/82/82/34/441828234.db2.gz LUYRTMAKARPKRK-TXEJJXNPSA-N 1 0 348.834 1.836 20 70 EDIDRO Cc1c(C(=O)NCC(C)(C)[NH3+])sc2nc3n(c(=O)c12)CCCCC3 ZINC000159934134 441847271 /nfs/dbraw/zinc/84/72/71/441847271.db2.gz KKEAKIPDCGRELN-UHFFFAOYSA-N 1 0 348.472 1.960 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000160621459 441902893 /nfs/dbraw/zinc/90/28/93/441902893.db2.gz WGNIHRWIZBKFIH-AWEZNQCLSA-N 1 0 329.400 1.105 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)c1sccc1OC(F)F ZINC000160704898 441912027 /nfs/dbraw/zinc/91/20/27/441912027.db2.gz GAOLVARELWHXAN-UHFFFAOYSA-N 1 0 334.388 1.784 20 70 EDIDRO CC(C)n1ccnc1CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000160723172 441913065 /nfs/dbraw/zinc/91/30/65/441913065.db2.gz RSPIPERBWLFOJW-UHFFFAOYSA-N 1 0 347.507 1.984 20 70 EDIDRO CCc1nc(C(=O)N2CC[C@@H]([NH2+]C)C2)nn1-c1ccccc1Cl ZINC000160714001 441913698 /nfs/dbraw/zinc/91/36/98/441913698.db2.gz SCQTWUVCASNGMB-LLVKDONJSA-N 1 0 333.823 1.917 20 70 EDIDRO C[C@H]1C[C@H](NC(=O)NC[C@]2(O)CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000160409592 441879371 /nfs/dbraw/zinc/87/93/71/441879371.db2.gz ZBHXUCIYSPFGTQ-QILLFSRXSA-N 1 0 349.500 1.817 20 70 EDIDRO CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160452210 441884087 /nfs/dbraw/zinc/88/40/87/441884087.db2.gz BSWKJZKAKIVYJQ-OAHLLOKOSA-N 1 0 338.423 1.946 20 70 EDIDRO CC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000160513536 441891808 /nfs/dbraw/zinc/89/18/08/441891808.db2.gz BMLLJHPOCRPDIW-MRXNPFEDSA-N 1 0 348.472 1.084 20 70 EDIDRO O=C(CCCOc1ccc(F)cc1)NCC1CC[NH+](CCO)CC1 ZINC000160550661 441894568 /nfs/dbraw/zinc/89/45/68/441894568.db2.gz FXARHYUPJVSILJ-UHFFFAOYSA-N 1 0 338.423 1.805 20 70 EDIDRO COc1ccc([C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)NC(C)=O)cc1 ZINC000160548228 441895379 /nfs/dbraw/zinc/89/53/79/441895379.db2.gz VXFCJASCBDYBFC-JZXOWHBKSA-N 1 0 345.443 1.615 20 70 EDIDRO CC(=O)NC1CCC([NH2+]Cc2cccnc2N2CCOCC2)CC1 ZINC000161272125 441979673 /nfs/dbraw/zinc/97/96/73/441979673.db2.gz AHDWHUKFLVYUOC-UHFFFAOYSA-N 1 0 332.448 1.455 20 70 EDIDRO NC(=O)CNC(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000160950389 441940665 /nfs/dbraw/zinc/94/06/65/441940665.db2.gz MWQLELNVBJHNNC-QGZVFWFLSA-N 1 0 341.386 1.818 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000160977797 441942708 /nfs/dbraw/zinc/94/27/08/441942708.db2.gz LMVNWGRCQHOTNW-LSDHHAIUSA-N 1 0 326.462 1.704 20 70 EDIDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)CC2 ZINC000161009744 441946566 /nfs/dbraw/zinc/94/65/66/441946566.db2.gz RQVUTLXTKOKDLT-GOSISDBHSA-N 1 0 337.423 1.987 20 70 EDIDRO CCc1ncc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000161130306 441961170 /nfs/dbraw/zinc/96/11/70/441961170.db2.gz FVDNPFXOJOIROM-JKSUJKDBSA-N 1 0 347.463 1.928 20 70 EDIDRO C[C@@]1(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CCC[NH2+]C1 ZINC000161374782 441992880 /nfs/dbraw/zinc/99/28/80/441992880.db2.gz WBJVYCCDJOEJAS-GOSISDBHSA-N 1 0 326.400 1.620 20 70 EDIDRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000161391162 441994162 /nfs/dbraw/zinc/99/41/62/441994162.db2.gz DSEWWCJWFOPBBA-UHFFFAOYSA-N 1 0 338.882 1.384 20 70 EDIDRO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NC1CC[NH+](CC)CC1)CC2 ZINC000161285380 441980622 /nfs/dbraw/zinc/98/06/22/441980622.db2.gz AAWTUNBADGRUKD-HZPDHXFCSA-N 1 0 339.480 1.432 20 70 EDIDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1=O ZINC000161328522 441986608 /nfs/dbraw/zinc/98/66/08/441986608.db2.gz ICJCIQDKCOVMIS-NSHDSACASA-N 1 0 329.169 1.825 20 70 EDIDRO CCOCCC1(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000161467833 442003522 /nfs/dbraw/zinc/00/35/22/442003522.db2.gz LIANEZRVIQFZRX-UHFFFAOYSA-N 1 0 339.480 1.699 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000160344757 318422028 /nfs/dbraw/zinc/42/20/28/318422028.db2.gz KBBNLSCNOBPPGC-LBPRGKRZSA-N 1 0 336.436 1.721 20 70 EDIDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000218165643 443057699 /nfs/dbraw/zinc/05/76/99/443057699.db2.gz IXQXFIDXVYKDDI-LBPRGKRZSA-N 1 0 345.237 1.257 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000160036444 534756109 /nfs/dbraw/zinc/75/61/09/534756109.db2.gz CCUFMNLMRIRLEA-HNNXBMFYSA-N 1 0 342.399 1.875 20 70 EDIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)Nc1ccccc1 ZINC000159891196 527849296 /nfs/dbraw/zinc/84/92/96/527849296.db2.gz NXUIVSNTHHNDSZ-MRXNPFEDSA-N 1 0 332.448 1.997 20 70 EDIDRO CC(C)Oc1cc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccn1 ZINC000159851768 528110698 /nfs/dbraw/zinc/11/06/98/528110698.db2.gz VXGKABDGXXJBLE-OAHLLOKOSA-N 1 0 349.479 1.304 20 70 EDIDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159897496 529135784 /nfs/dbraw/zinc/13/57/84/529135784.db2.gz HPWGVBDKWXZNSU-CHWSQXEVSA-N 1 0 344.419 1.541 20 70 EDIDRO CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c1CC ZINC000160344744 529695970 /nfs/dbraw/zinc/69/59/70/529695970.db2.gz XPUNFLQWKNHVNA-LBPRGKRZSA-N 1 0 335.452 1.130 20 70 EDIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000161158000 529990275 /nfs/dbraw/zinc/99/02/75/529990275.db2.gz MKNWATIIQDIWID-RDJZCZTQSA-N 1 0 347.434 1.888 20 70 EDIDRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159464262 530055089 /nfs/dbraw/zinc/05/50/89/530055089.db2.gz LQKRLXHLRZKWPC-WDEREUQCSA-N 1 0 344.381 1.991 20 70 EDIDRO CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000160274536 540022435 /nfs/dbraw/zinc/02/24/35/540022435.db2.gz LUDBJMPFKOFKGD-LRDDRELGSA-N 1 0 334.420 1.510 20 70 EDIDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161230943 540031503 /nfs/dbraw/zinc/03/15/03/540031503.db2.gz WOMLSFNOKQONAV-GFCCVEGCSA-N 1 0 348.490 1.152 20 70 EDIDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159489304 138637038 /nfs/dbraw/zinc/63/70/38/138637038.db2.gz VVDGDFUVAQZMTQ-AWEZNQCLSA-N 1 0 335.452 1.914 20 70 EDIDRO NS(=O)(=O)c1cc(C(=O)NCC[NH2+]C2CCCCCC2)cs1 ZINC000159631065 225252225 /nfs/dbraw/zinc/25/22/25/225252225.db2.gz AVXNBUMIIFYCKX-UHFFFAOYSA-N 1 0 345.490 1.438 20 70 EDIDRO C[C@](O)(CO)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160334073 225390001 /nfs/dbraw/zinc/39/00/01/225390001.db2.gz PEDUZITZBXTYJP-CQSZACIVSA-N 1 0 325.206 1.830 20 70 EDIDRO C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1cnn(C)c1 ZINC000160359271 225395546 /nfs/dbraw/zinc/39/55/46/225395546.db2.gz NHNYQEPSJFUNJS-CQSZACIVSA-N 1 0 328.420 1.404 20 70 EDIDRO CC(C)([NH3+])CNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000160119270 267500137 /nfs/dbraw/zinc/50/01/37/267500137.db2.gz IBTIEKZHGGZJAY-UHFFFAOYSA-N 1 0 345.300 1.892 20 70 EDIDRO Cc1cc(F)ccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161410791 267509482 /nfs/dbraw/zinc/50/94/82/267509482.db2.gz NPFCLMISSMVABJ-UHFFFAOYSA-N 1 0 330.425 1.117 20 70 EDIDRO COc1cccc2c1OCC(C(=O)NC[C@H](O)C[NH+]1CCCCC1)=C2 ZINC000160437552 272929613 /nfs/dbraw/zinc/92/96/13/272929613.db2.gz UMUUQNHRPQEIOT-INIZCTEOSA-N 1 0 346.427 1.434 20 70 EDIDRO O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160467029 272929695 /nfs/dbraw/zinc/92/96/95/272929695.db2.gz JQRGDOOHYJLSFE-SCRDCRAPSA-N 1 0 349.381 1.671 20 70 EDIDRO CCCS(=O)(=O)NC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160584436 272930104 /nfs/dbraw/zinc/93/01/04/272930104.db2.gz QRFYHVJXBHRCPG-UHFFFAOYSA-N 1 0 331.526 1.656 20 70 EDIDRO CCOCCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000160420305 276315096 /nfs/dbraw/zinc/31/50/96/276315096.db2.gz OGZFWDXFIQVJLV-UHFFFAOYSA-N 1 0 341.477 1.143 20 70 EDIDRO COc1cc(C)cc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000159848732 277373363 /nfs/dbraw/zinc/37/33/63/277373363.db2.gz VGCIFVDRPYXQDO-HNNXBMFYSA-N 1 0 334.464 1.439 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000160802823 279037006 /nfs/dbraw/zinc/03/70/06/279037006.db2.gz LRWUXJIUVBCKRT-AWEZNQCLSA-N 1 0 330.388 1.649 20 70 EDIDRO CCOC(=O)CCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000159362461 441805930 /nfs/dbraw/zinc/80/59/30/441805930.db2.gz PQALYNRIENAHIZ-HNNXBMFYSA-N 1 0 325.453 1.134 20 70 EDIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000160253871 441867935 /nfs/dbraw/zinc/86/79/35/441867935.db2.gz IMJOYYGBTCBJRG-CQSZACIVSA-N 1 0 331.420 1.385 20 70 EDIDRO CCC(=O)c1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160313738 441870926 /nfs/dbraw/zinc/87/09/26/441870926.db2.gz UVPPETXUDNETCV-MRXNPFEDSA-N 1 0 348.443 1.621 20 70 EDIDRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000159748752 441835370 /nfs/dbraw/zinc/83/53/70/441835370.db2.gz BKIVYGMRVHBUCY-STQMWFEESA-N 1 0 339.461 1.060 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000160605086 441900666 /nfs/dbraw/zinc/90/06/66/441900666.db2.gz VAUOAIGMEOVPPA-CYBMUJFWSA-N 1 0 328.359 1.865 20 70 EDIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000160659593 441906191 /nfs/dbraw/zinc/90/61/91/441906191.db2.gz DWVBGNOUHAOKPJ-MRXNPFEDSA-N 1 0 344.459 1.708 20 70 EDIDRO Cc1cc(Br)oc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160666266 441907243 /nfs/dbraw/zinc/90/72/43/441907243.db2.gz KDZJRCDMKCOGIW-UHFFFAOYSA-N 1 0 345.237 1.785 20 70 EDIDRO C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160760187 441917854 /nfs/dbraw/zinc/91/78/54/441917854.db2.gz XBCBYBWCYAFHRX-OTYXRUKQSA-N 1 0 332.372 1.108 20 70 EDIDRO C[C@@H]1OCCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000160814938 441923686 /nfs/dbraw/zinc/92/36/86/441923686.db2.gz RHBMWXVFZUWUAQ-GJZGRUSLSA-N 1 0 347.463 1.152 20 70 EDIDRO CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160375516 441875571 /nfs/dbraw/zinc/87/55/71/441875571.db2.gz PTSOKKJTHSVTOQ-HKMNZKMDSA-N 1 0 345.443 1.621 20 70 EDIDRO COc1ccc(CCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160448865 441884168 /nfs/dbraw/zinc/88/41/68/441884168.db2.gz GNDZTVWVJPFGCG-KRWDZBQOSA-N 1 0 334.460 1.981 20 70 EDIDRO CCOCCO[C@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000160553556 441896251 /nfs/dbraw/zinc/89/62/51/441896251.db2.gz QMNHYNDEOZQATA-AWEZNQCLSA-N 1 0 339.440 1.104 20 70 EDIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000160558306 441896862 /nfs/dbraw/zinc/89/68/62/441896862.db2.gz WQKDGORAUVSEFI-UHFFFAOYSA-N 1 0 343.435 1.904 20 70 EDIDRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160571438 441898069 /nfs/dbraw/zinc/89/80/69/441898069.db2.gz LQPJKPRZUJUAFK-TUKIKUTGSA-N 1 0 335.835 1.811 20 70 EDIDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC000160585934 441898708 /nfs/dbraw/zinc/89/87/08/441898708.db2.gz RBDBHZSXAVNMEF-AWEZNQCLSA-N 1 0 344.459 1.736 20 70 EDIDRO CNC(=O)c1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000161244484 441976206 /nfs/dbraw/zinc/97/62/06/441976206.db2.gz SZLKFTKHLROERD-CQSZACIVSA-N 1 0 327.450 1.040 20 70 EDIDRO CCOC(=O)c1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000161236061 441976502 /nfs/dbraw/zinc/97/65/02/441976502.db2.gz SBARLNHTTGDTRD-OAHLLOKOSA-N 1 0 342.461 1.857 20 70 EDIDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000161253319 441977109 /nfs/dbraw/zinc/97/71/09/441977109.db2.gz CHMBFBZFPSUBOB-UHFFFAOYSA-N 1 0 347.394 1.326 20 70 EDIDRO Cn1c(=O)cccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000161009006 441946751 /nfs/dbraw/zinc/94/67/51/441946751.db2.gz BSUIIZIGNKLYHV-UHFFFAOYSA-N 1 0 331.391 1.728 20 70 EDIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)C(C)(C)O1 ZINC000161021845 441947864 /nfs/dbraw/zinc/94/78/64/441947864.db2.gz RGSATDHIIDAGFI-AWEZNQCLSA-N 1 0 333.432 1.337 20 70 EDIDRO Cc1conc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000161133324 441960398 /nfs/dbraw/zinc/96/03/98/441960398.db2.gz RPGLYPJIUSQCNQ-ZDUSSCGKSA-N 1 0 334.420 1.835 20 70 EDIDRO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)Oc1ccccc1Br ZINC000161143935 441963989 /nfs/dbraw/zinc/96/39/89/441963989.db2.gz DXAXKVMFUZSQCX-MFKMUULPSA-N 1 0 343.221 1.321 20 70 EDIDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000161279575 441980669 /nfs/dbraw/zinc/98/06/69/441980669.db2.gz SVTYQNCTIAQPSQ-ZBFHGGJFSA-N 1 0 345.443 1.791 20 70 EDIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000161316863 441984673 /nfs/dbraw/zinc/98/46/73/441984673.db2.gz DPUWVRWRDTWMQH-MRXNPFEDSA-N 1 0 335.492 1.968 20 70 EDIDRO Cc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1N1CCNC1=O ZINC000161330089 441986192 /nfs/dbraw/zinc/98/61/92/441986192.db2.gz BJQRJHWVMXNGQS-BBRMVZONSA-N 1 0 344.459 1.983 20 70 EDIDRO CC(C)c1nnnn1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161490724 442004704 /nfs/dbraw/zinc/00/47/04/442004704.db2.gz RHJJGSFATRTVHG-UHFFFAOYSA-N 1 0 348.495 1.956 20 70 EDIDRO C[NH+](C)[C@@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000161214143 318424464 /nfs/dbraw/zinc/42/44/64/318424464.db2.gz RMCDONPMRYFXMZ-KRWDZBQOSA-N 1 0 327.428 1.917 20 70 EDIDRO COc1cc(/C=C\C(=O)NC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000218236535 443057767 /nfs/dbraw/zinc/05/77/67/443057767.db2.gz DPKGROJZBMGHEQ-WAYWQWQTSA-N 1 0 334.416 1.936 20 70 EDIDRO CS[C@H]1CCC[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000159570096 534095141 /nfs/dbraw/zinc/09/51/41/534095141.db2.gz LNLQHMBNYLYPOS-JSGCOSHPSA-N 1 0 337.493 1.915 20 70 EDIDRO CCc1ncc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000161129952 529758489 /nfs/dbraw/zinc/75/84/89/529758489.db2.gz FVDNPFXOJOIROM-CVEARBPZSA-N 1 0 347.463 1.928 20 70 EDIDRO COC1CC[NH+](CCNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161153199 540030945 /nfs/dbraw/zinc/03/09/45/540030945.db2.gz QTRNWEIRIYXOAO-XHSDSOJGSA-N 1 0 337.464 1.354 20 70 EDIDRO CCNS(=O)(=O)c1cccc(C(=O)NCC([NH3+])(CC)CC)c1 ZINC000160445380 272929586 /nfs/dbraw/zinc/92/95/86/272929586.db2.gz UMMVCGVFHIKTHU-UHFFFAOYSA-N 1 0 327.450 1.232 20 70 EDIDRO CO[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000218581994 277340951 /nfs/dbraw/zinc/34/09/51/277340951.db2.gz WMZCGLVONGBNSI-MNOVXSKESA-N 1 0 336.816 1.606 20 70 EDIDRO O=C(N[C@@H]1CCc2ncnn2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161127812 279922626 /nfs/dbraw/zinc/92/26/26/279922626.db2.gz YQWNXNZQAIERES-CABCVRRESA-N 1 0 332.452 1.253 20 70 EDIDRO COc1ccnc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1 ZINC000161391237 302926382 /nfs/dbraw/zinc/92/63/82/302926382.db2.gz YBJAQIBMMPSJEQ-HNNXBMFYSA-N 1 0 343.431 1.186 20 70 EDIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1SCCc2ccccc21 ZINC000160346428 303784877 /nfs/dbraw/zinc/78/48/77/303784877.db2.gz MHOVSQNYNDAQTN-NVXWUHKLSA-N 1 0 334.485 1.980 20 70 EDIDRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000159491589 441816082 /nfs/dbraw/zinc/81/60/82/441816082.db2.gz YGGLQWNXGMMACV-AWEZNQCLSA-N 1 0 345.509 1.359 20 70 EDIDRO O=C(c1ccc(CN2CCCC2=O)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159528436 441820106 /nfs/dbraw/zinc/82/01/06/441820106.db2.gz WWTPJKYSTIEPJN-CALCHBBNSA-N 1 0 327.428 1.776 20 70 EDIDRO CN1C(=O)COc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc21 ZINC000159570618 441820930 /nfs/dbraw/zinc/82/09/30/441820930.db2.gz PXVIWWBNDURHKD-UBHSHLNASA-N 1 0 329.400 1.901 20 70 EDIDRO C[N@H+](CC(=O)NCCc1nnc2n1CCCCC2)[C@@H]1CCSC1 ZINC000159438997 441813570 /nfs/dbraw/zinc/81/35/70/441813570.db2.gz NUMHBIKOSRVHOH-CYBMUJFWSA-N 1 0 337.493 1.101 20 70 EDIDRO CCC(CC)(C[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C(=O)OC ZINC000159672576 441829284 /nfs/dbraw/zinc/82/92/84/441829284.db2.gz KKSHBNOPCXPQIN-LSDHHAIUSA-N 1 0 340.464 1.725 20 70 EDIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160829418 441926246 /nfs/dbraw/zinc/92/62/46/441926246.db2.gz FCVLPPBHTZFDKG-STQMWFEESA-N 1 0 329.404 1.757 20 70 EDIDRO CN(C)C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160637220 441904420 /nfs/dbraw/zinc/90/44/20/441904420.db2.gz VEOPPMJMHXKKPF-OAHLLOKOSA-N 1 0 341.415 1.357 20 70 EDIDRO CC(C)Cn1ncc(C(=O)NCC2CC[NH+](CCO)CC2)c1C1CC1 ZINC000160757222 441918354 /nfs/dbraw/zinc/91/83/54/441918354.db2.gz XNFRFEMDDYYIEI-UHFFFAOYSA-N 1 0 348.491 1.851 20 70 EDIDRO C[NH2+]C[C@@H](C)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000160433273 441881353 /nfs/dbraw/zinc/88/13/53/441881353.db2.gz POKJNWQXHHQNFG-SKDRFNHKSA-N 1 0 328.796 1.116 20 70 EDIDRO CCc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cnn1CC(C)C ZINC000160428655 441881516 /nfs/dbraw/zinc/88/15/16/441881516.db2.gz ZMZDSSGHNOEFTI-OAHLLOKOSA-N 1 0 336.480 1.678 20 70 EDIDRO CC(=O)N[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000160491538 441888790 /nfs/dbraw/zinc/88/87/90/441888790.db2.gz XYECBRYVNCKJOU-IXDOHACOSA-N 1 0 339.480 1.031 20 70 EDIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2cc(Cl)nc(N)n2)C[C@@H](C)O1 ZINC000160489403 441888942 /nfs/dbraw/zinc/88/89/42/441888942.db2.gz YOIKDFIJDIOJDU-UTUOFQBUSA-N 1 0 325.844 1.790 20 70 EDIDRO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160579560 441899121 /nfs/dbraw/zinc/89/91/21/441899121.db2.gz OLYJTFJGPOXWAA-CYBMUJFWSA-N 1 0 336.480 1.036 20 70 EDIDRO CN1C[C@H]([NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)CCC1=O ZINC000161206632 441972588 /nfs/dbraw/zinc/97/25/88/441972588.db2.gz LAXZTWQLFCZEDS-SJLPKXTDSA-N 1 0 329.444 1.951 20 70 EDIDRO CC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000161252848 441977558 /nfs/dbraw/zinc/97/75/58/441977558.db2.gz UKGCBVBUTPDOSJ-CABCVRRESA-N 1 0 333.432 1.170 20 70 EDIDRO Cc1nn(C)c(=O)c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1C ZINC000160958065 441940114 /nfs/dbraw/zinc/94/01/14/441940114.db2.gz POEIFMQCYFKYIS-XIKOKIGWSA-N 1 0 334.464 1.637 20 70 EDIDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000160966524 441941904 /nfs/dbraw/zinc/94/19/04/441941904.db2.gz BDXMKSJWZLNCRD-HNNXBMFYSA-N 1 0 337.508 1.975 20 70 EDIDRO C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000161263356 441978420 /nfs/dbraw/zinc/97/84/20/441978420.db2.gz ACMCXFYHIQQLCU-KRWDZBQOSA-N 1 0 325.412 1.596 20 70 EDIDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000161076824 441953522 /nfs/dbraw/zinc/95/35/22/441953522.db2.gz NKCHOYORERZNDI-CYBMUJFWSA-N 1 0 339.461 1.845 20 70 EDIDRO CC[C@](C)(O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000161092279 441956713 /nfs/dbraw/zinc/95/67/13/441956713.db2.gz SJFUVBNYNCNLBY-LBPRGKRZSA-N 1 0 346.415 1.436 20 70 EDIDRO Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000161152255 441964130 /nfs/dbraw/zinc/96/41/30/441964130.db2.gz NOFUCNXSMPXGQG-GHMZBOCLSA-N 1 0 326.422 1.041 20 70 EDIDRO CCC[NH+]1CCC(NC(=O)Cc2cccc(OCC(=O)NC)c2)CC1 ZINC000161187342 441968179 /nfs/dbraw/zinc/96/81/79/441968179.db2.gz XBOGXNMRRCOXDU-UHFFFAOYSA-N 1 0 347.459 1.345 20 70 EDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NC(=O)Nc1ccccc1 ZINC000161368841 441990959 /nfs/dbraw/zinc/99/09/59/441990959.db2.gz KHJVZCNXGODKGN-UHFFFAOYSA-N 1 0 339.399 1.552 20 70 EDIDRO CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161401827 441997111 /nfs/dbraw/zinc/99/71/11/441997111.db2.gz FZJNTKYDZMQSDV-VNHYZAJKSA-N 1 0 325.478 1.728 20 70 EDIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc2c1N=S=N2 ZINC000161418808 441997992 /nfs/dbraw/zinc/99/79/92/441997992.db2.gz KBBWBMPIZIFDEF-GFCCVEGCSA-N 1 0 330.435 1.004 20 70 EDIDRO Cn1cnc(-c2cccc(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)c2)n1 ZINC000161433771 441999703 /nfs/dbraw/zinc/99/97/03/441999703.db2.gz VRUXGXNXYIBOLA-HNNXBMFYSA-N 1 0 344.419 1.276 20 70 EDIDRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000161466363 442003306 /nfs/dbraw/zinc/00/33/06/442003306.db2.gz GTOBDVAWFIJWTR-DEOSSOPVSA-N 1 0 342.464 1.879 20 70 EDIDRO O=C(NCCN1CC[NH2+]CC1)NCc1cccc(Br)c1 ZINC000217315001 443057025 /nfs/dbraw/zinc/05/70/25/443057025.db2.gz CRFRFWUIQPEFJK-UHFFFAOYSA-N 1 0 341.253 1.154 20 70 EDIDRO O=C(Nc1ccccc1I)N1CC[NH2+]CC1 ZINC000217272759 485542203 /nfs/dbraw/zinc/54/22/03/485542203.db2.gz VFKCYTNDMLIHHJ-UHFFFAOYSA-N 1 0 331.157 1.728 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C1 ZINC000161018000 486642148 /nfs/dbraw/zinc/64/21/48/486642148.db2.gz ARHFMJWIXDDTJD-NWDGAFQWSA-N 1 0 336.823 1.869 20 70 EDIDRO CCOc1ccccc1N1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000161160345 486642884 /nfs/dbraw/zinc/64/28/84/486642884.db2.gz GUSDAQNIBFKNPQ-ILXRZTDVSA-N 1 0 345.443 1.824 20 70 EDIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000161388127 486644257 /nfs/dbraw/zinc/64/42/57/486644257.db2.gz AHKNOTIQCGSGEL-HUUCEWRRSA-N 1 0 326.400 1.291 20 70 EDIDRO COc1ccc(Cl)cc1N1C[C@H](C(=O)NCC(C)(C)[NH3+])CC1=O ZINC000159990399 533867618 /nfs/dbraw/zinc/86/76/18/533867618.db2.gz JZRMUXJNCVRNMH-SNVBAGLBSA-N 1 0 339.823 1.555 20 70 EDIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000160971635 528228816 /nfs/dbraw/zinc/22/88/16/528228816.db2.gz BSAMMRJSZQOCRR-UHFFFAOYSA-N 1 0 340.493 1.742 20 70 EDIDRO CC[C@@H](CO)[NH+]1CCN([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000159741300 529510215 /nfs/dbraw/zinc/51/02/15/529510215.db2.gz GQYCNUVUKPCUTL-YJBOKZPZSA-N 1 0 349.450 1.710 20 70 EDIDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159813643 529895467 /nfs/dbraw/zinc/89/54/67/529895467.db2.gz ITRONBMNJWCDKG-YOEHRIQHSA-N 1 0 341.473 1.952 20 70 EDIDRO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@H](O)C3CC3)C2=O)c1 ZINC000160829201 540026386 /nfs/dbraw/zinc/02/63/86/540026386.db2.gz ZIIDRLRMUPBLRZ-SJORKVTESA-N 1 0 334.416 1.512 20 70 EDIDRO COc1cccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161292347 540032178 /nfs/dbraw/zinc/03/21/78/540032178.db2.gz KZELMSVFMRGZIP-UHFFFAOYSA-N 1 0 326.400 1.851 20 70 EDIDRO COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1O ZINC000159450417 533404792 /nfs/dbraw/zinc/40/47/92/533404792.db2.gz ZBZAOFIYJHUTFG-HOTGVXAUSA-N 1 0 348.443 1.899 20 70 EDIDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCN(C)CCOC)cc1 ZINC000159382919 225207753 /nfs/dbraw/zinc/20/77/53/225207753.db2.gz CWTGYGRQPSAGDB-AWEZNQCLSA-N 1 0 343.493 1.677 20 70 EDIDRO CCc1noc(C)c1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159947999 225307838 /nfs/dbraw/zinc/30/78/38/225307838.db2.gz CJKLXDVMCCFHLU-UHFFFAOYSA-N 1 0 336.436 1.909 20 70 EDIDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])cc(S(=O)(=O)N(C)C)c1C ZINC000160377802 225399147 /nfs/dbraw/zinc/39/91/47/225399147.db2.gz UDQPCFKUORZMDL-AWEZNQCLSA-N 1 0 339.461 1.117 20 70 EDIDRO O=C(CSc1ccc(F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160455142 272929716 /nfs/dbraw/zinc/92/97/16/272929716.db2.gz MTBAGYCKVHCPFY-AWEZNQCLSA-N 1 0 326.437 1.881 20 70 EDIDRO CCc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000160492118 272929860 /nfs/dbraw/zinc/92/98/60/272929860.db2.gz HOEOWIYDNNWHTI-CQSZACIVSA-N 1 0 335.448 1.665 20 70 EDIDRO CN1C(=O)C[C@H](C(=O)N2CCC([NH+](C)C)CC2)[C@@H]1c1cccs1 ZINC000159537544 289066940 /nfs/dbraw/zinc/06/69/40/289066940.db2.gz CWRFSQRWEGUULR-XJKSGUPXSA-N 1 0 335.473 1.820 20 70 EDIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000159438774 441812777 /nfs/dbraw/zinc/81/27/77/441812777.db2.gz YBYGWHUPWGVLEY-LBPRGKRZSA-N 1 0 338.839 1.768 20 70 EDIDRO COC(=O)CCc1nnc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])s1 ZINC000159460888 441815222 /nfs/dbraw/zinc/81/52/22/441815222.db2.gz BQFGCADOJRLIQM-QWRGUYRKSA-N 1 0 340.449 1.880 20 70 EDIDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)CC1 ZINC000160089351 441858537 /nfs/dbraw/zinc/85/85/37/441858537.db2.gz UARXUCGLHUPXBG-FUHWJXTLSA-N 1 0 330.476 1.814 20 70 EDIDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCS(C)(=O)=O)CC1 ZINC000160155576 441862859 /nfs/dbraw/zinc/86/28/59/441862859.db2.gz BZPZVSSWCQAPBE-OAHLLOKOSA-N 1 0 344.521 1.924 20 70 EDIDRO COc1cccc([C@H](O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000159777525 441837250 /nfs/dbraw/zinc/83/72/50/441837250.db2.gz NWFKOJXRULNUSG-SFHVURJKSA-N 1 0 348.443 1.299 20 70 EDIDRO COCCN(CCOC)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159986552 441852050 /nfs/dbraw/zinc/85/20/50/441852050.db2.gz GIZFVBDKMWGKQO-AEFFLSMTSA-N 1 0 349.475 1.811 20 70 EDIDRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C)c1 ZINC000160603625 441901175 /nfs/dbraw/zinc/90/11/75/441901175.db2.gz LISOOBPFDATJBG-MRXNPFEDSA-N 1 0 338.473 1.429 20 70 EDIDRO Cc1nc(CN(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC000160653171 441905165 /nfs/dbraw/zinc/90/51/65/441905165.db2.gz GGIOVWQKZGMCCQ-HNNXBMFYSA-N 1 0 331.420 1.229 20 70 EDIDRO CCS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000160657698 441905728 /nfs/dbraw/zinc/90/57/28/441905728.db2.gz VDCGRBIWZTZJFC-HNNXBMFYSA-N 1 0 338.473 1.481 20 70 EDIDRO Cc1nc(CN(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)no1 ZINC000160653285 441906091 /nfs/dbraw/zinc/90/60/91/441906091.db2.gz GGIOVWQKZGMCCQ-OAHLLOKOSA-N 1 0 331.420 1.229 20 70 EDIDRO COc1ccc2c(ccn2CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160667742 441906728 /nfs/dbraw/zinc/90/67/28/441906728.db2.gz UHRSLLGWSKQKMO-INIZCTEOSA-N 1 0 345.443 1.613 20 70 EDIDRO Cn1c(=O)cccc1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000160369638 441875225 /nfs/dbraw/zinc/87/52/25/441875225.db2.gz VVYCNFYDAYSGHQ-UHFFFAOYSA-N 1 0 343.402 1.919 20 70 EDIDRO C[C@H]1CCO[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000160405221 441877732 /nfs/dbraw/zinc/87/77/32/441877732.db2.gz SSYNETKDZREKES-WMLDXEAASA-N 1 0 332.448 1.217 20 70 EDIDRO CN1CC[NH+](CCCCNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160406504 441879067 /nfs/dbraw/zinc/87/90/67/441879067.db2.gz JWSIJPACQXAHRG-UHFFFAOYSA-N 1 0 329.366 1.861 20 70 EDIDRO C[C@H](CNC(=O)c1cccc2c1oc(=O)n2C)C[NH+]1CCCCC1 ZINC000160528926 441893118 /nfs/dbraw/zinc/89/31/18/441893118.db2.gz VMQFPGBVGZIUNR-CYBMUJFWSA-N 1 0 331.416 1.983 20 70 EDIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000160539786 441893623 /nfs/dbraw/zinc/89/36/23/441893623.db2.gz QHWDKCAYBWNYBG-DOMZBBRYSA-N 1 0 325.359 1.352 20 70 EDIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160549595 441894655 /nfs/dbraw/zinc/89/46/55/441894655.db2.gz QBOWSBCVXKBAPK-HNNXBMFYSA-N 1 0 349.406 1.072 20 70 EDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(Cc3ccccn3)C[C@@H]1C)CC2 ZINC000160541286 441895269 /nfs/dbraw/zinc/89/52/69/441895269.db2.gz JPSPPRJKHUCEGQ-BMGDILEWSA-N 1 0 340.475 1.797 20 70 EDIDRO COc1ccc([C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)NC(C)=O)cc1 ZINC000160548360 441895285 /nfs/dbraw/zinc/89/52/85/441895285.db2.gz VXFCJASCBDYBFC-SOLBZPMBSA-N 1 0 345.443 1.615 20 70 EDIDRO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cnccn1 ZINC000161240463 441976025 /nfs/dbraw/zinc/97/60/25/441976025.db2.gz FFBKXDZCAWBEGP-AWEZNQCLSA-N 1 0 327.432 1.619 20 70 EDIDRO COc1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c(OC2CCCC2)c1 ZINC000160900106 441933530 /nfs/dbraw/zinc/93/35/30/441933530.db2.gz FRXGZIWYJJARGH-XJKSGUPXSA-N 1 0 334.416 1.356 20 70 EDIDRO CCOC(=O)NCCCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160899749 441934081 /nfs/dbraw/zinc/93/40/81/441934081.db2.gz MTQUOHXOIMMUJC-ZNMIVQPWSA-N 1 0 327.469 1.995 20 70 EDIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000160929763 441937856 /nfs/dbraw/zinc/93/78/56/441937856.db2.gz ILLSYVJAVIYPHT-LSDHHAIUSA-N 1 0 345.509 1.325 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000160976889 441942675 /nfs/dbraw/zinc/94/26/75/441942675.db2.gz SUNGYXMAXSRFCX-PMPSAXMXSA-N 1 0 345.443 1.300 20 70 EDIDRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000160993253 441945654 /nfs/dbraw/zinc/94/56/54/441945654.db2.gz HBVSLMVTTJPICW-HNNXBMFYSA-N 1 0 342.443 1.702 20 70 EDIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000161013242 441946426 /nfs/dbraw/zinc/94/64/26/441946426.db2.gz NVGYAOOMVLGJCM-MFKMUULPSA-N 1 0 341.358 1.493 20 70 EDIDRO O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161059857 441951285 /nfs/dbraw/zinc/95/12/85/441951285.db2.gz DFCKRRNYNWBUDU-HUUCEWRRSA-N 1 0 332.452 1.253 20 70 EDIDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000161080223 441953832 /nfs/dbraw/zinc/95/38/32/441953832.db2.gz YKDMJBVWVRXNDQ-UHFFFAOYSA-N 1 0 339.461 1.845 20 70 EDIDRO CCc1ccc([C@@H](NC(=O)C[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000161273234 441979973 /nfs/dbraw/zinc/97/99/73/441979973.db2.gz LBEQBNSJDNMBPV-GOSISDBHSA-N 1 0 346.452 1.817 20 70 EDIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000161321811 441984429 /nfs/dbraw/zinc/98/44/29/441984429.db2.gz ACZBVQIZNYZSBG-AWEZNQCLSA-N 1 0 330.432 1.389 20 70 EDIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2cccc(N3CCCC3=O)c2)C1 ZINC000161352378 486644005 /nfs/dbraw/zinc/64/40/05/486644005.db2.gz OSVYLBNTPKDXKT-KGLIPLIRSA-N 1 0 331.416 1.578 20 70 EDIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)CCCc2ccccc2)C1 ZINC000161495296 486644777 /nfs/dbraw/zinc/64/47/77/486644777.db2.gz IBVJQRIECIZQKN-JKSUJKDBSA-N 1 0 338.473 1.420 20 70 EDIDRO COc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159410953 534167757 /nfs/dbraw/zinc/16/77/57/534167757.db2.gz AWAMBYYVQCUYIM-CQSZACIVSA-N 1 0 333.432 1.728 20 70 EDIDRO C[C@@H]1Oc2ccccc2N(CC(=O)NCC2([NH3+])CCCCC2)C1=O ZINC000159615409 534213746 /nfs/dbraw/zinc/21/37/46/534213746.db2.gz ZTTXWJLLAROCOD-ZDUSSCGKSA-N 1 0 331.416 1.578 20 70 EDIDRO O=C(CCCOc1cccc(F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159990358 534369229 /nfs/dbraw/zinc/36/92/29/534369229.db2.gz ULQPYRQMLSGYCW-MRXNPFEDSA-N 1 0 338.423 1.948 20 70 EDIDRO Cc1cnccc1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000161370349 534697956 /nfs/dbraw/zinc/69/79/56/534697956.db2.gz BAUIUTMGKONQLC-INIZCTEOSA-N 1 0 346.475 1.733 20 70 EDIDRO CC(C)C[NH+]1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160863373 527995344 /nfs/dbraw/zinc/99/53/44/527995344.db2.gz OEXMNFAMNGLNHP-UHFFFAOYSA-N 1 0 347.385 1.922 20 70 EDIDRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC[NH3+] ZINC000160134387 528357438 /nfs/dbraw/zinc/35/74/38/528357438.db2.gz SOZKIAWQYGCMOG-CQSZACIVSA-N 1 0 325.840 1.950 20 70 EDIDRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCCC[NH2+]1)CC2 ZINC000160883454 528385783 /nfs/dbraw/zinc/38/57/83/528385783.db2.gz IRLZFNDKSVBWLR-CQSZACIVSA-N 1 0 337.445 1.016 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(=O)c2ccccc2F)CC1 ZINC000159727697 529025135 /nfs/dbraw/zinc/02/51/35/529025135.db2.gz GIDKZEAGUNJPDQ-UHFFFAOYSA-N 1 0 336.411 1.293 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000159581732 529029081 /nfs/dbraw/zinc/02/90/81/529029081.db2.gz KCEHEGVRVMCYOB-UHFFFAOYSA-N 1 0 331.464 1.919 20 70 EDIDRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000160119872 529998003 /nfs/dbraw/zinc/99/80/03/529998003.db2.gz IWKQPIWOHUUPSU-UHFFFAOYSA-N 1 0 346.475 1.804 20 70 EDIDRO CNC(=O)c1cccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000159453931 540009562 /nfs/dbraw/zinc/00/95/62/540009562.db2.gz OJGUMKPUOWWQDM-SJORKVTESA-N 1 0 329.444 1.674 20 70 EDIDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc2C1 ZINC000161297354 540032688 /nfs/dbraw/zinc/03/26/88/540032688.db2.gz ZFCIWLXNEJLEFO-UHFFFAOYSA-N 1 0 336.439 1.789 20 70 EDIDRO C[C@@H]1C[C@@H](NC(=O)N2CCn3cnnc3C2)C[N@@H+]1Cc1ccccc1 ZINC000159912679 533614596 /nfs/dbraw/zinc/61/45/96/533614596.db2.gz KMELPOIPGONJID-GDBMZVCRSA-N 1 0 340.431 1.466 20 70 EDIDRO Cc1onc(-c2ccncc2)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160282468 225379277 /nfs/dbraw/zinc/37/92/77/225379277.db2.gz DAEXPKXRCFOKSZ-HNNXBMFYSA-N 1 0 344.415 1.622 20 70 EDIDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160075417 225331284 /nfs/dbraw/zinc/33/12/84/225331284.db2.gz UZJNOLAQJDHPIZ-ZFWWWQNUSA-N 1 0 349.406 1.215 20 70 EDIDRO COC1(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000161401704 225620503 /nfs/dbraw/zinc/62/05/03/225620503.db2.gz MSKRSIGPNXZWJO-GFCCVEGCSA-N 1 0 326.824 1.992 20 70 EDIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000160534412 267502647 /nfs/dbraw/zinc/50/26/47/267502647.db2.gz ZCCQSCYVHFDGAN-NSHDSACASA-N 1 0 332.322 1.827 20 70 EDIDRO Cc1cccc(NC(=O)NCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160370541 272929611 /nfs/dbraw/zinc/92/96/11/272929611.db2.gz GRNIBLUEMTWFQX-MRXNPFEDSA-N 1 0 348.447 1.080 20 70 EDIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)CC2 ZINC000160306202 274854146 /nfs/dbraw/zinc/85/41/46/274854146.db2.gz ZKUQUZPGWSQMOJ-CMPLNLGQSA-N 1 0 348.838 1.957 20 70 EDIDRO COc1ccc2c(c1)C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)CO2 ZINC000160378760 277960236 /nfs/dbraw/zinc/96/02/36/277960236.db2.gz RGVDHDPJSPEACC-HZPDHXFCSA-N 1 0 348.443 1.209 20 70 EDIDRO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)CN1CCOCC1 ZINC000160826311 278277162 /nfs/dbraw/zinc/27/71/62/278277162.db2.gz XZGONFSOFKTUOM-HOTGVXAUSA-N 1 0 338.496 1.271 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159572338 279285071 /nfs/dbraw/zinc/28/50/71/279285071.db2.gz CINDUIIIWONFQK-IYBDPMFKSA-N 1 0 340.512 1.611 20 70 EDIDRO C[C@@]12CCC(=O)N1[C@H](C(=O)NCC[NH2+]C1CCCCCC1)CS2 ZINC000159647505 289220464 /nfs/dbraw/zinc/22/04/64/289220464.db2.gz HVXWBDMXJWWGBH-WMLDXEAASA-N 1 0 339.505 1.869 20 70 EDIDRO COC(=O)c1ccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000159377534 441807390 /nfs/dbraw/zinc/80/73/90/441807390.db2.gz JAJULTRYAJAXEX-QGZVFWFLSA-N 1 0 345.443 1.387 20 70 EDIDRO CCOC(=O)CCCS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160131239 441861420 /nfs/dbraw/zinc/86/14/20/441861420.db2.gz CCNNYZGQCHZGNH-HNNXBMFYSA-N 1 0 346.493 1.610 20 70 EDIDRO CC[N@@H+]1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)CC1 ZINC000159794992 441837710 /nfs/dbraw/zinc/83/77/10/441837710.db2.gz QAMGPWZAWRMECB-UHFFFAOYSA-N 1 0 333.436 1.456 20 70 EDIDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000160788550 441921944 /nfs/dbraw/zinc/92/19/44/441921944.db2.gz PFOOGSPQICCKNQ-AWEZNQCLSA-N 1 0 332.379 1.885 20 70 EDIDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(CO)cc2)C1 ZINC000160429973 441882314 /nfs/dbraw/zinc/88/23/14/441882314.db2.gz LSEZLRHHIIPKNS-QGZVFWFLSA-N 1 0 336.432 1.031 20 70 EDIDRO C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160479705 441886708 /nfs/dbraw/zinc/88/67/08/441886708.db2.gz MZHWYKSKFRLQNM-KXBFYZLASA-N 1 0 331.460 1.990 20 70 EDIDRO Cc1conc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000161205848 441972117 /nfs/dbraw/zinc/97/21/17/441972117.db2.gz ZKNYOHJPYAOAGK-HNNXBMFYSA-N 1 0 342.399 1.702 20 70 EDIDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000161241447 441976341 /nfs/dbraw/zinc/97/63/41/441976341.db2.gz DYJXCHNUJHZSTJ-OWCLPIDISA-N 1 0 347.525 1.585 20 70 EDIDRO CC(C)COC[C@@H](O)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160914983 441935205 /nfs/dbraw/zinc/93/52/05/441935205.db2.gz AYCDSUXRDCZZTP-IRXDYDNUSA-N 1 0 343.512 1.830 20 70 EDIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H](C)CCO)CC1 ZINC000161258943 441978588 /nfs/dbraw/zinc/97/85/88/441978588.db2.gz IQWRBVIQYVDVFC-LSDHHAIUSA-N 1 0 334.464 1.925 20 70 EDIDRO CSCC[C@H]([NH3+])C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000161064337 441951972 /nfs/dbraw/zinc/95/19/72/441951972.db2.gz PLMRPSPJIMBBIF-AWEZNQCLSA-N 1 0 327.494 1.318 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1 ZINC000161120002 441959252 /nfs/dbraw/zinc/95/92/52/441959252.db2.gz GUSUJUIZOJBKOV-UHFFFAOYSA-N 1 0 330.494 1.582 20 70 EDIDRO CC[NH2+]CC1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000161119265 441959509 /nfs/dbraw/zinc/95/95/09/441959509.db2.gz HZIYXHKIPZJBKW-GASCZTMLSA-N 1 0 335.448 1.010 20 70 EDIDRO Cc1nn(C)c2nc(C)cc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c12 ZINC000161386320 441993781 /nfs/dbraw/zinc/99/37/81/441993781.db2.gz SSIPMXRDVUWPBP-PBWFPOADSA-N 1 0 327.432 1.940 20 70 EDIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000161418140 441998446 /nfs/dbraw/zinc/99/84/46/441998446.db2.gz YNHHXANJGRQAPX-LBPRGKRZSA-N 1 0 341.260 1.584 20 70 EDIDRO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CCC[N@@H+]3C[C@H]1C)CC2 ZINC000161433956 441999076 /nfs/dbraw/zinc/99/90/76/441999076.db2.gz OSCRMNBEMRDQLG-RBSFLKMASA-N 1 0 346.479 1.594 20 70 EDIDRO Cc1cnc2c(cccc2S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000161433304 441999150 /nfs/dbraw/zinc/99/91/50/441999150.db2.gz WMCZVYAPBTVUNR-INIZCTEOSA-N 1 0 337.445 1.134 20 70 EDIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000161297771 441982558 /nfs/dbraw/zinc/98/25/58/441982558.db2.gz IFTKZRMQNVBAPO-AWEZNQCLSA-N 1 0 338.415 1.686 20 70 EDIDRO Cc1c(C)c(C)c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)c1C ZINC000160819398 486639266 /nfs/dbraw/zinc/63/92/66/486639266.db2.gz LUHJNSCTLWCGDI-HZPDHXFCSA-N 1 0 340.489 1.965 20 70 EDIDRO C[C@@H](CNC(=O)c1csc(S(C)(=O)=O)c1)C[NH+]1CCCC1 ZINC000159421036 534050420 /nfs/dbraw/zinc/05/04/20/534050420.db2.gz YFWDYVUCLPGSFI-NSHDSACASA-N 1 0 330.475 1.613 20 70 EDIDRO O=C(c1cccc2[nH]c(=O)oc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000160250076 534740716 /nfs/dbraw/zinc/74/07/16/534740716.db2.gz SJUXTWAIFUYJHA-UHFFFAOYSA-N 1 0 331.372 1.058 20 70 EDIDRO CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160062286 526680820 /nfs/dbraw/zinc/68/08/20/526680820.db2.gz SHIUOONOIDQGLA-IRXDYDNUSA-N 1 0 347.484 1.689 20 70 EDIDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)OCc2ccccc2)C1 ZINC000159603103 528017683 /nfs/dbraw/zinc/01/76/83/528017683.db2.gz YLKMJKGHLASFNT-GOSISDBHSA-N 1 0 349.475 1.523 20 70 EDIDRO CC(C)c1ncc(Cl)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000160090145 528354066 /nfs/dbraw/zinc/35/40/66/528354066.db2.gz CKFFVHZDAVCQEQ-GFCCVEGCSA-N 1 0 340.855 1.830 20 70 EDIDRO