smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COc1ccccc1 ZINC000036159419 518800443 /nfs/dbraw/zinc/80/04/43/518800443.db2.gz SQTXOHKJSBOFLH-INIZCTEOSA-N 1 2 425.554 3.291 50 30 IGEALO C=CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COc1ccccc1 ZINC000036159419 518800450 /nfs/dbraw/zinc/80/04/50/518800450.db2.gz SQTXOHKJSBOFLH-INIZCTEOSA-N 1 2 425.554 3.291 50 30 IGEALO CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000020932454 520901290 /nfs/dbraw/zinc/90/12/90/520901290.db2.gz USPSDFBZJFBVHG-FQEVSTJZSA-N 1 2 437.496 3.067 50 30 IGEALO CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000020932454 520901291 /nfs/dbraw/zinc/90/12/91/520901291.db2.gz USPSDFBZJFBVHG-FQEVSTJZSA-N 1 2 437.496 3.067 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccn2)cc1F ZINC000013693250 523555151 /nfs/dbraw/zinc/55/51/51/523555151.db2.gz MNZUHISZZJXJOH-HXUWFJFHSA-N 1 2 436.443 3.094 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccncc3)ccc2O1 ZINC000013110730 524977664 /nfs/dbraw/zinc/97/76/64/524977664.db2.gz XVROKXSANWHAFJ-AOMKIAJQSA-N 1 2 444.491 3.270 50 30 IGEALO Cc1ncc(C[NH+]2CCN(CCC#N)CC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095472520 527258532 /nfs/dbraw/zinc/25/85/32/527258532.db2.gz DHBHNXPIUHSOCD-UHFFFAOYSA-N 1 2 446.507 3.170 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000019883897 556937856 /nfs/dbraw/zinc/93/78/56/556937856.db2.gz HFVVTKOTNKTJRD-LJQANCHMSA-N 1 2 430.501 3.188 50 30 IGEALO COc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3O)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020309159 557007223 /nfs/dbraw/zinc/00/72/23/557007223.db2.gz VZFMRKIFWXVXPG-IBGZPJMESA-N 1 2 430.888 3.194 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000096309644 557197990 /nfs/dbraw/zinc/19/79/90/557197990.db2.gz VEIUKVZTNZQKPE-NRFANRHFSA-N 1 2 431.448 3.280 50 30 IGEALO O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000096309644 557197994 /nfs/dbraw/zinc/19/79/94/557197994.db2.gz VEIUKVZTNZQKPE-NRFANRHFSA-N 1 2 431.448 3.280 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102651998 557361618 /nfs/dbraw/zinc/36/16/18/557361618.db2.gz DIAXDLJRKHQXKY-MPFCKMIDSA-N 1 2 444.491 3.114 50 30 IGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102858049 557399213 /nfs/dbraw/zinc/39/92/13/557399213.db2.gz AZNXSFSIWNAEBN-NHFXJNLRSA-N 1 2 437.452 3.005 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccn1 ZINC000008742567 562963894 /nfs/dbraw/zinc/96/38/94/562963894.db2.gz UYTFYWYFAFFTPV-JOCHJYFZSA-N 1 2 447.491 3.128 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009450941 562971390 /nfs/dbraw/zinc/97/13/90/562971390.db2.gz LXPASGDRIXDLRW-ZSBAHVMLSA-N 1 2 435.615 3.324 50 30 IGEALO Oc1cccc2c1C[C@@H]1C[C@H]2CN(c2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)C1 ZINC000008869089 569159681 /nfs/dbraw/zinc/15/96/81/569159681.db2.gz DWBUQVMRBHLKPC-IRFCIJBXSA-N 1 2 434.588 3.380 50 30 IGEALO Oc1cccc2c1C[C@@H]1C[C@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)[nH+]2)C1 ZINC000008869089 569159682 /nfs/dbraw/zinc/15/96/82/569159682.db2.gz DWBUQVMRBHLKPC-IRFCIJBXSA-N 1 2 434.588 3.380 50 30 IGEALO COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000020101264 569334013 /nfs/dbraw/zinc/33/40/13/569334013.db2.gz IYRZNZRLXUESER-HXUWFJFHSA-N 1 2 442.537 3.057 50 30 IGEALO COc1ccccc1[C@H]1C(C(=O)c2cc(Cl)ccc2O)=C(O)C(=O)N1CC[NH+](C)C ZINC000020309168 569359573 /nfs/dbraw/zinc/35/95/73/569359573.db2.gz ZTQLNSKCYQJULF-IBGZPJMESA-N 1 2 430.888 3.194 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1)c1ccncc1 ZINC000020392049 569363323 /nfs/dbraw/zinc/36/33/23/569363323.db2.gz DQJLRRZEGMXMMY-HXUWFJFHSA-N 1 2 441.915 3.036 50 30 IGEALO CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000008942716 569488702 /nfs/dbraw/zinc/48/87/02/569488702.db2.gz CBZYWWMWCZTULI-QHCPKHFHSA-N 1 2 440.617 3.459 50 30 IGEALO C=CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156916 518996479 /nfs/dbraw/zinc/99/64/79/518996479.db2.gz MUIGZNJXDWFGAA-GOSISDBHSA-N 1 2 439.581 3.429 50 30 IGEALO C=CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156916 518996483 /nfs/dbraw/zinc/99/64/83/518996483.db2.gz MUIGZNJXDWFGAA-GOSISDBHSA-N 1 2 439.581 3.429 50 30 IGEALO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1C#N ZINC000012683568 525682490 /nfs/dbraw/zinc/68/24/90/525682490.db2.gz KDGMGMCIJGJNNV-QFIPXVFZSA-N 1 2 446.555 3.412 50 30 IGEALO Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1C#N ZINC000012683568 525682497 /nfs/dbraw/zinc/68/24/97/525682497.db2.gz KDGMGMCIJGJNNV-QFIPXVFZSA-N 1 2 446.555 3.412 50 30 IGEALO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)o1 ZINC000095190721 525984128 /nfs/dbraw/zinc/98/41/28/525984128.db2.gz JWEDXTFCUFSIMF-NRFANRHFSA-N 1 2 449.463 3.224 50 30 IGEALO N#Cc1ccc(/C=C2/CN(CC[NH+]3CCOCC3)C/C(=C/c3ccc(C#N)cc3)C2=O)cc1 ZINC000096034921 526585642 /nfs/dbraw/zinc/58/56/42/526585642.db2.gz ULBUMTWKLYZCNA-YXHOTNNGSA-N 1 2 438.531 3.114 50 30 IGEALO C=CCNC(=O)NC(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000009118373 555509294 /nfs/dbraw/zinc/50/92/94/555509294.db2.gz HBPXBEMXDCWFSV-HNNXBMFYSA-N 1 2 446.552 3.057 50 30 IGEALO CN(C)c1ccc(C=[NH+]NC2=NC(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S2)cc1 ZINC000008974229 556237905 /nfs/dbraw/zinc/23/79/05/556237905.db2.gz SONYEJHECFQDAQ-QQZPLFJDSA-N 1 2 429.933 3.356 50 30 IGEALO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000032986523 556606020 /nfs/dbraw/zinc/60/60/20/556606020.db2.gz FTPCMJNQKPNTQE-HSZRJFAPSA-N 1 2 434.540 3.153 50 30 IGEALO CC[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000018116369 556684205 /nfs/dbraw/zinc/68/42/05/556684205.db2.gz KCABGURKQYBMHO-GOSISDBHSA-N 1 2 427.482 3.086 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000019927865 556945680 /nfs/dbraw/zinc/94/56/80/556945680.db2.gz DRCSYXVNQMIMIC-NRFANRHFSA-N 1 2 442.462 3.265 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000019927934 556945850 /nfs/dbraw/zinc/94/58/50/556945850.db2.gz FWHRNIJERFTWQU-OAQYLSRUSA-N 1 2 442.462 3.265 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccn2)cc1C ZINC000096295622 557194265 /nfs/dbraw/zinc/19/42/65/557194265.db2.gz CEKBHIWJHRTRDT-OAQYLSRUSA-N 1 2 432.480 3.264 50 30 IGEALO CCCCCn1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2c1=O ZINC000014240086 557327771 /nfs/dbraw/zinc/32/77/71/557327771.db2.gz UDFOUKMRSKTWRS-UHFFFAOYSA-N 1 2 443.551 3.416 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102505393 557339685 /nfs/dbraw/zinc/33/96/85/557339685.db2.gz LFJQUVIZKAPBMQ-YDJIHCHBSA-N 1 2 432.436 3.303 50 30 IGEALO C=CCn1c(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)nnc1C1CCCCC1 ZINC000014250788 568825582 /nfs/dbraw/zinc/82/55/82/568825582.db2.gz QUBZUIGRZVQUNA-UHFFFAOYSA-N 1 2 426.590 3.348 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 ZINC000104187996 568900741 /nfs/dbraw/zinc/90/07/41/568900741.db2.gz YLUWNVITJIDRND-LFVOPCPISA-N 1 2 430.888 3.077 50 30 IGEALO C[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002376213 569289415 /nfs/dbraw/zinc/28/94/15/569289415.db2.gz RFDDSOKKPJPZHR-IBGZPJMESA-N 1 2 441.944 3.074 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)c3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009422299 569532834 /nfs/dbraw/zinc/53/28/34/569532834.db2.gz LJGXNRLGHZKEHM-FWRKBDRZSA-N 1 2 449.985 3.321 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)c3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009422300 569532855 /nfs/dbraw/zinc/53/28/55/569532855.db2.gz LJGXNRLGHZKEHM-BZHIBMDNSA-N 1 2 449.985 3.321 50 30 IGEALO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036206603 518801863 /nfs/dbraw/zinc/80/18/63/518801863.db2.gz OFVBSYOUAHTEDI-INIZCTEOSA-N 1 2 443.569 3.434 50 30 IGEALO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036206603 518801873 /nfs/dbraw/zinc/80/18/73/518801873.db2.gz OFVBSYOUAHTEDI-INIZCTEOSA-N 1 2 443.569 3.434 50 30 IGEALO C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156919 518988890 /nfs/dbraw/zinc/98/88/90/518988890.db2.gz MUIGZNJXDWFGAA-SFHVURJKSA-N 1 2 439.581 3.429 50 30 IGEALO C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156919 518988894 /nfs/dbraw/zinc/98/88/94/518988894.db2.gz MUIGZNJXDWFGAA-SFHVURJKSA-N 1 2 439.581 3.429 50 30 IGEALO CC(C)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102880291 519839490 /nfs/dbraw/zinc/83/94/90/519839490.db2.gz LBSLSBWCSDPCHZ-ZHHPLPSFSA-N 1 2 449.551 3.349 50 30 IGEALO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccc2F)c(C)n1 ZINC000013688912 527223232 /nfs/dbraw/zinc/22/32/32/527223232.db2.gz GMCGGDWOPOFUAA-FQEVSTJZSA-N 1 2 435.459 3.098 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1F ZINC000019348012 556743472 /nfs/dbraw/zinc/74/34/72/556743472.db2.gz BRNPJHCTICTXMC-IBGZPJMESA-N 1 2 430.501 3.188 50 30 IGEALO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Br)c1 ZINC000014141848 557309603 /nfs/dbraw/zinc/30/96/03/557309603.db2.gz DNKDUZGIAQQKHB-UHFFFAOYSA-N 1 2 428.330 3.352 50 30 IGEALO Cc1noc(C=Cc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c1NC(=O)C1CC1 ZINC000033171119 557326719 /nfs/dbraw/zinc/32/67/19/557326719.db2.gz UEUCXJAZOSQZJC-YHYXMXQVSA-N 1 2 430.530 3.088 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccco3)ccc2O1 ZINC000102771505 557382033 /nfs/dbraw/zinc/38/20/33/557382033.db2.gz NHKCOMLHHONYQB-UGUUBBIDSA-N 1 2 433.464 3.312 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccncc1 ZINC000008690271 562963255 /nfs/dbraw/zinc/96/32/55/562963255.db2.gz VQMNUKHZIMLCII-JOCHJYFZSA-N 1 2 447.491 3.128 50 30 IGEALO COc1ccccc1Nc1nc(NCC[NH+]2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020625330 524651268 /nfs/dbraw/zinc/65/12/68/524651268.db2.gz HXXSFCNQRJFHNP-UHFFFAOYSA-N 1 2 437.544 3.301 50 30 IGEALO Cc1cc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n2c3ccccc3nc2c1C#N ZINC000012629859 525077265 /nfs/dbraw/zinc/07/72/65/525077265.db2.gz XKKWYPVXDQKJID-KDURUIRLSA-N 1 2 444.583 3.294 50 30 IGEALO COc1cccc(Nc2nc(NCC[NH+]3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)c1 ZINC000020649460 526213508 /nfs/dbraw/zinc/21/35/08/526213508.db2.gz PNVAGYXCABFNIB-UHFFFAOYSA-N 1 2 437.544 3.301 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000095395303 527672372 /nfs/dbraw/zinc/67/23/72/527672372.db2.gz ZMLJMHDTXSUHPT-FQEVSTJZSA-N 1 2 432.436 3.460 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000008952310 556236169 /nfs/dbraw/zinc/23/61/69/556236169.db2.gz VGTRETWOTUERTB-LJQANCHMSA-N 1 2 430.501 3.188 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000015894517 556562240 /nfs/dbraw/zinc/56/22/40/556562240.db2.gz LXPASGDRIXDLRW-ZPTLURPKSA-N 1 2 435.615 3.324 50 30 IGEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000019216331 556711976 /nfs/dbraw/zinc/71/19/76/556711976.db2.gz BUWKSUMDXSGIQO-HXUWFJFHSA-N 1 2 428.460 3.028 50 30 IGEALO N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)oc1NCCCn1cc[nH+]c1 ZINC000012421080 557837673 /nfs/dbraw/zinc/83/76/73/557837673.db2.gz ACFJEKJGUNPAQB-UHFFFAOYSA-N 1 2 440.529 3.087 50 30 IGEALO CCOc1cc(/C=N/O)ccc1OCC#C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000002129693 569184275 /nfs/dbraw/zinc/18/42/75/569184275.db2.gz IUMMRDLSWMGRRM-VBYICHLGSA-N 1 2 438.480 3.242 50 30 IGEALO CCOc1cc(/C=N/O)ccc1OCC#C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000002129693 569184276 /nfs/dbraw/zinc/18/42/76/569184276.db2.gz IUMMRDLSWMGRRM-VBYICHLGSA-N 1 2 438.480 3.242 50 30 IGEALO Cc1cc2[nH+]cn(C[C@@H](NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)C3CC3)c2cc1C ZINC000079045731 569323075 /nfs/dbraw/zinc/32/30/75/569323075.db2.gz JSFRFBDEFWKOOR-JOCHJYFZSA-N 1 2 431.540 3.358 50 30 IGEALO Cc1cc2[nH+]cn(C[C@H](NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)C3CC3)c2cc1C ZINC000079045724 569323159 /nfs/dbraw/zinc/32/31/59/569323159.db2.gz JSFRFBDEFWKOOR-QFIPXVFZSA-N 1 2 431.540 3.358 50 30 IGEALO O=S(=O)(c1cccnc1)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NCc1ccccc1 ZINC000097077891 569402904 /nfs/dbraw/zinc/40/29/04/569402904.db2.gz OXORIKSXBFITFH-DEOSSOPVSA-N 1 2 447.564 3.029 50 30 IGEALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000028637174 569415863 /nfs/dbraw/zinc/41/58/63/569415863.db2.gz DLLJYCBQELJKHF-KRWDZBQOSA-N 1 2 426.492 3.319 50 30 IGEALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000028637174 569415864 /nfs/dbraw/zinc/41/58/64/569415864.db2.gz DLLJYCBQELJKHF-KRWDZBQOSA-N 1 2 426.492 3.319 50 30 IGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)c1 ZINC000008858583 569479882 /nfs/dbraw/zinc/47/98/82/569479882.db2.gz MQQVHNALICZNRR-HXUWFJFHSA-N 1 2 442.537 3.057 50 30 IGEALO Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009008320 569496209 /nfs/dbraw/zinc/49/62/09/569496209.db2.gz DCZKVXXHJJRAOR-YDJIHCHBSA-N 1 2 426.538 3.201 50 30 IGEALO CCOc1cc(/C=N/O)ccc1OCC#C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000009033425 569497146 /nfs/dbraw/zinc/49/71/46/569497146.db2.gz IUMMRDLSWMGRRM-MJDKSPQASA-N 1 2 438.480 3.242 50 30 IGEALO CCOc1cc(/C=N/O)ccc1OCC#C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000009033425 569497147 /nfs/dbraw/zinc/49/71/47/569497147.db2.gz IUMMRDLSWMGRRM-MJDKSPQASA-N 1 2 438.480 3.242 50 30 IGEALO C=CCNC(=O)NC(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000009118376 569503295 /nfs/dbraw/zinc/50/32/95/569503295.db2.gz HBPXBEMXDCWFSV-OAHLLOKOSA-N 1 2 446.552 3.057 50 30 IGEALO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206602 518800667 /nfs/dbraw/zinc/80/06/67/518800667.db2.gz OFVBSYOUAHTEDI-MRXNPFEDSA-N 1 2 443.569 3.434 50 30 IGEALO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206602 518800676 /nfs/dbraw/zinc/80/06/76/518800676.db2.gz OFVBSYOUAHTEDI-MRXNPFEDSA-N 1 2 443.569 3.434 50 30 IGEALO C=CCn1c(SCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)nnc1-c1ccco1 ZINC000021556785 519208706 /nfs/dbraw/zinc/20/87/06/519208706.db2.gz GMDAKFMLMPSUQE-IBGZPJMESA-N 1 2 434.525 3.456 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccnc2)cc1F ZINC000013689547 523557828 /nfs/dbraw/zinc/55/78/28/523557828.db2.gz LRLNVEUBCDMUAT-HXUWFJFHSA-N 1 2 436.443 3.094 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2F)cc1 ZINC000012535799 526021393 /nfs/dbraw/zinc/02/13/93/526021393.db2.gz PIDQNTGBLHXUJO-JOCHJYFZSA-N 1 2 438.499 3.435 50 30 IGEALO N#Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000021526177 526742745 /nfs/dbraw/zinc/74/27/45/526742745.db2.gz LGXJIEXACWAORV-UHFFFAOYSA-N 1 2 449.511 3.482 50 30 IGEALO N#Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000021526177 526742752 /nfs/dbraw/zinc/74/27/52/526742752.db2.gz LGXJIEXACWAORV-UHFFFAOYSA-N 1 2 449.511 3.482 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000000778997 555554495 /nfs/dbraw/zinc/55/44/95/555554495.db2.gz LLVZVFIUFYRNDP-QFIPXVFZSA-N 1 2 438.499 3.435 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000000778998 555554532 /nfs/dbraw/zinc/55/45/32/555554532.db2.gz LLVZVFIUFYRNDP-JOCHJYFZSA-N 1 2 438.499 3.435 50 30 IGEALO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2O)[C@H]1c1ccncc1 ZINC000020309107 557007162 /nfs/dbraw/zinc/00/71/62/557007162.db2.gz XSRNYRXQPBOJRN-OAQYLSRUSA-N 1 2 431.492 3.470 50 30 IGEALO COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCC[NH+]2CCOCC2)cc1Cl ZINC000046134490 557041280 /nfs/dbraw/zinc/04/12/80/557041280.db2.gz OLDVAWUFFNDWAY-UHFFFAOYSA-N 1 2 444.963 3.496 50 30 IGEALO O=C(N=C(NCC[NH+]1CCOCC1)Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000046134844 557041688 /nfs/dbraw/zinc/04/16/88/557041688.db2.gz ATGANWODVQLXIU-UHFFFAOYSA-N 1 2 438.425 3.375 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102508357 557349029 /nfs/dbraw/zinc/34/90/29/557349029.db2.gz JJLOGVLMDFNQAE-SELCWUDQSA-N 1 2 438.465 3.365 50 30 IGEALO CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102518955 557350987 /nfs/dbraw/zinc/35/09/87/557350987.db2.gz PSRAYGWNWYPRBO-JBCNATCCSA-N 1 2 440.565 3.455 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccco2)c(OC)c1 ZINC000102753668 557383979 /nfs/dbraw/zinc/38/39/79/557383979.db2.gz JUXGDJVBPZEAJZ-YDJIHCHBSA-N 1 2 437.452 3.005 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102797471 557388769 /nfs/dbraw/zinc/38/87/69/557388769.db2.gz MSHWJKYIGYCOEE-MOBKVPTQSA-N 1 2 447.491 3.412 50 30 IGEALO COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102797471 557388772 /nfs/dbraw/zinc/38/87/72/557388772.db2.gz MSHWJKYIGYCOEE-MOBKVPTQSA-N 1 2 447.491 3.412 50 30 IGEALO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012936826 568866199 /nfs/dbraw/zinc/86/61/99/568866199.db2.gz FCJYFBPRSHLDPG-UHFFFAOYSA-N 1 2 446.473 3.159 50 30 IGEALO Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009069666 569500129 /nfs/dbraw/zinc/50/01/29/569500129.db2.gz DCZKVXXHJJRAOR-NHFXJNLRSA-N 1 2 426.538 3.201 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)c3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009422298 569532832 /nfs/dbraw/zinc/53/28/32/569532832.db2.gz LJGXNRLGHZKEHM-XCJAOTHZSA-N 1 2 449.985 3.321 50 30 IGEALO Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020023688 525985662 /nfs/dbraw/zinc/98/56/62/525985662.db2.gz NBHOYWCFFLGPCO-FQEVSTJZSA-N 1 2 426.538 3.357 50 30 IGEALO O=C(N=C(NCc1ccncc1)Nc1ccc(F)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000035481034 527660432 /nfs/dbraw/zinc/66/04/32/527660432.db2.gz UAYDHCKVNKDKLI-UHFFFAOYSA-N 1 2 447.514 3.451 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 ZINC000012776142 527670852 /nfs/dbraw/zinc/67/08/52/527670852.db2.gz OZKMBEPJLQNUJQ-HXUWFJFHSA-N 1 2 441.915 3.036 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000090530615 527671744 /nfs/dbraw/zinc/67/17/44/527671744.db2.gz LFSZLDJSHWDDDA-JOCHJYFZSA-N 1 2 445.475 3.323 50 30 IGEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000090530615 527671747 /nfs/dbraw/zinc/67/17/47/527671747.db2.gz LFSZLDJSHWDDDA-JOCHJYFZSA-N 1 2 445.475 3.323 50 30 IGEALO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1 ZINC000004196923 555975561 /nfs/dbraw/zinc/97/55/61/555975561.db2.gz WPCKKULYOPALPD-OAQYLSRUSA-N 1 2 431.492 3.053 50 30 IGEALO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2)s1 ZINC000008859465 556228085 /nfs/dbraw/zinc/22/80/85/556228085.db2.gz QVSHJOAHLGNTIZ-IBGZPJMESA-N 1 2 441.553 3.061 50 30 IGEALO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1C#N ZINC000072313887 556694756 /nfs/dbraw/zinc/69/47/56/556694756.db2.gz JXMTXYJXPGJEGB-SFHVURJKSA-N 1 2 435.507 3.100 50 30 IGEALO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c1C#N ZINC000072313887 556694758 /nfs/dbraw/zinc/69/47/58/556694758.db2.gz JXMTXYJXPGJEGB-SFHVURJKSA-N 1 2 435.507 3.100 50 30 IGEALO COc1ccc(NC(=NC(=O)c2cccc(C)c2)NCC[NH+]2CCOCC2)cc1Cl ZINC000046134497 557041240 /nfs/dbraw/zinc/04/12/40/557041240.db2.gz DLHSIRAIIFHBCK-UHFFFAOYSA-N 1 2 430.936 3.187 50 30 IGEALO CCc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000046134518 557041333 /nfs/dbraw/zinc/04/13/33/557041333.db2.gz XPACZKSYFKUBJH-UHFFFAOYSA-N 1 2 444.963 3.441 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(I)cc3)CC2)cc1 ZINC000017843277 557125993 /nfs/dbraw/zinc/12/59/93/557125993.db2.gz RMBQBHAQMLAEPY-UHFFFAOYSA-N 1 2 431.277 3.121 50 30 IGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(NCCCn2cc[nH+]c2)C[C@H]1C ZINC000604404043 557246550 /nfs/dbraw/zinc/24/65/50/557246550.db2.gz AANKNXLTUOWNMT-DMZKTXOQSA-N 1 2 445.903 3.040 50 30 IGEALO COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000104175857 557452158 /nfs/dbraw/zinc/45/21/58/557452158.db2.gz OWBISYYDKDZOHG-NHFXJNLRSA-N 1 2 437.452 3.005 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c(O)c1 ZINC000020309602 569359776 /nfs/dbraw/zinc/35/97/76/569359776.db2.gz FAUXACYGAAKWGC-LJQANCHMSA-N 1 2 430.888 3.194 50 30 IGEALO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccnc2)c1 ZINC000008951528 569489913 /nfs/dbraw/zinc/48/99/13/569489913.db2.gz RVTQGYCRYRAIIR-OAQYLSRUSA-N 1 2 432.480 3.345 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009173850 569509659 /nfs/dbraw/zinc/50/96/59/569509659.db2.gz ILKFJEGBHXZILG-ZHHPLPSFSA-N 1 2 434.536 3.447 50 30 IGEALO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3CCC4(CC3)OCCO4)c21 ZINC000082059167 521397754 /nfs/dbraw/zinc/39/77/54/521397754.db2.gz ZDSIZVDVCOPSMS-UHFFFAOYSA-N 1 2 445.516 3.099 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccco2)cc1F ZINC000013685278 523557615 /nfs/dbraw/zinc/55/76/15/523557615.db2.gz OWUOLPGOUGVRGT-LJQANCHMSA-N 1 2 425.416 3.292 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000012377902 526022920 /nfs/dbraw/zinc/02/29/20/526022920.db2.gz SRLMPJMOXXKYDM-FQEVSTJZSA-N 1 2 426.538 3.357 50 30 IGEALO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000013689967 527223523 /nfs/dbraw/zinc/22/35/23/527223523.db2.gz KZMRLBOOEHSXHU-FQEVSTJZSA-N 1 2 435.459 3.098 50 30 IGEALO N#Cc1ccc(NC(=O)Cn2c(C[NH+]3CCCC3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000032747333 556315888 /nfs/dbraw/zinc/31/58/88/556315888.db2.gz OUQVZKUJNCYTPO-UHFFFAOYSA-N 1 2 447.564 3.443 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CC3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000015894404 556561997 /nfs/dbraw/zinc/56/19/97/556561997.db2.gz PFVOIHMNXBYXST-DQBSXFRDSA-N 1 2 435.615 3.324 50 30 IGEALO Cc1cc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)n2c3ccccc3nc2c1C#N ZINC000024974938 557342902 /nfs/dbraw/zinc/34/29/02/557342902.db2.gz AXRCHWMQVAQYMT-UHFFFAOYSA-N 1 2 438.535 3.106 50 30 IGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(OC)c2)c1 ZINC000102534331 557344495 /nfs/dbraw/zinc/34/44/95/557344495.db2.gz CBYGMHKZFHIOFC-MOBKVPTQSA-N 1 2 447.491 3.412 50 30 IGEALO O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000102708011 557367255 /nfs/dbraw/zinc/36/72/55/557367255.db2.gz DDVVKUUTRNNUGI-FGBDSKPWSA-N 1 2 428.510 3.041 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009424603 562970374 /nfs/dbraw/zinc/97/03/74/562970374.db2.gz NWLCRJHSOYZHBJ-OAQYLSRUSA-N 1 2 435.553 3.119 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102886264 568621858 /nfs/dbraw/zinc/62/18/58/568621858.db2.gz DRRUVVIFLWMNEU-NHFXJNLRSA-N 1 2 432.436 3.303 50 30 IGEALO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccnc2)c1 ZINC000006134327 568845047 /nfs/dbraw/zinc/84/50/47/568845047.db2.gz RVTQGYCRYRAIIR-NRFANRHFSA-N 1 2 432.480 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COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C#CC(C)(C)O)s1)[N@@H+](C)CC3)OCO2 ZINC000020111883 569334480 /nfs/dbraw/zinc/33/44/80/569334480.db2.gz IXXMKPUQHAWBNS-INIZCTEOSA-N 1 2 427.522 3.410 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Cl)c1)c1ccncc1 ZINC000020358879 569361813 /nfs/dbraw/zinc/36/18/13/569361813.db2.gz JXOCCLVFAVOMKQ-HXUWFJFHSA-N 1 2 441.915 3.036 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2cccc(C)c2)CC1 ZINC000008871149 569480689 /nfs/dbraw/zinc/48/06/89/569480689.db2.gz ZHQUHFSWOYALRU-NRFANRHFSA-N 1 2 435.553 3.119 50 30 IGEALO C=CCOC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](C)O)nc(=O)c2c1C ZINC000036207351 518980871 /nfs/dbraw/zinc/98/08/71/518980871.db2.gz QKVNCLBQAVRJSF-AWEZNQCLSA-N 1 2 427.526 3.019 50 30 IGEALO C=CCOC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](C)O)nc(=O)c2c1C ZINC000036207351 518980878 /nfs/dbraw/zinc/98/08/78/518980878.db2.gz QKVNCLBQAVRJSF-AWEZNQCLSA-N 1 2 427.526 3.019 50 30 IGEALO COc1ccc(Nc2nc(NCC[NH+]3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000020646485 524720693 /nfs/dbraw/zinc/72/06/93/524720693.db2.gz LSOZHOHMDLIOEO-UHFFFAOYSA-N 1 2 437.544 3.301 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccnc3)ccc2O1 ZINC000013110709 524978328 /nfs/dbraw/zinc/97/83/28/524978328.db2.gz QVBYWDGEQKGMRN-KSFYIVLOSA-N 1 2 444.491 3.270 50 30 IGEALO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000013692979 527605630 /nfs/dbraw/zinc/60/56/30/527605630.db2.gz RVWMMRHZOQBANY-HXUWFJFHSA-N 1 2 437.475 3.041 50 30 IGEALO COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020064997 556978161 /nfs/dbraw/zinc/97/81/61/556978161.db2.gz UUFHKFRYLVNXBJ-HXUWFJFHSA-N 1 2 442.537 3.057 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000020309598 557007250 /nfs/dbraw/zinc/00/72/50/557007250.db2.gz XWLFBEKVVQBFTB-LJQANCHMSA-N 1 2 430.888 3.194 50 30 IGEALO CCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=[NH+]CCCO)C2=O)cc1 ZINC000100064725 557239227 /nfs/dbraw/zinc/23/92/27/557239227.db2.gz HWOSMLDWQWQUEA-LJQANCHMSA-N 1 2 427.526 3.110 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccco1 ZINC000102881468 557407772 /nfs/dbraw/zinc/40/77/72/557407772.db2.gz NYYQSEILCSGWPM-MRJHHRETSA-N 1 2 436.464 3.170 50 30 IGEALO Cc1ccc(C)c(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C)CC2)c1 ZINC000002414391 569301316 /nfs/dbraw/zinc/30/13/16/569301316.db2.gz YHMAFOBSSPFWOB-NRFANRHFSA-N 1 2 435.553 3.037 50 30 IGEALO CCOC(=O)[C@@]1(C(F)(F)F)N=C(NC(=[NH2+])Nc2ccccc2)OC(c2ccccc2)=N1 ZINC000020069549 569333286 /nfs/dbraw/zinc/33/32/86/569333286.db2.gz YFSPBKYWYCQTRL-IBGZPJMESA-N 1 2 433.390 3.068 50 30 IGEALO COc1ccccc1[C@@H]1C(C(=O)c2cc(Cl)ccc2O)=C(O)C(=O)N1CC[NH+](C)C ZINC000020309170 569359636 /nfs/dbraw/zinc/35/96/36/569359636.db2.gz ZTQLNSKCYQJULF-LJQANCHMSA-N 1 2 430.888 3.194 50 30 IGEALO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)CC(=O)NC(C)(C)C ZINC000028637276 569415869 /nfs/dbraw/zinc/41/58/69/569415869.db2.gz APUXJGOJGFERGS-UHFFFAOYSA-N 1 2 439.560 3.150 50 30 IGEALO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)CC(=O)NC(C)(C)C ZINC000028637276 569415871 /nfs/dbraw/zinc/41/58/71/569415871.db2.gz APUXJGOJGFERGS-UHFFFAOYSA-N 1 2 439.560 3.150 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009236544 569514122 /nfs/dbraw/zinc/51/41/22/569514122.db2.gz JWTOCYVSBFDTRW-JBCNATCCSA-N 1 2 440.927 3.484 50 30 IGEALO C[C@@H](C(=O)Nc1sccc1C#N)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009578746 569548394 /nfs/dbraw/zinc/54/83/94/569548394.db2.gz WJTSCJCKWUWIIV-ZDUSSCGKSA-N 1 2 426.498 3.026 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccn2)cc1C ZINC000102803342 523373753 /nfs/dbraw/zinc/37/37/53/523373753.db2.gz HQENQDMUCJNWOJ-MRJHHRETSA-N 1 2 432.480 3.107 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccco3)ccc2O1 ZINC000095346182 525516961 /nfs/dbraw/zinc/51/69/61/525516961.db2.gz XEYQQLDFDXCYJJ-VFNWGFHPSA-N 1 2 433.464 3.468 50 30 IGEALO COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3CN3CC[NH+](C)CC3)C1=O)cn2C ZINC000020647446 525597882 /nfs/dbraw/zinc/59/78/82/525597882.db2.gz AWGLVRNIGBEMOU-FSJBWODESA-N 1 2 433.508 3.256 50 30 IGEALO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000013689966 527223123 /nfs/dbraw/zinc/22/31/23/527223123.db2.gz KZMRLBOOEHSXHU-HXUWFJFHSA-N 1 2 435.459 3.098 50 30 IGEALO CCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N[NH+]=Cc3ccc(N(C)C)cc3)S2)cc1 ZINC000004087655 555960595 /nfs/dbraw/zinc/96/05/95/555960595.db2.gz WQIAWHLMBZYICI-WQZUMXOESA-N 1 2 439.541 3.102 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 ZINC000008871757 556230034 /nfs/dbraw/zinc/23/00/34/556230034.db2.gz QAVCBESGSMRITO-LJQANCHMSA-N 1 2 430.888 3.234 50 30 IGEALO Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022928526 556402998 /nfs/dbraw/zinc/40/29/98/556402998.db2.gz MFSPDQNVIKAMOE-UHFFFAOYSA-N 1 2 448.958 3.368 50 30 IGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccnc2)cc1 ZINC000101288125 557268180 /nfs/dbraw/zinc/26/81/80/557268180.db2.gz LXKXICXJIRWQRC-HOGKFDNTSA-N 1 2 444.491 3.355 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccnc3)ccc2O1 ZINC000102549368 557349076 /nfs/dbraw/zinc/34/90/76/557349076.db2.gz DIAXDLJRKHQXKY-JZFJIDBXSA-N 1 2 444.491 3.114 50 30 IGEALO COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1OC ZINC000102805052 557386974 /nfs/dbraw/zinc/38/69/74/557386974.db2.gz XNEZIBWAMVJPKD-LFVOPCPISA-N 1 2 437.452 3.005 50 30 IGEALO CCOC(=O)[C@]1(C(F)(F)F)N=C(NC(=[NH2+])Nc2ccccc2)OC(c2ccccc2)=N1 ZINC000020069551 569333274 /nfs/dbraw/zinc/33/32/74/569333274.db2.gz YFSPBKYWYCQTRL-LJQANCHMSA-N 1 2 433.390 3.068 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000020171875 569354443 /nfs/dbraw/zinc/35/44/43/569354443.db2.gz ZUQPFIZLUYKDEK-OAQYLSRUSA-N 1 2 442.462 3.265 50 30 IGEALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000097077125 569402926 /nfs/dbraw/zinc/40/29/26/569402926.db2.gz XCKNMYVRGUHJEH-NRFANRHFSA-N 1 2 448.976 3.446 50 30 IGEALO Cn1cc(/C=C2\Oc3cc(OCC(=O)NCCn4cc[nH+]c4)ccc3C2=O)c2ccccc21 ZINC000504593982 569447699 /nfs/dbraw/zinc/44/76/99/569447699.db2.gz LPMCSQHFAGGKGR-FMCGGJTJSA-N 1 2 442.475 3.186 50 30 IGEALO N#Cc1c2c(c(-c3ccccc3)nc1N1CC[NH+](CC(=O)N3CCCCC3)CC1)CCC2 ZINC000006759541 132278677 /nfs/dbraw/zinc/27/86/77/132278677.db2.gz PSBODHXXPXJZED-UHFFFAOYSA-N 1 2 429.568 3.243 50 30 IGEALO CN(C)c1ccc(C=[NH+]NC2=NC(=O)C[C@H](C(=O)Nc3ccccc3Cl)S2)cc1 ZINC000008974228 556237981 /nfs/dbraw/zinc/23/79/81/556237981.db2.gz SONYEJHECFQDAQ-ORWNMUSCSA-N 1 2 429.933 3.356 50 30 IGEALO [NH2+]=C(NOC(=O)COc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000009272546 556271424 /nfs/dbraw/zinc/27/14/24/556271424.db2.gz BEEHTDQRGRFTSI-UHFFFAOYSA-N 1 2 428.626 3.253 50 30 IGEALO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011765668 556654822 /nfs/dbraw/zinc/65/48/22/556654822.db2.gz ZCSKLOJOZFVEDK-UHFFFAOYSA-N 1 2 447.564 3.450 50 30 IGEALO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000011765668 556654825 /nfs/dbraw/zinc/65/48/25/556654825.db2.gz ZCSKLOJOZFVEDK-UHFFFAOYSA-N 1 2 447.564 3.450 50 30 IGEALO CC(=[NH+]Nc1nnc(SCC(=O)NCc2ccc(Cl)cc2)[nH]1)c1ccc(N)cc1 ZINC000020159866 556993412 /nfs/dbraw/zinc/99/34/12/556993412.db2.gz MZYYEIKVBFZHJR-WYMPLXKRSA-N 1 2 429.937 3.285 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102652001 557361624 /nfs/dbraw/zinc/36/16/24/557361624.db2.gz DIAXDLJRKHQXKY-MFNABZLCSA-N 1 2 444.491 3.114 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccco2)cc1F ZINC000102737126 557379567 /nfs/dbraw/zinc/37/95/67/557379567.db2.gz GYZCPPIMUWDSMO-WOOAAIBNSA-N 1 2 425.416 3.136 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccc2)c(OC)c1 ZINC000102740185 557380594 /nfs/dbraw/zinc/38/05/94/557380594.db2.gz YRWLRZYTKYFBAD-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)o1 ZINC000102750678 557382858 /nfs/dbraw/zinc/38/28/58/557382858.db2.gz NGFHZZRKXRULLF-GROYHEBESA-N 1 2 426.498 3.370 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000102874455 557396576 /nfs/dbraw/zinc/39/65/76/557396576.db2.gz XZOVSWMDIRCMAT-LFVOPCPISA-N 1 2 430.501 3.031 50 30 IGEALO O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000102860217 557399905 /nfs/dbraw/zinc/39/99/05/557399905.db2.gz IFDRHFYLIBNJFH-LFVOPCPISA-N 1 2 430.888 3.077 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccco1 ZINC000102881472 557407677 /nfs/dbraw/zinc/40/76/77/557407677.db2.gz NYYQSEILCSGWPM-JBCNATCCSA-N 1 2 436.464 3.170 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006445676 568907622 /nfs/dbraw/zinc/90/76/22/568907622.db2.gz OCRBKVPXMNDJIJ-MRJHHRETSA-N 1 2 442.462 3.109 50 30 IGEALO O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1Cl ZINC000020083763 569333832 /nfs/dbraw/zinc/33/38/32/569333832.db2.gz FXOXYMJIPYFYPK-LJQANCHMSA-N 1 2 430.888 3.234 50 30 IGEALO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2O)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020309185 569359567 /nfs/dbraw/zinc/35/95/67/569359567.db2.gz YEWVJSQDPBZIGQ-GOSISDBHSA-N 1 2 445.859 3.094 50 30 IGEALO CC(C)Cc1nc(N2CC[NH+](CC(=O)NCCc3ccccc3)CC2)c(C#N)c2c1CCC2 ZINC000095346271 569361511 /nfs/dbraw/zinc/36/15/11/569361511.db2.gz SQOFINYLFKWFJJ-UHFFFAOYSA-N 1 2 445.611 3.121 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000008743856 569473026 /nfs/dbraw/zinc/47/30/26/569473026.db2.gz QSIPKDXSRGZAMJ-MRJHHRETSA-N 1 2 442.462 3.109 50 30 IGEALO CC(C)c1nc(N2CC[NH+](CC(=O)NCCc3ccccc3)CC2)c(C#N)c2c1CCC2 ZINC000006755812 132278706 /nfs/dbraw/zinc/27/87/06/132278706.db2.gz IGNQNYOFBJXBQW-UHFFFAOYSA-N 1 2 431.584 3.046 50 30 IGEALO C=CCN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)c1ccccc1 ZINC000057593857 518731867 /nfs/dbraw/zinc/73/18/67/518731867.db2.gz AVUDLDAFMCJUHG-UHFFFAOYSA-N 1 2 431.496 3.484 50 30 IGEALO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2[nH+]1 ZINC000012520154 519107075 /nfs/dbraw/zinc/10/70/75/519107075.db2.gz KYDPBCAQBCTZOQ-UHFFFAOYSA-N 1 2 425.514 3.305 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccnc3)ccc2O1 ZINC000013110711 524977283 /nfs/dbraw/zinc/97/72/83/524977283.db2.gz QVBYWDGEQKGMRN-AOMKIAJQSA-N 1 2 444.491 3.270 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccco3)ccc2O1 ZINC000013127173 525515320 /nfs/dbraw/zinc/51/53/20/525515320.db2.gz XEYQQLDFDXCYJJ-QVKFZJNVSA-N 1 2 433.464 3.468 50 30 IGEALO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000012898402 526786188 /nfs/dbraw/zinc/78/61/88/526786188.db2.gz AWWZKGDSBAHRAG-OAQYLSRUSA-N 1 2 431.496 3.292 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1F ZINC000009045264 526951262 /nfs/dbraw/zinc/95/12/62/526951262.db2.gz BJIIULZZOCNIRH-LFVOPCPISA-N 1 2 430.501 3.031 50 30 IGEALO O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000049548160 527467989 /nfs/dbraw/zinc/46/79/89/527467989.db2.gz LTHJVHKEAVYLLH-UHFFFAOYSA-N 1 2 429.550 3.101 50 30 IGEALO O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000008837927 556226386 /nfs/dbraw/zinc/22/63/86/556226386.db2.gz PNBWEKULLDLTJX-LJQANCHMSA-N 1 2 430.888 3.234 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000008871157 556229647 /nfs/dbraw/zinc/22/96/47/556229647.db2.gz DNJLSGNTFNCKMH-QFIPXVFZSA-N 1 2 449.580 3.427 50 30 IGEALO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccc(F)c2)c(C)n1 ZINC000013718476 556717160 /nfs/dbraw/zinc/71/71/60/556717160.db2.gz ALDUTPPZIVAJDJ-FQEVSTJZSA-N 1 2 435.459 3.098 50 30 IGEALO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1F ZINC000013723840 556718993 /nfs/dbraw/zinc/71/89/93/556718993.db2.gz CAXCSUBOFHBCCL-FQEVSTJZSA-N 1 2 437.475 3.041 50 30 IGEALO Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)o1 ZINC000102750680 557382875 /nfs/dbraw/zinc/38/28/75/557382875.db2.gz NGFHZZRKXRULLF-HVESIFNPSA-N 1 2 426.498 3.370 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccn2)cc1C ZINC000102803344 557385542 /nfs/dbraw/zinc/38/55/42/557385542.db2.gz HQENQDMUCJNWOJ-JBCNATCCSA-N 1 2 432.480 3.107 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CC3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009581031 562973537 /nfs/dbraw/zinc/97/35/37/562973537.db2.gz PFVOIHMNXBYXST-DBWZVEGISA-N 1 2 435.615 3.324 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000016993920 569169852 /nfs/dbraw/zinc/16/98/52/569169852.db2.gz GJKVLXQMBFSUON-KGUVVTLUSA-N 1 2 448.519 3.092 50 30 IGEALO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020309183 569359552 /nfs/dbraw/zinc/35/95/52/569359552.db2.gz YEWVJSQDPBZIGQ-SFHVURJKSA-N 1 2 445.859 3.094 50 30 IGEALO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020309181 569359652 /nfs/dbraw/zinc/35/96/52/569359652.db2.gz VNOGWAOUDNBPIH-GOSISDBHSA-N 1 2 445.859 3.094 50 30 IGEALO O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000008768359 569474962 /nfs/dbraw/zinc/47/49/62/569474962.db2.gz SSQDRLUMCXFCFE-YJJPMGAVSA-N 1 2 428.510 3.041 50 30 IGEALO Cc1ccsc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000008835130 569477978 /nfs/dbraw/zinc/47/79/78/569477978.db2.gz INLAAVIPCOMCMG-LJQANCHMSA-N 1 2 444.528 3.496 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccncc2)cc1F ZINC000095346324 523555459 /nfs/dbraw/zinc/55/54/59/523555459.db2.gz YBJAZMYRGDGHLW-HXUWFJFHSA-N 1 2 436.443 3.094 50 30 IGEALO COCC[NH+](CCOC)Cc1c2c(ccc1O)C(=O)/C(=C/c1cccc(OC)c1OC)O2 ZINC000020519362 523719751 /nfs/dbraw/zinc/71/97/51/523719751.db2.gz UIFFFDHYGRGNMH-STZFKDTASA-N 1 2 443.496 3.120 50 30 IGEALO COc1cc(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC(C)=O ZINC000020083707 556979017 /nfs/dbraw/zinc/97/90/17/556979017.db2.gz FWCCLLQUDKWWBL-ZVHZXABRSA-N 1 2 431.920 3.434 50 30 IGEALO COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000102528333 557354094 /nfs/dbraw/zinc/35/40/94/557354094.db2.gz FBVWHDNWDWUEBX-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO Cc1[nH+]c2ccccn2c1CN1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000023995607 557390239 /nfs/dbraw/zinc/39/02/39/557390239.db2.gz KGHWRBWQEFEEQR-UHFFFAOYSA-N 1 2 448.596 3.271 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000102874459 557396539 /nfs/dbraw/zinc/39/65/39/557396539.db2.gz XZOVSWMDIRCMAT-WOOAAIBNSA-N 1 2 430.501 3.031 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000104228551 557453421 /nfs/dbraw/zinc/45/34/21/557453421.db2.gz VMHSEZMAULQVRJ-MRJHHRETSA-N 1 2 440.927 3.484 50 30 IGEALO C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2[nH]c1=S ZINC000023054986 568859277 /nfs/dbraw/zinc/85/92/77/568859277.db2.gz HHTHHUVWBSTMOP-UHFFFAOYSA-N 1 2 434.565 3.397 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1 ZINC000020080248 569297349 /nfs/dbraw/zinc/29/73/49/569297349.db2.gz DSCVYAGEKMMCIZ-IBGZPJMESA-N 1 2 430.501 3.188 50 30 IGEALO Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000008817193 569476855 /nfs/dbraw/zinc/47/68/55/569476855.db2.gz IZZWWXPQXDBEAG-NHFXJNLRSA-N 1 2 444.915 3.385 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000009412957 569531661 /nfs/dbraw/zinc/53/16/61/569531661.db2.gz FCJWTIBCSFVXDF-MRJHHRETSA-N 1 2 442.462 3.109 50 30 IGEALO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1C ZINC000002425519 132254175 /nfs/dbraw/zinc/25/41/75/132254175.db2.gz VCJWZMGNCCUQTN-NRFANRHFSA-N 1 2 435.553 3.037 50 30 IGEALO CC1CCN(C(=O)C[NH+]2CCN(c3nc(-c4ccccc4)c4c(c3C#N)CCC4)CC2)CC1 ZINC000013609936 132351613 /nfs/dbraw/zinc/35/16/13/132351613.db2.gz HYPZVSVEBWUIBM-UHFFFAOYSA-N 1 2 443.595 3.489 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccncc2)cc1F ZINC000095346325 523557258 /nfs/dbraw/zinc/55/72/58/523557258.db2.gz YBJAZMYRGDGHLW-FQEVSTJZSA-N 1 2 436.443 3.094 50 30 IGEALO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccn1 ZINC000013689768 524296023 /nfs/dbraw/zinc/29/60/23/524296023.db2.gz PYWNYIRMLIONOY-FQEVSTJZSA-N 1 2 436.443 3.094 50 30 IGEALO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccn1 ZINC000013689767 524296614 /nfs/dbraw/zinc/29/66/14/524296614.db2.gz PYWNYIRMLIONOY-HXUWFJFHSA-N 1 2 436.443 3.094 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000095395302 527672137 /nfs/dbraw/zinc/67/21/37/527672137.db2.gz ZMLJMHDTXSUHPT-HXUWFJFHSA-N 1 2 432.436 3.460 50 30 IGEALO CC(C)c1cccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCC[NH+]2CCOCC2)c1 ZINC000046140726 557041932 /nfs/dbraw/zinc/04/19/32/557041932.db2.gz OYMLGQUQZSRQNR-UHFFFAOYSA-N 1 2 438.528 3.069 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccncc3)ccc2O1 ZINC000102674478 568887945 /nfs/dbraw/zinc/88/79/45/568887945.db2.gz MEZILQQFCOEEBK-MPFCKMIDSA-N 1 2 444.491 3.114 50 30 IGEALO Cc1ncc(CO[NH+]=C(N)c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2)s1 ZINC000079013811 569321866 /nfs/dbraw/zinc/32/18/66/569321866.db2.gz MIYRJEZYTQMXES-UHFFFAOYSA-N 1 2 426.521 3.149 50 30 IGEALO Cn1cc(/C=C2/Oc3cc(OCC(=O)NCCn4cc[nH+]c4)ccc3C2=O)c2ccccc21 ZINC000217593840 569449686 /nfs/dbraw/zinc/44/96/86/569449686.db2.gz LPMCSQHFAGGKGR-FSJBWODESA-N 1 2 442.475 3.186 50 30 IGEALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCC(=O)NC3CCCC3)co2)CC1 ZINC000056949822 524558300 /nfs/dbraw/zinc/55/83/00/524558300.db2.gz KMOSJHZTZLGOOK-UHFFFAOYSA-N 1 2 441.528 3.249 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccco2)c(OC)c1 ZINC000013729315 556721351 /nfs/dbraw/zinc/72/13/51/556721351.db2.gz ANJVMXPOKNGSSM-HXUWFJFHSA-N 1 2 437.452 3.162 50 30 IGEALO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2O)[C@@H]1c1ccncc1 ZINC000020309105 557007257 /nfs/dbraw/zinc/00/72/57/557007257.db2.gz XSRNYRXQPBOJRN-NRFANRHFSA-N 1 2 431.492 3.470 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccco3)ccc2O1 ZINC000102771502 557381871 /nfs/dbraw/zinc/38/18/71/557381871.db2.gz NHKCOMLHHONYQB-NFGHKGSMSA-N 1 2 433.464 3.312 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102928224 557410322 /nfs/dbraw/zinc/41/03/22/557410322.db2.gz KQHGAUBKOIUXLE-HOGKFDNTSA-N 1 2 438.499 3.278 50 30 IGEALO O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1Cl ZINC000102929301 557410774 /nfs/dbraw/zinc/41/07/74/557410774.db2.gz NBPPVUKRJYCVFH-LFVOPCPISA-N 1 2 430.888 3.077 50 30 IGEALO COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102930247 557413926 /nfs/dbraw/zinc/41/39/26/557413926.db2.gz TYBFEFCZASLSKL-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102930247 557413928 /nfs/dbraw/zinc/41/39/28/557413928.db2.gz TYBFEFCZASLSKL-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO COc1cc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)cc(OC)c1OC(C)=O ZINC000019790554 569256880 /nfs/dbraw/zinc/25/68/80/569256880.db2.gz WWLODXODGMPGBX-UHFFFAOYSA-N 1 2 431.920 3.434 50 30 IGEALO CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCC[NH+]3CCOCC3)c(=N)c1[C@@H]2c1ccccc1 ZINC000002407569 569300333 /nfs/dbraw/zinc/30/03/33/569300333.db2.gz YXVYNPZRYKLAAC-OAQYLSRUSA-N 1 2 448.567 3.252 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccco1 ZINC000008835670 569477941 /nfs/dbraw/zinc/47/79/41/569477941.db2.gz YJRDYXNXPWPUGY-OAQYLSRUSA-N 1 2 436.464 3.326 50 30 IGEALO COc1ccc(-c2nc(NCc3ccc(C[NH+]4CCOCC4)cc3)[nH]c(=O)c2C#N)cc1 ZINC000040130003 569490257 /nfs/dbraw/zinc/49/02/57/569490257.db2.gz OUTWNXQWGWNHAI-UHFFFAOYSA-N 1 2 431.496 3.174 50 30 IGEALO C=C(C)COc1ccc2c(C)c(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)oc2c1 ZINC000009306274 569521321 /nfs/dbraw/zinc/52/13/21/569521321.db2.gz WKIJKQNTPQIZMT-UHFFFAOYSA-N 1 2 433.508 3.343 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2F)cc1 ZINC000012535800 526020991 /nfs/dbraw/zinc/02/09/91/526020991.db2.gz PIDQNTGBLHXUJO-QFIPXVFZSA-N 1 2 438.499 3.435 50 30 IGEALO O=C(COc1coc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O)NC1CCCC1 ZINC000056949819 527478500 /nfs/dbraw/zinc/47/85/00/527478500.db2.gz KDHMIVNUIAGXIV-UHFFFAOYSA-N 1 2 429.492 3.379 50 30 IGEALO CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000032808762 556369399 /nfs/dbraw/zinc/36/93/99/556369399.db2.gz AQOAUFRXCHYZRC-OAQYLSRUSA-N 1 2 449.946 3.161 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(O)c1 ZINC000020189550 556995927 /nfs/dbraw/zinc/99/59/27/556995927.db2.gz SWBBEDJJLUGOCK-NFPSEPLVSA-N 1 2 448.519 3.092 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000020190806 556996275 /nfs/dbraw/zinc/99/62/75/556996275.db2.gz VUANKLBIGIJPSF-JHUUHBRDSA-N 1 2 432.520 3.387 50 30 IGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000096300444 557194609 /nfs/dbraw/zinc/19/46/09/557194609.db2.gz GMVIKDYNSSTZEC-HXUWFJFHSA-N 1 2 437.452 3.162 50 30 IGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000096300445 557194713 /nfs/dbraw/zinc/19/47/13/557194713.db2.gz GMVIKDYNSSTZEC-FQEVSTJZSA-N 1 2 437.452 3.162 50 30 IGEALO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000102492040 557335396 /nfs/dbraw/zinc/33/53/96/557335396.db2.gz MYQRFWUGYYMWCH-IAMBOQNYSA-N 1 2 441.491 3.351 50 30 IGEALO CCCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=[NH+]CCO)C2=O)cc1 ZINC000102845471 557394493 /nfs/dbraw/zinc/39/44/93/557394493.db2.gz WGJIROOKYHXEQT-IBGZPJMESA-N 1 2 427.526 3.110 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2F)cc1 ZINC000102883920 557408932 /nfs/dbraw/zinc/40/89/32/557408932.db2.gz WQJZWLKBMKRALW-MOBKVPTQSA-N 1 2 438.499 3.278 50 30 IGEALO COc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)c(OC)c1OC ZINC000020112603 563023666 /nfs/dbraw/zinc/02/36/66/563023666.db2.gz JQPGHQSRTBHREC-SOFGYWHQSA-N 1 2 441.480 3.334 50 30 IGEALO COc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CC[N@@H+](C)C4)OCO3)c(OC)c1OC ZINC000020112603 563023668 /nfs/dbraw/zinc/02/36/68/563023668.db2.gz JQPGHQSRTBHREC-SOFGYWHQSA-N 1 2 441.480 3.334 50 30 IGEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccn2)cc1 ZINC000006143743 568845812 /nfs/dbraw/zinc/84/58/12/568845812.db2.gz DJEUTKPNWQUVMA-OAQYLSRUSA-N 1 2 432.480 3.345 50 30 IGEALO CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000013098915 569310013 /nfs/dbraw/zinc/31/00/13/569310013.db2.gz GZJJRLLNLDKEMU-UHFFFAOYSA-N 1 2 432.568 3.320 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000009076483 569500289 /nfs/dbraw/zinc/50/02/89/569500289.db2.gz GJKVLXQMBFSUON-SZIFGRNDSA-N 1 2 448.519 3.092 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccnc3)ccc2O1 ZINC000013110710 525518832 /nfs/dbraw/zinc/51/88/32/525518832.db2.gz QVBYWDGEQKGMRN-ZHRRBRCNSA-N 1 2 444.491 3.270 50 30 IGEALO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000023805164 526675910 /nfs/dbraw/zinc/67/59/10/526675910.db2.gz ITCUNKYUOLFRFB-INIZCTEOSA-N 1 2 440.853 3.187 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000019883466 556937632 /nfs/dbraw/zinc/93/76/32/556937632.db2.gz HLADABTVGRKILI-FQEVSTJZSA-N 1 2 441.915 3.036 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000020172028 556994912 /nfs/dbraw/zinc/99/49/12/556994912.db2.gz DYIHZWVQRQSWPO-DGSRBQDKSA-N 1 2 438.549 3.448 50 30 IGEALO COc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3O)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020309161 557007128 /nfs/dbraw/zinc/00/71/28/557007128.db2.gz VZFMRKIFWXVXPG-LJQANCHMSA-N 1 2 430.888 3.194 50 30 IGEALO CCOc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCC[NH+]2CCOCC2)cc1 ZINC000046133501 557040223 /nfs/dbraw/zinc/04/02/23/557040223.db2.gz KJVXRRCQDRLZTJ-UHFFFAOYSA-N 1 2 430.936 3.269 50 30 IGEALO CCOC(=O)c1ccc(NC(=[NH+]C)S[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000100651650 557267547 /nfs/dbraw/zinc/26/75/47/557267547.db2.gz JBGLIEKMJFIBMM-KRWDZBQOSA-N 1 2 429.473 3.275 50 30 IGEALO CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102518963 557350980 /nfs/dbraw/zinc/35/09/80/557350980.db2.gz PSRAYGWNWYPRBO-MRJHHRETSA-N 1 2 440.565 3.455 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000102583809 557355460 /nfs/dbraw/zinc/35/54/60/557355460.db2.gz WJLYSBACXGRQLS-OCCJZESGSA-N 1 2 448.519 3.092 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccncc3)ccc2O1 ZINC000102606012 557358139 /nfs/dbraw/zinc/35/81/39/557358139.db2.gz MEZILQQFCOEEBK-NZXCCLHUSA-N 1 2 444.491 3.114 50 30 IGEALO O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000102706780 557366755 /nfs/dbraw/zinc/36/67/55/557366755.db2.gz DDVVKUUTRNNUGI-QTHPFAOPSA-N 1 2 428.510 3.041 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccco3)ccc2O1 ZINC000102771509 557381999 /nfs/dbraw/zinc/38/19/99/557381999.db2.gz NHKCOMLHHONYQB-MVQGBCMBSA-N 1 2 433.464 3.312 50 30 IGEALO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccncc2)c1 ZINC000006134369 568845066 /nfs/dbraw/zinc/84/50/66/568845066.db2.gz KMUQNAFRLBLMID-OAQYLSRUSA-N 1 2 432.480 3.345 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c(O)c1 ZINC000020309605 569359771 /nfs/dbraw/zinc/35/97/71/569359771.db2.gz FAUXACYGAAKWGC-IBGZPJMESA-N 1 2 430.888 3.194 50 30 IGEALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000008318917 569462628 /nfs/dbraw/zinc/46/26/28/569462628.db2.gz GIQMBZLBGSPKFI-QGZVFWFLSA-N 1 2 426.492 3.319 50 30 IGEALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000008318917 569462629 /nfs/dbraw/zinc/46/26/29/569462629.db2.gz GIQMBZLBGSPKFI-QGZVFWFLSA-N 1 2 426.492 3.319 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccco1 ZINC000008835673 569477983 /nfs/dbraw/zinc/47/79/83/569477983.db2.gz YJRDYXNXPWPUGY-NRFANRHFSA-N 1 2 436.464 3.326 50 30 IGEALO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccco1 ZINC000013688185 524295636 /nfs/dbraw/zinc/29/56/36/524295636.db2.gz HHJLZIGGFKIODI-IBGZPJMESA-N 1 2 425.416 3.292 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccncc3)ccc2O1 ZINC000013110728 524977913 /nfs/dbraw/zinc/97/79/13/524977913.db2.gz XVROKXSANWHAFJ-KSFYIVLOSA-N 1 2 444.491 3.270 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3cccnc3)ccc2O1 ZINC000013110708 525516618 /nfs/dbraw/zinc/51/66/18/525516618.db2.gz QVBYWDGEQKGMRN-OPAMFIHVSA-N 1 2 444.491 3.270 50 30 IGEALO CC[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000008396304 556163582 /nfs/dbraw/zinc/16/35/82/556163582.db2.gz IEFVEHZQSPSRCD-LJQANCHMSA-N 1 2 441.509 3.476 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000008766708 556212366 /nfs/dbraw/zinc/21/23/66/556212366.db2.gz VGTRETWOTUERTB-IBGZPJMESA-N 1 2 430.501 3.188 50 30 IGEALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(NC(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000018217910 556687410 /nfs/dbraw/zinc/68/74/10/556687410.db2.gz WQWDKVAAXRGMOR-OAQYLSRUSA-N 1 2 436.512 3.017 50 30 IGEALO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccncc1 ZINC000013728977 556721125 /nfs/dbraw/zinc/72/11/25/556721125.db2.gz LJQPJOLVXGEQSW-HXUWFJFHSA-N 1 2 436.443 3.094 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000096832991 556846980 /nfs/dbraw/zinc/84/69/80/556846980.db2.gz RORZZEAZUHHOQE-FQEVSTJZSA-N 1 2 432.436 3.460 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000102663832 557361985 /nfs/dbraw/zinc/36/19/85/557361985.db2.gz WJLYSBACXGRQLS-FJLYJQKTSA-N 1 2 448.519 3.092 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000102804783 557386720 /nfs/dbraw/zinc/38/67/20/557386720.db2.gz DWKUBVPVVQZGMG-MOBKVPTQSA-N 1 2 445.475 3.166 50 30 IGEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000102804783 557386724 /nfs/dbraw/zinc/38/67/24/557386724.db2.gz DWKUBVPVVQZGMG-MOBKVPTQSA-N 1 2 445.475 3.166 50 30 IGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102930222 557414012 /nfs/dbraw/zinc/41/40/12/557414012.db2.gz MUOJQZGBVPAIDG-MOBKVPTQSA-N 1 2 447.491 3.412 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009580261 562973528 /nfs/dbraw/zinc/97/35/28/562973528.db2.gz LXPASGDRIXDLRW-DBWZVEGISA-N 1 2 435.615 3.324 50 30 IGEALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C#CC(C)(C)O)s1)[N@H+](C)CC3)OCO2 ZINC000020111885 569334462 /nfs/dbraw/zinc/33/44/62/569334462.db2.gz IXXMKPUQHAWBNS-MRXNPFEDSA-N 1 2 427.522 3.410 50 30 IGEALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C#CC(C)(C)O)s1)[N@@H+](C)CC3)OCO2 ZINC000020111885 569334464 /nfs/dbraw/zinc/33/44/64/569334464.db2.gz IXXMKPUQHAWBNS-MRXNPFEDSA-N 1 2 427.522 3.410 50 30 IGEALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000008318922 569462622 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C[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000002420139 569301863 /nfs/dbraw/zinc/30/18/63/569301863.db2.gz AGTOAOHZBGHJKR-LJQANCHMSA-N 1 2 441.944 3.074 50 30 IGEALO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2O)[C@H]1c1cccnc1 ZINC000020309112 569359599 /nfs/dbraw/zinc/35/95/99/569359599.db2.gz FCKQSFAVEIBXMH-OAQYLSRUSA-N 1 2 431.492 3.470 50 30 IGEALO COc1cc(OC)c2ncc(C#N)c(N3CC[NH+](Cc4cn5ccccc5n4)CC3)c2c1 ZINC000225537418 569403764 /nfs/dbraw/zinc/40/37/64/569403764.db2.gz WQQUJLFGNIHTSU-UHFFFAOYSA-N 1 2 428.496 3.094 50 30 IGEALO C=C(C)CN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)n1C ZINC000009059531 569499356 /nfs/dbraw/zinc/49/93/56/569499356.db2.gz BAWJCASNEFJQMU-UHFFFAOYSA-N 1 2 447.326 3.024 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009236550 569514118 /nfs/dbraw/zinc/51/41/18/569514118.db2.gz JWTOCYVSBFDTRW-MRJHHRETSA-N 1 2 440.927 3.484 50 30 IGEALO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1C ZINC000002425520 132254159 /nfs/dbraw/zinc/25/41/59/132254159.db2.gz VCJWZMGNCCUQTN-OAQYLSRUSA-N 1 2 435.553 3.037 50 30 IGEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc4c(C)cc(=O)oc4c1)[N@H+](C)CC3)OCO2 ZINC000020111732 521890218 /nfs/dbraw/zinc/89/02/18/521890218.db2.gz GHNGNYPHJNRHSC-IBGZPJMESA-N 1 2 433.460 3.450 50 30 IGEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc4c(C)cc(=O)oc4c1)[N@@H+](C)CC3)OCO2 ZINC000020111732 521890230 /nfs/dbraw/zinc/89/02/30/521890230.db2.gz GHNGNYPHJNRHSC-IBGZPJMESA-N 1 2 433.460 3.450 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000034808300 555908244 /nfs/dbraw/zinc/90/82/44/555908244.db2.gz VUANKLBIGIJPSF-UMHMGIAYSA-N 1 2 432.520 3.387 50 30 IGEALO CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000032808761 556369418 /nfs/dbraw/zinc/36/94/18/556369418.db2.gz AQOAUFRXCHYZRC-NRFANRHFSA-N 1 2 449.946 3.161 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CC3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000015894405 556561958 /nfs/dbraw/zinc/56/19/58/556561958.db2.gz PFVOIHMNXBYXST-ZPTLURPKSA-N 1 2 435.615 3.324 50 30 IGEALO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(F)c2)c(C)n1 ZINC000013718473 556716979 /nfs/dbraw/zinc/71/69/79/556716979.db2.gz ALDUTPPZIVAJDJ-HXUWFJFHSA-N 1 2 435.459 3.098 50 30 IGEALO COc1ccc(NC(=NC(=O)c2cccc(F)c2)NCC[NH+]2CCOCC2)cc1Cl ZINC000046134504 557041289 /nfs/dbraw/zinc/04/12/89/557041289.db2.gz JHIZDMFNZNGYFT-UHFFFAOYSA-N 1 2 434.899 3.018 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000102646848 557361020 /nfs/dbraw/zinc/36/10/20/557361020.db2.gz SWNOCRSUEBJXHO-LFVOPCPISA-N 1 2 430.501 3.031 50 30 IGEALO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)o1 ZINC000102730605 557371146 /nfs/dbraw/zinc/37/11/46/557371146.db2.gz CQFZDUCGALOCIZ-JBCNATCCSA-N 1 2 449.463 3.068 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000104201567 557453106 /nfs/dbraw/zinc/45/31/06/557453106.db2.gz DOEUEUPXKOHBDW-YDJIHCHBSA-N 1 2 426.538 3.201 50 30 IGEALO CCc1[nH+]c2ccccc2n1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000025162509 568646972 /nfs/dbraw/zinc/64/69/72/568646972.db2.gz RTZOSNVUNTWTNC-UHFFFAOYSA-N 1 2 445.502 3.126 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000025638084 568753603 /nfs/dbraw/zinc/75/36/03/568753603.db2.gz DYTQVQUKIKWYHR-UHFFFAOYSA-N 1 2 438.531 3.299 50 30 IGEALO Cc1c(/N=C2/c3ccccc3N(C[NH+]3CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000016249107 568874846 /nfs/dbraw/zinc/87/48/46/568874846.db2.gz QPSPQJNSNQYQET-RWEWTDSWSA-N 1 2 429.524 3.395 50 30 IGEALO C=CCSc1nc2ccccc2n1C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000089913988 569167369 /nfs/dbraw/zinc/16/73/69/569167369.db2.gz RSQZGZIXSYNRLK-UHFFFAOYSA-N 1 2 446.573 3.418 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000020171877 569354402 /nfs/dbraw/zinc/35/44/02/569354402.db2.gz ZUQPFIZLUYKDEK-NRFANRHFSA-N 1 2 442.462 3.265 50 30 IGEALO CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000008942712 569488695 /nfs/dbraw/zinc/48/86/95/569488695.db2.gz CBZYWWMWCZTULI-HSZRJFAPSA-N 1 2 440.617 3.459 50 30 IGEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009043331 569497825 /nfs/dbraw/zinc/49/78/25/569497825.db2.gz ZXGQVKDXLHJYLL-HOGKFDNTSA-N 1 2 438.499 3.278 50 30 IGEALO CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000020932460 520858247 /nfs/dbraw/zinc/85/82/47/520858247.db2.gz USPSDFBZJFBVHG-HXUWFJFHSA-N 1 2 437.496 3.067 50 30 IGEALO CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000020932460 520858251 /nfs/dbraw/zinc/85/82/51/520858251.db2.gz USPSDFBZJFBVHG-HXUWFJFHSA-N 1 2 437.496 3.067 50 30 IGEALO COc1ccccc1CN(C)C(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022803359 524429452 /nfs/dbraw/zinc/42/94/52/524429452.db2.gz PUKDQHXIYCTRTB-UHFFFAOYSA-N 1 2 444.963 3.213 50 30 IGEALO Cc1cc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n2c3ccccc3nc2c1C#N ZINC000012629855 525078636 /nfs/dbraw/zinc/07/86/36/525078636.db2.gz XKKWYPVXDQKJID-RTBURBONSA-N 1 2 444.583 3.294 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000012377901 526023028 /nfs/dbraw/zinc/02/30/28/526023028.db2.gz SRLMPJMOXXKYDM-HXUWFJFHSA-N 1 2 426.538 3.357 50 30 IGEALO NC(=[NH+]OCC(=O)NCc1ccc(F)cc1)c1ccc(COc2ccccc2F)cc1 ZINC000058023749 526809959 /nfs/dbraw/zinc/80/99/59/526809959.db2.gz LVBUHPLOOZADTB-UHFFFAOYSA-N 1 2 425.435 3.497 50 30 IGEALO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC000013685367 527605726 /nfs/dbraw/zinc/60/57/26/527605726.db2.gz BOFALTUPRYMCLU-FQEVSTJZSA-N 1 2 437.475 3.041 50 30 IGEALO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1C#N ZINC000072313888 556694436 /nfs/dbraw/zinc/69/44/36/556694436.db2.gz JXMTXYJXPGJEGB-GOSISDBHSA-N 1 2 435.507 3.100 50 30 IGEALO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1C#N ZINC000072313888 556694439 /nfs/dbraw/zinc/69/44/39/556694439.db2.gz JXMTXYJXPGJEGB-GOSISDBHSA-N 1 2 435.507 3.100 50 30 IGEALO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccncc1 ZINC000013728980 556721165 /nfs/dbraw/zinc/72/11/65/556721165.db2.gz LJQPJOLVXGEQSW-FQEVSTJZSA-N 1 2 436.443 3.094 50 30 IGEALO COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000019883592 556937892 /nfs/dbraw/zinc/93/78/92/556937892.db2.gz UBQDKKQNHOVQNF-HXUWFJFHSA-N 1 2 442.537 3.057 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000020309600 557007241 /nfs/dbraw/zinc/00/72/41/557007241.db2.gz XWLFBEKVVQBFTB-IBGZPJMESA-N 1 2 430.888 3.194 50 30 IGEALO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843456 557125844 /nfs/dbraw/zinc/12/58/44/557125844.db2.gz FTPCMJNQKPNTQE-QHCPKHFHSA-N 1 2 434.540 3.153 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000096309643 557197874 /nfs/dbraw/zinc/19/78/74/557197874.db2.gz VEIUKVZTNZQKPE-OAQYLSRUSA-N 1 2 431.448 3.280 50 30 IGEALO O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000096309643 557197880 /nfs/dbraw/zinc/19/78/80/557197880.db2.gz VEIUKVZTNZQKPE-OAQYLSRUSA-N 1 2 431.448 3.280 50 30 IGEALO N#Cc1c(NC(=O)CC[NH+]2CCN(C(=O)N3CCCCC3)CC2)sc2c1CCCCC2 ZINC000014135729 557309024 /nfs/dbraw/zinc/30/90/24/557309024.db2.gz ULWSPKOYLYSCHQ-UHFFFAOYSA-N 1 2 443.617 3.441 50 30 IGEALO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000023805162 557375550 /nfs/dbraw/zinc/37/55/50/557375550.db2.gz ITCUNKYUOLFRFB-MRXNPFEDSA-N 1 2 440.853 3.187 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccco2)c(OC)c1 ZINC000102753667 557383465 /nfs/dbraw/zinc/38/34/65/557383465.db2.gz JUXGDJVBPZEAJZ-NHFXJNLRSA-N 1 2 437.452 3.005 50 30 IGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccc2OC)c1 ZINC000102932038 557412971 /nfs/dbraw/zinc/41/29/71/557412971.db2.gz AVAXDWPGVVODGJ-MOBKVPTQSA-N 1 2 447.491 3.412 50 30 IGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccc2OC)c1 ZINC000102932042 557413077 /nfs/dbraw/zinc/41/30/77/557413077.db2.gz AVAXDWPGVVODGJ-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO C[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002376212 569289410 /nfs/dbraw/zinc/28/94/10/569289410.db2.gz RFDDSOKKPJPZHR-LJQANCHMSA-N 1 2 441.944 3.074 50 30 IGEALO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000097077122 569403025 /nfs/dbraw/zinc/40/30/25/569403025.db2.gz XCKNMYVRGUHJEH-OAQYLSRUSA-N 1 2 448.976 3.446 50 30 IGEALO COc1ccc(-c2nc(NCc3ccccc3C[NH+]3CCOCC3)[nH]c(=O)c2C#N)cc1 ZINC000040130001 569490261 /nfs/dbraw/zinc/49/02/61/569490261.db2.gz RFAUJLIBSJUGEU-UHFFFAOYSA-N 1 2 431.496 3.174 50 30 IGEALO Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(F)c1 ZINC000009235618 569514100 /nfs/dbraw/zinc/51/41/00/569514100.db2.gz RXKPQQZBPKNJSI-FQEVSTJZSA-N 1 2 436.487 3.230 50 30 IGEALO C=CCOC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](C)O)nc(=O)c2c1C ZINC000036207350 518982320 /nfs/dbraw/zinc/98/23/20/518982320.db2.gz QKVNCLBQAVRJSF-CQSZACIVSA-N 1 2 427.526 3.019 50 30 IGEALO C=CCOC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](C)O)nc(=O)c2c1C ZINC000036207350 518982327 /nfs/dbraw/zinc/98/23/27/518982327.db2.gz QKVNCLBQAVRJSF-CQSZACIVSA-N 1 2 427.526 3.019 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccnc2)cc1F ZINC000013689548 523556518 /nfs/dbraw/zinc/55/65/18/523556518.db2.gz LRLNVEUBCDMUAT-FQEVSTJZSA-N 1 2 436.443 3.094 50 30 IGEALO COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1OC ZINC000013548952 524111593 /nfs/dbraw/zinc/11/15/93/524111593.db2.gz IZQGVSRVSDHIOB-LJQANCHMSA-N 1 2 437.452 3.162 50 30 IGEALO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1C#N ZINC000012683573 525683105 /nfs/dbraw/zinc/68/31/05/525683105.db2.gz KDGMGMCIJGJNNV-JOCHJYFZSA-N 1 2 446.555 3.412 50 30 IGEALO Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1C#N ZINC000012683573 525683112 /nfs/dbraw/zinc/68/31/12/525683112.db2.gz KDGMGMCIJGJNNV-JOCHJYFZSA-N 1 2 446.555 3.412 50 30 IGEALO Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009043334 525981575 /nfs/dbraw/zinc/98/15/75/525981575.db2.gz ZXGQVKDXLHJYLL-MOBKVPTQSA-N 1 2 438.499 3.278 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000009042499 526950610 /nfs/dbraw/zinc/95/06/10/526950610.db2.gz FZWHAQWMIDIABD-LFVOPCPISA-N 1 2 430.501 3.031 50 30 IGEALO CN(C)c1ccc(C=[NH+]NC2=NC(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)S2)cc1 ZINC000001248619 555687530 /nfs/dbraw/zinc/68/75/30/555687530.db2.gz LFGKFHCAHGOCSQ-ORWNMUSCSA-N 1 2 429.933 3.356 50 30 IGEALO CCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc4c(c3)OCO4)=[NH+]C)C2=O)cc1 ZINC000013633937 556540163 /nfs/dbraw/zinc/54/01/63/556540163.db2.gz LMXCPZZQHUDSOT-SFHVURJKSA-N 1 2 427.482 3.086 50 30 IGEALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1 ZINC000018093554 556683578 /nfs/dbraw/zinc/68/35/78/556683578.db2.gz WPCKKULYOPALPD-NRFANRHFSA-N 1 2 431.492 3.053 50 30 IGEALO COc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(C)c(Cl)c2)c1 ZINC000046133661 557040369 /nfs/dbraw/zinc/04/03/69/557040369.db2.gz RXYFBHCXQABWMY-UHFFFAOYSA-N 1 2 430.936 3.187 50 30 IGEALO COc1cccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccc(Cl)cc2C)c1 ZINC000046140684 557041916 /nfs/dbraw/zinc/04/19/16/557041916.db2.gz DRRWEBGDRGTSHK-UHFFFAOYSA-N 1 2 430.936 3.187 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccn2)cc1C ZINC000096295623 557194307 /nfs/dbraw/zinc/19/43/07/557194307.db2.gz CEKBHIWJHRTRDT-NRFANRHFSA-N 1 2 432.480 3.264 50 30 IGEALO Cc1cc(C)nc(NC(=NC(=O)c2ccc(Br)cc2)NCCc2c[nH]c[nH+]2)n1 ZINC000018223061 557252907 /nfs/dbraw/zinc/25/29/07/557252907.db2.gz FWKPSTJDDMKJRW-UHFFFAOYSA-N 1 2 442.321 3.020 50 30 IGEALO Cc1cc(C)nc(NC(=NC(=O)c2ccc(Br)cc2)NCCc2c[nH+]c[nH]2)n1 ZINC000018223061 557252911 /nfs/dbraw/zinc/25/29/11/557252911.db2.gz FWKPSTJDDMKJRW-UHFFFAOYSA-N 1 2 442.321 3.020 50 30 IGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cccnc2)cc1 ZINC000101288123 557268365 /nfs/dbraw/zinc/26/83/65/557268365.db2.gz LXKXICXJIRWQRC-MOBKVPTQSA-N 1 2 444.491 3.355 50 30 IGEALO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccc(Cl)c1 ZINC000102740791 557375878 /nfs/dbraw/zinc/37/58/78/557375878.db2.gz FXSXRTOVPDGEKV-LFVOPCPISA-N 1 2 439.903 3.388 50 30 IGEALO COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1OC ZINC000102805054 557386748 /nfs/dbraw/zinc/38/67/48/557386748.db2.gz XNEZIBWAMVJPKD-WOOAAIBNSA-N 1 2 437.452 3.005 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccco1)c1ccc(Cl)cc1 ZINC000008738768 569472727 /nfs/dbraw/zinc/47/27/27/569472727.db2.gz YLUWNVITJIDRND-WOOAAIBNSA-N 1 2 430.888 3.077 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000009042502 569497795 /nfs/dbraw/zinc/49/77/95/569497795.db2.gz FZWHAQWMIDIABD-WOOAAIBNSA-N 1 2 430.501 3.031 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000008687213 132290581 /nfs/dbraw/zinc/29/05/81/132290581.db2.gz QDRZGVYHJHZZEC-JOCHJYFZSA-N 1 2 449.580 3.427 50 30 IGEALO C=CCn1c(SCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)nnc1-c1ccco1 ZINC000021556788 519208870 /nfs/dbraw/zinc/20/88/70/519208870.db2.gz GMDAKFMLMPSUQE-LJQANCHMSA-N 1 2 434.525 3.456 50 30 IGEALO CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020069246 522250671 /nfs/dbraw/zinc/25/06/71/522250671.db2.gz MGAKBTKATFFPEM-QHCPKHFHSA-N 1 2 449.551 3.053 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccco2)cc1F ZINC000102737130 523374917 /nfs/dbraw/zinc/37/49/17/523374917.db2.gz GYZCPPIMUWDSMO-LFVOPCPISA-N 1 2 425.416 3.136 50 30 IGEALO COCC[NH+](CCOC)Cc1c2c(ccc1O)C(=O)/C(=C/c1cc(OC)ccc1OC)O2 ZINC000020533267 523719271 /nfs/dbraw/zinc/71/92/71/523719271.db2.gz VMBYINBEINVDGS-HMAPJEAMSA-N 1 2 443.496 3.120 50 30 IGEALO N#CCCn1cc(C(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c2ccccc21 ZINC000022808985 526466444 /nfs/dbraw/zinc/46/64/44/526466444.db2.gz YGHCUBRRVQMSOB-UHFFFAOYSA-N 1 2 428.536 3.490 50 30 IGEALO CN(C)c1ccc(C=[NH+]NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)S2)cc1 ZINC000001248617 555687476 /nfs/dbraw/zinc/68/74/76/555687476.db2.gz LFGKFHCAHGOCSQ-QQZPLFJDSA-N 1 2 429.933 3.356 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000034808298 555908232 /nfs/dbraw/zinc/90/82/32/555908232.db2.gz VUANKLBIGIJPSF-JPFBCYGGSA-N 1 2 432.520 3.387 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000008871156 556229665 /nfs/dbraw/zinc/22/96/65/556229665.db2.gz DNJLSGNTFNCKMH-JOCHJYFZSA-N 1 2 449.580 3.427 50 30 IGEALO O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000008871749 556229942 /nfs/dbraw/zinc/22/99/42/556229942.db2.gz PNBWEKULLDLTJX-IBGZPJMESA-N 1 2 430.888 3.234 50 30 IGEALO COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000008996477 556239880 /nfs/dbraw/zinc/23/98/80/556239880.db2.gz CLTILPKRVXMWEQ-HXUWFJFHSA-N 1 2 437.452 3.162 50 30 IGEALO CC[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000100577980 557265306 /nfs/dbraw/zinc/26/53/06/557265306.db2.gz IEFVEHZQSPSRCD-IBGZPJMESA-N 1 2 441.509 3.476 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3cccnc3)ccc2O1 ZINC000102549374 557348884 /nfs/dbraw/zinc/34/88/84/557348884.db2.gz DIAXDLJRKHQXKY-NZXCCLHUSA-N 1 2 444.491 3.114 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@H]3c3ccncc3)ccc2O1 ZINC000102606009 557358126 /nfs/dbraw/zinc/35/81/26/557358126.db2.gz MEZILQQFCOEEBK-JZFJIDBXSA-N 1 2 444.491 3.114 50 30 IGEALO CC(C)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102880294 557407750 /nfs/dbraw/zinc/40/77/50/557407750.db2.gz LBSLSBWCSDPCHZ-AYWGPLOBSA-N 1 2 449.551 3.349 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1 ZINC000008690272 562963232 /nfs/dbraw/zinc/96/32/32/562963232.db2.gz VQMNUKHZIMLCII-QFIPXVFZSA-N 1 2 447.491 3.128 50 30 IGEALO O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccn1 ZINC000008743744 562963916 /nfs/dbraw/zinc/96/39/16/562963916.db2.gz UYTFYWYFAFFTPV-QFIPXVFZSA-N 1 2 447.491 3.128 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000009068008 569499993 /nfs/dbraw/zinc/49/99/93/569499993.db2.gz WVUVWUXQUMLQNS-HXUWFJFHSA-N 1 2 442.537 3.057 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)c3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009422301 569532843 /nfs/dbraw/zinc/53/28/43/569532843.db2.gz LJGXNRLGHZKEHM-IOGQSSPCSA-N 1 2 449.985 3.321 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000008687214 132290550 /nfs/dbraw/zinc/29/05/50/132290550.db2.gz QDRZGVYHJHZZEC-QFIPXVFZSA-N 1 2 449.580 3.427 50 30 IGEALO Cc1cc(O)c(CN2CC[NH+](CCO)CC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020649317 525314583 /nfs/dbraw/zinc/31/45/83/525314583.db2.gz FNZMTLXHNUUEQG-HMAPJEAMSA-N 1 2 434.492 3.173 50 30 IGEALO CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N[NH+]=Cc3ccc(N(C)C)cc3)S2)cc1 ZINC000004087664 555960545 /nfs/dbraw/zinc/96/05/45/555960545.db2.gz WQIAWHLMBZYICI-IXOWOOARSA-N 1 2 439.541 3.102 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000015894516 556562258 /nfs/dbraw/zinc/56/22/58/556562258.db2.gz LXPASGDRIXDLRW-DQBSXFRDSA-N 1 2 435.615 3.324 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccco2)c(OC)c1 ZINC000013729318 556721406 /nfs/dbraw/zinc/72/14/06/556721406.db2.gz ANJVMXPOKNGSSM-FQEVSTJZSA-N 1 2 437.452 3.162 50 30 IGEALO COc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCC[NH+]2CCOCC2)cc1Cl ZINC000046134501 557041228 /nfs/dbraw/zinc/04/12/28/557041228.db2.gz WEGZZIPZSKWKGI-UHFFFAOYSA-N 1 2 434.899 3.018 50 30 IGEALO COc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCC[NH+]2CCOCC2)cc1Cl ZINC000046134511 557041247 /nfs/dbraw/zinc/04/12/47/557041247.db2.gz DPEGZFCKKQWABI-UHFFFAOYSA-N 1 2 430.936 3.187 50 30 IGEALO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)CCCCCC1 ZINC000024773506 557166337 /nfs/dbraw/zinc/16/63/37/557166337.db2.gz IWMKPSIKKUJMPO-UHFFFAOYSA-N 1 2 425.529 3.085 50 30 IGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cccc(OC)c2)c1 ZINC000102534325 557344602 /nfs/dbraw/zinc/34/46/02/557344602.db2.gz CBYGMHKZFHIOFC-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000104201563 557453051 /nfs/dbraw/zinc/45/30/51/557453051.db2.gz DOEUEUPXKOHBDW-NHFXJNLRSA-N 1 2 426.538 3.201 50 30 IGEALO COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000020101261 569333927 /nfs/dbraw/zinc/33/39/27/569333927.db2.gz IYRZNZRLXUESER-FQEVSTJZSA-N 1 2 442.537 3.057 50 30 IGEALO Cc1ccsc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000008835129 569477930 /nfs/dbraw/zinc/47/79/30/569477930.db2.gz INLAAVIPCOMCMG-IBGZPJMESA-N 1 2 444.528 3.496 50 30 IGEALO Cc1ccc(S(=O)(=O)c2nc(C=[NH+]Nc3ccccc3)oc2N2CCOCC2)cc1 ZINC000008951619 569489943 /nfs/dbraw/zinc/48/99/43/569489943.db2.gz YEEWQYCKBRSABN-PXLXIMEGSA-N 1 2 426.498 3.098 50 30 IGEALO C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCc4c[nH+]c[nH]4)c3)c(=O)c2c1 ZINC000020760581 518617916 /nfs/dbraw/zinc/61/79/16/518617916.db2.gz LDODFKUUIXQUAP-UHFFFAOYSA-N 1 2 443.507 3.345 50 30 IGEALO C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCc4c[nH]c[nH+]4)c3)c(=O)c2c1 ZINC000020760581 518617924 /nfs/dbraw/zinc/61/79/24/518617924.db2.gz LDODFKUUIXQUAP-UHFFFAOYSA-N 1 2 443.507 3.345 50 30 IGEALO C=C(C)Cn1c(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000056918679 518639500 /nfs/dbraw/zinc/63/95/00/518639500.db2.gz LQKVMAIZDKCDPD-UHFFFAOYSA-N 1 2 443.551 3.212 50 30 IGEALO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2[nH]c1=S ZINC000012744677 519198242 /nfs/dbraw/zinc/19/82/42/519198242.db2.gz DRNFPPRQWUBDJP-NRFANRHFSA-N 1 2 434.565 3.438 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N\C(=O)CC3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000103730925 522217942 /nfs/dbraw/zinc/21/79/42/522217942.db2.gz PFVOIHMNXBYXST-QZDOXPCSSA-N 1 2 435.615 3.324 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccc(Br)s3)CC2)cc1 ZINC000022882010 526614213 /nfs/dbraw/zinc/61/42/13/526614213.db2.gz ZWDUXEKWSUEDAA-UHFFFAOYSA-N 1 2 433.375 3.452 50 30 IGEALO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000012898392 526786372 /nfs/dbraw/zinc/78/63/72/526786372.db2.gz AWWZKGDSBAHRAG-NRFANRHFSA-N 1 2 431.496 3.292 50 30 IGEALO O=C1c2ccc(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2O/C1=C\c1cccnc1 ZINC000020761186 527123442 /nfs/dbraw/zinc/12/34/42/527123442.db2.gz OPHZVWIREZHWFL-QQEGSGONSA-N 1 2 441.487 3.184 50 30 IGEALO O=C1c2ccc(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2O/C1=C\c1cccnc1 ZINC000020761186 527123448 /nfs/dbraw/zinc/12/34/48/527123448.db2.gz OPHZVWIREZHWFL-QQEGSGONSA-N 1 2 441.487 3.184 50 30 IGEALO CN(C(=O)C[NH+]1CCN(c2nc(-c3ccco3)c3c(c2C#N)CCC3)CC1)c1ccccc1 ZINC000009435546 535988967 /nfs/dbraw/zinc/98/89/67/535988967.db2.gz DJQDDUQOMQCHSF-UHFFFAOYSA-N 1 2 441.535 3.487 50 30 IGEALO COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000008996478 556239998 /nfs/dbraw/zinc/23/99/98/556239998.db2.gz CLTILPKRVXMWEQ-FQEVSTJZSA-N 1 2 437.452 3.162 50 30 IGEALO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1F ZINC000013723837 556718954 /nfs/dbraw/zinc/71/89/54/556718954.db2.gz CAXCSUBOFHBCCL-HXUWFJFHSA-N 1 2 437.475 3.041 50 30 IGEALO COc1ccc(/C(C)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C[NH+]1CCOCC1 ZINC000020414133 557014531 /nfs/dbraw/zinc/01/45/31/557014531.db2.gz UIYWIVBDWQTKKT-KGENOOAVSA-N 1 2 430.417 3.147 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 ZINC000024778251 557136427 /nfs/dbraw/zinc/13/64/27/557136427.db2.gz VKKWJJJUBZMJFK-UHFFFAOYSA-N 1 2 440.551 3.378 50 30 IGEALO CCOc1ccc(N2C(=O)C[C@@H](SC(=N)N[NH+]=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000100445247 557261451 /nfs/dbraw/zinc/26/14/51/557261451.db2.gz NDGPYSJOVJDMPQ-ANRKENSESA-N 1 2 439.541 3.075 50 30 IGEALO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(Cl)c1 ZINC000102740788 557375943 /nfs/dbraw/zinc/37/59/43/557375943.db2.gz FXSXRTOVPDGEKV-WOOAAIBNSA-N 1 2 439.903 3.388 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccco3)ccc2O1 ZINC000102771507 557381843 /nfs/dbraw/zinc/38/18/43/557381843.db2.gz NHKCOMLHHONYQB-RHVFDXGSSA-N 1 2 433.464 3.312 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000102804779 557386701 /nfs/dbraw/zinc/38/67/01/557386701.db2.gz DWKUBVPVVQZGMG-HOGKFDNTSA-N 1 2 445.475 3.166 50 30 IGEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000102804779 557386706 /nfs/dbraw/zinc/38/67/06/557386706.db2.gz DWKUBVPVVQZGMG-HOGKFDNTSA-N 1 2 445.475 3.166 50 30 IGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102930219 557414026 /nfs/dbraw/zinc/41/40/26/557414026.db2.gz MUOJQZGBVPAIDG-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000026468204 568877816 /nfs/dbraw/zinc/87/78/16/568877816.db2.gz FPZBOXNKMUJSGV-LJQANCHMSA-N 1 2 440.519 3.378 50 30 IGEALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000026468204 568877817 /nfs/dbraw/zinc/87/78/17/568877817.db2.gz FPZBOXNKMUJSGV-LJQANCHMSA-N 1 2 440.519 3.378 50 30 IGEALO CN(C)c1ccc(/C=[NH+]/N2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4C3(C)C)C2=O)cc1 ZINC000002105261 569181030 /nfs/dbraw/zinc/18/10/30/569181030.db2.gz XAKGKDLWNAJGBW-WMPMWDHYSA-N 1 2 429.524 3.099 50 30 IGEALO C=C(C)COc1cc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)ccc1OC ZINC000252494240 569187821 /nfs/dbraw/zinc/18/78/21/569187821.db2.gz NPCRMTCMEDOYDY-UHFFFAOYSA-N 1 2 432.533 3.141 50 30 IGEALO C=C(C)COc1cc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)ccc1OC ZINC000252494240 569187820 /nfs/dbraw/zinc/18/78/20/569187820.db2.gz NPCRMTCMEDOYDY-UHFFFAOYSA-N 1 2 432.533 3.141 50 30 IGEALO COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3CN3CC[NH+](C)CC3)C1=O)cn2C ZINC000028182442 569408648 /nfs/dbraw/zinc/40/86/48/569408648.db2.gz AWGLVRNIGBEMOU-FMCGGJTJSA-N 1 2 433.508 3.256 50 30 IGEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000008817192 569476812 /nfs/dbraw/zinc/47/68/12/569476812.db2.gz IZZWWXPQXDBEAG-YDJIHCHBSA-N 1 2 444.915 3.385 50 30 IGEALO C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCCc4c[nH+]c[nH]4)cc3)c(=O)c2c1 ZINC000020736826 518616521 /nfs/dbraw/zinc/61/65/21/518616521.db2.gz ZVLWFBPIBZACAP-UHFFFAOYSA-N 1 2 443.507 3.345 50 30 IGEALO C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCCc4c[nH]c[nH+]4)cc3)c(=O)c2c1 ZINC000020736826 518616528 /nfs/dbraw/zinc/61/65/28/518616528.db2.gz ZVLWFBPIBZACAP-UHFFFAOYSA-N 1 2 443.507 3.345 50 30 IGEALO C=CCOc1cccc2c1cc(C(=O)NCC[NH+]1CCOCC1)n2Cc1cccc(F)c1 ZINC000035912904 519064675 /nfs/dbraw/zinc/06/46/75/519064675.db2.gz NMAHEGFJTLHQIP-UHFFFAOYSA-N 1 2 437.515 3.456 50 30 IGEALO CCc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)n2c3ccccc3nc2c1C#N ZINC000012547444 523795262 /nfs/dbraw/zinc/79/52/62/523795262.db2.gz NOHQLRVPWRDERS-DEOSSOPVSA-N 1 2 438.535 3.270 50 30 IGEALO N#Cc1ccc(/C=C2\CN(CC[NH+]3CCOCC3)C/C(=C\c3ccc(C#N)cc3)C2=O)cc1 ZINC000096034920 526585608 /nfs/dbraw/zinc/58/56/08/526585608.db2.gz ULBUMTWKLYZCNA-RYQLWAFASA-N 1 2 438.531 3.114 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccco1)c1ccc(Cl)cc1 ZINC000012574585 527670813 /nfs/dbraw/zinc/67/08/13/527670813.db2.gz QAVCBESGSMRITO-IBGZPJMESA-N 1 2 430.888 3.234 50 30 IGEALO CCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=[NH+]CCCO)C2=O)cc1 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C=CCC[C@H](O)C[N@@H+](C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036207756 518720723 /nfs/dbraw/zinc/72/07/23/518720723.db2.gz SUTXJNXPNSFBHV-HNNXBMFYSA-N 1 2 429.542 3.428 50 30 IGEALO C=CCC[C@H](O)C[N@H+](C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036207756 518720731 /nfs/dbraw/zinc/72/07/31/518720731.db2.gz SUTXJNXPNSFBHV-HNNXBMFYSA-N 1 2 429.542 3.428 50 30 IGEALO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccnc1 ZINC000013687993 524297452 /nfs/dbraw/zinc/29/74/52/524297452.db2.gz YVKNJUDRXZEDRV-FQEVSTJZSA-N 1 2 436.443 3.094 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccncc3)ccc2O1 ZINC000102674481 524974136 /nfs/dbraw/zinc/97/41/36/524974136.db2.gz MEZILQQFCOEEBK-MFNABZLCSA-N 1 2 444.491 3.114 50 30 IGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccncc3)ccc2O1 ZINC000013110727 525515657 /nfs/dbraw/zinc/51/56/57/525515657.db2.gz XVROKXSANWHAFJ-OPAMFIHVSA-N 1 2 444.491 3.270 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000022786183 526613399 /nfs/dbraw/zinc/61/33/99/526613399.db2.gz UPVUWJSXIRTAAF-UHFFFAOYSA-N 1 2 431.367 3.342 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000090530616 527672419 /nfs/dbraw/zinc/67/24/19/527672419.db2.gz LFSZLDJSHWDDDA-QFIPXVFZSA-N 1 2 445.475 3.323 50 30 IGEALO O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000090530616 527672422 /nfs/dbraw/zinc/67/24/22/527672422.db2.gz LFSZLDJSHWDDDA-QFIPXVFZSA-N 1 2 445.475 3.323 50 30 IGEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000019902889 556942294 /nfs/dbraw/zinc/94/22/94/556942294.db2.gz WVWYZYYZGZWVCK-JOCHJYFZSA-N 1 2 438.499 3.435 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102508364 557349040 /nfs/dbraw/zinc/34/90/40/557349040.db2.gz JJLOGVLMDFNQAE-GHNGSUTGSA-N 1 2 438.465 3.365 50 30 IGEALO 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Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000019216328 556711874 /nfs/dbraw/zinc/71/18/74/556711874.db2.gz BUWKSUMDXSGIQO-FQEVSTJZSA-N 1 2 428.460 3.028 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000102646846 557361039 /nfs/dbraw/zinc/36/10/39/557361039.db2.gz SWNOCRSUEBJXHO-WOOAAIBNSA-N 1 2 430.501 3.031 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102928223 557410335 /nfs/dbraw/zinc/41/03/35/557410335.db2.gz KQHGAUBKOIUXLE-MOBKVPTQSA-N 1 2 438.499 3.278 50 30 IGEALO COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000104175852 557452214 /nfs/dbraw/zinc/45/22/14/557452214.db2.gz OWBISYYDKDZOHG-YDJIHCHBSA-N 1 2 437.452 3.005 50 30 IGEALO N#Cc1c(SC[C@@H](O)C[NH+]2CCOCC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000001438857 568804341 /nfs/dbraw/zinc/80/43/41/568804341.db2.gz RBNURHOYKWWJGR-LBPRGKRZSA-N 1 2 429.489 3.486 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3I)CC2)cc1 ZINC000015742264 568818720 /nfs/dbraw/zinc/81/87/20/568818720.db2.gz RORVVFZLAGIBAH-UHFFFAOYSA-N 1 2 431.277 3.121 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 ZINC000020358881 569361801 /nfs/dbraw/zinc/36/18/01/569361801.db2.gz JXOCCLVFAVOMKQ-FQEVSTJZSA-N 1 2 441.915 3.036 50 30 IGEALO O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000008768358 569474936 /nfs/dbraw/zinc/47/49/36/569474936.db2.gz SSQDRLUMCXFCFE-ROUKRRSUSA-N 1 2 428.510 3.041 50 30 IGEALO C=CCSc1nc2ccccc2n1C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013137155 519083128 /nfs/dbraw/zinc/08/31/28/519083128.db2.gz JDMPAHJRGJIQFM-UHFFFAOYSA-N 1 2 446.573 3.418 50 30 IGEALO COCC[NH+](CCOC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000020504088 523719540 /nfs/dbraw/zinc/71/95/40/523719540.db2.gz WNGWYKIPBVCENQ-HMAPJEAMSA-N 1 2 443.496 3.120 50 30 IGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4cc[nH+]c4)[C@@H]3c3ccco3)ccc2O1 ZINC000095346181 524975934 /nfs/dbraw/zinc/97/59/34/524975934.db2.gz XEYQQLDFDXCYJJ-YCRPNKLZSA-N 1 2 433.464 3.468 50 30 IGEALO NC(=[NH+]OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccnc(N2CCCCC2)c1 ZINC000048365585 526813358 /nfs/dbraw/zinc/81/33/58/526813358.db2.gz CERCZQNBJUAWSI-UHFFFAOYSA-N 1 2 437.422 3.246 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102886267 526951584 /nfs/dbraw/zinc/95/15/84/526951584.db2.gz DRRUVVIFLWMNEU-YDJIHCHBSA-N 1 2 432.436 3.303 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 ZINC000008871798 556230059 /nfs/dbraw/zinc/23/00/59/556230059.db2.gz LZTVDMGWRAQXBZ-FQEVSTJZSA-N 1 2 441.915 3.036 50 30 IGEALO CCCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=[NH+]CCO)C2=O)cc1 ZINC000015930080 556565135 /nfs/dbraw/zinc/56/51/35/556565135.db2.gz WGJIROOKYHXEQT-LJQANCHMSA-N 1 2 427.526 3.110 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000019927862 556945806 /nfs/dbraw/zinc/94/58/06/556945806.db2.gz DRCSYXVNQMIMIC-OAQYLSRUSA-N 1 2 442.462 3.265 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(O)c1 ZINC000020189554 556996079 /nfs/dbraw/zinc/99/60/79/556996079.db2.gz SWBBEDJJLUGOCK-LTDXDOBXSA-N 1 2 448.519 3.092 50 30 IGEALO O=C(c1cccs1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1F ZINC000102486903 557331463 /nfs/dbraw/zinc/33/14/63/557331463.db2.gz BJIIULZZOCNIRH-WOOAAIBNSA-N 1 2 430.501 3.031 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102505386 557339525 /nfs/dbraw/zinc/33/95/25/557339525.db2.gz LFJQUVIZKAPBMQ-NHFXJNLRSA-N 1 2 432.436 3.303 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000102926182 557410096 /nfs/dbraw/zinc/41/00/96/557410096.db2.gz DPFMCYIVZSASJN-NHFXJNLRSA-N 1 2 432.436 3.303 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000102926184 557410130 /nfs/dbraw/zinc/41/01/30/557410130.db2.gz DPFMCYIVZSASJN-YDJIHCHBSA-N 1 2 432.436 3.303 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000008670584 562960714 /nfs/dbraw/zinc/96/07/14/562960714.db2.gz NWLCRJHSOYZHBJ-NRFANRHFSA-N 1 2 435.553 3.119 50 30 IGEALO C[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000002420140 569301825 /nfs/dbraw/zinc/30/18/25/569301825.db2.gz AGTOAOHZBGHJKR-IBGZPJMESA-N 1 2 441.944 3.074 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cn4nnc5ccccc54)cc3)CC2)cc1 ZINC000013120661 569310871 /nfs/dbraw/zinc/31/08/71/569310871.db2.gz IZGBVRKGBGNFSL-UHFFFAOYSA-N 1 2 436.519 3.309 50 30 IGEALO O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1Cl ZINC000020083767 569333804 /nfs/dbraw/zinc/33/38/04/569333804.db2.gz FXOXYMJIPYFYPK-IBGZPJMESA-N 1 2 430.888 3.234 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000009008164 569496238 /nfs/dbraw/zinc/49/62/38/569496238.db2.gz WVUVWUXQUMLQNS-FQEVSTJZSA-N 1 2 442.537 3.057 50 30 IGEALO CC1CCN(C(=O)C[NH+]2CCN(c3nc(-c4ccco4)c4c(c3C#N)CCC4)CC2)CC1 ZINC000009410744 132316101 /nfs/dbraw/zinc/31/61/01/132316101.db2.gz CNTAXXVAVWDZLQ-UHFFFAOYSA-N 1 2 433.556 3.082 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccco2)cc1F ZINC000013685284 523554976 /nfs/dbraw/zinc/55/49/76/523554976.db2.gz OWUOLPGOUGVRGT-IBGZPJMESA-N 1 2 425.416 3.292 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccn2)cc1F ZINC000013693251 523557171 /nfs/dbraw/zinc/55/71/71/523557171.db2.gz MNZUHISZZJXJOH-FQEVSTJZSA-N 1 2 436.443 3.094 50 30 IGEALO COCC[NH+](CCOC)Cc1c2c(ccc1O)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 ZINC000020517739 523718685 /nfs/dbraw/zinc/71/86/85/523718685.db2.gz CNFPSGBOITZWGV-MOSHPQCFSA-N 1 2 428.441 3.011 50 30 IGEALO Cc1cc(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n2c3ccccc3nc2c1C#N ZINC000012629862 525078313 /nfs/dbraw/zinc/07/83/13/525078313.db2.gz XKKWYPVXDQKJID-OALUTQOASA-N 1 2 444.583 3.294 50 30 IGEALO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000013692980 527605641 /nfs/dbraw/zinc/60/56/41/527605641.db2.gz RVWMMRHZOQBANY-FQEVSTJZSA-N 1 2 437.475 3.041 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 ZINC000012776148 527671364 /nfs/dbraw/zinc/67/13/64/527671364.db2.gz OZKMBEPJLQNUJQ-FQEVSTJZSA-N 1 2 441.915 3.036 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000095536879 527672304 /nfs/dbraw/zinc/67/23/04/527672304.db2.gz PQKYWFSJUVZYOK-HXUWFJFHSA-N 1 2 432.436 3.460 50 30 IGEALO CC[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000015930056 556565072 /nfs/dbraw/zinc/56/50/72/556565072.db2.gz KCABGURKQYBMHO-SFHVURJKSA-N 1 2 427.482 3.086 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000096832990 556846988 /nfs/dbraw/zinc/84/69/88/556846988.db2.gz RORZZEAZUHHOQE-HXUWFJFHSA-N 1 2 432.436 3.460 50 30 IGEALO CC(C)c1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCC[NH+]2CCOCC2)cc1 ZINC000046134230 557040776 /nfs/dbraw/zinc/04/07/76/557040776.db2.gz XZBMZIGUXGBXDE-UHFFFAOYSA-N 1 2 438.528 3.069 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102797468 557388819 /nfs/dbraw/zinc/38/88/19/557388819.db2.gz MSHWJKYIGYCOEE-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102797468 557388820 /nfs/dbraw/zinc/38/88/20/557388820.db2.gz MSHWJKYIGYCOEE-HOGKFDNTSA-N 1 2 447.491 3.412 50 30 IGEALO O=C(c1ccco1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1Cl ZINC000102929302 557410686 /nfs/dbraw/zinc/41/06/86/557410686.db2.gz NBPPVUKRJYCVFH-WOOAAIBNSA-N 1 2 430.888 3.077 50 30 IGEALO C[NH+](C)c1ccc(N2/C(=N/C(=O)CC3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009581030 562973559 /nfs/dbraw/zinc/97/35/59/562973559.db2.gz PFVOIHMNXBYXST-ZSBAHVMLSA-N 1 2 435.615 3.324 50 30 IGEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccn2)cc1 ZINC000006143744 568845885 /nfs/dbraw/zinc/84/58/85/568845885.db2.gz DJEUTKPNWQUVMA-NRFANRHFSA-N 1 2 432.480 3.345 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccncc1 ZINC000020392052 569363349 /nfs/dbraw/zinc/36/33/49/569363349.db2.gz DQJLRRZEGMXMMY-FQEVSTJZSA-N 1 2 441.915 3.036 50 30 IGEALO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 ZINC000029122372 569427245 /nfs/dbraw/zinc/42/72/45/569427245.db2.gz CPMXEMFWBJOSEX-UHFFFAOYSA-N 1 2 432.524 3.356 50 30 IGEALO CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2cccc(C)c2)CC1 ZINC000008871148 569480686 /nfs/dbraw/zinc/48/06/86/569480686.db2.gz ZHQUHFSWOYALRU-OAQYLSRUSA-N 1 2 435.553 3.119 50 30 IGEALO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009173861 569509637 /nfs/dbraw/zinc/50/96/37/569509637.db2.gz ILKFJEGBHXZILG-AYWGPLOBSA-N 1 2 434.536 3.447 50 30 IGEALO Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(F)c1 ZINC000009275205 569518367 /nfs/dbraw/zinc/51/83/67/569518367.db2.gz RXKPQQZBPKNJSI-HXUWFJFHSA-N 1 2 436.487 3.230 50 30 IGEALO CC(C)c1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000013608171 132351583 /nfs/dbraw/zinc/35/15/83/132351583.db2.gz MADLBVLKXSNJPW-UHFFFAOYSA-N 1 2 439.604 3.062 50 30 IGEALO N#Cc1c2c(c(-c3ccco3)nc1N1CC[NH+](CC(=O)NCc3ccccc3)CC1)CCC2 ZINC000013609908 132351588 /nfs/dbraw/zinc/35/15/88/132351588.db2.gz XKZRPWUNHSNINH-UHFFFAOYSA-N 1 2 441.535 3.140 50 30 IGEALO C=CCn1c(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2[nH]c1=S ZINC000012744672 519198156 /nfs/dbraw/zinc/19/81/56/519198156.db2.gz DRNFPPRQWUBDJP-OAQYLSRUSA-N 1 2 434.565 3.438 50 30 IGEALO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccccc2F)c(C)n1 ZINC000013688909 527222983 /nfs/dbraw/zinc/22/29/83/527222983.db2.gz GMCGGDWOPOFUAA-HXUWFJFHSA-N 1 2 435.459 3.098 50 30 IGEALO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000020190809 556996175 /nfs/dbraw/zinc/99/61/75/556996175.db2.gz VUANKLBIGIJPSF-BYUVYSIJSA-N 1 2 432.520 3.387 50 30 IGEALO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccco1 ZINC000102737632 557379798 /nfs/dbraw/zinc/37/97/98/557379798.db2.gz FMWBPPZOGREPTM-LFVOPCPISA-N 1 2 425.416 3.136 50 30 IGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccccc2)c(OC)c1 ZINC000102740182 557380572 /nfs/dbraw/zinc/38/05/72/557380572.db2.gz YRWLRZYTKYFBAD-MOBKVPTQSA-N 1 2 447.491 3.412 50 30 IGEALO COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000100455328 557403944 /nfs/dbraw/zinc/40/39/44/557403944.db2.gz REFDZHCGTSWCNY-MOBKVPTQSA-N 1 2 447.491 3.412 50 30 IGEALO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccncc2)c1 ZINC000006134333 568845038 /nfs/dbraw/zinc/84/50/38/568845038.db2.gz KMUQNAFRLBLMID-NRFANRHFSA-N 1 2 432.480 3.345 50 30 IGEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc4c(C)cc(=O)oc4c1)[N@H+](C)CC3)OCO2 ZINC000020111734 569334561 /nfs/dbraw/zinc/33/45/61/569334561.db2.gz GHNGNYPHJNRHSC-LJQANCHMSA-N 1 2 433.460 3.450 50 30 IGEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc4c(C)cc(=O)oc4c1)[N@@H+](C)CC3)OCO2 ZINC000020111734 569334563 /nfs/dbraw/zinc/33/45/63/569334563.db2.gz GHNGNYPHJNRHSC-LJQANCHMSA-N 1 2 433.460 3.450 50 30 IGEALO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2O)[C@@H]1c1cccnc1 ZINC000020309110 569359690 /nfs/dbraw/zinc/35/96/90/569359690.db2.gz FCKQSFAVEIBXMH-NRFANRHFSA-N 1 2 431.492 3.470 50 30 IGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000009412948 569531649 /nfs/dbraw/zinc/53/16/49/569531649.db2.gz FCJWTIBCSFVXDF-JBCNATCCSA-N 1 2 442.462 3.109 50 30 IGEALO