smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c([nH+]1)N(c1ccc(C#N)cc1C)CC2 ZINC000006716353 204194262 /nfs/dbraw/zinc/19/42/62/204194262.db2.gz XXPAAMLRLMOPBB-UHFFFAOYSA-N 1 0 399.458 2.980 1 30 GFEFRO N#Cc1ccc([C@H](c2cccnc2)[NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)cc1 ZINC000072100992 205303160 /nfs/dbraw/zinc/30/31/60/205303160.db2.gz WLNYBPMJTVBYMQ-OAQYLSRUSA-N 1 0 386.459 2.660 1 30 GFEFRO CC(C)(C)[NH2+]C[C@H](O)CO/N=C1/c2ccccc2[C@H]2CCCC[C@@]12OCCO ZINC000169343124 205829442 /nfs/dbraw/zinc/82/94/42/205829442.db2.gz JNPZIROFILLMAS-ATRCXFSNSA-N 1 0 390.524 2.575 1 30 GFEFRO C=CC[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21C=C[C@](OC)([C@@H]3O5)[C@@H](N=S)C1 ZINC000095584820 206217167 /nfs/dbraw/zinc/21/71/67/206217167.db2.gz ULHPJVDCKRMPFQ-LRVUYGIZSA-N 1 0 396.512 2.652 1 30 GFEFRO N#Cc1ccc(C[N@H+]2CCCC3(CCN(C(=O)c4cnccn4)CC3)C2)cc1 ZINC000004238148 204034278 /nfs/dbraw/zinc/03/42/78/204034278.db2.gz GRJYIEJGBHWIOS-UHFFFAOYSA-N 1 0 375.476 2.867 1 30 GFEFRO CCCCCCCc1nc(-c2ccc(CNC(=O)[C@H]3[NH2+]CC[C@@H]3O)cc2)no1 ZINC000058523416 205176964 /nfs/dbraw/zinc/17/69/64/205176964.db2.gz CMLALAZUOVTKKV-HKUYNNGSSA-N 1 0 386.496 2.589 1 30 GFEFRO O=C(C[n+]1cccc(C(=O)Nc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103174893 205641698 /nfs/dbraw/zinc/64/16/98/205641698.db2.gz MJVCVCVAAKEHAZ-UHFFFAOYSA-O 1 0 377.380 2.773 1 30 GFEFRO C=CC[N@@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000253687048 717167870 /nfs/dbraw/zinc/16/78/70/717167870.db2.gz HPYWWIDPSXNWLB-MWEILKSESA-N 1 0 375.492 2.793 1 30 GFEFRO N#Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4csnn4)CC3)CC2)cc1 ZINC000003956407 204022747 /nfs/dbraw/zinc/02/27/47/204022747.db2.gz QLEZKZKVKYHNPD-UHFFFAOYSA-N 1 0 381.505 2.928 1 30 GFEFRO Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CC[NH2+]CC4)cc3)oc21 ZINC000066102405 222137158 /nfs/dbraw/zinc/13/71/58/222137158.db2.gz LYMFIFLGWWUZLI-UHFFFAOYSA-N 1 0 375.432 2.519 1 30 GFEFRO CCCCCCCc1nnc(-c2ccc(CNC(=O)[C@H]3[NH2+]CC[C@@H]3O)cc2)o1 ZINC000058523435 205177581 /nfs/dbraw/zinc/17/75/81/205177581.db2.gz FIRXDMCIGHAVPG-HKUYNNGSSA-N 1 0 386.496 2.589 1 30 GFEFRO Cc1cc(=O)n2c3ccccc3n(C[C@H](O)[NH+]3CCC(C)(C)CC3)c2c1C#N ZINC000066258512 205241204 /nfs/dbraw/zinc/24/12/04/205241204.db2.gz OMWJEIVYQYDHCY-FQEVSTJZSA-N 1 0 378.476 2.875 1 30 GFEFRO N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCN(CCc3ccccc3)C2=O)cc1 ZINC000013863848 581100985 /nfs/dbraw/zinc/10/09/85/581100985.db2.gz CFMXTSHLOSTNDP-QHCPKHFHSA-N 1 0 399.498 2.736 1 30 GFEFRO N#Cc1ccc([C@@H](c2cccnc2)[NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)cc1 ZINC000072100993 205302834 /nfs/dbraw/zinc/30/28/34/205302834.db2.gz WLNYBPMJTVBYMQ-NRFANRHFSA-N 1 0 386.459 2.660 1 30 GFEFRO Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccccc1S(N)(=O)=O ZINC000013804270 206999310 /nfs/dbraw/zinc/99/93/10/206999310.db2.gz XNSPPXBMBJLHNG-UHFFFAOYSA-O 1 0 396.492 2.544 1 30 GFEFRO CCC(=O)Nc1ccc(-c2ccc(-c3ccccc3)n2CC(=O)NC(N)=[NH2+])cc1 ZINC000029040169 207352735 /nfs/dbraw/zinc/35/27/35/207352735.db2.gz WVDDRJQKZVRODI-UHFFFAOYSA-N 1 0 389.459 2.971 1 30 GFEFRO CC1CCN(c2cc(N3CC[NH2+]CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000029039426 207353626 /nfs/dbraw/zinc/35/36/26/207353626.db2.gz YPPDZAOVZSJMKT-UHFFFAOYSA-N 1 0 392.507 2.785 1 30 GFEFRO CN(C)c1ccc(CN(CCCC[NH3+])C(=O)CCCCCCC(=O)NO)cc1 ZINC000013674156 206989608 /nfs/dbraw/zinc/98/96/08/206989608.db2.gz DGMMRGJYTFTKHV-UHFFFAOYSA-N 1 0 392.544 2.666 1 30 GFEFRO C[NH+]1CCC(Nc2ccc3ncc(-c4cnn(-c5ccc(C#N)cc5)c4)n3n2)CC1 ZINC000096937450 208331781 /nfs/dbraw/zinc/33/17/81/208331781.db2.gz XWNIMTDJLUFBOE-UHFFFAOYSA-N 1 0 398.474 2.960 1 30 GFEFRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC ZINC000028876506 206255559 /nfs/dbraw/zinc/25/55/59/206255559.db2.gz FKUQSZKJDBSUAF-ZDUSSCGKSA-N 1 0 383.286 2.847 1 30 GFEFRO N#Cc1ccc(Cn2cncc2CC[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000013863853 581101106 /nfs/dbraw/zinc/10/11/06/581101106.db2.gz OVIRLMBMKPLLBQ-HSZRJFAPSA-N 1 0 399.498 2.736 1 30 GFEFRO COc1ccc(-c2ccc(-c3ccc(OC)cc3)n2CC(=O)NC(N)=[NH2+])cc1 ZINC000029040001 207353865 /nfs/dbraw/zinc/35/38/65/207353865.db2.gz MBUQBKHZBSKHLG-UHFFFAOYSA-N 1 0 378.432 2.639 1 30 GFEFRO N#Cc1ccccc1Cn1c(=O)c2cc(Cl)ccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000014961061 210134558 /nfs/dbraw/zinc/13/45/58/210134558.db2.gz LGQVNFUOFPCSSQ-QGZVFWFLSA-N 1 0 393.878 2.897 1 30 GFEFRO N#Cc1ccccc1Cn1c(=O)c2ccc(Cl)cc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000014961064 210134167 /nfs/dbraw/zinc/13/41/67/210134167.db2.gz IPGJEBMBCSCKBX-QGZVFWFLSA-N 1 0 393.878 2.897 1 30 GFEFRO CCCCCCC[NH2+][C@@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103280065 211426262 /nfs/dbraw/zinc/42/62/62/211426262.db2.gz NBMDKALKGVTPNQ-IKLKHMQRSA-N 1 0 387.517 2.760 1 30 GFEFRO C#CCCC(=O)Nc1ccc2c(Cl)c(OCCSC(N)=[NH2+])oc(=O)c2c1 ZINC000084712793 209235688 /nfs/dbraw/zinc/23/56/88/209235688.db2.gz AUVGJQVIHWBOAG-UHFFFAOYSA-N 1 0 393.852 2.804 1 30 GFEFRO COc1c2c(cc3c1[C@@H]1C(=O)c4ccc5c(c4C[N+]1(C)CC3)OCO5)OCO2 ZINC000013409165 717107722 /nfs/dbraw/zinc/10/77/22/717107722.db2.gz SFKICQDFOFOUIY-PLEWWHCXSA-N 1 0 382.392 2.593 1 30 GFEFRO CN(C)c1ccc(C[NH2+]CCCCNC(=O)CCCCCCC(=O)NO)cc1 ZINC000013674144 210078248 /nfs/dbraw/zinc/07/82/48/210078248.db2.gz IQPZBZGZOHKNLJ-UHFFFAOYSA-N 1 0 392.544 2.585 1 30 GFEFRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC ZINC000034343076 209182536 /nfs/dbraw/zinc/18/25/36/209182536.db2.gz QSMBPKWYIRFETR-NSHDSACASA-N 1 0 399.285 2.552 1 30 GFEFRO C=CC[C@H](Oc1cc(N)c(Cl)cc1C(=O)NCC[NH+](CC)CC)C(C)=O ZINC000029340752 209179442 /nfs/dbraw/zinc/17/94/42/209179442.db2.gz OXAYWGRIUZPWTG-KRWDZBQOSA-N 1 0 381.904 2.906 1 30 GFEFRO CC(C)[NH2+]C[C@H](O)CO/N=C1/c2ccccc2[C@@H]2CCCCC[C@]12OCCO ZINC000026938102 210507094 /nfs/dbraw/zinc/50/70/94/210507094.db2.gz VNLYTSDSKZOHNF-SIZNVVJLSA-N 1 0 390.524 2.575 1 30 GFEFRO CCOc1ccccc1N1CC[NH+](CCCN=C(NC#N)c2ccccn2)CC1 ZINC000082154952 136174087 /nfs/dbraw/zinc/17/40/87/136174087.db2.gz NHUMMWMTKRGTLW-UHFFFAOYSA-N 1 0 392.507 2.510 1 30 GFEFRO C=CCn1c2ccccc2c2nn(CC[NH2+]CCO)c3ccc([N+](=O)[O-])c1c32 ZINC000027102932 212108372 /nfs/dbraw/zinc/10/83/72/212108372.db2.gz NFHOBFOYRVPQMI-UHFFFAOYSA-N 1 0 379.420 2.820 1 30 GFEFRO C=CC[C@@H](Oc1cc(N)c(Cl)cc1C(=O)NCC[NH+](CC)CC)C(C)=O ZINC000029340754 212109953 /nfs/dbraw/zinc/10/99/53/212109953.db2.gz OXAYWGRIUZPWTG-QGZVFWFLSA-N 1 0 381.904 2.906 1 30 GFEFRO CC(C)(C)[NH2+]C[C@@H](O)CO/N=C1/c2ccccc2[C@@H]2CCCC[C@]12OCCO ZINC000026938074 221649294 /nfs/dbraw/zinc/64/92/94/221649294.db2.gz JNPZIROFILLMAS-KQLJJZSPSA-N 1 0 390.524 2.575 1 30 GFEFRO CC(C)(C)[NH2+]C[C@H](O)CO/N=C1/c2ccccc2[C@@H]2CCCC[C@@]12OCCO ZINC000169343122 222536202 /nfs/dbraw/zinc/53/62/02/222536202.db2.gz JNPZIROFILLMAS-USFFVAHTSA-N 1 0 390.524 2.575 1 30 GFEFRO C[C@]12CC[C@H]3[C@@H](C[C@H](C(N)=O)[C@H]4C/C(=N/OCC[NH3+])CC[C@@]43C)[C@@H]1CCC2=O ZINC000049802695 222003484 /nfs/dbraw/zinc/00/34/84/222003484.db2.gz ZUABRELYPVOZKM-MNGDTMOASA-N 1 0 389.540 2.641 1 30 GFEFRO CONC(=O)c1ccc(Oc2ccc(C#C[C@]3(O)C[NH+]4CCC3CC4)cc2)cc1 ZINC000073224905 222268516 /nfs/dbraw/zinc/26/85/16/222268516.db2.gz HPKSKDNLXCDEMU-QHCPKHFHSA-N 1 0 392.455 2.578 1 30 GFEFRO CN(C)/C=C/C(=O)c1c[nH]c2ccc(-c3cncc(NCC[NH+](C)C)n3)cc12 ZINC000169348295 222535472 /nfs/dbraw/zinc/53/54/72/222535472.db2.gz DUFIMJJOXXCXAS-VQHVLOKHSA-N 1 0 378.480 2.856 1 30 GFEFRO CC(C)(C)[NH2+]C[C@@H](O)CO/N=C1/c2ccccc2[C@@H]2CCCC[C@@]12OCCO ZINC000058486800 205177331 /nfs/dbraw/zinc/17/73/31/205177331.db2.gz JNPZIROFILLMAS-IEASDVSPSA-N 1 0 390.524 2.575 1 30 GFEFRO O=C(NO)c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccc5ccccc5c4)C[C@@H]3C2)nc1 ZINC000064539073 222072793 /nfs/dbraw/zinc/07/27/93/222072793.db2.gz DANQOBBFZRKLFG-OYRHEFFESA-N 1 0 388.471 2.922 1 30 GFEFRO CCCCCCCCc1ccc(CC[C@@]([NH3+])(CO)CO[PH](O)(O)O)cc1 ZINC000036178419 205008343 /nfs/dbraw/zinc/00/83/43/205008343.db2.gz LCRADRCUDVEFGB-LJQANCHMSA-N 1 0 389.473 2.615 1 30 GFEFRO CCCCCCCn1cc[n+](C[C@@H](O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000043422840 205083222 /nfs/dbraw/zinc/08/32/22/205083222.db2.gz ZPVANISAICWROX-LJQANCHMSA-N 1 0 380.534 2.851 1 30 GFEFRO CCCCCCCn1cc[n+](C[C@H](O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000043422839 205083951 /nfs/dbraw/zinc/08/39/51/205083951.db2.gz ZPVANISAICWROX-IBGZPJMESA-N 1 0 380.534 2.851 1 30 GFEFRO S=C(N=C1NC[C@@H](C[NH+]2CCN(c3ccccc3)CC2)O1)Nc1ccccc1 ZINC000005581453 204141061 /nfs/dbraw/zinc/14/10/61/204141061.db2.gz PXKDGDIVNXNKHC-IBGZPJMESA-N 1 0 395.532 2.550 1 30 GFEFRO CC1(C)CC(=O)C2=C(C1)N(CCN1CC[NH2+]CC1)N=C(c1ccc(F)cc1)C2 ZINC000169325959 205827761 /nfs/dbraw/zinc/82/77/61/205827761.db2.gz XOADWDMGDYSIRT-UHFFFAOYSA-N 1 0 384.499 2.784 1 30 GFEFRO N#Cc1ccc2[nH]cc(CCC[NH2+][C@@H]3COc4ccc5c(c4C3)C(=O)NC5)c2c1 ZINC000045385604 205095664 /nfs/dbraw/zinc/09/56/64/205095664.db2.gz RQESDRFAXQLNBU-KRWDZBQOSA-N 1 0 386.455 2.809 1 30 GFEFRO Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000013804279 204514826 /nfs/dbraw/zinc/51/48/26/204514826.db2.gz XLMILBGZNVESGF-UHFFFAOYSA-O 1 0 396.492 2.544 1 30 GFEFRO COc1cc(C#Cc2nc3ncccc3nc2OCCC[NH+](C)C)cc(OC)c1 ZINC000072181518 206208313 /nfs/dbraw/zinc/20/83/13/206208313.db2.gz DIHIWKCMWXAKKV-UHFFFAOYSA-N 1 0 392.459 2.772 1 30 GFEFRO COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1ccccn1 ZINC000066252248 206226440 /nfs/dbraw/zinc/22/64/40/206226440.db2.gz IHELWHOGIXQUBH-UHFFFAOYSA-N 1 0 398.466 2.847 1 30 in-vivo GFEFRO CS(=O)(=O)c1ccc(Oc2ccc(C#C[C@]3(O)C[NH+]4CCC3CC4)cc2)cc1 ZINC000073224269 209111016 /nfs/dbraw/zinc/11/10/16/209111016.db2.gz SBZWCADMWCTYJD-QFIPXVFZSA-N 1 0 397.496 2.691 1 30 GFEFRO CC(C)[NH2+]C[C@@H](O)CO/N=C1/c2ccccc2[C@H]2CCCCC[C@]12OCCO ZINC000026938107 207320710 /nfs/dbraw/zinc/32/07/10/207320710.db2.gz VNLYTSDSKZOHNF-CDDCJKBCSA-N 1 0 390.524 2.575 1 30 GFEFRO N#Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CC[NH2+]CC3)cs2)cn1 ZINC000084704766 136175203 /nfs/dbraw/zinc/17/52/03/136175203.db2.gz KUCMDULQRKIFIN-UHFFFAOYSA-N 1 0 390.472 2.739 1 30 GFEFRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)c[nH]3)c(N3CCCCC3)c2)CC1 ZINC000029039476 207353614 /nfs/dbraw/zinc/35/36/14/207353614.db2.gz NZRFILSWDBFAQV-UHFFFAOYSA-N 1 0 392.507 2.881 1 30 GFEFRO C=CC[N@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000253687042 717167847 /nfs/dbraw/zinc/16/78/47/717167847.db2.gz HPYWWIDPSXNWLB-DYXDWXSYSA-N 1 0 375.492 2.793 1 30 GFEFRO CC(C)NC(=[NH2+])NC(N)=NOCCCOc1ccc(C(F)(F)F)cc1Cl ZINC000028476794 207342679 /nfs/dbraw/zinc/34/26/79/207342679.db2.gz MDQXIRVPHPDMGM-UHFFFAOYSA-N 1 0 395.813 2.896 1 30 GFEFRO N#Cc1ccccc1Cn1c(=O)c2cccc(Cl)c2nc1N1CCC[C@@H]([NH3+])C1 ZINC000014961068 207035528 /nfs/dbraw/zinc/03/55/28/207035528.db2.gz OBBPMZQSYHHZLS-MRXNPFEDSA-N 1 0 393.878 2.897 1 30 GFEFRO CCC[C@@H]1OC(C(=O)NCCC[NH+](C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029344546 207360676 /nfs/dbraw/zinc/36/06/76/207360676.db2.gz BKAGIQWHAGEBHX-KRWDZBQOSA-N 1 0 382.460 2.513 1 30 GFEFRO COc1ccc2c(c1CN1CC[NH2+]CC1)O/C(=C\c1c[nH]c3cnccc13)C2=O ZINC000095562062 208231995 /nfs/dbraw/zinc/23/19/95/208231995.db2.gz GZVLKFFYCJUAPT-JMIUGGIZSA-N 1 0 390.443 2.593 1 30 GFEFRO N#Cc1ccc(CC[NH+]2CCN(CCc3ccc4c(c3)COC4=O)CC2)cc1 ZINC000095561227 208232779 /nfs/dbraw/zinc/23/27/79/208232779.db2.gz ITKLWGVJMIJZNQ-UHFFFAOYSA-N 1 0 375.472 2.631 1 30 GFEFRO CCCCCCC[NH2+][C@@H](CC(=O)OCC)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103272838 208423772 /nfs/dbraw/zinc/42/37/72/208423772.db2.gz NBMDKALKGVTPNQ-GPFWEFOESA-N 1 0 387.517 2.760 1 30 GFEFRO N#Cc1ccc(Cn2cncc2CC[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000013863851 581101123 /nfs/dbraw/zinc/10/11/23/581101123.db2.gz SBIMUGAYTIMITB-JOCHJYFZSA-N 1 0 385.471 2.741 1 30 GFEFRO C=CC[N@H+]1CC[C@@]23c4c5c(OC(C)=O)ccc4C[C@@H]1[C@@H]2C=C[C@H](OC(C)=O)[C@@H]3O5 ZINC000004215581 209137065 /nfs/dbraw/zinc/13/70/65/209137065.db2.gz PRQBBJWORXAHMN-JIAAILLZSA-N 1 0 395.455 2.545 1 30 in-man GFEFRO C[NH+](C)CCNC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N\O ZINC000066066503 211000793 /nfs/dbraw/zinc/00/07/93/211000793.db2.gz PVDQHLYZQBCVLS-KOEQRZSOSA-N 1 0 393.447 2.987 1 30 GFEFRO CC(C)[NH2+]C[C@@H](O)CO/N=C1/c2ccccc2[C@@H]2CCCCC[C@]12OCCO ZINC000026938097 210507946 /nfs/dbraw/zinc/50/79/46/210507946.db2.gz VNLYTSDSKZOHNF-HQRQUAHJSA-N 1 0 390.524 2.575 1 30 GFEFRO CN(C)C(=O)c1ccc(Oc2ccc(C#C[C@]3(O)C[NH+]4CCC3CC4)cc2)cc1 ZINC000073373282 212058241 /nfs/dbraw/zinc/05/82/41/212058241.db2.gz ACFGWGVCEQHPKH-DEOSSOPVSA-N 1 0 390.483 2.989 1 30 GFEFRO COc1ccc(N2N=[O+]C(=O)C2CNc2nc3ccc(C#N)cc3s2)cc1 ZINC000098083366 211379298 /nfs/dbraw/zinc/37/92/98/211379298.db2.gz YSHSXQAIRBXDMK-UHFFFAOYSA-O 1 0 380.409 2.759 1 30 GFEFRO CC(C)(C)[NH2+]C[C@H](O)CO/N=C1/c2ccccc2[C@@H]2CCCC[C@]12OCCO ZINC000026938079 210507101 /nfs/dbraw/zinc/50/71/01/210507101.db2.gz JNPZIROFILLMAS-FJVJCQOZSA-N 1 0 390.524 2.575 1 30 GFEFRO CSCC[C@H]([NH2+]Cc1cccc2c(NC[C@@H]([NH3+])CS)cccc12)C(=O)[O-] ZINC000013762262 210089249 /nfs/dbraw/zinc/08/92/49/210089249.db2.gz KNPCNXIVYPOVIW-KDOFPFPSSA-N 1 0 393.578 2.805 1 30 GFEFRO O=C(/C=C/c1ccc(C[N@H+](CCO)CCc2cnc3ccccc3c2)cc1)NO ZINC000013528211 581101865 /nfs/dbraw/zinc/10/18/65/581101865.db2.gz JVSDGNQVIROSQO-MDZDMXLPSA-N 1 0 391.471 2.790 1 30 GFEFRO COc1ccc2c(c1CN1CC[NH2+]CC1)OC(=Cc1c[nH]c3cccnc13)C2=O ZINC000095562411 211276973 /nfs/dbraw/zinc/27/69/73/211276973.db2.gz SNFXRDPAATZIPK-ODLFYWEKSA-N 1 0 390.443 2.593 1 30 GFEFRO COc1ccc2c(c1CN1CC[NH2+]CC1)OC(=Cc1c[nH]c3ncccc13)C2=O ZINC000095563586 211276647 /nfs/dbraw/zinc/27/66/47/211276647.db2.gz GZGLZFSLPIMAQV-ODLFYWEKSA-N 1 0 390.443 2.593 1 30 GFEFRO Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccccc2)c(C#N)c1=O ZINC000096911100 136187759 /nfs/dbraw/zinc/18/77/59/136187759.db2.gz TYSRIGUUUQSPKL-UHFFFAOYSA-N 1 0 385.471 2.641 1 30 GFEFRO COc1ccc(-c2ccc(-c3ccccc3OC)n2CC(=O)NC(N)=[NH2+])cc1 ZINC000029039672 221688920 /nfs/dbraw/zinc/68/89/20/221688920.db2.gz CGUUXONZQOAUGF-UHFFFAOYSA-N 1 0 378.432 2.639 1 30 GFEFRO C=CC[N+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000027518433 212108040 /nfs/dbraw/zinc/10/80/40/212108040.db2.gz HPYWWIDPSXNWLB-HWHTXHROSA-N 1 0 375.492 2.793 1 30 GFEFRO