smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c2n(c1C)N=C(c1ccc(Cl)cc1)c1cc3c(cc1C2)OCO3 ZINC000013647810 204542100 /nfs/dbraw/zinc/54/21/00/204542100.db2.gz CYGWKVYTOAHANW-UHFFFAOYSA-N 1 2 365.820 4.087 1 0 FIAFLO CCO[C@H](c1ccc(C(=O)OC)cc1)[C@H](SC(C)(C)C)n1cc[nH+]c1 ZINC000045366128 205121008 /nfs/dbraw/zinc/12/10/08/205121008.db2.gz PFORGQXALRKXGD-SJORKVTESA-N 1 2 362.495 4.478 1 0 FIAFLO O=S(=O)(Oc1ccc(Cl)cc1)c1ccc2[nH]c3cc[nH+]cc3c2c1 ZINC000040877678 205084356 /nfs/dbraw/zinc/08/43/56/205084356.db2.gz DVZSBCJGKJDENR-UHFFFAOYSA-N 1 2 358.806 4.137 1 0 FIAFLO C[NH+](C)Cc1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000061928177 205289429 /nfs/dbraw/zinc/28/94/29/205289429.db2.gz WPMDKNANZGOFDT-UHFFFAOYSA-N 1 2 366.490 4.440 3 0 FIAFLO CSc1ccc(C[N@@H+]2CC[C@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000061925843 205289752 /nfs/dbraw/zinc/28/97/52/205289752.db2.gz LXODSPSAKYHCCS-IFMALSPDSA-N 1 2 366.530 4.177 3 0 FIAFLO CSc1ccc(C[N@H+]2CC[C@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000061925843 205289755 /nfs/dbraw/zinc/28/97/55/205289755.db2.gz LXODSPSAKYHCCS-IFMALSPDSA-N 1 2 366.530 4.177 3 0 FIAFLO CN(C(=O)c1ccccc1)[C@H]1CC[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169322537 206249961 /nfs/dbraw/zinc/24/99/61/206249961.db2.gz CBKITFXAXRCKLT-UWJYYQICSA-N 1 2 359.473 4.002 1 0 FIAFLO CN(C(=O)c1ccccc1)[C@H]1CC[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169322537 206249965 /nfs/dbraw/zinc/24/99/65/206249965.db2.gz CBKITFXAXRCKLT-UWJYYQICSA-N 1 2 359.473 4.002 1 0 FIAFLO Cc1ccc(N2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)c(C)c1 ZINC000072185312 136143822 /nfs/dbraw/zinc/14/38/22/136143822.db2.gz QDLCEBFVVVTXPR-UHFFFAOYSA-N 1 2 365.452 4.420 1 0 FIAFLO CCO[C@H](c1ccc2c(c1)OCCO2)[C@H](SC(C)(C)C)n1cc[nH+]c1 ZINC000045365263 205120926 /nfs/dbraw/zinc/12/09/26/205120926.db2.gz CAUHKDAIFSLMRU-MSOLQXFVSA-N 1 2 362.495 4.462 1 0 FIAFLO CCO[C@H](c1ccc(Cl)cc1)[C@@H](n1cc[nH+]c1)S(=O)(=O)C(C)(C)C ZINC000045365844 205121376 /nfs/dbraw/zinc/12/13/76/205121376.db2.gz LEBRSRSANYGCEZ-CVEARBPZSA-N 1 2 370.902 4.026 1 0 FIAFLO CN(C(=O)c1ccccc1)[C@@H]1CC[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169322535 206251218 /nfs/dbraw/zinc/25/12/18/206251218.db2.gz CBKITFXAXRCKLT-UTKZUKDTSA-N 1 2 359.473 4.002 1 0 FIAFLO CN(C(=O)c1ccccc1)[C@@H]1CC[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169322535 206251222 /nfs/dbraw/zinc/25/12/22/206251222.db2.gz CBKITFXAXRCKLT-UTKZUKDTSA-N 1 2 359.473 4.002 1 0 FIAFLO COc1ccc(-c2onc(-c3c(C)cc(C)cc3C)c2C2=[NH+]CCN2)cc1 ZINC000001629440 204015468 /nfs/dbraw/zinc/01/54/68/204015468.db2.gz MUMKLVMJOFONTR-UHFFFAOYSA-N 1 2 361.445 4.292 1 0 FIAFLO CSc1cccc(NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000008599628 204336588 /nfs/dbraw/zinc/33/65/88/204336588.db2.gz GBGNEAPXYTYZSY-UHFFFAOYSA-N 1 2 366.490 4.140 1 0 FIAFLO O=C(c1cccc(F)c1)N1CCC2(CCC[N@@H+](c3ccccc3)C2)CC1 ZINC000003955821 132386103 /nfs/dbraw/zinc/38/61/03/132386103.db2.gz VPMFQDNKZGCWGQ-UHFFFAOYSA-N 1 2 352.453 4.349 1 0 FIAFLO O=C(c1cccc(F)c1)N1CCC2(CCC[N@H+](c3ccccc3)C2)CC1 ZINC000003955821 132386104 /nfs/dbraw/zinc/38/61/04/132386104.db2.gz VPMFQDNKZGCWGQ-UHFFFAOYSA-N 1 2 352.453 4.349 1 0 FIAFLO O=C(c1cc2c(c3ccccc13)NCC[NH+]=C2C(F)(F)F)C(F)(F)F ZINC000001658981 204016033 /nfs/dbraw/zinc/01/60/33/204016033.db2.gz OWVRHSXEAZMHNE-UHFFFAOYSA-N 1 2 360.257 4.362 1 0 FIAFLO CSc1ccc(C[N@@H+]2CC[C@@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000061925844 205289636 /nfs/dbraw/zinc/28/96/36/205289636.db2.gz LXODSPSAKYHCCS-IRLDBZIGSA-N 1 2 366.530 4.177 3 0 FIAFLO CSc1ccc(C[N@H+]2CC[C@@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000061925844 205289640 /nfs/dbraw/zinc/28/96/40/205289640.db2.gz LXODSPSAKYHCCS-IRLDBZIGSA-N 1 2 366.530 4.177 3 0 FIAFLO O=c1cc(Cn2cc[nH+]c2)c2ccc(Oc3cc(F)cc(F)c3)cc2o1 ZINC000066124332 205364125 /nfs/dbraw/zinc/36/41/25/205364125.db2.gz HWBAYCLQCSHWIO-UHFFFAOYSA-N 1 2 354.312 4.108 1 0 FIAFLO COc1cc(Cc2[nH+]ccc3cc(OC)c(OCCF)cc32)ccc1F ZINC000072106099 205467863 /nfs/dbraw/zinc/46/78/63/205467863.db2.gz LTWPFLBOMYAODM-UHFFFAOYSA-N 1 2 359.372 4.330 1 0 FIAFLO O=C(Nc1ccccc1)N[C@H]1CC[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169324223 206250624 /nfs/dbraw/zinc/25/06/24/206250624.db2.gz POAZDHDULAOKDH-JXFKEZNVSA-N 1 2 360.461 4.051 1 0 FIAFLO O=C(Nc1ccccc1)N[C@H]1CC[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169324223 206250625 /nfs/dbraw/zinc/25/06/25/206250625.db2.gz POAZDHDULAOKDH-JXFKEZNVSA-N 1 2 360.461 4.051 1 0 FIAFLO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CCC(C)CC3)cc12 ZINC000003649839 132385574 /nfs/dbraw/zinc/38/55/74/132385574.db2.gz COHPEUUUDGXEPG-UHFFFAOYSA-N 1 2 367.493 4.145 3 0 FIAFLO C[C@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)cc[nH+]1 ZINC000027525534 204864036 /nfs/dbraw/zinc/86/40/36/204864036.db2.gz KCXCFBQZWGUDQC-ZDUSSCGKSA-N 1 2 362.408 4.224 1 0 FIAFLO COc1cccc2c(NCCNc3cc[nH+]c4c(OC)cccc34)ccnc12 ZINC000045302923 205120308 /nfs/dbraw/zinc/12/03/08/205120308.db2.gz OBEXOFONJDJASX-UHFFFAOYSA-N 1 2 374.444 4.324 1 0 FIAFLO COc1cc(-c2c[nH+]c(N)c(-c3ccc(O)c(OC)c3)c2)cc(OC)c1C ZINC000045368231 205120826 /nfs/dbraw/zinc/12/08/26/205120826.db2.gz HCSPXZDQSICPRT-UHFFFAOYSA-N 1 2 366.417 4.038 1 0 FIAFLO CCO[C@@H](c1ccc(Cl)cc1)[C@@H](n1cc[nH+]c1)S(=O)(=O)C(C)(C)C ZINC000045365841 205120895 /nfs/dbraw/zinc/12/08/95/205120895.db2.gz LEBRSRSANYGCEZ-HOTGVXAUSA-N 1 2 370.902 4.026 1 0 FIAFLO C[NH+](C)c1ccc(-n2ccc3cc(I)ccc32)cc1 ZINC000053296883 205192442 /nfs/dbraw/zinc/19/24/42/205192442.db2.gz WFDBFEPOTQCDRZ-UHFFFAOYSA-N 1 2 362.214 4.301 1 0 FIAFLO O=S(=O)(c1ccccc1)n1cc(-c2cccc3[nH+]ccn32)c2ccccc21 ZINC000061904069 205288635 /nfs/dbraw/zinc/28/86/35/205288635.db2.gz YZHAGQWSQQDWQE-UHFFFAOYSA-N 1 2 373.437 4.193 3 0 FIAFLO CC(C)(C)Nc1nc(N2CCCc3ccccc32)nc(NC(C)(C)C)[nH+]1 ZINC000058608336 136131977 /nfs/dbraw/zinc/13/19/77/136131977.db2.gz NXFRQPXFLSBYSQ-UHFFFAOYSA-N 1 2 354.502 4.377 1 0 FIAFLO O=C(C[NH+]1CCCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21 ZINC000073163719 136149946 /nfs/dbraw/zinc/14/99/46/136149946.db2.gz WKYMGPHLAUGKGR-UHFFFAOYSA-N 1 2 373.909 4.460 1 0 FIAFLO O=C(C[NH+]1CCCCC1)NN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000073163716 136149968 /nfs/dbraw/zinc/14/99/68/136149968.db2.gz JQQPIOIJGXIPLF-UHFFFAOYSA-N 1 2 373.909 4.460 1 0 FIAFLO CCO[C@H](c1ccc(Cl)cc1)[C@H](n1cc[nH+]c1)S(=O)(=O)C(C)(C)C ZINC000045365850 205121147 /nfs/dbraw/zinc/12/11/47/205121147.db2.gz LEBRSRSANYGCEZ-HZPDHXFCSA-N 1 2 370.902 4.026 1 0 FIAFLO Cc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169322543 206250066 /nfs/dbraw/zinc/25/00/66/206250066.db2.gz WIRPOUBVJRCFEP-JTSKRJEESA-N 1 2 373.500 4.310 1 0 FIAFLO Cc1ccccc1C(=O)N(C)[C@H]1CC[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169322543 206250069 /nfs/dbraw/zinc/25/00/69/206250069.db2.gz WIRPOUBVJRCFEP-JTSKRJEESA-N 1 2 373.500 4.310 1 0 FIAFLO Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1-c1ccc(Cl)cc1 ZINC000072122913 136141980 /nfs/dbraw/zinc/14/19/80/136141980.db2.gz LBFJBVVULXJRNT-UHFFFAOYSA-N 1 2 353.857 4.008 1 0 FIAFLO Nc1nc(Nc2cc3c[nH]nc3c(-c3ccc4ccccc4c3)c2)cc[nH+]1 ZINC000045337612 208331985 /nfs/dbraw/zinc/33/19/85/208331985.db2.gz QFBSSUZRFADVOK-UHFFFAOYSA-N 1 2 352.401 4.499 1 0 FIAFLO Cc1nonc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045245744 208327974 /nfs/dbraw/zinc/32/79/74/208327974.db2.gz MALQOZUEYJBQGA-GOSISDBHSA-N 1 2 365.481 4.028 1 0 FIAFLO O=C(C[NH+]1CCCCC1)NN1c2ccccc2Sc2cccc(Cl)c21 ZINC000073163713 136149929 /nfs/dbraw/zinc/14/99/29/136149929.db2.gz KBZSFWLURQFJSH-UHFFFAOYSA-N 1 2 373.909 4.460 1 0 FIAFLO Nc1nccn2c1c(-c1ccc([C@@H](O)c3ccccc3)cc1)[nH+]c2C1CCC1 ZINC000095585609 209082259 /nfs/dbraw/zinc/08/22/59/209082259.db2.gz MHAAGGKKTADGMH-NRFANRHFSA-N 1 2 370.456 4.328 1 0 FIAFLO COc1ccc(-c2cc3[nH+]c4ccc(Br)cc4n3cn2)cc1 ZINC000103266966 209250847 /nfs/dbraw/zinc/25/08/47/209250847.db2.gz LXFDDRLDJDMVTP-UHFFFAOYSA-N 1 2 354.207 4.321 1 0 FIAFLO O=C1CC(c2cccc(-n3cc[nH+]c3)c2)=Nc2ccc(C(F)(F)F)cc2N1 ZINC000101151073 209221845 /nfs/dbraw/zinc/22/18/45/209221845.db2.gz JPQSCPHZJNQZLD-UHFFFAOYSA-N 1 2 370.334 4.354 1 0 FIAFLO CC(C)Nc1nc2sc3c(c2c(=O)s1)CC[N@@H+](Cc1ccccc1)C3 ZINC000013678173 220084211 /nfs/dbraw/zinc/08/42/11/220084211.db2.gz MHKXRENUVBFXSR-UHFFFAOYSA-N 1 2 371.531 4.097 1 0 FIAFLO CC(C)Nc1nc2sc3c(c2c(=O)s1)CC[N@H+](Cc1ccccc1)C3 ZINC000013678173 220084215 /nfs/dbraw/zinc/08/42/15/220084215.db2.gz MHKXRENUVBFXSR-UHFFFAOYSA-N 1 2 371.531 4.097 1 0 FIAFLO Cc1cc2[nH]c(CCN(C(=S)NCC(C)C)C3CCCC3)[nH+]c2cc1C ZINC000008672240 207241299 /nfs/dbraw/zinc/24/12/99/207241299.db2.gz PTYQBMUIBRXMOH-UHFFFAOYSA-N 1 2 372.582 4.497 3 0 FIAFLO COc1ccc(Cl)c(C[C@@H]2c3cc(O)c(Cl)cc3CC[N@H+]2C)c1 ZINC000045228785 208328373 /nfs/dbraw/zinc/32/83/73/208328373.db2.gz CIZJWUMBIRRKGW-QGZVFWFLSA-N 1 2 352.261 4.479 1 0 FIAFLO CC(C)(C)n1nc(-c2cccc(OCc3ccccc3)c2)c2c1nc[nH+]c2N ZINC000095582870 209081677 /nfs/dbraw/zinc/08/16/77/209081677.db2.gz VIRRZTDSKWFONP-UHFFFAOYSA-N 1 2 373.460 4.410 1 0 FIAFLO Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)[nH+]c1 ZINC000096272395 209148506 /nfs/dbraw/zinc/14/85/06/209148506.db2.gz UGTHQAXCCBBNQW-UHFFFAOYSA-N 1 2 358.389 4.013 1 0 FIAFLO CC(C)Nc1cc(-c2[nH]c(SCCO)nc2-c2ccc(F)cc2)cc[nH+]1 ZINC000040950523 208277222 /nfs/dbraw/zinc/27/72/22/208277222.db2.gz CBARWUOICURKFE-UHFFFAOYSA-N 1 2 372.469 4.183 1 0 FIAFLO Nc1nccn2c(C3CCC3)[nH+]c(-c3ccc(C(=O)c4ccccc4)cc3)c12 ZINC000095583630 209081594 /nfs/dbraw/zinc/08/15/94/209081594.db2.gz DHHWJYACGIPGPI-UHFFFAOYSA-N 1 2 368.440 4.477 1 0 FIAFLO CC(C)(C)C(=O)C[C@@H]1c2ccccc2[NH+]=C(n2cncn2)N1c1ccccc1 ZINC000103180992 534427943 /nfs/dbraw/zinc/42/79/43/534427943.db2.gz QVRONIKLCZDDLD-LJQANCHMSA-N 1 2 373.460 4.381 1 0 FIAFLO COc1ccc(C(=O)N2CCC3(CCC[N@@H+](c4ccccc4)C3)CC2)cc1 ZINC000003956000 536713925 /nfs/dbraw/zinc/71/39/25/536713925.db2.gz UZXXYCZKUBLBMO-UHFFFAOYSA-N 1 2 364.489 4.218 1 0 FIAFLO COc1ccc(C(=O)N2CCC3(CCC[N@H+](c4ccccc4)C3)CC2)cc1 ZINC000003956000 536713929 /nfs/dbraw/zinc/71/39/29/536713929.db2.gz UZXXYCZKUBLBMO-UHFFFAOYSA-N 1 2 364.489 4.218 1 0 FIAFLO S=C1Nc2sc3c(c2CN1CCCn1cc[nH+]c1)CCCCCC3 ZINC000045284477 208329352 /nfs/dbraw/zinc/32/93/52/208329352.db2.gz ZBOKQALXBQUHDC-UHFFFAOYSA-N 1 2 360.552 4.206 1 0 FIAFLO CCCc1[nH+]c2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 ZINC000072111073 208799966 /nfs/dbraw/zinc/79/99/66/208799966.db2.gz UNZCJBQTJXLUJK-UHFFFAOYSA-N 1 2 353.372 4.157 1 0 FIAFLO CC(C)(C)n1nc(Cc2cccc(Cl)c2Cl)c2c1nc[nH+]c2N ZINC000095585320 209081684 /nfs/dbraw/zinc/08/16/84/209081684.db2.gz OXDASQFBOLRAQY-UHFFFAOYSA-N 1 2 350.253 4.061 1 0 FIAFLO COc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)c[nH+]c2N)cn1 ZINC000095578011 209082782 /nfs/dbraw/zinc/08/27/82/209082782.db2.gz AXEKVPBUGPGISS-UHFFFAOYSA-N 1 2 361.323 4.300 1 0 FIAFLO O=S(=O)(Nc1cccc2ncccc21)c1ccc2[nH]c3cc[nH+]cc3c2c1 ZINC000102328226 209234699 /nfs/dbraw/zinc/23/46/99/209234699.db2.gz UHIJOOAMRRVCOP-UHFFFAOYSA-N 1 2 374.425 4.065 1 0 FIAFLO C[NH+](C)Cc1nccn1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000039416777 208210818 /nfs/dbraw/zinc/21/08/18/208210818.db2.gz GSKODPHPAKZVPO-UHFFFAOYSA-N 1 2 374.271 4.472 1 0 FIAFLO CC1(C)Oc2ccc(Cl)cc2[C@@H](n2cc[nH+]c2-c2ccccc2)[C@@H]1O ZINC000040394227 208251397 /nfs/dbraw/zinc/25/13/97/208251397.db2.gz YUWHIPMHJROMKH-MSOLQXFVSA-N 1 2 354.837 4.325 1 0 FIAFLO CN(c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)c1cc[nH+]c(N)n1 ZINC000045227622 208327144 /nfs/dbraw/zinc/32/71/44/208327144.db2.gz UPHJQAGUEYFQTH-UHFFFAOYSA-N 1 2 368.828 4.124 1 0 FIAFLO Oc1ccc(-c2nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)co2)cc1 ZINC000072181709 136143806 /nfs/dbraw/zinc/14/38/06/136143806.db2.gz AMHROMLOBCVZNM-UHFFFAOYSA-N 1 2 369.852 4.023 1 0 FIAFLO Cc1cccc(-c2nc(C[NH+]3CCN(c4ccc(F)cc4)CC3)co2)c1 ZINC000072185060 136143879 /nfs/dbraw/zinc/14/38/79/136143879.db2.gz OEASSRKFPJWUKO-UHFFFAOYSA-N 1 2 351.425 4.111 1 0 FIAFLO CC(C)(C)C(=O)C[C@H]1c2ccccc2[NH+]=C(n2cncn2)N1c1ccccc1 ZINC000103180994 534427887 /nfs/dbraw/zinc/42/78/87/534427887.db2.gz QVRONIKLCZDDLD-IBGZPJMESA-N 1 2 373.460 4.381 1 0 FIAFLO CCO[C@H](c1ccc(C(=O)OC)cc1)[C@@H](SC(C)(C)C)n1cc[nH+]c1 ZINC000045366134 208332447 /nfs/dbraw/zinc/33/24/47/208332447.db2.gz PFORGQXALRKXGD-IAGOWNOFSA-N 1 2 362.495 4.478 1 0 FIAFLO COc1ccc(Cl)c(C[C@H]2c3cc(O)c(Cl)cc3CC[N@H+]2C)c1 ZINC000045228782 208326489 /nfs/dbraw/zinc/32/64/89/208326489.db2.gz CIZJWUMBIRRKGW-KRWDZBQOSA-N 1 2 352.261 4.479 1 0 FIAFLO Cc1cccc(Cl)c1Nc1nc2ccc(N(C)C)nc2n2c[nH+]cc12 ZINC000013582033 581092810 /nfs/dbraw/zinc/09/28/10/581092810.db2.gz XBBOHYHLZBXYIV-UHFFFAOYSA-N 1 2 352.829 4.049 1 0 FIAFLO CCc1cc(-c2cnnc3cc(OC)c(OC)cc32)c[nH+]c1NC(C)C ZINC000043203430 208303722 /nfs/dbraw/zinc/30/37/22/208303722.db2.gz PNGQBTHQZFCYOQ-UHFFFAOYSA-N 1 2 352.438 4.092 1 0 FIAFLO CCO[C@H](c1ccc(Cl)cc1)[C@@H](n1cc[nH+]c1)[S@](=O)C(C)(C)C ZINC000102001271 209232205 /nfs/dbraw/zinc/23/22/05/209232205.db2.gz GOSHMJDRYBNRAC-VBURHUQHSA-N 1 2 354.903 4.360 1 0 FIAFLO C=Cc1cc(-c2cnnc3cc(OC)c(OC)cc32)c[nH+]c1NC(C)C ZINC000043203432 208303036 /nfs/dbraw/zinc/30/30/36/208303036.db2.gz CZGZUWDZJBXCBD-UHFFFAOYSA-N 1 2 350.422 4.172 1 0 FIAFLO COc1ccc(CNc2[nH+]ccc3ccc(-c4ccc(N)nc4)cc32)cc1 ZINC000045338637 208331105 /nfs/dbraw/zinc/33/11/05/208331105.db2.gz AUXUNSUBCXRQOL-UHFFFAOYSA-N 1 2 356.429 4.500 1 0 FIAFLO CCO[C@H](c1ccc2c(c1)OCCO2)[C@@H](SC(C)(C)C)n1cc[nH+]c1 ZINC000045365269 208331365 /nfs/dbraw/zinc/33/13/65/208331365.db2.gz CAUHKDAIFSLMRU-QZTJIDSGSA-N 1 2 362.495 4.462 1 0 FIAFLO COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1-n1c[nH+]c(C)c1 ZINC000095558647 209080052 /nfs/dbraw/zinc/08/00/52/209080052.db2.gz LUWKNOZCOHZTLD-APSNUPSMSA-N 1 2 365.820 4.335 1 0 FIAFLO C[C@@H](c1[nH]c2ccccc2[nH+]1)n1c2ccccc2nc(-c2ccco2)c1=O ZINC000095566571 209080723 /nfs/dbraw/zinc/08/07/23/209080723.db2.gz FWFPEWOIFMONTB-ZDUSSCGKSA-N 1 2 356.385 4.142 3 0 FIAFLO CC(C)n1c2ccccc2n(CCOc2ccc(Br)cc2)c1=[NH2+] ZINC000102999133 222317585 /nfs/dbraw/zinc/31/75/85/222317585.db2.gz NUKYBBJVCJEYJC-UHFFFAOYSA-N 1 2 374.282 4.345 1 0 FIAFLO Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000014975837 211110157 /nfs/dbraw/zinc/11/01/57/211110157.db2.gz KHIQQNMDIZNDBU-UHFFFAOYSA-N 1 2 368.521 4.147 1 0 FIAFLO CCC(CC)Nc1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000013583139 211040780 /nfs/dbraw/zinc/04/07/80/211040780.db2.gz QXLPFHJBVAVMOL-UHFFFAOYSA-N 1 2 366.513 4.383 1 0 FIAFLO CC(C)=CC[N@H+]1Cc2ccc(Br)c3[nH]c(=S)n(c32)C[C@@H]1C ZINC000013474556 211035103 /nfs/dbraw/zinc/03/51/03/211035103.db2.gz DJSIOKGFGXTSPC-NSHDSACASA-N 1 2 366.328 4.258 1 0 FIAFLO CC(C)=CC[N@@H+]1Cc2ccc(Br)c3[nH]c(=S)n(c32)C[C@@H]1C ZINC000013474556 211035108 /nfs/dbraw/zinc/03/51/08/211035108.db2.gz DJSIOKGFGXTSPC-NSHDSACASA-N 1 2 366.328 4.258 1 0 FIAFLO Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](C)[C@@H]2N3C)c1C ZINC000013470190 211034772 /nfs/dbraw/zinc/03/47/72/211034772.db2.gz UHTNKHARCXSTEU-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](C)[C@@H]2N3C)c1C ZINC000013470190 211034775 /nfs/dbraw/zinc/03/47/75/211034775.db2.gz UHTNKHARCXSTEU-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](C)[C@@H]2N3C)cc1C ZINC000013470195 211034170 /nfs/dbraw/zinc/03/41/70/211034170.db2.gz ZNMNCVVGCVWVBQ-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](C)[C@@H]2N3C)cc1C ZINC000013470195 211034166 /nfs/dbraw/zinc/03/41/66/211034166.db2.gz ZNMNCVVGCVWVBQ-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1ccc(C)c(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](C)[C@@H]2N3C)c1 ZINC000013470192 211033754 /nfs/dbraw/zinc/03/37/54/211033754.db2.gz CVZBWJAXPTZWBP-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1ccc(C)c(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](C)[C@@H]2N3C)c1 ZINC000013470192 211033757 /nfs/dbraw/zinc/03/37/57/211033757.db2.gz CVZBWJAXPTZWBP-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO O=c1cc(Cn2cc[nH+]c2)c2ccc(OCc3ccc(Cl)cc3)cc2o1 ZINC000066122811 221241521 /nfs/dbraw/zinc/24/15/21/221241521.db2.gz ZFELUXBLPCVFBV-UHFFFAOYSA-N 1 2 366.804 4.270 1 0 FIAFLO O=c1c2ccccc2c(C(=S)Nc2cccc3ccccc32)c2n1CC[NH2+]2 ZINC000101547875 222277533 /nfs/dbraw/zinc/27/75/33/222277533.db2.gz FWJHAGYPRBJRCR-UHFFFAOYSA-N 1 2 371.465 4.368 1 0 FIAFLO Cc1ccc(-c2nc(C[N@H+](Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)o1 ZINC000011874044 210101596 /nfs/dbraw/zinc/10/15/96/210101596.db2.gz LOJSURQQIVTLNL-UHFFFAOYSA-N 1 2 356.470 4.312 3 0 FIAFLO Cc1ccc(-c2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)o1 ZINC000011874044 210101600 /nfs/dbraw/zinc/10/16/00/210101600.db2.gz LOJSURQQIVTLNL-UHFFFAOYSA-N 1 2 356.470 4.312 3 0 FIAFLO CSc1ccc(C[N@@H+]2CC[C@@]2(C)C(=O)Nc2ccc(C)c(O)c2)cc1 ZINC000061926559 212028745 /nfs/dbraw/zinc/02/87/45/212028745.db2.gz KBWQMMQXSWEXBU-FQEVSTJZSA-N 1 2 356.491 4.026 3 0 FIAFLO CSc1ccc(C[N@H+]2CC[C@@]2(C)C(=O)Nc2ccc(C)c(O)c2)cc1 ZINC000061926559 212028747 /nfs/dbraw/zinc/02/87/47/212028747.db2.gz KBWQMMQXSWEXBU-FQEVSTJZSA-N 1 2 356.491 4.026 3 0 FIAFLO Clc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)[C@H]2n2cc[nH+]c2)cc1 ZINC000040380435 211741289 /nfs/dbraw/zinc/74/12/89/211741289.db2.gz QOOVSOKVOXFZNX-SJLPKXTDSA-N 1 2 357.244 4.480 1 0 FIAFLO Nc1nc2c(c(NCC3CCCCC3)[nH+]1)N[C@H](c1ccc(Cl)cc1)CN2 ZINC000013474494 211036363 /nfs/dbraw/zinc/03/63/63/211036363.db2.gz RQCRZQBYIWDMKJ-HNNXBMFYSA-N 1 2 372.904 4.283 1 0 FIAFLO Nc1nc(NCC2CCCCC2)c2c([nH+]1)NC[C@@H](c1ccc(Cl)cc1)N2 ZINC000013474494 211036364 /nfs/dbraw/zinc/03/63/64/211036364.db2.gz RQCRZQBYIWDMKJ-HNNXBMFYSA-N 1 2 372.904 4.283 1 0 FIAFLO Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](C)[C@@H]2N3C)c(C)c1 ZINC000013470191 211034427 /nfs/dbraw/zinc/03/44/27/211034427.db2.gz RQHQYLYBYIHRCT-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](C)[C@@H]2N3C)c(C)c1 ZINC000013470191 211034430 /nfs/dbraw/zinc/03/44/30/211034430.db2.gz RQHQYLYBYIHRCT-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1cc2nc(-c3ccoc3)n(-c3ccc4c(N)nc(N)[nH+]c4c3)c2cc1C ZINC000103249571 222328828 /nfs/dbraw/zinc/32/88/28/222328828.db2.gz KAWYXCRRDRVXKM-UHFFFAOYSA-N 1 2 370.416 4.010 1 0 FIAFLO COc1ccc(Nc2c(C(N)=O)c[nH+]c3cc(-c4ccncc4)ccc32)cc1 ZINC000028959755 211502724 /nfs/dbraw/zinc/50/27/24/211502724.db2.gz FEJHAAZUNGXWER-UHFFFAOYSA-N 1 2 370.412 4.148 1 0 FIAFLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000103267922 132237147 /nfs/dbraw/zinc/23/71/47/132237147.db2.gz MEQSYHAOFHYCDE-UHFFFAOYSA-N 1 2 374.459 4.498 1 0 FIAFLO Cc1nc(CCc2[nH+]c3cc(C)ccc3n2-c2ccccc2)n2cccnc12 ZINC000098209601 222230700 /nfs/dbraw/zinc/23/07/00/222230700.db2.gz VOYXDWSUNQJWTO-UHFFFAOYSA-N 1 2 367.456 4.470 1 0 in-vitro FIAFLO CN1O[C@H](c2ccccc2)C[C@@]1(Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000026146529 210242310 /nfs/dbraw/zinc/24/23/10/210242310.db2.gz BBNVZZVNBCNJEY-VQTJNVASSA-N 1 2 353.853 4.440 1 0 FIAFLO COc1ccc2c(c1)oc(=O)c1c2CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000013764638 211057707 /nfs/dbraw/zinc/05/77/07/211057707.db2.gz MMTKBQGOVDOJAE-UHFFFAOYSA-N 1 2 355.821 4.013 1 0 FIAFLO COc1ccc2c(c1)oc(=O)c1c2CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000013764638 211057710 /nfs/dbraw/zinc/05/77/10/211057710.db2.gz MMTKBQGOVDOJAE-UHFFFAOYSA-N 1 2 355.821 4.013 1 0 FIAFLO O[C@](Cn1cc[nH+]c1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 ZINC000013650899 211045963 /nfs/dbraw/zinc/04/59/63/211045963.db2.gz DZGMNXWTQWGZTK-QFIPXVFZSA-N 1 2 359.404 4.020 1 0 FIAFLO COC(=O)C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000072182931 221450639 /nfs/dbraw/zinc/45/06/39/221450639.db2.gz VXVLKFXYXKBBKH-UHFFFAOYSA-N 1 2 369.248 4.033 1 0 FIAFLO Cc1ccc(Nc2c[nH+]ccc2NS(=O)(=O)C(F)(F)F)cc1Cl ZINC000103266650 222330896 /nfs/dbraw/zinc/33/08/96/222330896.db2.gz WYVGTVJHYRLPIO-UHFFFAOYSA-N 1 2 365.764 4.049 1 0 FIAFLO C[C@]1(C(=O)Nc2cnc3ccccc3c2)CC[N@@H+]1Cc1ccccc1Cl ZINC000061903477 212026919 /nfs/dbraw/zinc/02/69/19/212026919.db2.gz BELZNYVOGURZNB-OAQYLSRUSA-N 1 2 365.864 4.491 3 0 FIAFLO C[C@]1(C(=O)Nc2cnc3ccccc3c2)CC[N@H+]1Cc1ccccc1Cl ZINC000061903477 212026922 /nfs/dbraw/zinc/02/69/22/212026922.db2.gz BELZNYVOGURZNB-OAQYLSRUSA-N 1 2 365.864 4.491 3 0 FIAFLO Cc1cc(C)cc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](C)[C@@H]2N3C)c1 ZINC000013470196 211033794 /nfs/dbraw/zinc/03/37/94/211033794.db2.gz MMFNDUBHUKJLAW-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO Cc1cc(C)cc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](C)[C@@H]2N3C)c1 ZINC000013470196 211033797 /nfs/dbraw/zinc/03/37/97/211033797.db2.gz MMFNDUBHUKJLAW-IRLDBZIGSA-N 1 2 365.477 4.283 1 0 FIAFLO COc1ccc2c(c1)C[C@@H]1c3c(ccc(Br)c3CC[N@H+]1C)O2 ZINC000013805126 211060290 /nfs/dbraw/zinc/06/02/90/211060290.db2.gz PUNAIHMZORVACK-OAHLLOKOSA-N 1 2 360.251 4.335 1 0 FIAFLO COc1ccc2c(c1)C[C@@H]1c3c(ccc(Br)c3CC[N@@H+]1C)O2 ZINC000013805126 211060293 /nfs/dbraw/zinc/06/02/93/211060293.db2.gz PUNAIHMZORVACK-OAHLLOKOSA-N 1 2 360.251 4.335 1 0 FIAFLO Cc1cc2nc(-c3ccco3)n(-c3ccc4c(N)nc(N)[nH+]c4c3)c2cc1C ZINC000103249567 222329489 /nfs/dbraw/zinc/32/94/89/222329489.db2.gz QSAANSVYWZHQKA-UHFFFAOYSA-N 1 2 370.416 4.010 1 0 FIAFLO CCO[C@H](c1ccc(Cl)cc1)[C@H](n1cc[nH+]c1)[S@](=O)C(C)(C)C ZINC000102001280 222288627 /nfs/dbraw/zinc/28/86/27/222288627.db2.gz GOSHMJDRYBNRAC-CKNGIIGNSA-N 1 2 354.903 4.360 1 0 FIAFLO Cc1cn(-c2cccc(Nc3ncnc4c3CCc3ccccc3-4)c2)c[nH+]1 ZINC000000593410 210249760 /nfs/dbraw/zinc/24/97/60/210249760.db2.gz LFKNMCJSJZOQJF-UHFFFAOYSA-N 1 2 353.429 4.480 1 0 in-vitro FIAFLO Cc1ccc([C@H]2CO[C@@](Cn3cc[nH+]c3)(c3ccc(Cl)cc3)O2)cc1 ZINC000028766074 220583641 /nfs/dbraw/zinc/58/36/41/220583641.db2.gz KKNGDXTXRQOVRK-WOJBJXKFSA-N 1 2 354.837 4.486 1 0 FIAFLO Nc1[nH+]cnc2c1N=C1c3ccccc3CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000053242829 221043442 /nfs/dbraw/zinc/04/34/42/221043442.db2.gz IPFCUCSXQMBYRG-IAGOWNOFSA-N 1 2 359.408 4.048 1 0 FIAFLO O=C(Nc1nc2ccccc2n2c[nH+]cc12)c1c(Cl)cccc1Cl ZINC000013441467 220067587 /nfs/dbraw/zinc/06/75/87/220067587.db2.gz HZHKHCJSNXPZKT-UHFFFAOYSA-N 1 2 357.200 4.442 1 0 FIAFLO O=S(=O)(Nc1cc(Cl)cc2c3cc[nH+]cc3[nH]c21)c1ccccc1 ZINC000013535913 220072625 /nfs/dbraw/zinc/07/26/25/220072625.db2.gz FYYSYFOJZPFEJJ-UHFFFAOYSA-N 1 2 357.822 4.170 1 0 FIAFLO Nc1[nH+]cnc2c1N=C1c3ccccc3CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000053242833 221043403 /nfs/dbraw/zinc/04/34/03/221043403.db2.gz IPFCUCSXQMBYRG-SJORKVTESA-N 1 2 359.408 4.048 1 0 FIAFLO O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2CSC[N@@H+]2[C@@H]2COc3ccccc3[C@H]12 ZINC000064549632 221147751 /nfs/dbraw/zinc/14/77/51/221147751.db2.gz KDCQCGGUCBRGEZ-FPAYPSAMSA-N 1 2 371.889 4.072 1 0 FIAFLO O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2CSC[N@H+]2[C@@H]2COc3ccccc3[C@H]12 ZINC000064549632 221147753 /nfs/dbraw/zinc/14/77/53/221147753.db2.gz KDCQCGGUCBRGEZ-FPAYPSAMSA-N 1 2 371.889 4.072 1 0 FIAFLO C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CC[N@@H+]1Cc1ccccc1Cl ZINC000061903478 221135438 /nfs/dbraw/zinc/13/54/38/221135438.db2.gz BELZNYVOGURZNB-NRFANRHFSA-N 1 2 365.864 4.491 3 0 FIAFLO C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CC[N@H+]1Cc1ccccc1Cl ZINC000061903478 221135440 /nfs/dbraw/zinc/13/54/40/221135440.db2.gz BELZNYVOGURZNB-NRFANRHFSA-N 1 2 365.864 4.491 3 0 FIAFLO O=c1cc(Cn2cc[nH+]c2)c2ccc(Oc3cccc(Cl)c3)cc2o1 ZINC000066102874 221240969 /nfs/dbraw/zinc/24/09/69/221240969.db2.gz FKPNHEVYNWYAOD-UHFFFAOYSA-N 1 2 352.777 4.484 1 0 FIAFLO Cc1ccc2c(c1)[nH+]c(CCc1ncc3cccnn31)n2-c1ccccc1 ZINC000098209602 222230146 /nfs/dbraw/zinc/23/01/46/222230146.db2.gz UVMQXAHTUGJOHF-UHFFFAOYSA-N 1 2 353.429 4.162 1 0 in-vitro FIAFLO Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N)[nH+]cn1 ZINC000034789918 581091976 /nfs/dbraw/zinc/09/19/76/581091976.db2.gz KCFYRZYFGXYNKV-UHFFFAOYSA-N 1 2 350.813 4.103 1 0 FIAFLO Cc1cccc(Cl)c1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000034789918 581091977 /nfs/dbraw/zinc/09/19/77/581091977.db2.gz KCFYRZYFGXYNKV-UHFFFAOYSA-N 1 2 350.813 4.103 1 0 FIAFLO C[C@@H]1Cc2c3ccc(Cl)cc3[nH]c2[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000049793620 221027511 /nfs/dbraw/zinc/02/75/11/221027511.db2.gz TZIGXNATHZDTPE-HOGDKLEQSA-N 1 2 372.255 4.205 1 0 FIAFLO O=c1cc(Cn2cc[nH+]c2)c2ccc(Oc3ccc(Cl)cc3)cc2o1 ZINC000066111624 221241482 /nfs/dbraw/zinc/24/14/82/221241482.db2.gz SMXDRHMBJXRNSL-UHFFFAOYSA-N 1 2 352.777 4.484 1 0 FIAFLO Cc1nn2c(nc(C)cc2N[C@@H](C)C(C)C)c1-c1c[nH+]c(N(C)C)cc1C ZINC000013583133 220076793 /nfs/dbraw/zinc/07/67/93/220076793.db2.gz FZJJTUZXWPHQFO-HNNXBMFYSA-N 1 2 366.513 4.239 1 0 FIAFLO CN1c2ccc(OC(=O)Nc3ccc(Cl)cc3)cc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000013605101 220078087 /nfs/dbraw/zinc/07/80/87/220078087.db2.gz FAEIGAUSWCZPCA-QUCCMNQESA-N 1 2 371.868 4.320 1 0 FIAFLO CN1c2ccc(OC(=O)Nc3ccc(Cl)cc3)cc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000013605101 220078088 /nfs/dbraw/zinc/07/80/88/220078088.db2.gz FAEIGAUSWCZPCA-QUCCMNQESA-N 1 2 371.868 4.320 1 0 FIAFLO COc1ccc(Cc2[nH+]ccc3cc(OCCF)c(OC)cc32)cc1C ZINC000072104705 221405784 /nfs/dbraw/zinc/40/57/84/221405784.db2.gz PGWLSDVVCCFQDK-UHFFFAOYSA-N 1 2 355.409 4.500 1 0 FIAFLO Nc1[nH+]cnc2c1c(-c1ccc3ccccc3c1)nn2CCc1ccccc1 ZINC000064531903 221148195 /nfs/dbraw/zinc/14/81/95/221148195.db2.gz YFPORDWIOKIJNS-UHFFFAOYSA-N 1 2 365.440 4.471 1 0 FIAFLO CC(C)n1nc(-c2cccc(OCc3ccccc3)c2)c2c1nc[nH+]c2N ZINC000071294852 221340670 /nfs/dbraw/zinc/34/06/70/221340670.db2.gz QPYWOYUABRRJOD-UHFFFAOYSA-N 1 2 359.433 4.235 1 0 FIAFLO COc1cc(-n2c[nH+]cc2-c2ccc3c(ccn3C)c2)cc(OC)c1OC ZINC000013473117 220068121 /nfs/dbraw/zinc/06/81/21/220068121.db2.gz IATHJPSSIWGXEY-UHFFFAOYSA-N 1 2 363.417 4.057 1 0 FIAFLO O=c1cc(Cn2cc[nH+]c2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1 ZINC000066102872 221241452 /nfs/dbraw/zinc/24/14/52/221241452.db2.gz HUXMMWKRIINTDW-UHFFFAOYSA-N 1 2 354.312 4.108 1 0 FIAFLO Cc1nc2sccn2c1-c1csc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC000103263277 222329035 /nfs/dbraw/zinc/32/90/35/222329035.db2.gz XSAVJZHRGLMFMA-UHFFFAOYSA-N 1 2 356.480 4.032 1 0 FIAFLO O[C@@](Cn1cc[nH+]c1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 ZINC000000599401 219304615 /nfs/dbraw/zinc/30/46/15/219304615.db2.gz DZGMNXWTQWGZTK-JOCHJYFZSA-N 1 2 359.404 4.020 1 0 FIAFLO O[C@](Cn1cc[nH+]c1)(c1ccc(F)cc1)c1cccc(-c2ccncc2)c1 ZINC000013892869 220098079 /nfs/dbraw/zinc/09/80/79/220098079.db2.gz NUNXWFKSFWEVCT-JOCHJYFZSA-N 1 2 359.404 4.020 1 0 FIAFLO Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2[nH+]1 ZINC000043015280 220943293 /nfs/dbraw/zinc/94/32/93/220943293.db2.gz RWOSYWBJWNWJKX-UHFFFAOYSA-N 1 2 356.433 4.005 1 0 FIAFLO Cc1ccc(C)c(N2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)c1 ZINC000072185288 136143787 /nfs/dbraw/zinc/14/37/87/136143787.db2.gz VBRHDQDTVRICHT-UHFFFAOYSA-N 1 2 365.452 4.420 1 0 FIAFLO Clc1ccc2c(c1)S[C@H](Cn1cc[nH+]c1)[C@@H]2OCc1cscn1 ZINC000013775816 220093680 /nfs/dbraw/zinc/09/36/80/220093680.db2.gz KWPXSKNHWQZFNB-HZPDHXFCSA-N 1 2 363.895 4.425 1 0 FIAFLO Cc1cc2c3ccccc3nc(CCc3[nH+]c(-c4ccccc4)cn3C)n2n1 ZINC000066260079 221244185 /nfs/dbraw/zinc/24/41/85/221244185.db2.gz JTZGSTGVCPECEB-UHFFFAOYSA-N 1 2 367.456 4.377 1 0 FIAFLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc(F)cc2Cl)cs1 ZINC000103219408 222326062 /nfs/dbraw/zinc/32/60/62/222326062.db2.gz RBVSQVZHECBSBX-UHFFFAOYSA-N 1 2 353.850 4.027 1 0 FIAFLO Nc1nc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)cc[nH+]1 ZINC000045339421 581098431 /nfs/dbraw/zinc/09/84/31/581098431.db2.gz IZXPFVIQVFQGBQ-UHFFFAOYSA-N 1 2 352.401 4.499 1 0 FIAFLO