smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC(=O)Nc2ccc(-c3csc4[nH+]c(N)nc(N)c34)cc2)c1 ZINC000063298236 205185576 /nfs/dbraw/zinc/18/55/76/205185576.db2.gz RAPYFGJGASETOS-UHFFFAOYSA-N 1 2 390.472 4.475 1 0 GIAFLO CCN(CC(F)F)c1[nH+]cc(-c2cnnc3cc(OC)c(OC)cc32)cc1C ZINC000084690537 205398999 /nfs/dbraw/zinc/39/89/99/205398999.db2.gz DBYKYMVVCSQQOF-UHFFFAOYSA-N 1 2 388.418 4.109 1 0 GIAFLO CCCCCCC1=NO[C@@H]([C@H](c2cc[nH]c2)[N@H+](C)[C@H](C(=O)OC)C(C)C)C1 ZINC000073258079 222268978 /nfs/dbraw/zinc/26/89/78/222268978.db2.gz YRPLDGBUZAZOCH-AABGKKOBSA-N 1 2 377.529 4.301 1 0 GIAFLO CCCCCCC1=NO[C@@H]([C@H](c2cc[nH]c2)[N@@H+](C)[C@H](C(=O)OC)C(C)C)C1 ZINC000073258079 222268982 /nfs/dbraw/zinc/26/89/82/222268982.db2.gz YRPLDGBUZAZOCH-AABGKKOBSA-N 1 2 377.529 4.301 1 0 GIAFLO Cc1cccc(Cl)c1Nc1nc2ccc(-n3cc[nH+]c3)nc2n2cncc12 ZINC000013582039 581092835 /nfs/dbraw/zinc/09/28/35/581092835.db2.gz RRUGJJKTKNIVTP-UHFFFAOYSA-N 1 2 375.823 4.169 1 0 GIAFLO Fc1ccc(Cn2c3ccccc3nc2N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000043063219 205082367 /nfs/dbraw/zinc/08/23/67/205082367.db2.gz ZQXPNWSXFWKXRZ-UHFFFAOYSA-N 1 2 375.451 4.262 1 0 GIAFLO C[N@@H+]1C/C=C/CC(=O)Nc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000073200073 205356306 /nfs/dbraw/zinc/35/63/06/205356306.db2.gz FWMQFPCUIRCJLI-NSCUHMNNSA-N 1 2 385.471 4.217 1 0 GIAFLO C[N@H+]1C/C=C/CC(=O)Nc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000073200073 205356309 /nfs/dbraw/zinc/35/63/09/205356309.db2.gz FWMQFPCUIRCJLI-NSCUHMNNSA-N 1 2 385.471 4.217 1 0 GIAFLO Cc1ccc(-c2c[nH]c(Nc3cc(-c4ccc(C)cc4)n(C(N)=S)n3)[nH+]2)cc1 ZINC000169350086 205830516 /nfs/dbraw/zinc/83/05/16/205830516.db2.gz UASKPSOLHSVXCU-UHFFFAOYSA-N 1 2 388.500 4.392 1 0 GIAFLO COc1cc2[nH+]cc(C(N)=O)c(Nc3cc(Cl)cc(Cl)c3)c2cc1OC ZINC000040935608 205075977 /nfs/dbraw/zinc/07/59/77/205075977.db2.gz LXDSESRXFCMAFN-UHFFFAOYSA-N 1 2 392.242 4.401 1 0 GIAFLO CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000071317520 222179786 /nfs/dbraw/zinc/17/97/86/222179786.db2.gz UWPNKBCSKDRBJI-ZFGGDYGUSA-N 1 2 387.483 4.193 1 0 GIAFLO c1ccc2c(c1)C=C([C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCC1)CO2 ZINC000057613746 205159838 /nfs/dbraw/zinc/15/98/38/205159838.db2.gz AFGGQOIKESIMPW-OAQYLSRUSA-N 1 2 379.508 4.181 3 0 GIAFLO CS(=O)(=O)c1ccc(-c2c[nH+]c(N)c(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000072315811 205324828 /nfs/dbraw/zinc/32/48/28/205324828.db2.gz XOWVXIRCAYYBIV-UHFFFAOYSA-N 1 2 392.402 4.420 1 0 GIAFLO c1cnc2ccc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000004230591 204032749 /nfs/dbraw/zinc/03/27/49/204032749.db2.gz OLBARNXCIIDMBQ-OAQYLSRUSA-N 1 2 376.508 4.302 3 0 GIAFLO c1c(C[NH+]2CCN(c3ccccn3)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000013491646 204491302 /nfs/dbraw/zinc/49/13/02/204491302.db2.gz YATVHWPPUPOJPS-UHFFFAOYSA-N 1 2 395.510 4.257 1 0 GIAFLO Cc1nc(C)c(C[NH+]2CCN(Cc3ccc(Cl)cc3Cl)CC2)nc1C ZINC000084394821 205394673 /nfs/dbraw/zinc/39/46/73/205394673.db2.gz IYUNLSHWFGXZQK-UHFFFAOYSA-N 1 2 379.335 4.026 1 0 GIAFLO [NH2+]=C1N[C@@](c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21 ZINC000095577641 205501868 /nfs/dbraw/zinc/50/18/68/205501868.db2.gz HLWMPHXAKRXVIS-DEOSSOPVSA-N 1 2 398.416 4.433 1 0 GIAFLO COc1ccc(Nc2c(-c3ccc(S(C)(=O)=O)cc3)[nH+]c3ccccn32)cc1 ZINC000040401382 205063951 /nfs/dbraw/zinc/06/39/51/205063951.db2.gz UNTASYNLOXJHRQ-UHFFFAOYSA-N 1 2 393.468 4.157 1 0 GIAFLO Cc1nc2cc(-c3cc(-c4ccc(S(C)(=O)=O)cc4)c[nH+]c3N)ccc2s1 ZINC000084707667 205398935 /nfs/dbraw/zinc/39/89/35/205398935.db2.gz ZJTXTUXHHBDBKQ-UHFFFAOYSA-N 1 2 395.509 4.319 1 0 GIAFLO CC(C)(O)[C@@H]1CCCN(c2cc(NC(C)(C)c3ccc(Cl)cc3)[nH+]cn2)C1 ZINC000073199026 136171521 /nfs/dbraw/zinc/17/15/21/136171521.db2.gz SXMWPVLVJRMRDN-MRXNPFEDSA-N 1 2 388.943 4.465 1 0 GIAFLO CC(C)(O)[C@@H]1CCCN(c2cc(NC(C)(C)c3ccc(Cl)cc3)nc[nH+]2)C1 ZINC000073199026 136171522 /nfs/dbraw/zinc/17/15/22/136171522.db2.gz SXMWPVLVJRMRDN-MRXNPFEDSA-N 1 2 388.943 4.465 1 0 GIAFLO O=C1N(Cc2cc3ccccc3s2)C[C@@H]2C[N@H+](Cc3ccsc3)CCN12 ZINC000045372037 205095299 /nfs/dbraw/zinc/09/52/99/205095299.db2.gz FUFYDOFZRWWSBZ-KRWDZBQOSA-N 1 2 383.542 4.085 1 0 GIAFLO O=C1N(Cc2cc3ccccc3s2)C[C@@H]2C[N@@H+](Cc3ccsc3)CCN12 ZINC000045372037 205095304 /nfs/dbraw/zinc/09/53/04/205095304.db2.gz FUFYDOFZRWWSBZ-KRWDZBQOSA-N 1 2 383.542 4.085 1 0 GIAFLO OCCN1CC[NH+]([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)c3ccccc32)CC1 ZINC000028088577 204866633 /nfs/dbraw/zinc/86/66/33/204866633.db2.gz MURQASUUFILVAE-CTNGQTDRSA-N 1 2 391.342 4.180 1 0 GIAFLO O=C(C[NH+]1CCCC1)Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000049068957 205125153 /nfs/dbraw/zinc/12/51/53/205125153.db2.gz TURBNQICVXMJGS-UHFFFAOYSA-N 1 2 388.393 4.283 1 0 GIAFLO Cc1[nH+]ccc2c3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)O4)C5(C)C)cc3[nH]c21 ZINC000006520693 206654120 /nfs/dbraw/zinc/65/41/20/206654120.db2.gz SHFXXVQXMDMYSM-YADHBBJMSA-N 1 2 378.428 4.052 1 0 GIAFLO COc1ccc(CNc2cc(C)[nH+]c3sc4c(c32)CCC2(C4)OCCO2)cc1 ZINC000045189461 207650808 /nfs/dbraw/zinc/65/08/08/207650808.db2.gz FHJUKXFTGIHGEQ-UHFFFAOYSA-N 1 2 396.512 4.457 1 0 GIAFLO C[C@@]1(O)C[C@H](c2[nH+]c(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 ZINC000100618686 208378629 /nfs/dbraw/zinc/37/86/29/208378629.db2.gz HSWGURQVLUMRPB-PAVFIEEWSA-N 1 2 386.455 4.399 1 0 GIAFLO CC[N@@H+]1CCN(CCOc2ccccc2)[C@@H]2CCn3c4ccccc4c(C)c3[C@@H]21 ZINC000027305245 207324221 /nfs/dbraw/zinc/32/42/21/207324221.db2.gz DQXJJEZPKISUDR-ILBGXUMGSA-N 1 2 389.543 4.480 1 0 GIAFLO CC[N@H+]1CCN(CCOc2ccccc2)[C@@H]2CCn3c4ccccc4c(C)c3[C@@H]21 ZINC000027305245 207324225 /nfs/dbraw/zinc/32/42/25/207324225.db2.gz DQXJJEZPKISUDR-ILBGXUMGSA-N 1 2 389.543 4.480 1 0 GIAFLO CC(=O)n1c2ccc(C(=O)N3CCC(C)CC3)cc2c2c1C[N@H+](C1CCCC1)C2 ZINC000028955259 207351422 /nfs/dbraw/zinc/35/14/22/207351422.db2.gz BLMFCUBJOMEWGH-UHFFFAOYSA-N 1 2 393.531 4.432 1 0 GIAFLO CC(=O)n1c2ccc(C(=O)N3CCC(C)CC3)cc2c2c1C[N@@H+](C1CCCC1)C2 ZINC000028955259 207351426 /nfs/dbraw/zinc/35/14/26/207351426.db2.gz BLMFCUBJOMEWGH-UHFFFAOYSA-N 1 2 393.531 4.432 1 0 GIAFLO NC(=O)c1c[nH+]c2cc(-c3ccncc3)ccc2c1Nc1ccc(F)c(F)c1 ZINC000028959789 207352473 /nfs/dbraw/zinc/35/24/73/207352473.db2.gz VLKNXMVJPAISFY-UHFFFAOYSA-N 1 2 376.366 4.418 1 0 GIAFLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCCC3)[C@@H]2C)OCO4)c1O ZINC000031861159 207387447 /nfs/dbraw/zinc/38/74/47/207387447.db2.gz NTGCRYUQXNVBHI-ZGFCVWDJSA-N 1 2 397.471 4.102 1 0 GIAFLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCCC3)[C@H]2C)OCO4)c1O ZINC000031861163 207387803 /nfs/dbraw/zinc/38/78/03/207387803.db2.gz NTGCRYUQXNVBHI-BKAZIGDYSA-N 1 2 397.471 4.102 1 0 GIAFLO CS(=O)(=O)c1ccc(-c2c[nH+]c(N)c(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000084724375 208098118 /nfs/dbraw/zinc/09/81/18/208098118.db2.gz NJNPOYRKVLVZCM-UHFFFAOYSA-N 1 2 392.402 4.420 1 0 GIAFLO CC(=O)c1ccc([C@@](O)(Cn2cc[nH+]c2)c2ccc(-c3ccncc3)cc2)cc1 ZINC000026847878 207320067 /nfs/dbraw/zinc/32/00/67/207320067.db2.gz WTUDKRFYZXNLHW-DEOSSOPVSA-N 1 2 383.451 4.084 1 0 GIAFLO Cc1cccc(C)c1Nc1ncc(-c2ccc(C(=O)N(C)C)cc2)n2c[nH+]cc12 ZINC000028641379 207346668 /nfs/dbraw/zinc/34/66/68/207346668.db2.gz FXJRVQWKPAGAQH-UHFFFAOYSA-N 1 2 385.471 4.459 1 0 GIAFLO COC(=O)C1C=C2C(=O)c3ccccc3[C@]1(c1ccccc1)[N@H+]2C1CCCCC1 ZINC000031898906 207388700 /nfs/dbraw/zinc/38/87/00/207388700.db2.gz ZKADLOXAHFISDD-DHLKQENFSA-N 1 2 387.479 4.243 1 0 GIAFLO COC(=O)C1C=C2C(=O)c3ccccc3[C@]1(c1ccccc1)[N@@H+]2C1CCCCC1 ZINC000031898906 207388706 /nfs/dbraw/zinc/38/87/06/207388706.db2.gz ZKADLOXAHFISDD-DHLKQENFSA-N 1 2 387.479 4.243 1 0 GIAFLO CCN1c2ccccc2[C@@](CC)([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1=O ZINC000096299797 208304527 /nfs/dbraw/zinc/30/45/27/208304527.db2.gz UTXCMSKCFYPXAI-HSZRJFAPSA-N 1 2 397.950 4.130 1 0 GIAFLO CCN1c2ccccc2[C@@](CC)(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1=O ZINC000096299797 208304531 /nfs/dbraw/zinc/30/45/31/208304531.db2.gz UTXCMSKCFYPXAI-HSZRJFAPSA-N 1 2 397.950 4.130 1 0 GIAFLO CCOC(=O)Nc1cc2[nH+]c(-c3ccc(Br)cc3)[nH]c2c(N)c1 ZINC000096928358 208328844 /nfs/dbraw/zinc/32/88/44/208328844.db2.gz XTSOPUMYKMVFPA-UHFFFAOYSA-N 1 2 375.226 4.143 1 0 GIAFLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N(c1ccccc1)c1ccccc1 ZINC000073160212 136171497 /nfs/dbraw/zinc/17/14/97/136171497.db2.gz MEYDAZJMWPWXDD-UHFFFAOYSA-N 1 2 389.474 4.313 1 0 GIAFLO O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000103245461 136191097 /nfs/dbraw/zinc/19/10/97/136191097.db2.gz NHEPQQVAWXSJRZ-NTEUORMPSA-N 1 2 384.483 4.060 1 0 GIAFLO OCC[NH+]1CCN([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000000596855 206308323 /nfs/dbraw/zinc/30/83/23/206308323.db2.gz KZIRWQDAAMOPNE-NQIIRXRSSA-N 1 2 391.342 4.180 1 0 GIAFLO Cc1ccc(-n2c(S)c(C(=O)N[C@H](C)c3ccccc3)[n+]3ccccc23)cc1 ZINC000005694338 206625467 /nfs/dbraw/zinc/62/54/67/206625467.db2.gz PUKFBVCCKZFSBJ-QGZVFWFLSA-O 1 2 388.516 4.304 3 0 GIAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@@H](c2ccncc2)C1C(=O)OCC ZINC000026576889 207316849 /nfs/dbraw/zinc/31/68/49/207316849.db2.gz XDRWPNFSYGIPSG-HXTJDARSSA-N 1 2 392.455 4.420 1 0 GIAFLO C[C@@]1(O)C[C@H](c2[nH+]c(-c3ccc(Cc4ccccc4)cc3)c3c(N)nccn32)C1 ZINC000100618724 208378517 /nfs/dbraw/zinc/37/85/17/208378517.db2.gz ZSKAHJMMVVSPKI-DQMBHMMVSA-N 1 2 384.483 4.198 1 0 GIAFLO OCCN1CC[NH+]([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1 ZINC000028008633 207333976 /nfs/dbraw/zinc/33/39/76/207333976.db2.gz VZFLXULHCQDZCW-PZJWPPBQSA-N 1 2 391.342 4.180 1 0 GIAFLO C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4c[nH+]cn4C)cn3)[C@H]12 ZINC000028823115 207349983 /nfs/dbraw/zinc/34/99/83/207349983.db2.gz NPNYHPPDAPQQJQ-VZROKPJISA-N 1 2 391.515 4.499 1 0 GIAFLO COc1ccc2nc(CCc3[nH+]c(-c4ccccc4)cn3C)n3nc(C)cc3c2c1 ZINC000066058934 207876379 /nfs/dbraw/zinc/87/63/79/207876379.db2.gz XCMHDRJYRTUVNO-UHFFFAOYSA-N 1 2 397.482 4.385 1 0 GIAFLO CCSc1cc(-n2cc(C)c3c2CC(C)(C)CC3=O)cc2[nH+]c(N)nc(N)c21 ZINC000084619262 208093818 /nfs/dbraw/zinc/09/38/18/208093818.db2.gz WPLHMVSRQSBZGM-UHFFFAOYSA-N 1 2 395.532 4.160 1 0 GIAFLO O=c1ccoc2cc(OCCC[N@@H+]3CCc4c5ccccc5oc4C3)ccc12 ZINC000013860945 207002791 /nfs/dbraw/zinc/00/27/91/207002791.db2.gz DFXJNWLVSYIHOX-UHFFFAOYSA-N 1 2 375.424 4.366 1 0 GIAFLO O=c1ccoc2cc(OCCC[N@H+]3CCc4c5ccccc5oc4C3)ccc12 ZINC000013860945 207002796 /nfs/dbraw/zinc/00/27/96/207002796.db2.gz DFXJNWLVSYIHOX-UHFFFAOYSA-N 1 2 375.424 4.366 1 0 GIAFLO C[N@H+]1CC=C(c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)CC1 ZINC000025993670 207309275 /nfs/dbraw/zinc/30/92/75/207309275.db2.gz GGZGPKVZYAMQPV-UHFFFAOYSA-N 1 2 383.831 4.244 1 0 GIAFLO C[N@@H+]1CC=C(c2c(=O)cc(O)c3c(O)cc(-c4ccccc4Cl)oc2-3)CC1 ZINC000025993670 207309281 /nfs/dbraw/zinc/30/92/81/207309281.db2.gz GGZGPKVZYAMQPV-UHFFFAOYSA-N 1 2 383.831 4.244 1 0 GIAFLO CCN1CC[N@H+](CC)[C@@H](c2ccc(OC)cc2F)[C@H]1c1ccc(OC)cc1F ZINC000026390096 207313520 /nfs/dbraw/zinc/31/35/20/207313520.db2.gz YQGOJRSQPHZLKD-SZPZYZBQSA-N 1 2 390.474 4.422 1 0 GIAFLO CCN1CC[N@@H+](CC)[C@@H](c2ccc(OC)cc2F)[C@H]1c1ccc(OC)cc1F ZINC000026390096 207313524 /nfs/dbraw/zinc/31/35/24/207313524.db2.gz YQGOJRSQPHZLKD-SZPZYZBQSA-N 1 2 390.474 4.422 1 0 GIAFLO CCN1CC[N@H+](CC)[C@H](c2ccc(OC)cc2F)[C@@H]1c1ccc(OC)cc1F ZINC000026390096 207313528 /nfs/dbraw/zinc/31/35/28/207313528.db2.gz YQGOJRSQPHZLKD-SZPZYZBQSA-N 1 2 390.474 4.422 1 0 GIAFLO CCN1CC[N@@H+](CC)[C@H](c2ccc(OC)cc2F)[C@@H]1c1ccc(OC)cc1F ZINC000026390096 207313533 /nfs/dbraw/zinc/31/35/33/207313533.db2.gz YQGOJRSQPHZLKD-SZPZYZBQSA-N 1 2 390.474 4.422 1 0 GIAFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@H](c2ccncc2)C1C(=O)OCC ZINC000026576890 207316273 /nfs/dbraw/zinc/31/62/73/207316273.db2.gz XDRWPNFSYGIPSG-ODUYVQIQSA-N 1 2 392.455 4.420 1 0 GIAFLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000028378515 207340989 /nfs/dbraw/zinc/34/09/89/207340989.db2.gz DULALBWPOFGOBM-UHFFFAOYSA-N 1 2 385.511 4.423 1 0 GIAFLO Brc1ccc([C@]2(Cn3cc[nH+]c3)OC[C@@H](c3ccccc3)O2)cc1 ZINC000028768275 207348495 /nfs/dbraw/zinc/34/84/95/207348495.db2.gz ITAPOIQZNBPLNJ-RBUKOAKNSA-N 1 2 385.261 4.287 1 0 GIAFLO COC(=N)c1nc2ccc3ncnc(Nc4ccc([NH+](C)C)cc4)c3c2s1 ZINC000096270449 208301161 /nfs/dbraw/zinc/30/11/61/208301161.db2.gz QISBQDNTYJNGHX-UHFFFAOYSA-N 1 2 378.461 4.021 1 0 GIAFLO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000040847707 132408473 /nfs/dbraw/zinc/40/84/73/132408473.db2.gz MPOUFYHFTBIYSO-CQSZACIVSA-N 1 2 375.398 4.211 1 0 GIAFLO COc1ccc(-c2nc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)co2)cc1 ZINC000072185413 536513711 /nfs/dbraw/zinc/51/37/11/536513711.db2.gz FGSGJONKXWRRKI-UHFFFAOYSA-N 1 2 377.488 4.289 1 0 GIAFLO Cc1c(C(=O)c2c(C)cccc2C)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742552 206997042 /nfs/dbraw/zinc/99/70/42/206997042.db2.gz ZBHSHHLFIVULKY-UHFFFAOYSA-N 1 2 376.500 4.130 1 0 GIAFLO FC(F)(F)c1cc(Nc2nccc(-c3ccncc3)n2)ccc1-n1cc[nH+]c1 ZINC000026655828 207318404 /nfs/dbraw/zinc/31/84/04/207318404.db2.gz AFKWNRCLQDGIPI-UHFFFAOYSA-N 1 2 382.349 4.487 1 0 GIAFLO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2oc3c(cccc3Cl)c2C1 ZINC000027862211 207331340 /nfs/dbraw/zinc/33/13/40/207331340.db2.gz HNRZWHPQDGUUSO-UHFFFAOYSA-N 1 2 393.874 4.003 1 0 GIAFLO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCc2oc3c(cccc3Cl)c2C1 ZINC000027862211 207331346 /nfs/dbraw/zinc/33/13/46/207331346.db2.gz HNRZWHPQDGUUSO-UHFFFAOYSA-N 1 2 393.874 4.003 1 0 GIAFLO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2oc3ccc(Cl)cc3c2C1 ZINC000027861658 207331501 /nfs/dbraw/zinc/33/15/01/207331501.db2.gz RJGDAIXCXQIWEK-UHFFFAOYSA-N 1 2 393.874 4.003 1 0 GIAFLO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCc2oc3ccc(Cl)cc3c2C1 ZINC000027861658 207331507 /nfs/dbraw/zinc/33/15/07/207331507.db2.gz RJGDAIXCXQIWEK-UHFFFAOYSA-N 1 2 393.874 4.003 1 0 GIAFLO Brc1ccc([C@H]2CO[C@](Cn3cc[nH+]c3)(c3ccccc3)O2)cc1 ZINC000028768657 207347544 /nfs/dbraw/zinc/34/75/44/207347544.db2.gz PKKSVUFZENJNBX-MOPGFXCFSA-N 1 2 385.261 4.287 1 0 GIAFLO Cc1cc([C@@H](c2ccc(OCc3ccccc3)cc2)[NH+]2CCN(C)CC2)sn1 ZINC000028248928 207338111 /nfs/dbraw/zinc/33/81/11/207338111.db2.gz FDLGIFITIZZEHO-HSZRJFAPSA-N 1 2 393.556 4.367 1 0 GIAFLO Cc1cc([C@H](c2ccc(OCc3ccccc3)cc2)[NH+]2CCN(C)CC2)sn1 ZINC000028248922 207338405 /nfs/dbraw/zinc/33/84/05/207338405.db2.gz FDLGIFITIZZEHO-QHCPKHFHSA-N 1 2 393.556 4.367 1 0 GIAFLO C[C@@]1(O)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109179 207971185 /nfs/dbraw/zinc/97/11/85/207971185.db2.gz VVJCLCXPKFBKJE-HXUWFJFHSA-N 1 2 392.256 4.419 1 0 GIAFLO CCOC(=O)C1=C(C)Oc2[nH+]c3c(c(N)c2[C@@H]1c1ccc(C)cc1)CCCC3 ZINC000013837569 207003342 /nfs/dbraw/zinc/00/33/42/207003342.db2.gz UHBYWTXOUSTTSQ-LJQANCHMSA-N 1 2 378.472 4.212 1 0 GIAFLO CC(C)C(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000028822919 207349539 /nfs/dbraw/zinc/34/95/39/207349539.db2.gz CNMHUHSHOVUXGS-UHFFFAOYSA-N 1 2 387.527 4.496 1 0 GIAFLO Clc1ccccc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779166 210168701 /nfs/dbraw/zinc/16/87/01/210168701.db2.gz VULFPRDJSLUKRC-UHFFFAOYSA-N 1 2 394.862 4.161 1 0 GIAFLO Clc1ccccc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779166 210168703 /nfs/dbraw/zinc/16/87/03/210168703.db2.gz VULFPRDJSLUKRC-UHFFFAOYSA-N 1 2 394.862 4.161 1 0 GIAFLO CCc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000014976953 210137633 /nfs/dbraw/zinc/13/76/33/210137633.db2.gz DJFOTTYJRUVOFU-MRXNPFEDSA-N 1 2 376.435 4.306 1 0 GIAFLO Cc1c(C(=O)c2ccc3cccnc3c2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742597 210088890 /nfs/dbraw/zinc/08/88/90/210088890.db2.gz MKFQSRZGXGZRFE-UHFFFAOYSA-N 1 2 399.494 4.061 1 0 GIAFLO Cc1c(C(=O)c2ccc3occc3c2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742602 210088643 /nfs/dbraw/zinc/08/86/43/210088643.db2.gz XBSGXJBQLLJTNJ-UHFFFAOYSA-N 1 2 388.467 4.259 1 0 GIAFLO Cc1cc2c3c4c(c[nH]c4ccc3[nH+]1)CN2c1ccc(NS(C)(=O)=O)cc1 ZINC000001863792 209341212 /nfs/dbraw/zinc/34/12/12/209341212.db2.gz KHPQSSGQTNODDD-UHFFFAOYSA-N 1 2 378.457 4.048 1 0 GIAFLO COc1ccc2c(c1)[C@]1(COC(=[NH2+])N1)c1cc(-c3ccnc(Cl)c3)ccc1O2 ZINC000095579625 211279336 /nfs/dbraw/zinc/27/93/36/211279336.db2.gz VAZIEHLSWRALTQ-NRFANRHFSA-N 1 2 393.830 4.105 1 0 GIAFLO COc1cc2c(cc1-c1c(C)noc1C)[nH+]cc(C(N)=O)c2NC1CCCCC1 ZINC000084635923 211172596 /nfs/dbraw/zinc/17/25/96/211172596.db2.gz MWCQWHMNJUFCOD-UHFFFAOYSA-N 1 2 394.475 4.359 1 0 GIAFLO COc1cc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)ccc1-n1c[nH+]c(C)c1 ZINC000084587080 211171317 /nfs/dbraw/zinc/17/13/17/211171317.db2.gz XKTDUDDXQKDGPH-SFHVURJKSA-N 1 2 381.863 4.260 1 0 GIAFLO Cc1nn(-c2cccc(Cl)c2)c2c1c(N1CCOCC1)[nH+]c1ccccc21 ZINC000026746156 210505783 /nfs/dbraw/zinc/50/57/83/210505783.db2.gz MZESAGRRBNRFDP-UHFFFAOYSA-N 1 2 378.863 4.372 1 0 GIAFLO Cc1c(C(=O)c2ccccc2Cl)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742545 210088145 /nfs/dbraw/zinc/08/81/45/210088145.db2.gz PXJVUKBVDDBTMW-UHFFFAOYSA-N 1 2 382.891 4.166 1 0 GIAFLO CCCN(CCC)c1cc(C)nc2c(-c3ccc(N(C)C)[nH+]c3C)c(C)nn21 ZINC000013583111 210070622 /nfs/dbraw/zinc/07/06/22/210070622.db2.gz QMWZFTINOXTWCZ-UHFFFAOYSA-N 1 2 380.540 4.409 1 0 GIAFLO COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CC(C)C)ccc1-n1c[nH+]c(C)c1 ZINC000095574005 211278726 /nfs/dbraw/zinc/27/87/26/211278726.db2.gz SEMGDCNPEKJXOY-FHTAPLDASA-N 1 2 394.519 4.427 1 0 GIAFLO Cc1ccc(C(=O)NCCCC2CCCCC2)cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000040422551 581092861 /nfs/dbraw/zinc/09/28/61/581092861.db2.gz ZGRFFKUUDPFJDU-UHFFFAOYSA-N 1 2 394.519 4.315 1 0 GIAFLO Cc1nc(CCCCCC[C@@H](O)c2ccccc2)n2nc(-n3cc[nH+]c3)ccc12 ZINC000005891780 581094110 /nfs/dbraw/zinc/09/41/10/581094110.db2.gz XNNDFZXOOZMWFV-OAQYLSRUSA-N 1 2 389.503 4.450 1 0 GIAFLO COc1cc([C@@H]2[NH2+][C@H](c3nccs3)Cc3ccsc32)cc(OC)c1OC ZINC000019549934 210258800 /nfs/dbraw/zinc/25/88/00/210258800.db2.gz UFLJRSKXHRJQQR-BBRMVZONSA-N 1 2 388.514 4.207 1 0 GIAFLO COc1ccc(C(=O)c2c(C)n([C@H](C)C[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000013742525 210087490 /nfs/dbraw/zinc/08/74/90/210087490.db2.gz YKMQWFRCMFOWQD-QGZVFWFLSA-N 1 2 392.499 4.083 1 0 GIAFLO Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(NN)=[NH+]C=N[C@@H]32)cc1 ZINC000098084645 211380006 /nfs/dbraw/zinc/38/00/06/211380006.db2.gz RQEUIRNAGOHDJJ-WIOPSUGQSA-N 1 2 393.494 4.230 1 0 GIAFLO CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(C[NH+]3CCOCC3)n21 ZINC000072179367 211081594 /nfs/dbraw/zinc/08/15/94/211081594.db2.gz ZCPAKTVXUBGVRD-UHFFFAOYSA-N 1 2 393.512 4.447 1 0 GIAFLO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N(C(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000071317549 211045876 /nfs/dbraw/zinc/04/58/76/211045876.db2.gz FZHGLOCDHOYYLD-PTRHGPIFSA-N 1 2 387.483 4.049 1 0 GIAFLO Oc1ccc(N2CCN(c3cc(-c4ccccn4)[nH+]c4ccccc43)CC2)cc1 ZINC000096269558 136185996 /nfs/dbraw/zinc/18/59/96/136185996.db2.gz OQYRBFHDQXGXBC-UHFFFAOYSA-N 1 2 382.467 4.329 1 0 GIAFLO c1cn(Cc2ccccc2)c(C2(c3ccccc3)CCN(c3ncccn3)CC2)[nH+]1 ZINC000096310709 136186378 /nfs/dbraw/zinc/18/63/78/136186378.db2.gz XYHHNNJTSPIWFA-UHFFFAOYSA-N 1 2 395.510 4.308 1 0 GIAFLO Cc1c(C(=O)c2ccc(Cl)cc2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742547 210087342 /nfs/dbraw/zinc/08/73/42/210087342.db2.gz OEFXBBIBIQDPED-UHFFFAOYSA-N 1 2 382.891 4.166 1 0 GIAFLO Cc1c(C(=O)c2coc3ccccc23)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742600 210088655 /nfs/dbraw/zinc/08/86/55/210088655.db2.gz CEBLITXHJFDKAP-UHFFFAOYSA-N 1 2 388.467 4.259 1 0 GIAFLO Nc1c2c([nH+]c3c1[C@H](c1ccncc1)c1c(=O)oc4ccccc4c1O3)CCCC2 ZINC000096284155 211331892 /nfs/dbraw/zinc/33/18/92/211331892.db2.gz JTSNOIBVMLQPFN-SFHVURJKSA-N 1 2 397.434 4.330 1 0 GIAFLO CCNC(=O)Nc1nc2cc(N)[nH+]cc2cc1-c1c(Cl)cccc1Cl ZINC000021289523 210380379 /nfs/dbraw/zinc/38/03/79/210380379.db2.gz SHMZPLWJQVFWLG-UHFFFAOYSA-N 1 2 376.247 4.327 1 0 GIAFLO CC(C)(O)[C@H]1CCCN(c2cc(NC(C)(C)c3ccc(Cl)cc3)[nH+]cn2)C1 ZINC000073199025 136171499 /nfs/dbraw/zinc/17/14/99/136171499.db2.gz SXMWPVLVJRMRDN-INIZCTEOSA-N 1 2 388.943 4.465 1 0 GIAFLO CC(C)(O)[C@H]1CCCN(c2cc(NC(C)(C)c3ccc(Cl)cc3)nc[nH+]2)C1 ZINC000073199025 136171500 /nfs/dbraw/zinc/17/15/00/136171500.db2.gz SXMWPVLVJRMRDN-INIZCTEOSA-N 1 2 388.943 4.465 1 0 GIAFLO O=Cc1ccc(N2CCN(c3cc(-c4ccccn4)[nH+]c4ccccc43)CC2)cc1 ZINC000096269560 136186036 /nfs/dbraw/zinc/18/60/36/136186036.db2.gz QGWSVGFYCOWDJT-UHFFFAOYSA-N 1 2 394.478 4.436 1 0 GIAFLO Cc1c(C(=O)c2cc3ccccc3o2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742599 210088847 /nfs/dbraw/zinc/08/88/47/210088847.db2.gz RXEVJTKPTYQXDL-UHFFFAOYSA-N 1 2 388.467 4.259 1 0 GIAFLO CCOC(=O)c1nc2c(O)n(Cc3ccccc3)[nH+]c(-c3ccccc3)c-2c1C ZINC000100791977 211392957 /nfs/dbraw/zinc/39/29/57/211392957.db2.gz OLJAAPUCEAQOJO-UHFFFAOYSA-N 1 2 387.439 4.289 1 0 GIAFLO C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N(C(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000071317548 211045335 /nfs/dbraw/zinc/04/53/35/211045335.db2.gz FZHGLOCDHOYYLD-WKZKVMAPSA-N 1 2 387.483 4.049 1 0 GIAFLO CCc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC000014976948 210137726 /nfs/dbraw/zinc/13/77/26/210137726.db2.gz QVEGWYOUJZKXIV-MRXNPFEDSA-N 1 2 388.471 4.176 1 0 GIAFLO Cc1c(C(=O)c2cccc3ncccc32)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742594 210088227 /nfs/dbraw/zinc/08/82/27/210088227.db2.gz VULCVQOSDHKNHK-UHFFFAOYSA-N 1 2 399.494 4.061 1 0 GIAFLO COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3c[nH+]c(CO)n32)c1OC ZINC000013441509 210061094 /nfs/dbraw/zinc/06/10/94/210061094.db2.gz PHSKAHODMOJUMX-UHFFFAOYSA-N 1 2 398.850 4.097 1 0 GIAFLO O=C(c1cccc2ccccc21)N1CCN(Cc2c[nH+]c[nH]2)Cc2ccccc21 ZINC000001487111 209330806 /nfs/dbraw/zinc/33/08/06/209330806.db2.gz FAHPNXGCSCVKDH-UHFFFAOYSA-N 1 2 382.467 4.226 1 0 GIAFLO O=C(c1cccc2ccccc21)N1CCN(Cc2c[nH]c[nH+]2)Cc2ccccc21 ZINC000001487111 209330809 /nfs/dbraw/zinc/33/08/09/209330809.db2.gz FAHPNXGCSCVKDH-UHFFFAOYSA-N 1 2 382.467 4.226 1 0 GIAFLO Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c[nH+]c2N)c2cccnc12 ZINC000084707656 211174629 /nfs/dbraw/zinc/17/46/29/211174629.db2.gz AKHVMIQILCNDLV-UHFFFAOYSA-N 1 2 389.480 4.258 1 0 GIAFLO Oc1cccc(Nc2[nH+]c3ccccc3n2-c2ncnc(Nc3ccccc3)n2)c1 ZINC000071296563 211044265 /nfs/dbraw/zinc/04/42/65/211044265.db2.gz OXWDPINHMMOYAP-UHFFFAOYSA-N 1 2 395.426 4.403 1 0 GIAFLO Cc1c(C(=O)c2ccc3ccccc3n2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742591 210088424 /nfs/dbraw/zinc/08/84/24/210088424.db2.gz MWUYFVCJRYKYGW-UHFFFAOYSA-N 1 2 399.494 4.061 1 0 GIAFLO Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(NN)=[NH+]C=N[C@@H]32)cc1 ZINC000098084647 211379277 /nfs/dbraw/zinc/37/92/77/211379277.db2.gz RQEUIRNAGOHDJJ-RCZVLFRGSA-N 1 2 393.494 4.230 1 0 GIAFLO COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3C(C)C)ccc1-n1c[nH+]c(C)c1 ZINC000095578150 211277993 /nfs/dbraw/zinc/27/79/93/211277993.db2.gz RZJFAXNLNLKCSK-ACEGTKJHSA-N 1 2 380.492 4.037 1 0 GIAFLO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)co2)cc1 ZINC000072141388 211074237 /nfs/dbraw/zinc/07/42/37/211074237.db2.gz IQYFHSVZHCLNQD-UHFFFAOYSA-N 1 2 377.488 4.289 1 0 GIAFLO Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1-c1ccc(C(F)(F)F)cc1 ZINC000072122898 211072275 /nfs/dbraw/zinc/07/22/75/211072275.db2.gz BBIMUOMBAXOPSX-UHFFFAOYSA-N 1 2 387.409 4.374 1 0 GIAFLO CC(=O)c1cccc(C2=[NH+]CC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1 ZINC000040972258 221934693 /nfs/dbraw/zinc/93/46/93/221934693.db2.gz ZWLQIWVDNODMEB-UHFFFAOYSA-N 1 2 376.406 4.461 1 0 GIAFLO Cc1nc(CCCCCC[C@H](O)c2ccccc2)n2nc(-n3cc[nH+]c3)ccc12 ZINC000005891771 581094154 /nfs/dbraw/zinc/09/41/54/581094154.db2.gz XNNDFZXOOZMWFV-NRFANRHFSA-N 1 2 389.503 4.450 1 0 GIAFLO O[C@](Cn1cc[nH+]c1)(c1ccc(-c2ccncc2)cc1)c1ccc(F)cc1F ZINC000013892867 210096533 /nfs/dbraw/zinc/09/65/33/210096533.db2.gz IAJFYMVLKYAWBA-JOCHJYFZSA-N 1 2 377.394 4.159 1 0 GIAFLO Cc1c(C(=O)c2cc(C)cc(C)c2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742554 210087714 /nfs/dbraw/zinc/08/77/14/210087714.db2.gz WJZQMWAQQGXJQE-UHFFFAOYSA-N 1 2 376.500 4.130 1 0 GIAFLO Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(NN)=[NH+]C=N[C@H]32)cc1 ZINC000098084648 211380629 /nfs/dbraw/zinc/38/06/29/211380629.db2.gz RQEUIRNAGOHDJJ-RDGATRHJSA-N 1 2 393.494 4.230 1 0 GIAFLO COc1ccc2c3cc(C)nn3c(CCc3[nH+]c(-c4ccccc4)cn3C)nc2c1 ZINC000066058933 211000743 /nfs/dbraw/zinc/00/07/43/211000743.db2.gz WENLVSWXXLMQOT-UHFFFAOYSA-N 1 2 397.482 4.385 1 0 GIAFLO COc1ccc(-c2c3[nH+]cn(C)c3cc3cc(OC)c(OC)c(OC)c32)cc1 ZINC000096938726 222433114 /nfs/dbraw/zinc/43/31/14/222433114.db2.gz OLBMKRSFNRNSHX-UHFFFAOYSA-N 1 2 378.428 4.428 1 0 GIAFLO OCCN1CC[NH+](Cc2ccccc2Sc2ccc3ccccc3c2)CC1 ZINC000084732488 230955200 /nfs/dbraw/zinc/95/52/00/230955200.db2.gz SMPNFCXJQDIFFK-UHFFFAOYSA-N 1 2 378.541 4.101 1 0 GIAFLO Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000001350690 212237241 /nfs/dbraw/zinc/23/72/41/212237241.db2.gz RRHZGWVBTWANSP-UHFFFAOYSA-N 1 2 390.462 4.446 3 0 GIAFLO Cc1c(C(=O)c2ccccc2F)c2ccccc2n1[C@H](C)C[NH+]1CCOCC1 ZINC000013820958 221290807 /nfs/dbraw/zinc/29/08/07/221290807.db2.gz COEIKTDOBBJAHE-MRXNPFEDSA-N 1 2 380.463 4.213 1 0 GIAFLO Cc1[nH+]c2cc(OC(F)(F)F)ccc2n1-c1ccc(C(=O)NC2CC2)s1 ZINC000058639005 222053577 /nfs/dbraw/zinc/05/35/77/222053577.db2.gz ACFOZQUWTKSSQQ-UHFFFAOYSA-N 1 2 381.379 4.186 1 0 in-vivo GIAFLO CC(C)=CC[C@]12CC[N@@H+](C)[C@H]1N(S(=O)(=O)c1ccccc1)c1ccccc12 ZINC000073242248 222268643 /nfs/dbraw/zinc/26/86/43/222268643.db2.gz HODDMWCQFNLOHF-FCHUYYIVSA-N 1 2 382.529 4.151 1 0 GIAFLO CC(C)=CC[C@]12CC[N@H+](C)[C@H]1N(S(=O)(=O)c1ccccc1)c1ccccc12 ZINC000073242248 222268646 /nfs/dbraw/zinc/26/86/46/222268646.db2.gz HODDMWCQFNLOHF-FCHUYYIVSA-N 1 2 382.529 4.151 1 0 GIAFLO CCCCN(CC)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000013583153 221275808 /nfs/dbraw/zinc/27/58/08/221275808.db2.gz FZRYNHVKHWRPAV-UHFFFAOYSA-N 1 2 380.540 4.409 1 0 GIAFLO Cc1c(C(=O)c2cccc3ccoc32)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742605 221287431 /nfs/dbraw/zinc/28/74/31/221287431.db2.gz RZCBDNOBKGMNEI-UHFFFAOYSA-N 1 2 388.467 4.259 1 0 GIAFLO COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)c[nH+]c21 ZINC000013860482 221292279 /nfs/dbraw/zinc/29/22/79/221292279.db2.gz JGJJRQMHCYZKQT-KRWDZBQOSA-N 1 2 394.862 4.074 1 0 GIAFLO C[C@@H]1[C@H]([NH+]2CCCCC2)Oc2cc3c(cc2[C@@H]1c1ccc2c(c1)OCO2)OCO3 ZINC000017250806 221382068 /nfs/dbraw/zinc/38/20/68/221382068.db2.gz BZKPASBEIZXLFA-AETJINEWSA-N 1 2 395.455 4.116 1 0 GIAFLO COc1ccc(C[N@@H+]2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c(F)c1 ZINC000015079865 221332339 /nfs/dbraw/zinc/33/23/39/221332339.db2.gz LQXNTTGVTSFLAE-UHFFFAOYSA-N 1 2 391.446 4.040 3 0 GIAFLO COc1ccc(C[N@H+]2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c(F)c1 ZINC000015079865 221332344 /nfs/dbraw/zinc/33/23/44/221332344.db2.gz LQXNTTGVTSFLAE-UHFFFAOYSA-N 1 2 391.446 4.040 3 0 GIAFLO CC(C)n1nc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)c2c1nc[nH+]c2N ZINC000064564517 222074029 /nfs/dbraw/zinc/07/40/29/222074029.db2.gz PFRDPPRTLFHGLR-UHFFFAOYSA-N 1 2 392.463 4.394 1 0 GIAFLO C[C@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000169346979 222536004 /nfs/dbraw/zinc/53/60/04/222536004.db2.gz FZHGLOCDHOYYLD-GIHONLOASA-N 1 2 387.483 4.049 1 0 GIAFLO Cc1c(C(=O)c2ccc3ncccc3c2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742595 221286502 /nfs/dbraw/zinc/28/65/02/221286502.db2.gz FRSCTJFBEMHPHN-UHFFFAOYSA-N 1 2 399.494 4.061 1 0 GIAFLO O=C(c1cccc2ccccc21)N1CCN(CCc2c[nH]c[nH+]2)c2ccccc2C1 ZINC000013803033 221289392 /nfs/dbraw/zinc/28/93/92/221289392.db2.gz SQBNUDROYGKDSB-UHFFFAOYSA-N 1 2 396.494 4.268 1 0 GIAFLO O=C(c1cccc2ccccc21)N1CCN(CCc2c[nH+]c[nH]2)c2ccccc2C1 ZINC000013803033 221289395 /nfs/dbraw/zinc/28/93/95/221289395.db2.gz SQBNUDROYGKDSB-UHFFFAOYSA-N 1 2 396.494 4.268 1 0 GIAFLO Cc1c(C(=O)c2ccccc2F)c2ccccc2n1[C@@H](C)C[NH+]1CCOCC1 ZINC000013781972 221289805 /nfs/dbraw/zinc/28/98/05/221289805.db2.gz COEIKTDOBBJAHE-INIZCTEOSA-N 1 2 380.463 4.213 1 0 GIAFLO Nc1[nH+]cnc2[nH]nc(-c3cccc(OCc4c(Cl)cccc4Cl)c3)c21 ZINC000064479748 222072619 /nfs/dbraw/zinc/07/26/19/222072619.db2.gz OKVMRMKMAISZAE-UHFFFAOYSA-N 1 2 386.242 4.488 1 0 GIAFLO Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3[nH+]cnc(N4CCCCC4)c32)cc1 ZINC000072137609 222209983 /nfs/dbraw/zinc/20/99/83/222209983.db2.gz XUOHWQMJMFPBCO-LJQANCHMSA-N 1 2 393.535 4.149 3 0 GIAFLO Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3nc[nH+]c(N4CCCCC4)c32)cc1 ZINC000072137609 222209985 /nfs/dbraw/zinc/20/99/85/222209985.db2.gz XUOHWQMJMFPBCO-LJQANCHMSA-N 1 2 393.535 4.149 3 0 GIAFLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000084705574 222321665 /nfs/dbraw/zinc/32/16/65/222321665.db2.gz XAJBFYACHVQOEW-CRAIPNDOSA-N 1 2 383.883 4.173 1 0 GIAFLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000084705574 222321669 /nfs/dbraw/zinc/32/16/69/222321669.db2.gz XAJBFYACHVQOEW-CRAIPNDOSA-N 1 2 383.883 4.173 1 0 GIAFLO C[C@]1(C(=O)Nc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1OC(F)F ZINC000061906513 222062609 /nfs/dbraw/zinc/06/26/09/222062609.db2.gz GSVKXVKVXDFEBG-JOCHJYFZSA-N 1 2 397.425 4.439 3 0 GIAFLO C[C@]1(C(=O)Nc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1OC(F)F ZINC000061906513 222062615 /nfs/dbraw/zinc/06/26/15/222062615.db2.gz GSVKXVKVXDFEBG-JOCHJYFZSA-N 1 2 397.425 4.439 3 0 GIAFLO CCOC(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000087666870 222327215 /nfs/dbraw/zinc/32/72/15/222327215.db2.gz IDNSINQXOXDMHW-UHFFFAOYSA-N 1 2 389.499 4.470 1 0 GIAFLO C[N@H+](CCc1ccccc1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095569928 222356295 /nfs/dbraw/zinc/35/62/95/222356295.db2.gz MGILAJBCGGZHBW-OAQYLSRUSA-N 1 2 389.503 4.438 3 0 GIAFLO C[N@@H+](CCc1ccccc1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095569928 222356300 /nfs/dbraw/zinc/35/63/00/222356300.db2.gz MGILAJBCGGZHBW-OAQYLSRUSA-N 1 2 389.503 4.438 3 0 GIAFLO O[C@@](Cn1cc[nH+]c1)(c1ccc(-c2ccncc2)cc1)c1ccc(F)cc1F ZINC000000599402 212164931 /nfs/dbraw/zinc/16/49/31/212164931.db2.gz IAJFYMVLKYAWBA-QFIPXVFZSA-N 1 2 377.394 4.159 1 0 GIAFLO Cc1c(C(=O)c2ccc(C)c(C)c2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742555 221287416 /nfs/dbraw/zinc/28/74/16/221287416.db2.gz QPFANIPLVKQNJA-UHFFFAOYSA-N 1 2 376.500 4.130 1 0 GIAFLO Brc1ccc2nc(-n3cc[nH+]c3)nc(NCc3ccccc3)c2c1 ZINC000000834473 212187011 /nfs/dbraw/zinc/18/70/11/212187011.db2.gz DFGDYDPZOZQRCU-UHFFFAOYSA-N 1 2 380.249 4.190 1 0 GIAFLO COc1ccc(C(=O)c2c(C)n([C@@H](C)C[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000013742524 221286997 /nfs/dbraw/zinc/28/69/97/221286997.db2.gz YKMQWFRCMFOWQD-KRWDZBQOSA-N 1 2 392.499 4.083 1 0 GIAFLO COc1cc(C=Cc2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1-n1c[nH+]c(C)c1 ZINC000066251333 222139470 /nfs/dbraw/zinc/13/94/70/222139470.db2.gz VVUQQLRXQSHPIF-XBXARRHUSA-N 1 2 392.846 4.250 1 0 GIAFLO CC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000071317519 222180587 /nfs/dbraw/zinc/18/05/87/222180587.db2.gz UWPNKBCSKDRBJI-AWRGLXIESA-N 1 2 387.483 4.193 1 0 GIAFLO CCC1=NC(=O)N[C@@H](c2ccc(O)c(F)c2)C1c1[nH]cc(C2CCCCC2)[nH+]1 ZINC000084603047 222318704 /nfs/dbraw/zinc/31/87/04/222318704.db2.gz FFUYQONVIRZCKY-IBGZPJMESA-N 1 2 384.455 4.477 1 0 GIAFLO