smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C1Sc2cc(-n3cccn3)ccc2C2=NCCCN12 ZINC000095572070 185010600 /nfs/dbraw/zinc/01/06/00/185010600.db2.gz CCLVOXBUBISUIZ-UHFFFAOYSA-N 1 2 283.360 2.365 1 0 CEAFLO CCCC[N@H+]1CC(=O)N2CCc3ccc(F)cc3[C@H]2C1 ZINC000045364301 175362468 /nfs/dbraw/zinc/36/24/68/175362468.db2.gz GVOAUDVOHJXUJO-OAHLLOKOSA-N 1 2 276.355 2.367 1 0 CEAFLO CCCC[N@@H+]1CC(=O)N2CCc3ccc(F)cc3[C@H]2C1 ZINC000045364301 175362469 /nfs/dbraw/zinc/36/24/69/175362469.db2.gz GVOAUDVOHJXUJO-OAHLLOKOSA-N 1 2 276.355 2.367 1 0 CEAFLO CC(C)(c1nc2cccc(C(N)=O)c2[nH]1)[NH+]1CCCCC1 ZINC000040936594 581095009 /nfs/dbraw/zinc/09/50/09/581095009.db2.gz DGRRONUEGQIKCT-UHFFFAOYSA-N 1 2 286.379 2.383 1 0 CEAFLO O=c1cc(CS[C@@H]2[NH2+]CCS2)c2ccc(O)cc2o1 ZINC000045337626 175360962 /nfs/dbraw/zinc/36/09/62/175360962.db2.gz QJXSPUJTRHIPSX-CYBMUJFWSA-N 1 2 295.385 2.352 1 0 CEAFLO COC(=O)CCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000045371932 175364310 /nfs/dbraw/zinc/36/43/10/175364310.db2.gz KCKQURXFSZDYFU-UHFFFAOYSA-N 1 2 262.284 2.176 1 0 CEAFLO CCc1[nH+]c(C)c2c(C)nc3ccc(OC)nc3n12 ZINC000049110260 522234639 /nfs/dbraw/zinc/23/46/39/522234639.db2.gz WMPKDTHKWZGIRF-UHFFFAOYSA-N 1 2 256.309 2.465 1 0 CEAFLO C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)[NH+]1CCC1 ZINC000095577538 185011502 /nfs/dbraw/zinc/01/15/02/185011502.db2.gz HHUIZTKBJYLHHK-SNVBAGLBSA-N 1 2 287.367 2.001 1 0 CEAFLO CCNC(=O)N=c1[nH]c2ccc(-c3cc[nH+]c(C)c3)cc2[nH]1 ZINC000095601895 185015584 /nfs/dbraw/zinc/01/55/84/185015584.db2.gz ONAVJMBZABWXQC-UHFFFAOYSA-N 1 2 295.346 2.497 1 0 CEAFLO O[C@@H]1c2cc(F)ccc2S[C@@H]1Cn1cc[nH+]c1 ZINC000027408413 361653150 /nfs/dbraw/zinc/65/31/50/361653150.db2.gz VRZCXAGHGHPWSB-VXGBXAGGSA-N 1 2 250.298 2.230 1 0 CEAFLO CCOc1ccc(-c2n[nH]c3nc[nH+]c(N)c32)cc1OC ZINC000008581975 170341975 /nfs/dbraw/zinc/34/19/75/170341975.db2.gz UVDQTDYLJGKKKD-UHFFFAOYSA-N 1 2 285.307 2.009 1 0 CEAFLO CCCc1c(O)nc(Nc2[nH]c3ccccc3[nH+]2)[nH]c1=O ZINC000022310059 171384368 /nfs/dbraw/zinc/38/43/68/171384368.db2.gz RGDUVHJXEAPBEU-UHFFFAOYSA-N 1 2 285.307 2.048 1 0 CEAFLO O=C1c2cccc(Cl)c2C(=O)N1CCCn1cc[nH+]c1 ZINC000027898853 171537275 /nfs/dbraw/zinc/53/72/75/171537275.db2.gz QBIQPHITCUCRGK-UHFFFAOYSA-N 1 2 289.722 2.223 1 0 CEAFLO COC(=O)[C@]12CSC[C@H]1C[C@H](c1ccccc1OC)[NH2+]2 ZINC000031901044 171657305 /nfs/dbraw/zinc/65/73/05/171657305.db2.gz AZWXUVDULOWXDF-HCKVZZMMSA-N 1 2 293.388 2.004 1 0 CEAFLO Cc1nc2ccc(Cl)cc2n1-c1cc[nH+]c(N)n1 ZINC000095589759 185013851 /nfs/dbraw/zinc/01/38/51/185013851.db2.gz BTYXSUTUSCDGLU-UHFFFAOYSA-N 1 2 259.700 2.360 1 0 CEAFLO COc1cccc(N(C)c2nc(N)[nH+]c3c2CCC3)c1 ZINC000096934261 185133244 /nfs/dbraw/zinc/13/32/44/185133244.db2.gz VODOEZFANHGPMG-UHFFFAOYSA-N 1 2 270.336 2.324 1 0 CEAFLO CNC(=C[N+](=O)[O-])Nc1cccc(-c2[nH+]c[nH]c2C)c1 ZINC000100788778 185725086 /nfs/dbraw/zinc/72/50/86/185725086.db2.gz AHTVWBASZDVUGP-KPKJPENVSA-N 1 2 273.296 2.092 1 0 CEAFLO CC(C)=CC[N@H+]1Cc2c3c(cnc2C)[nH]c(=O)n3C[C@@H]1C ZINC000005930508 170157260 /nfs/dbraw/zinc/15/72/60/170157260.db2.gz WRJRQHASAIDUAY-NSHDSACASA-N 1 2 286.379 2.203 1 0 CEAFLO CC(C)=CC[N@@H+]1Cc2c3c(cnc2C)[nH]c(=O)n3C[C@@H]1C ZINC000005930508 170157261 /nfs/dbraw/zinc/15/72/61/170157261.db2.gz WRJRQHASAIDUAY-NSHDSACASA-N 1 2 286.379 2.203 1 0 CEAFLO OCCC[NH+]=C1N=C(Cl)C(=Cc2ccccc2)N1 ZINC000006514141 170208827 /nfs/dbraw/zinc/20/88/27/170208827.db2.gz AYKHIEWSUOZKHS-PKNBQFBNSA-N 1 2 263.728 2.006 1 0 CEAFLO COc1ccccc1-c1cc(-n2cc[nH+]c2)ncn1 ZINC000004239434 169947440 /nfs/dbraw/zinc/94/74/40/169947440.db2.gz RJLVJOLVJROLHY-UHFFFAOYSA-N 1 2 252.277 2.338 1 0 CEAFLO O=C(C[NH+]1CCCC1)Nc1nsc2ccccc21 ZINC000040379499 174249842 /nfs/dbraw/zinc/24/98/42/174249842.db2.gz CURGBYCUWLMCAX-UHFFFAOYSA-N 1 2 261.350 2.331 1 0 CEAFLO Cc1[nH+]ccn1-c1nc(C)nc(N(C)Cc2ccccc2)n1 ZINC000040763142 174397175 /nfs/dbraw/zinc/39/71/75/174397175.db2.gz KHTQPCMOFLBJQK-UHFFFAOYSA-N 1 2 294.362 2.311 1 0 CEAFLO COC(C[N@H+](C)Cc1coc(-c2cccs2)n1)OC ZINC000072182724 176335309 /nfs/dbraw/zinc/33/53/09/176335309.db2.gz UGESEYYNNQGIEY-UHFFFAOYSA-N 1 2 282.365 2.454 1 0 CEAFLO COC(C[N@@H+](C)Cc1coc(-c2cccs2)n1)OC ZINC000072182724 176335311 /nfs/dbraw/zinc/33/53/11/176335311.db2.gz UGESEYYNNQGIEY-UHFFFAOYSA-N 1 2 282.365 2.454 1 0 CEAFLO CNC(=O)/C=C(\c1ccccc1)c1ccc2[nH+]c(N)cn2c1 ZINC000052617298 524038729 /nfs/dbraw/zinc/03/87/29/524038729.db2.gz VGPARLAFMXWGDQ-NTEUORMPSA-N 1 2 292.342 2.094 1 0 CEAFLO C=C(c1cc2c3c(c1)CCC(=O)N3CC2)n1cc[nH+]c1 ZINC000095552758 185008458 /nfs/dbraw/zinc/00/84/58/185008458.db2.gz AHCDMEKROUDJMW-UHFFFAOYSA-N 1 2 265.316 2.237 1 0 CEAFLO CC(C)N(Cc1c[nH+]c[nH]1)c1cccc(S(C)(=O)=O)c1 ZINC000095560290 185009662 /nfs/dbraw/zinc/00/96/62/185009662.db2.gz IKJOTFHMLKRHPF-UHFFFAOYSA-N 1 2 293.392 2.228 1 0 CEAFLO CC(C)N(Cc1c[nH]c[nH+]1)c1cccc(S(C)(=O)=O)c1 ZINC000095560290 185009664 /nfs/dbraw/zinc/00/96/64/185009664.db2.gz IKJOTFHMLKRHPF-UHFFFAOYSA-N 1 2 293.392 2.228 1 0 CEAFLO Cc1cc(C)c2c([nH+]1)N[C@H](c1cccs1)NC2=O ZINC000040424895 174258800 /nfs/dbraw/zinc/25/88/00/174258800.db2.gz KYAFCFALRONWBB-NSHDSACASA-N 1 2 259.334 2.099 1 0 CEAFLO CC[C@@H]1C(=O)[n+]2ccsc2N(Cc2ccccc2)C1=O ZINC000040554847 174330664 /nfs/dbraw/zinc/33/06/64/174330664.db2.gz LUOHAUKLDDQULR-GFCCVEGCSA-N 1 2 287.364 2.168 1 0 CEAFLO Cc1cnc(NC(=O)C(C)(C)C)cc1C[NH+]1CCOCC1 ZINC000045245225 175336354 /nfs/dbraw/zinc/33/63/54/175336354.db2.gz QJLZKNFBWRBWEU-UHFFFAOYSA-N 1 2 291.395 2.207 1 0 CEAFLO O=c1cc(CS[C@H]2[NH2+]CCS2)c2ccc(O)cc2o1 ZINC000045337628 175361017 /nfs/dbraw/zinc/36/10/17/175361017.db2.gz QJXSPUJTRHIPSX-ZDUSSCGKSA-N 1 2 295.385 2.352 1 0 CEAFLO NC(=O)c1ccc(-c2cc(-c3ccncc3)c[nH+]c2N)cc1 ZINC000045337425 175360805 /nfs/dbraw/zinc/36/08/05/175360805.db2.gz OZDROCOONSMMQM-UHFFFAOYSA-N 1 2 290.326 2.492 1 0 CEAFLO COc1cc(-c2nn(C(C)C)c3nc[nH+]c(N)c23)ccc1O ZINC000008581954 170341671 /nfs/dbraw/zinc/34/16/71/170341671.db2.gz BZYKWEQWEPHEQZ-UHFFFAOYSA-N 1 2 299.334 2.371 1 0 CEAFLO COc1cc[nH+]cc1-c1cc2cc[nH]c2c(C(N)=O)c1 ZINC000071330805 176124296 /nfs/dbraw/zinc/12/42/96/176124296.db2.gz LFTVIGAUPYXAOT-UHFFFAOYSA-N 1 2 267.288 2.337 1 0 CEAFLO CC(=O)N1N=C2[C@H]([C@@H]1c1ccccc1)[NH+]1CCC2CC1 ZINC000020026323 278074887 /nfs/dbraw/zinc/07/48/87/278074887.db2.gz CJZPAMDCZNRDRJ-JKSUJKDBSA-N 1 2 269.348 2.040 3 0 CEAFLO CNc1[nH+]c2cc(Cl)c(Cl)cc2n1COCCO ZINC000005852696 170147075 /nfs/dbraw/zinc/14/70/75/170147075.db2.gz ACSATGDNRPXMKP-UHFFFAOYSA-N 1 2 290.150 2.351 1 0 CEAFLO COc1ccc(Oc2c[nH+]ccc2NS(C)(=O)=O)cc1 ZINC000013586674 170566384 /nfs/dbraw/zinc/56/63/84/170566384.db2.gz SJQYXSIKYYHNSV-UHFFFAOYSA-N 1 2 294.332 2.254 1 0 CEAFLO C[C@H](c1cc2c3c(c1)CCC(=O)N3CC2)n1cc[nH+]c1 ZINC000095552442 185008232 /nfs/dbraw/zinc/00/82/32/185008232.db2.gz SKGAUOWBHQMZOB-LLVKDONJSA-N 1 2 267.332 2.328 1 0 CEAFLO O=C1c2cc(Cl)ccc2OCC[C@H]1C[NH+]1CCOCC1 ZINC000062709410 527120665 /nfs/dbraw/zinc/12/06/65/527120665.db2.gz BIYCHBBRRSVGOJ-NSHDSACASA-N 1 2 295.766 2.254 1 0 CEAFLO Cc1cc(NCCCc2ccc(C)[nH+]c2)c2n[nH]c(=O)n2c1 ZINC000096907531 185128210 /nfs/dbraw/zinc/12/82/10/185128210.db2.gz ZDFKUJXTEZOUQT-UHFFFAOYSA-N 1 2 297.362 2.079 1 0 CEAFLO CC(C)n1nc(-c2ccc(O)cc2)c2c1nc[nH+]c2N ZINC000008581886 170341864 /nfs/dbraw/zinc/34/18/64/170341864.db2.gz KLQFKOVDEHUNHU-UHFFFAOYSA-N 1 2 269.308 2.362 1 0 CEAFLO O=C1c2cc(Cl)ccc2OCC[C@@H]1C[NH+]1CCOCC1 ZINC000062709413 527121413 /nfs/dbraw/zinc/12/14/13/527121413.db2.gz BIYCHBBRRSVGOJ-LLVKDONJSA-N 1 2 295.766 2.254 1 0 CEAFLO CCN(CC)c1ccc2[nH+]c(N)nc(N)c2c1Cl ZINC000045303135 175355877 /nfs/dbraw/zinc/35/58/77/175355877.db2.gz UYAOOSFTUMTMIM-UHFFFAOYSA-N 1 2 265.748 2.294 1 0 CEAFLO CC(=O)N1N=C2[C@H]([C@H]1c1ccccc1)[NH+]1CCC2CC1 ZINC000020026327 278074683 /nfs/dbraw/zinc/07/46/83/278074683.db2.gz CJZPAMDCZNRDRJ-HZPDHXFCSA-N 1 2 269.348 2.040 3 0 CEAFLO CC(=O)N1N=C2[C@@H]([C@H]1c1ccccc1)[NH+]1CCC2CC1 ZINC000020026325 277021253 /nfs/dbraw/zinc/02/12/53/277021253.db2.gz CJZPAMDCZNRDRJ-CVEARBPZSA-N 1 2 269.348 2.040 3 0 CEAFLO O=C1CC[C@@H](Cn2cc[nH+]c2)N1Cc1ccccc1 ZINC000034084777 171831005 /nfs/dbraw/zinc/83/10/05/171831005.db2.gz GWEITBZPJXCDEE-AWEZNQCLSA-N 1 2 255.321 2.074 1 0 CEAFLO COc1ccc(-c2nn(C(C)C)c3nc[nH+]c(N)c23)cc1O ZINC000008581958 170341962 /nfs/dbraw/zinc/34/19/62/170341962.db2.gz KUUKOPMICNKRGE-UHFFFAOYSA-N 1 2 299.334 2.371 1 0 CEAFLO c1cnc(Nc2nc3ccc(C4=[NH+]CCN4)cc3s2)nc1 ZINC000040403901 174253787 /nfs/dbraw/zinc/25/37/87/174253787.db2.gz YJVMKBCCZIVOJL-UHFFFAOYSA-N 1 2 296.359 2.180 1 0 CEAFLO COC(=O)CCc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC000045372416 175365146 /nfs/dbraw/zinc/36/51/46/175365146.db2.gz ZIPSERAQZAUHBX-UHFFFAOYSA-N 1 2 274.320 2.046 1 0 CEAFLO Cc1cccc(N2C(=O)C[C@H](n3cc[nH+]c3)C2=O)c1C ZINC000006721201 170232552 /nfs/dbraw/zinc/23/25/52/170232552.db2.gz GSRTZNULQQHXCN-ZDUSSCGKSA-N 1 2 269.304 2.005 3 0 CEAFLO COc1ccc(Cl)c2c1C[C@H]1[C@@H](C2)OCC[N@@H+]1C ZINC000040498312 174296005 /nfs/dbraw/zinc/29/60/05/174296005.db2.gz CWLSAPHNLUTFMV-GXTWGEPZSA-N 1 2 267.756 2.146 1 0 CEAFLO COc1ccc(Cl)c2c1C[C@H]1[C@@H](C2)OCC[N@H+]1C ZINC000040498312 174296007 /nfs/dbraw/zinc/29/60/07/174296007.db2.gz CWLSAPHNLUTFMV-GXTWGEPZSA-N 1 2 267.756 2.146 1 0 CEAFLO C[N@H+](C1CCC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000040919243 581098882 /nfs/dbraw/zinc/09/88/82/581098882.db2.gz YFOLFXVCGRQQMD-UHFFFAOYSA-N 1 2 286.379 2.381 1 0 CEAFLO C[N@@H+](C1CCC1)C(C)(C)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000040919243 581098883 /nfs/dbraw/zinc/09/88/83/581098883.db2.gz YFOLFXVCGRQQMD-UHFFFAOYSA-N 1 2 286.379 2.381 1 0 CEAFLO CC(=O)N1[C@@H](Nc2cccc[nH+]2)CCN1c1ccccc1 ZINC000005602153 170118567 /nfs/dbraw/zinc/11/85/67/170118567.db2.gz BBKDCLRCANBYSO-MRXNPFEDSA-N 1 2 282.347 2.493 1 0 CEAFLO CC1(C)C=C(n2ccccc2=O)c2c[nH+]ccc2O1 ZINC000000010479 169505977 /nfs/dbraw/zinc/50/59/77/169505977.db2.gz PBGTUGKVWKZORW-UHFFFAOYSA-N 1 2 254.289 2.304 1 0 CEAFLO C[C@@H](c1cc2c3c(c1)CCC(=O)N3CC2)n1cc[nH+]c1 ZINC000095552441 185008010 /nfs/dbraw/zinc/00/80/10/185008010.db2.gz SKGAUOWBHQMZOB-NSHDSACASA-N 1 2 267.332 2.328 1 0 CEAFLO COc1ccccc1N(C)c1nc(N)[nH+]c2c1CCC2 ZINC000096934262 185132922 /nfs/dbraw/zinc/13/29/22/185132922.db2.gz UPVRMCVMAWJMJC-UHFFFAOYSA-N 1 2 270.336 2.324 1 0 CEAFLO N=C1Sc2cc(-n3cc[nH+]c3)ccc2C2=NCCCN12 ZINC000095574959 185011357 /nfs/dbraw/zinc/01/13/57/185011357.db2.gz JAAHCICBUVABCB-UHFFFAOYSA-N 1 2 283.360 2.365 1 0 CEAFLO CC(C)n1nc(-c2ccc3nonc3c2)c2c1nc[nH+]c2N ZINC000064491862 520066695 /nfs/dbraw/zinc/06/66/95/520066695.db2.gz CYKWMIZUFXPHFW-UHFFFAOYSA-N 1 2 295.306 2.193 1 0 CEAFLO CC[C@H]1C(=O)[n+]2ccsc2N(Cc2ccccc2)C1=O ZINC000040554849 174330680 /nfs/dbraw/zinc/33/06/80/174330680.db2.gz LUOHAUKLDDQULR-LBPRGKRZSA-N 1 2 287.364 2.168 1 0 CEAFLO Nc1nccc(-c2cc([NH+]3CCCCC3)ccc2O)n1 ZINC000072109807 176317791 /nfs/dbraw/zinc/31/77/91/176317791.db2.gz NTCUVHFLLFHPKM-UHFFFAOYSA-N 1 2 270.336 2.422 1 0 CEAFLO CS(=O)(=O)Nc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC000061898829 525216279 /nfs/dbraw/zinc/21/62/79/525216279.db2.gz KDYSZOSQUVPJAE-UHFFFAOYSA-N 1 2 287.344 2.373 3 0 CEAFLO CC(C)CCn1c[nH+]c([C@@H](CCCC[NH3+])C(=O)[O-])c1 ZINC000026259164 171476552 /nfs/dbraw/zinc/47/65/52/171476552.db2.gz AOIWFDFLMKUPPW-GFCCVEGCSA-N 1 2 267.373 2.226 1 0 CEAFLO CN(C)C(=O)c1ccc(-c2nccc(-n3cc[nH+]c3)n2)cc1 ZINC000004239407 169947370 /nfs/dbraw/zinc/94/73/70/169947370.db2.gz UPMJUAFKKTVDIK-UHFFFAOYSA-N 1 2 293.330 2.031 1 0 CEAFLO c1cn(-c2ccc3nc(-c4ccncc4)[nH]c3n2)c[nH+]1 ZINC000004770075 170013969 /nfs/dbraw/zinc/01/39/69/170013969.db2.gz WXWNUEXWZTXSDQ-UHFFFAOYSA-N 1 2 262.276 2.206 1 0 CEAFLO c1cn(-c2ccc3[nH]c(-c4ccncc4)nc3n2)c[nH+]1 ZINC000004770075 170013972 /nfs/dbraw/zinc/01/39/72/170013972.db2.gz WXWNUEXWZTXSDQ-UHFFFAOYSA-N 1 2 262.276 2.206 1 0 CEAFLO S=C1Nc2ccccc2CN1CCCn1cc[nH+]c1 ZINC000045254163 175336817 /nfs/dbraw/zinc/33/68/17/175336817.db2.gz ZIKKEYGWASHMMZ-UHFFFAOYSA-N 1 2 272.377 2.486 1 0 CEAFLO c1cncc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCCC2)c1 ZINC000057710356 175601185 /nfs/dbraw/zinc/60/11/85/175601185.db2.gz FTOJRUCGDZBCQV-HNNXBMFYSA-N 1 2 298.394 2.368 3 0 CEAFLO COc1ccccc1-c1ccc2c(N)nc(N)[nH+]c2c1 ZINC000069137120 524272320 /nfs/dbraw/zinc/27/23/20/524272320.db2.gz GZWYCJUKEDOCPW-UHFFFAOYSA-N 1 2 266.304 2.470 1 0 in-vitro CEAFLO COCC(=O)NCCNc1[nH+]c2ccc(C)cc2cc1C ZINC000004886205 170036296 /nfs/dbraw/zinc/03/62/96/170036296.db2.gz IPTSVCURHZDEHI-UHFFFAOYSA-N 1 2 287.363 2.026 3 0 CEAFLO COc1ccc(Cl)c2c1C[C@H]1[C@H](C2)OCC[N@@H+]1C ZINC000040498311 174295945 /nfs/dbraw/zinc/29/59/45/174295945.db2.gz CWLSAPHNLUTFMV-JSGCOSHPSA-N 1 2 267.756 2.146 1 0 CEAFLO COc1ccc(Cl)c2c1C[C@H]1[C@H](C2)OCC[N@H+]1C ZINC000040498311 174295947 /nfs/dbraw/zinc/29/59/47/174295947.db2.gz CWLSAPHNLUTFMV-JSGCOSHPSA-N 1 2 267.756 2.146 1 0 CEAFLO CC(C)n1nc(-c2ccc3c(c2)OCO3)c2c1nc[nH+]c2N ZINC000071295472 176112069 /nfs/dbraw/zinc/11/20/69/176112069.db2.gz PNBDCDXPQZPIPK-UHFFFAOYSA-N 1 2 297.318 2.385 1 0 CEAFLO COc1ccc(N(C)c2nc(N)[nH+]c3c2CCC3)cc1 ZINC000096934260 185132908 /nfs/dbraw/zinc/13/29/08/185132908.db2.gz KAIOANMKTZOQEO-UHFFFAOYSA-N 1 2 270.336 2.324 1 0 CEAFLO COc1cc(-c2nn(C(C)C)c3nc[nH+]c(N)c23)ccc1N ZINC000008581988 170341815 /nfs/dbraw/zinc/34/18/15/170341815.db2.gz JDOVRLNHIYWZKZ-UHFFFAOYSA-N 1 2 298.350 2.247 1 0 CEAFLO C[NH2+][C@@H]1N(OC)c2ccccc2[C@@]12CN=C(SC)S2 ZINC000040394455 174252571 /nfs/dbraw/zinc/25/25/71/174252571.db2.gz WMDNIMJVDIAJTC-YPMHNXCESA-N 1 2 295.433 2.275 1 0 CEAFLO NC(=O)c1ccc(-c2cc(-c3cccnc3)c[nH+]c2N)cc1 ZINC000045368561 175363785 /nfs/dbraw/zinc/36/37/85/175363785.db2.gz GGAANWCENRTBBI-UHFFFAOYSA-N 1 2 290.326 2.492 1 0 CEAFLO COc1cc[nH+]c(CCc2nc3nccc(OC)c3[nH]2)c1 ZINC000072109809 176317357 /nfs/dbraw/zinc/31/73/57/176317357.db2.gz CGHCMKDMEHMAFF-UHFFFAOYSA-N 1 2 284.319 2.155 1 0 CEAFLO CC(C)N(Cc1c[nH+]c[nH]1)c1nccc(Cl)n1 ZINC000095561086 185009717 /nfs/dbraw/zinc/00/97/17/185009717.db2.gz ARRGJKBMQMDSEB-UHFFFAOYSA-N 1 2 251.721 2.268 1 0 CEAFLO CC(C)N(Cc1c[nH]c[nH+]1)c1nccc(Cl)n1 ZINC000095561086 185009718 /nfs/dbraw/zinc/00/97/18/185009718.db2.gz ARRGJKBMQMDSEB-UHFFFAOYSA-N 1 2 251.721 2.268 1 0 CEAFLO C[C@@H](O)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000143852825 136392854 /nfs/dbraw/zinc/39/28/54/136392854.db2.gz KNQNDRIJHNYXGG-SNVBAGLBSA-N 1 2 274.286 2.166 1 0 CEAFLO COc1ccc2c(c1)O[C@@H](C)[C@@H](n1cc[nH+]c1)C2=O ZINC000027407491 171516433 /nfs/dbraw/zinc/51/64/33/171516433.db2.gz CJFKUNZCKIDNLW-TVQRCGJNSA-N 1 2 258.277 2.097 1 0 CEAFLO COc1cccc(-c2nccc(-n3cc[nH+]c3)n2)c1 ZINC000004239465 169947424 /nfs/dbraw/zinc/94/74/24/169947424.db2.gz OTXIWAPYGGTWCR-UHFFFAOYSA-N 1 2 252.277 2.338 1 0 CEAFLO CCCC[N@H+]1CC(=O)N2CCc3ccc(F)cc3[C@@H]2C1 ZINC000045364304 175362475 /nfs/dbraw/zinc/36/24/75/175362475.db2.gz GVOAUDVOHJXUJO-HNNXBMFYSA-N 1 2 276.355 2.367 1 0 CEAFLO CCCC[N@@H+]1CC(=O)N2CCc3ccc(F)cc3[C@@H]2C1 ZINC000045364304 175362477 /nfs/dbraw/zinc/36/24/77/175362477.db2.gz GVOAUDVOHJXUJO-HNNXBMFYSA-N 1 2 276.355 2.367 1 0 CEAFLO C[C@H](O)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000143853048 136392959 /nfs/dbraw/zinc/39/29/59/136392959.db2.gz KNQNDRIJHNYXGG-JTQLQIEISA-N 1 2 274.286 2.166 1 0 CEAFLO C[NH2+][C@H]1N(OC)c2ccccc2[C@@]12CN=C(SC)S2 ZINC000040379913 174250227 /nfs/dbraw/zinc/25/02/27/174250227.db2.gz WMDNIMJVDIAJTC-AAEUAGOBSA-N 1 2 295.433 2.275 1 0 CEAFLO COC(=O)CCCC1=[NH+]CCc2cc(OC)c(OC)cc21 ZINC000084669431 178911185 /nfs/dbraw/zinc/91/11/85/178911185.db2.gz KQWBVBKASOXVHZ-UHFFFAOYSA-N 1 2 291.347 2.392 1 0 CEAFLO O[C@@H]1c2ccc(F)cc2S[C@@H]1Cn1cc[nH+]c1 ZINC000027408410 361653040 /nfs/dbraw/zinc/65/30/40/361653040.db2.gz ZRMGJIXOXLNGAE-VXGBXAGGSA-N 1 2 250.298 2.230 1 0 CEAFLO Nc1ccc(-c2ccc3c(N)nc(N)[nH+]c3c2)cc1 ZINC000072118424 176319187 /nfs/dbraw/zinc/31/91/87/176319187.db2.gz VDZFKJHFXFCADG-UHFFFAOYSA-N 1 2 251.293 2.043 1 0 CEAFLO