smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000155809585 347988476 /nfs/dbraw/zinc/98/84/76/347988476.db2.gz AJPHWXIWMXEWSO-OCCSQVGLSA-N 0 3 251.370 2.840 50 10 CFCAHN COc1cccc(C[N@H+](C)[C@@H](C)Cc2ccccn2)c1[O-] ZINC000065395139 373864350 /nfs/dbraw/zinc/86/43/50/373864350.db2.gz IFAIRVLRBVVQPL-ZDUSSCGKSA-N 0 3 286.375 2.859 50 10 CFCAHN COc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccccn2)c1[O-] ZINC000065395139 373864358 /nfs/dbraw/zinc/86/43/58/373864358.db2.gz IFAIRVLRBVVQPL-ZDUSSCGKSA-N 0 3 286.375 2.859 50 10 CFCAHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000180838876 380704316 /nfs/dbraw/zinc/70/43/16/380704316.db2.gz NEQBYYYDHYOBOA-DZGCQCFKSA-N 0 3 297.395 2.676 50 10 CFCAHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000180838911 380704649 /nfs/dbraw/zinc/70/46/49/380704649.db2.gz NEQBYYYDHYOBOA-ZFWWWQNUSA-N 0 3 297.395 2.676 50 10 CFCAHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000009883809 170388849 /nfs/dbraw/zinc/38/88/49/170388849.db2.gz HCJBVCMCCSPLBC-UHFFFAOYSA-N 0 3 263.337 2.885 50 10 CFCAHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000009883809 170388851 /nfs/dbraw/zinc/38/88/51/170388851.db2.gz HCJBVCMCCSPLBC-UHFFFAOYSA-N 0 3 263.337 2.885 50 10 CFCAHN Cc1cc(O)c(CN2CCN(c3ccccn3)CC2)cc1C ZINC000007074606 420500699 /nfs/dbraw/zinc/50/06/99/420500699.db2.gz BJWBUWCLLXTPTM-UHFFFAOYSA-N 0 3 297.402 2.726 50 10 CFCAHN CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/C=C/N(C)C ZINC000004117692 278511073 /nfs/dbraw/zinc/51/10/73/278511073.db2.gz DRFYKMQMGSHPPW-XYNPZBRDSA-N 0 3 281.359 2.967 50 10 CFCAHN COc1ccc(O)c([C@H](C)NCc2c(C)n[nH]c2C)c1 ZINC000585139882 348736690 /nfs/dbraw/zinc/73/66/90/348736690.db2.gz BFCIWYRSGXRCHO-VIFPVBQESA-N 0 3 275.352 2.592 50 10 CFCAHN O=[N+]([O-])c1ccc([C@H]2C[NH2+][C@@H](c3ccccc3[O-])O2)cc1 ZINC000019798884 372190745 /nfs/dbraw/zinc/19/07/45/372190745.db2.gz PBOFWEIDAMJOSD-HUUCEWRRSA-N 0 3 286.287 2.660 50 10 CFCAHN [O-]c1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000062183918 373754189 /nfs/dbraw/zinc/75/41/89/373754189.db2.gz JKOPKXXOMUQKCP-UHFFFAOYSA-N 0 3 268.360 2.714 50 10 CFCAHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCCC2)cc1 ZINC000097159313 375532055 /nfs/dbraw/zinc/53/20/55/375532055.db2.gz ZGNGMRYZRQXMRI-UHFFFAOYSA-N 0 3 284.407 2.917 50 10 CFCAHN CC[C@H]([NH2+]CC1(OC)CCOCC1)c1ccccc1[O-] ZINC000156829623 188283591 /nfs/dbraw/zinc/28/35/91/188283591.db2.gz ZKWXKHIRMRKECH-AWEZNQCLSA-N 0 3 279.380 2.629 50 10 CFCAHN Cc1cnn([C@H](C)[C@H](C)NCc2ccc3c(c2)CCO3)c1 ZINC000069458736 374066511 /nfs/dbraw/zinc/06/65/11/374066511.db2.gz TYHHQEFLQBMPCE-UONOGXRCSA-N 0 3 285.391 2.866 50 10 CFCAHN CC[C@H]([NH2+][C@H]1CCCC[C@H]1C(=O)NC)c1ccccc1[O-] ZINC000252537736 383417763 /nfs/dbraw/zinc/41/77/63/383417763.db2.gz MEGVWQYWCCYYOG-ILXRZTDVSA-N 0 3 290.407 2.738 50 10 CFCAHN CN(Cc1cccc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000007077620 170266661 /nfs/dbraw/zinc/26/66/61/170266661.db2.gz VXONBYWXAYSOBM-UHFFFAOYSA-N 0 3 289.306 2.892 50 10 CFCAHN CN(C)c1ccc(CN(C)C[C@H](O)c2ccccc2)cc1 ZINC000000212976 371559752 /nfs/dbraw/zinc/55/97/52/371559752.db2.gz MGHZLJPJHULQJJ-SFHVURJKSA-N 0 3 284.403 2.918 50 10 CFCAHN COc1cc2c(cc1OC)[C@H](c1ccccc1[O-])[NH2+]CC2 ZINC000000034445 371512324 /nfs/dbraw/zinc/51/23/24/371512324.db2.gz MHCUVSNFIKUPME-KRWDZBQOSA-N 0 3 285.343 2.645 50 10 CFCAHN C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](C)n1cccn1 ZINC000069418477 374062140 /nfs/dbraw/zinc/06/21/40/374062140.db2.gz FBJQAANNVUPZEF-CHWSQXEVSA-N 0 3 271.364 2.557 50 10 CFCAHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000180838857 380703950 /nfs/dbraw/zinc/70/39/50/380703950.db2.gz NEQBYYYDHYOBOA-UKRRQHHQSA-N 0 3 297.395 2.676 50 10 CFCAHN CNC(=O)C[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)ccc1[O-] ZINC000067678096 175783232 /nfs/dbraw/zinc/78/32/32/175783232.db2.gz ORPBOCPNBAONHJ-LBPRGKRZSA-N 0 3 292.423 2.646 50 10 CFCAHN CNC(=O)C[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)ccc1[O-] ZINC000067678096 175783233 /nfs/dbraw/zinc/78/32/33/175783233.db2.gz ORPBOCPNBAONHJ-LBPRGKRZSA-N 0 3 292.423 2.646 50 10 CFCAHN COc1ccc(O)c([C@@H](C)NCc2c(C)n[nH]c2C)c1 ZINC000585139881 348736523 /nfs/dbraw/zinc/73/65/23/348736523.db2.gz BFCIWYRSGXRCHO-SECBINFHSA-N 0 3 275.352 2.592 50 10 CFCAHN Cc1cc(O)c(CN(C)Cc2ccc(C(N)=O)cc2)cc1C ZINC000036395766 372578494 /nfs/dbraw/zinc/57/84/94/372578494.db2.gz AHUZVAIBSMZQHC-UHFFFAOYSA-N 0 3 298.386 2.740 50 10 CFCAHN Cc1cnn([C@H](C)[C@@H](C)NCc2ccc3c(c2)CCO3)c1 ZINC000069458731 374065723 /nfs/dbraw/zinc/06/57/23/374065723.db2.gz TYHHQEFLQBMPCE-ZIAGYGMSSA-N 0 3 285.391 2.866 50 10 CFCAHN Cc1cnn(CCNCc2ccc(N3CCCCC3)cc2)c1 ZINC000069900870 374109247 /nfs/dbraw/zinc/10/92/47/374109247.db2.gz GWLULIDOWPASOZ-UHFFFAOYSA-N 0 3 298.434 2.972 50 10 CFCAHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1C ZINC000093644181 375281155 /nfs/dbraw/zinc/28/11/55/375281155.db2.gz XLHUNOZTGQWCHW-GDBMZVCRSA-N 0 3 276.424 2.924 50 10 CFCAHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1C ZINC000093644181 375281157 /nfs/dbraw/zinc/28/11/57/375281157.db2.gz XLHUNOZTGQWCHW-GDBMZVCRSA-N 0 3 276.424 2.924 50 10 CFCAHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)N(C)C)cc1 ZINC000005097789 170066054 /nfs/dbraw/zinc/06/60/54/170066054.db2.gz WJBHSURBFBMKMY-HNNXBMFYSA-N 0 3 291.439 2.518 50 10 CFCAHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](O)C3)c2c1 ZINC000007012047 170262406 /nfs/dbraw/zinc/26/24/06/170262406.db2.gz FZUKLFWELVZTAO-CYBMUJFWSA-N 0 3 287.359 2.511 50 10 CFCAHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](O)C3)c2c1 ZINC000007012047 170262407 /nfs/dbraw/zinc/26/24/07/170262407.db2.gz FZUKLFWELVZTAO-CYBMUJFWSA-N 0 3 287.359 2.511 50 10 CFCAHN CN(C)c1ccc(CN(C)C[C@@H](O)c2ccccc2)cc1 ZINC000000212988 371558499 /nfs/dbraw/zinc/55/84/99/371558499.db2.gz MGHZLJPJHULQJJ-GOSISDBHSA-N 0 3 284.403 2.918 50 10 CFCAHN COc1cc2c(cc1OC)CN(Cc1ccccc1O)CC2 ZINC000023281577 372256755 /nfs/dbraw/zinc/25/67/55/372256755.db2.gz MMIOHRVRVCOZTM-UHFFFAOYSA-N 0 3 299.370 2.968 50 10 CFCAHN C[C@H](CCc1cccn1C)[NH2+]Cc1ccccc1[O-] ZINC000095961940 185044518 /nfs/dbraw/zinc/04/45/18/185044518.db2.gz FAGOAOSEJLIRFM-CYBMUJFWSA-N 0 3 258.365 2.842 50 10 CFCAHN CCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000019609150 372178670 /nfs/dbraw/zinc/17/86/70/372178670.db2.gz JYMYVEBUGJDRMF-UHFFFAOYSA-N 0 3 270.376 2.683 50 10 CFCAHN CN(CC(=O)N1CCCC1)Cc1c(O)ccc2ccccc21 ZINC000032906692 372473558 /nfs/dbraw/zinc/47/35/58/372473558.db2.gz REGRZBKCSQZMGE-UHFFFAOYSA-N 0 3 298.386 2.600 50 10 CFCAHN c1cc(CNCc2ccc3c(c2)OCO3)cc2c1OCC2 ZINC000037362771 173151767 /nfs/dbraw/zinc/15/17/67/173151767.db2.gz FHDXBEACWRHZLL-UHFFFAOYSA-N 0 3 283.327 2.640 50 10 CFCAHN CC(C)n1ccnc1-c1ccc([O-])c(C[NH+](C)C)c1 ZINC000071760400 176261433 /nfs/dbraw/zinc/26/14/33/176261433.db2.gz WTSNENLYTNNXCF-UHFFFAOYSA-N 0 3 259.353 2.898 50 10 CFCAHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000228558305 524762254 /nfs/dbraw/zinc/76/22/54/524762254.db2.gz BNIWOVRHDHNZMA-GHMZBOCLSA-N 0 3 267.394 2.805 50 10 CFCAHN CC[C@H]([NH2+][C@H]1CCc2nc(C)cn2C1)c1ccccc1[O-] ZINC000155518370 188212271 /nfs/dbraw/zinc/21/22/71/188212271.db2.gz VOYDZZPERZUGIS-ZFWWWQNUSA-N 0 3 285.391 2.953 50 10 CFCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CC1)OCCO2 ZINC000016525828 372108795 /nfs/dbraw/zinc/10/87/95/372108795.db2.gz ZZICSVHVIDUMBD-UHFFFAOYSA-N 0 3 299.370 2.884 50 10 CFCAHN COc1ccc(CC[NH2+]Cc2ccccc2[O-])cc1 ZINC000006787324 170243612 /nfs/dbraw/zinc/24/36/12/170243612.db2.gz LQWKWTBJJOWQKM-UHFFFAOYSA-N 0 3 257.333 2.733 50 10 CFCAHN COC(=O)c1cc2ccccc2c(C[NH+]2CCCC2)c1[O-] ZINC000008061789 170316918 /nfs/dbraw/zinc/31/69/18/170316918.db2.gz VSHPWKMZWHLUDE-UHFFFAOYSA-N 0 3 285.343 2.928 50 10 CFCAHN CN(CCOc1ccccc1)Cc1ccc(N)cc1 ZINC000043458262 175050560 /nfs/dbraw/zinc/05/05/60/175050560.db2.gz SRWKAPLMXXGYPA-UHFFFAOYSA-N 0 3 256.349 2.780 50 10 CFCAHN CN1CCC([N@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000023281731 618359255 /nfs/dbraw/zinc/35/92/55/618359255.db2.gz CJQDFRPOAMYCKL-UHFFFAOYSA-N 0 3 268.788 2.572 50 10 CFCAHN CN1CCC([N@@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000023281731 618359259 /nfs/dbraw/zinc/35/92/59/618359259.db2.gz CJQDFRPOAMYCKL-UHFFFAOYSA-N 0 3 268.788 2.572 50 10 CFCAHN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(=O)NC)c1ccccc1[O-] ZINC000156817468 188282099 /nfs/dbraw/zinc/28/20/99/188282099.db2.gz MEGVWQYWCCYYOG-SOUVJXGZSA-N 0 3 290.407 2.738 50 10 CFCAHN CN(CCOc1ccccc1)Cc1ccc(O)c(O)c1 ZINC000067696463 373995132 /nfs/dbraw/zinc/99/51/32/373995132.db2.gz JRMDTEWBANWHHL-UHFFFAOYSA-N 0 3 273.332 2.609 50 10 CFCAHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](O)C3)c2c1 ZINC000007012044 170262231 /nfs/dbraw/zinc/26/22/31/170262231.db2.gz FZUKLFWELVZTAO-ZDUSSCGKSA-N 0 3 287.359 2.511 50 10 CFCAHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](O)C3)c2c1 ZINC000007012044 170262232 /nfs/dbraw/zinc/26/22/32/170262232.db2.gz FZUKLFWELVZTAO-ZDUSSCGKSA-N 0 3 287.359 2.511 50 10 CFCAHN c1nncn1Nc1c2ccccc2nc2ccccc21 ZINC000005395217 275078330 /nfs/dbraw/zinc/07/83/30/275078330.db2.gz RDPWROISXNQTBI-UHFFFAOYSA-N 0 3 261.288 2.855 50 10 CFCAHN C[C@@H](CCc1cccn1C)[NH2+]Cc1ccccc1[O-] ZINC000095961939 185044936 /nfs/dbraw/zinc/04/49/36/185044936.db2.gz FAGOAOSEJLIRFM-ZDUSSCGKSA-N 0 3 258.365 2.842 50 10 CFCAHN Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000166223 371546754 /nfs/dbraw/zinc/54/67/54/371546754.db2.gz PZWVVLZWQWIEAV-UHFFFAOYSA-N 0 3 267.376 2.591 50 10 CFCAHN CNC(=O)C[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)ccc1[O-] ZINC000067678097 373991788 /nfs/dbraw/zinc/99/17/88/373991788.db2.gz ORPBOCPNBAONHJ-GFCCVEGCSA-N 0 3 292.423 2.646 50 10 CFCAHN CNC(=O)C[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)ccc1[O-] ZINC000067678097 373991796 /nfs/dbraw/zinc/99/17/96/373991796.db2.gz ORPBOCPNBAONHJ-GFCCVEGCSA-N 0 3 292.423 2.646 50 10 CFCAHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000069563934 374075072 /nfs/dbraw/zinc/07/50/72/374075072.db2.gz HTHCXNQTTZSMPG-CYBMUJFWSA-N 0 3 294.358 2.824 50 10 CFCAHN C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000020124376 171006774 /nfs/dbraw/zinc/00/67/74/171006774.db2.gz CFHSVPVWWDEVBW-NSHDSACASA-N 0 3 271.316 2.972 50 10 CFCAHN Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019279052 372154844 /nfs/dbraw/zinc/15/48/44/372154844.db2.gz NQGOTIAYUKPHTA-UHFFFAOYSA-N 0 3 281.403 2.587 50 10 CFCAHN [O-]c1ccccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000058158260 373627552 /nfs/dbraw/zinc/62/75/52/373627552.db2.gz XNYPKAOXTLYNTI-UHFFFAOYSA-N 0 3 283.375 2.677 50 10 CFCAHN Oc1ccccc1CN1CCN(Cc2ccccc2)CC1 ZINC000022586720 171393360 /nfs/dbraw/zinc/39/33/60/171393360.db2.gz UNQREPXQZNBLKO-UHFFFAOYSA-N 0 3 282.387 2.710 50 10 CFCAHN CCN1CCC/C1=C\C=C1\SC(=S)N(CC)C1=O ZINC000031332101 276152524 /nfs/dbraw/zinc/15/25/24/276152524.db2.gz KKACEFKPAJPBRW-AMMQDNIMSA-N 0 3 282.434 2.750 50 10 CFCAHN Cc1n[nH]cc1CNCc1ccc(N2CCCC2)cc1 ZINC000038011445 540090065 /nfs/dbraw/zinc/09/00/65/540090065.db2.gz CINQHZFLXOMAGG-UHFFFAOYSA-N 0 3 270.380 2.608 50 10 CFCAHN c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000020086578 372227032 /nfs/dbraw/zinc/22/70/32/372227032.db2.gz PCJZRZBHARWHHR-UHFFFAOYSA-N 0 3 282.387 2.813 50 10 CFCAHN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCN1C ZINC000067884991 374012681 /nfs/dbraw/zinc/01/26/81/374012681.db2.gz BBTCAQFPANWOHS-ZDUSSCGKSA-N 0 3 276.424 2.826 50 10 CFCAHN CC(C)N1CCN(CCCSc2nccs2)CC1 ZINC000188301813 382387562 /nfs/dbraw/zinc/38/75/62/382387562.db2.gz MTCWTBXWJZKPSB-UHFFFAOYSA-N 0 3 285.482 2.651 50 10 CFCAHN CN(C)c1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000004865913 170032879 /nfs/dbraw/zinc/03/28/79/170032879.db2.gz KTUGGTLBCWQXLA-UHFFFAOYSA-N 0 3 284.359 2.771 50 10 CFCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(O)CC1 ZINC000009995929 170393541 /nfs/dbraw/zinc/39/35/41/170393541.db2.gz ZEYYVUSRAMNEDR-UHFFFAOYSA-N 0 3 257.333 2.502 50 10 CFCAHN CNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000057503908 175597237 /nfs/dbraw/zinc/59/72/37/175597237.db2.gz BIVAFZZGUJDHEE-UHFFFAOYSA-N 0 3 298.386 2.503 50 10 CFCAHN CN(C)c1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000078552631 177353480 /nfs/dbraw/zinc/35/34/80/177353480.db2.gz FWHNSCAVYAOYKU-UHFFFAOYSA-N 0 3 282.387 2.977 50 10 CFCAHN COc1ccc(C[N@@H+]2CCc3ccccc3C2)c([O-])c1 ZINC000000757265 651113820 /nfs/dbraw/zinc/11/38/20/651113820.db2.gz PWUJXGZZFRFQIZ-UHFFFAOYSA-N 0 3 269.344 2.959 50 10 CFCAHN COc1ccc(C[N@H+]2CCc3ccccc3C2)c([O-])c1 ZINC000000757265 651113822 /nfs/dbraw/zinc/11/38/22/651113822.db2.gz PWUJXGZZFRFQIZ-UHFFFAOYSA-N 0 3 269.344 2.959 50 10 CFCAHN CCN(CC)c1ccc(CN2CCN(CC)CC2)cc1 ZINC000019633005 372179074 /nfs/dbraw/zinc/17/90/74/372179074.db2.gz JQIFAVDIUNKICQ-UHFFFAOYSA-N 0 3 275.440 2.670 50 10 CFCAHN COc1cc(N2CCNCC2)ccc1OCc1ccccc1 ZINC000016697005 372118386 /nfs/dbraw/zinc/11/83/86/372118386.db2.gz MWCMKTVYZSKEDS-UHFFFAOYSA-N 0 3 298.386 2.684 50 10 CFCAHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000027537822 372343289 /nfs/dbraw/zinc/34/32/89/372343289.db2.gz ITEKRGHJHCTCAE-ZDUSSCGKSA-N 0 3 272.348 2.551 50 10 CFCAHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000027537822 372343294 /nfs/dbraw/zinc/34/32/94/372343294.db2.gz ITEKRGHJHCTCAE-ZDUSSCGKSA-N 0 3 272.348 2.551 50 10 CFCAHN C[C@@H](NCc1ccc2c(c1)CCO2)[C@H](C)n1cccn1 ZINC000069418480 278357658 /nfs/dbraw/zinc/35/76/58/278357658.db2.gz FBJQAANNVUPZEF-OLZOCXBDSA-N 0 3 271.364 2.557 50 10 CFCAHN Nc1ccc(CCc2nc3ccc(N)cc3[nH]2)cc1 ZINC000000241730 371566456 /nfs/dbraw/zinc/56/64/56/371566456.db2.gz ZWAWQNGKGSYBNO-UHFFFAOYSA-N 0 3 252.321 2.513 50 10 CFCAHN CN1Cc2sccc2[C@@H](c2ccc(O)c(O)c2)C1 ZINC000025758422 372306694 /nfs/dbraw/zinc/30/66/94/372306694.db2.gz SYHALWYYSDMSLE-LLVKDONJSA-N 0 3 261.346 2.737 50 10 CFCAHN COc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1 ZINC000055142221 373541250 /nfs/dbraw/zinc/54/12/50/373541250.db2.gz AMLQZZBLFDQKKD-UHFFFAOYSA-N 0 3 298.386 2.723 50 10 CFCAHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000228558293 524761951 /nfs/dbraw/zinc/76/19/51/524761951.db2.gz BNIWOVRHDHNZMA-MNOVXSKESA-N 0 3 267.394 2.805 50 10 CFCAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000000238155 371564023 /nfs/dbraw/zinc/56/40/23/371564023.db2.gz YMLXGPHEORTYAX-OAHLLOKOSA-N 0 3 290.407 2.528 50 10 CFCAHN Cc1cc([O-])c(C[NH+]2CCC([C@H](C)O)CC2)cc1C ZINC000095400111 375431297 /nfs/dbraw/zinc/43/12/97/375431297.db2.gz CZGRBULMLIFGDF-ZDUSSCGKSA-N 0 3 263.381 2.602 50 10 CFCAHN CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccccc2[O-])N1O ZINC000000300187 280889052 /nfs/dbraw/zinc/88/90/52/280889052.db2.gz WHHJIPZDQPPKOH-MRXNPFEDSA-N 0 3 298.342 2.874 50 10 CFCAHN CC1CCN(c2ccc(CNCc3cncn3C)cc2)CC1 ZINC000108423552 136378657 /nfs/dbraw/zinc/37/86/57/136378657.db2.gz LPSCXWDOUUNDMO-UHFFFAOYSA-N 0 3 298.434 2.946 50 10 CFCAHN CC[C@@H]([NH2+][C@H]1CCc2nc(C)cn2C1)c1ccccc1[O-] ZINC000155518485 188212417 /nfs/dbraw/zinc/21/24/17/188212417.db2.gz VOYDZZPERZUGIS-DZGCQCFKSA-N 0 3 285.391 2.953 50 10 CFCAHN CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000083843977 540185714 /nfs/dbraw/zinc/18/57/14/540185714.db2.gz QXKJICSVMCESGK-MRXNPFEDSA-N 0 3 298.386 2.598 50 10 CFCAHN CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000083843977 540185716 /nfs/dbraw/zinc/18/57/16/540185716.db2.gz QXKJICSVMCESGK-MRXNPFEDSA-N 0 3 298.386 2.598 50 10 CFCAHN O=[N+]([O-])c1ccc([C@@H]2C[NH2+][C@@H](c3ccccc3[O-])O2)cc1 ZINC000019798881 372190357 /nfs/dbraw/zinc/19/03/57/372190357.db2.gz PBOFWEIDAMJOSD-LSDHHAIUSA-N 0 3 286.287 2.660 50 10 CFCAHN CC[N@@H+](Cc1cccc(OC)c1[O-])CC1CCOCC1 ZINC000065408335 373868492 /nfs/dbraw/zinc/86/84/92/373868492.db2.gz ULULNBKIMJRNPT-UHFFFAOYSA-N 0 3 279.380 2.649 50 10 CFCAHN CC[N@H+](Cc1cccc(OC)c1[O-])CC1CCOCC1 ZINC000065408335 373868496 /nfs/dbraw/zinc/86/84/96/373868496.db2.gz ULULNBKIMJRNPT-UHFFFAOYSA-N 0 3 279.380 2.649 50 10 CFCAHN OC[C@]1(NCc2ccc3c(c2)CCO3)CCc2ccccc21 ZINC000095429776 285297543 /nfs/dbraw/zinc/29/75/43/285297543.db2.gz WPKCANWHDKXZSZ-LJQANCHMSA-N 0 3 295.382 2.545 50 10 CFCAHN COc1cccc(CN2CCc3ccccc3C2)c1O ZINC000004988098 170049350 /nfs/dbraw/zinc/04/93/50/170049350.db2.gz PDTWQCNZTZEEIZ-UHFFFAOYSA-N 0 3 269.344 2.959 50 10 CFCAHN CN(Cc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000007141555 170268696 /nfs/dbraw/zinc/26/86/96/170268696.db2.gz RPGNHNFUKIVXSB-UHFFFAOYSA-N 0 3 289.306 2.892 50 10 CFCAHN CC[C@H](NCc1c(C)nn(C)c1OC)c1ccccc1O ZINC000158124770 348005005 /nfs/dbraw/zinc/00/50/05/348005005.db2.gz MHATWDOWTKFQLF-AWEZNQCLSA-N 0 3 289.379 2.684 50 10 CFCAHN CC[C@@H](NCc1c(C)nn(C)c1OC)c1ccccc1O ZINC000158124912 348005159 /nfs/dbraw/zinc/00/51/59/348005159.db2.gz MHATWDOWTKFQLF-CQSZACIVSA-N 0 3 289.379 2.684 50 10 CFCAHN O=[N+]([O-])c1ccc([C@H]2C[NH2+][C@H](c3ccccc3[O-])O2)cc1 ZINC000019798886 372189912 /nfs/dbraw/zinc/18/99/12/372189912.db2.gz PBOFWEIDAMJOSD-CABCVRRESA-N 0 3 286.287 2.660 50 10 CFCAHN Cc1cnn([C@@H](C)[C@H](C)NCc2ccc3c(c2)CCO3)c1 ZINC000069458734 374066258 /nfs/dbraw/zinc/06/62/58/374066258.db2.gz TYHHQEFLQBMPCE-KBPBESRZSA-N 0 3 285.391 2.866 50 10 CFCAHN C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000020124375 171006700 /nfs/dbraw/zinc/00/67/00/171006700.db2.gz CFHSVPVWWDEVBW-LLVKDONJSA-N 0 3 271.316 2.972 50 10 CFCAHN CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000155809701 347988660 /nfs/dbraw/zinc/98/86/60/347988660.db2.gz AJPHWXIWMXEWSO-GXTWGEPZSA-N 0 3 251.370 2.840 50 10 CFCAHN COc1ccc(N2CCN(CCCSC)[C@H](C)C2)cc1 ZINC000072168302 374234633 /nfs/dbraw/zinc/23/46/33/374234633.db2.gz FZHPKJRDDJMVEO-CQSZACIVSA-N 0 3 294.464 2.959 50 10 CFCAHN COc1cc2c(cc1OC)[C@@H](c1ccccc1[O-])[NH2+]CC2 ZINC000000034444 169511808 /nfs/dbraw/zinc/51/18/08/169511808.db2.gz MHCUVSNFIKUPME-QGZVFWFLSA-N 0 3 285.343 2.645 50 10 CFCAHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](O)C1 ZINC000007011661 170262369 /nfs/dbraw/zinc/26/23/69/170262369.db2.gz VILKJYVGSKHXON-ZDUSSCGKSA-N 0 3 257.333 2.502 50 10 CFCAHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](O)C1 ZINC000007011661 170262371 /nfs/dbraw/zinc/26/23/71/170262371.db2.gz VILKJYVGSKHXON-ZDUSSCGKSA-N 0 3 257.333 2.502 50 10 CFCAHN COc1ccc(CNCc2ccc(N(C)C)cc2)cc1O ZINC000020146007 171032084 /nfs/dbraw/zinc/03/20/84/171032084.db2.gz DRZPNMJOANVXNN-UHFFFAOYSA-N 0 3 286.375 2.757 50 10 CFCAHN CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000155809809 347988647 /nfs/dbraw/zinc/98/86/47/347988647.db2.gz AJPHWXIWMXEWSO-TZMCWYRMSA-N 0 3 251.370 2.840 50 10 CFCAHN COc1ccc(CNCc2ccc3c(c2)CCO3)cc1OC ZINC000107828171 186193931 /nfs/dbraw/zinc/19/39/31/186193931.db2.gz RQFUALDHHPPYQG-UHFFFAOYSA-N 0 3 299.370 2.929 50 10 CFCAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc3c(c2)CCO3)c1 ZINC000069458728 374065234 /nfs/dbraw/zinc/06/52/34/374065234.db2.gz TYHHQEFLQBMPCE-KGLIPLIRSA-N 0 3 285.391 2.866 50 10 CFCAHN OC[C@@]1(NCc2ccc3c(c2)CCO3)CCc2ccccc21 ZINC000095429775 375444947 /nfs/dbraw/zinc/44/49/47/375444947.db2.gz WPKCANWHDKXZSZ-IBGZPJMESA-N 0 3 295.382 2.545 50 10 CFCAHN CCOC(=O)C1CC[NH+](Cc2c(C)cc(C)cc2[O-])CC1 ZINC000006594720 170218034 /nfs/dbraw/zinc/21/80/34/170218034.db2.gz KCYLQZXXVAINKU-UHFFFAOYSA-N 0 3 291.391 2.784 50 10 CFCAHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000228558310 524771765 /nfs/dbraw/zinc/77/17/65/524771765.db2.gz BNIWOVRHDHNZMA-WDEREUQCSA-N 0 3 267.394 2.805 50 10 CFCAHN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)cn2C1)c1ccccc1[O-] ZINC000155518306 188212390 /nfs/dbraw/zinc/21/23/90/188212390.db2.gz VOYDZZPERZUGIS-UKRRQHHQSA-N 0 3 285.391 2.953 50 10 CFCAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000000238150 371565191 /nfs/dbraw/zinc/56/51/91/371565191.db2.gz YMLXGPHEORTYAX-HNNXBMFYSA-N 0 3 290.407 2.528 50 10 CFCAHN O=[N+]([O-])c1ccc([C@@H]2C[NH2+][C@H](c3ccccc3[O-])O2)cc1 ZINC000019798883 372190112 /nfs/dbraw/zinc/19/01/12/372190112.db2.gz PBOFWEIDAMJOSD-GJZGRUSLSA-N 0 3 286.287 2.660 50 10 CFCAHN Cn1c(/C=C/C=C/N2CCCC2)nc2ccccc2c1=O ZINC000059602423 373684133 /nfs/dbraw/zinc/68/41/33/373684133.db2.gz IPVUQJUHRMMYAN-ZVSIBQGLSA-N 0 3 281.359 2.556 50 10 CFCAHN C[N@H+](Cc1cc(F)ccc1[O-])CC1(CO)CCCC1 ZINC000067921788 374014756 /nfs/dbraw/zinc/01/47/56/374014756.db2.gz AMAHPQWIXFBKMD-UHFFFAOYSA-N 0 3 267.344 2.516 50 10 CFCAHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1(CO)CCCC1 ZINC000067921788 374014768 /nfs/dbraw/zinc/01/47/68/374014768.db2.gz AMAHPQWIXFBKMD-UHFFFAOYSA-N 0 3 267.344 2.516 50 10 CFCAHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000180838893 380704096 /nfs/dbraw/zinc/70/40/96/380704096.db2.gz NEQBYYYDHYOBOA-HIFRSBDPSA-N 0 3 297.395 2.676 50 10 CFCAHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](O)C1 ZINC000007011662 170262244 /nfs/dbraw/zinc/26/22/44/170262244.db2.gz VILKJYVGSKHXON-CYBMUJFWSA-N 0 3 257.333 2.502 50 10 CFCAHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000007011662 170262245 /nfs/dbraw/zinc/26/22/45/170262245.db2.gz VILKJYVGSKHXON-CYBMUJFWSA-N 0 3 257.333 2.502 50 10 CFCAHN COc1ccccc1N1CCN(Cc2ccccc2O)CC1 ZINC000055292350 524557193 /nfs/dbraw/zinc/55/71/93/524557193.db2.gz RGOCWRJQFQNXHM-UHFFFAOYSA-N 0 3 298.386 2.723 50 10 CFCAHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000228558298 524771471 /nfs/dbraw/zinc/77/14/71/524771471.db2.gz BNIWOVRHDHNZMA-QWRGUYRKSA-N 0 3 267.394 2.805 50 10 CFCAHN CC[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000095985120 185055613 /nfs/dbraw/zinc/05/56/13/185055613.db2.gz MSUGKHJQDFXLBI-OAHLLOKOSA-N 0 3 290.407 2.882 50 10 CFCAHN Cc1cccc(N2CCN(Cc3ccc(N)cc3)CC2)c1 ZINC000019386994 372157854 /nfs/dbraw/zinc/15/78/54/372157854.db2.gz KHQHXBNAKCNBCB-UHFFFAOYSA-N 0 3 281.403 2.899 50 10 CFCAHN CCCN1CCCc2cc(CNCCOC)ccc21 ZINC000032919787 372476563 /nfs/dbraw/zinc/47/65/63/372476563.db2.gz WDTYYYHJDYGTKB-UHFFFAOYSA-N 0 3 262.397 2.585 50 10 CFCAHN CC[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000095985119 185055070 /nfs/dbraw/zinc/05/50/70/185055070.db2.gz MSUGKHJQDFXLBI-HNNXBMFYSA-N 0 3 290.407 2.882 50 10 CFCAHN CC[N@H+](CCN(C)C)Cc1cc(-c2cccnc2)ccc1[O-] ZINC000020211353 171074844 /nfs/dbraw/zinc/07/48/44/171074844.db2.gz HLWFSGULZMJZKN-UHFFFAOYSA-N 0 3 299.418 2.838 50 10 CFCAHN CC[N@@H+](CCN(C)C)Cc1cc(-c2cccnc2)ccc1[O-] ZINC000020211353 171074847 /nfs/dbraw/zinc/07/48/47/171074847.db2.gz HLWFSGULZMJZKN-UHFFFAOYSA-N 0 3 299.418 2.838 50 10 CFCAHN CC1CC[NH+](Cc2c([O-])ccc3c2CCC(=O)N3)CC1 ZINC000015525093 275941439 /nfs/dbraw/zinc/94/14/39/275941439.db2.gz GXEMRDCFTQYSQJ-UHFFFAOYSA-N 0 3 274.364 2.509 50 10 CFCAHN COc1cccc(CN2CCN(c3ccccc3)CC2)c1O ZINC000057537496 373598376 /nfs/dbraw/zinc/59/83/76/373598376.db2.gz VEKVWLDGESNUCV-UHFFFAOYSA-N 0 3 298.386 2.723 50 10 CFCAHN COc1cccc(CN(C)[C@H](C)c2ccncc2)c1O ZINC000065384257 373862204 /nfs/dbraw/zinc/86/22/04/373862204.db2.gz JSBWVDDTUJCSMP-GFCCVEGCSA-N 0 3 272.348 2.989 50 10 CFCAHN C[C@H](NCc1ccc2c(c1)CCO2)[C@H](C)n1cccn1 ZINC000069418478 374062384 /nfs/dbraw/zinc/06/23/84/374062384.db2.gz FBJQAANNVUPZEF-STQMWFEESA-N 0 3 271.364 2.557 50 10 CFCAHN C[C@H]([C@H](C)NCc1ccc2c(c1)CCO2)n1cccn1 ZINC000069418474 393637064 /nfs/dbraw/zinc/63/70/64/393637064.db2.gz FBJQAANNVUPZEF-QWHCGFSZSA-N 0 3 271.364 2.557 50 10 CFCAHN COc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000004715519 170004255 /nfs/dbraw/zinc/00/42/55/170004255.db2.gz UGWRONXZBTXQLN-UHFFFAOYSA-N 0 3 273.332 2.699 50 10 CFCAHN COc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000004715519 170004256 /nfs/dbraw/zinc/00/42/56/170004256.db2.gz UGWRONXZBTXQLN-UHFFFAOYSA-N 0 3 273.332 2.699 50 10 CFCAHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)N(C)C)cc1 ZINC000005097790 170065638 /nfs/dbraw/zinc/06/56/38/170065638.db2.gz WJBHSURBFBMKMY-OAHLLOKOSA-N 0 3 291.439 2.518 50 10 CFCAHN COc1cccc(CNCc2ccc(F)cc2F)c1O ZINC000040477123 174283089 /nfs/dbraw/zinc/28/30/89/174283089.db2.gz VBUAIXHKTNHEFY-UHFFFAOYSA-N 0 3 279.286 2.969 50 10 CFCAHN CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1ccccc1[O-] ZINC000156829767 188283416 /nfs/dbraw/zinc/28/34/16/188283416.db2.gz ZKWXKHIRMRKECH-CQSZACIVSA-N 0 3 279.380 2.629 50 10 CFCAHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000083843975 540185686 /nfs/dbraw/zinc/18/56/86/540185686.db2.gz QXKJICSVMCESGK-INIZCTEOSA-N 0 3 298.386 2.598 50 10 CFCAHN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000083843975 540185688 /nfs/dbraw/zinc/18/56/88/540185688.db2.gz QXKJICSVMCESGK-INIZCTEOSA-N 0 3 298.386 2.598 50 10 CFCAHN Cc1n[nH]cc1CNCc1ccc(N2CCCCC2)cc1 ZINC000037989215 372751788 /nfs/dbraw/zinc/75/17/88/372751788.db2.gz YJJBEQPBOUHXKT-UHFFFAOYSA-N 0 3 284.407 2.998 50 10 CFCAHN COc1cccc(CN(C)[C@@H](C)c2ccncc2)c1O ZINC000065384255 373862238 /nfs/dbraw/zinc/86/22/38/373862238.db2.gz JSBWVDDTUJCSMP-LBPRGKRZSA-N 0 3 272.348 2.989 50 10 CFCAHN Oc1cc2c(cc1CN1CCc3ccccc3C1)OCO2 ZINC000005066513 170063178 /nfs/dbraw/zinc/06/31/78/170063178.db2.gz YCUHIRYZHUOVFM-UHFFFAOYSA-N 0 3 283.327 2.679 50 10 CFCAHN CC[C@H]([NH2+][C@@H]1CCc2nc(C)cn2C1)c1ccccc1[O-] ZINC000155518217 188212085 /nfs/dbraw/zinc/21/20/85/188212085.db2.gz VOYDZZPERZUGIS-HIFRSBDPSA-N 0 3 285.391 2.953 50 10 CFCAHN CCOC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000000238460 371564740 /nfs/dbraw/zinc/56/47/40/371564740.db2.gz CMZWPHXJBDKOEM-UHFFFAOYSA-N 0 3 290.407 2.528 50 10 CFCAHN c1ccc(COc2ccc(N3CCNCC3)cc2)cc1 ZINC000002556736 371736528 /nfs/dbraw/zinc/73/65/28/371736528.db2.gz BSYHPGDHIZWPSR-UHFFFAOYSA-N 0 3 268.360 2.675 50 10 CFCAHN CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccccc2[O-])N1O ZINC000002865164 371760639 /nfs/dbraw/zinc/76/06/39/371760639.db2.gz WHHJIPZDQPPKOH-INIZCTEOSA-N 0 3 298.342 2.874 50 10 CFCAHN CCCCNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000004690803 371874008 /nfs/dbraw/zinc/87/40/08/371874008.db2.gz MQLZPZBKSTVHRM-UHFFFAOYSA-N 0 3 290.407 2.521 50 10 CFCAHN COc1ccc(CC[NH2+]Cc2ccccc2[O-])cc1OC ZINC000004932679 371877790 /nfs/dbraw/zinc/87/77/90/371877790.db2.gz DVWHVPFVGDDNEB-UHFFFAOYSA-N 0 3 287.359 2.742 50 10 CFCAHN CCOc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1O ZINC000060332802 373691325 /nfs/dbraw/zinc/69/13/25/373691325.db2.gz VWWCRDCNYWCDFV-DOTOQJQBSA-N 0 3 299.370 2.539 50 10 CFCAHN COc1cccc(C[N@H+](C)[C@H](C)Cc2ccccn2)c1[O-] ZINC000065395140 373863802 /nfs/dbraw/zinc/86/38/02/373863802.db2.gz IFAIRVLRBVVQPL-CYBMUJFWSA-N 0 3 286.375 2.859 50 10 CFCAHN COc1cccc(C[N@@H+](C)[C@H](C)Cc2ccccn2)c1[O-] ZINC000065395140 373863808 /nfs/dbraw/zinc/86/38/08/373863808.db2.gz IFAIRVLRBVVQPL-CYBMUJFWSA-N 0 3 286.375 2.859 50 10 CFCAHN [O-]c1ccc(F)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000067787094 374002106 /nfs/dbraw/zinc/00/21/06/374002106.db2.gz BUGVITLONHPSEV-UHFFFAOYSA-N 0 3 292.398 2.982 50 10 CFCAHN [O-]c1ccc(F)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000067787094 374002115 /nfs/dbraw/zinc/00/21/15/374002115.db2.gz BUGVITLONHPSEV-UHFFFAOYSA-N 0 3 292.398 2.982 50 10 CFCAHN c1cnn(CCNCc2ccc(N3CCCCC3)cc2)c1 ZINC000048449596 412905640 /nfs/dbraw/zinc/90/56/40/412905640.db2.gz RDRWPPMINXHQMB-UHFFFAOYSA-N 0 3 284.407 2.663 50 10 CFCAHN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCN1C ZINC000067884988 393634129 /nfs/dbraw/zinc/63/41/29/393634129.db2.gz BBTCAQFPANWOHS-CYBMUJFWSA-N 0 3 276.424 2.826 50 10 CFCAHN COCCNCc1cc(C)n(-c2ccccc2)c1C ZINC000037329013 173130381 /nfs/dbraw/zinc/13/03/81/173130381.db2.gz OCYLXJJSBDWZLK-UHFFFAOYSA-N 0 3 258.365 2.830 50 10 CFCAHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000069563931 175839460 /nfs/dbraw/zinc/83/94/60/175839460.db2.gz HTHCXNQTTZSMPG-ZDUSSCGKSA-N 0 3 294.358 2.824 50 10 CFCAHN CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000155809468 347988470 /nfs/dbraw/zinc/98/84/70/347988470.db2.gz AJPHWXIWMXEWSO-JSGCOSHPSA-N 0 3 251.370 2.840 50 10 CFCAHN CN1Cc2sccc2[C@H](c2ccc(O)c(O)c2)C1 ZINC000025758418 283256635 /nfs/dbraw/zinc/25/66/35/283256635.db2.gz SYHALWYYSDMSLE-NSHDSACASA-N 0 3 261.346 2.737 50 10 CFCAHN CCOC(=O)CCNCc1ccc(N(CC)CC)cc1 ZINC000019736879 372181796 /nfs/dbraw/zinc/18/17/96/372181796.db2.gz IZJCAHXKXUKDSG-UHFFFAOYSA-N 0 3 278.396 2.576 50 10 CFCAHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000027537821 372343908 /nfs/dbraw/zinc/34/39/08/372343908.db2.gz ITEKRGHJHCTCAE-CYBMUJFWSA-N 0 3 272.348 2.551 50 10 CFCAHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCO1 ZINC000027537821 372343915 /nfs/dbraw/zinc/34/39/15/372343915.db2.gz ITEKRGHJHCTCAE-CYBMUJFWSA-N 0 3 272.348 2.551 50 10 CFCAHN COc1ccc(N2CCN(CCCSC)[C@@H](C)C2)cc1 ZINC000072168303 374234550 /nfs/dbraw/zinc/23/45/50/374234550.db2.gz FZHPKJRDDJMVEO-AWEZNQCLSA-N 0 3 294.464 2.959 50 10 CFCAHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1C ZINC000093644182 375280583 /nfs/dbraw/zinc/28/05/83/375280583.db2.gz XLHUNOZTGQWCHW-ZBFHGGJFSA-N 0 3 276.424 2.924 50 10 CFCAHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1C ZINC000093644182 375280588 /nfs/dbraw/zinc/28/05/88/375280588.db2.gz XLHUNOZTGQWCHW-ZBFHGGJFSA-N 0 3 276.424 2.924 50 10 CFCAHN Cc1cc([O-])c(C[NH+]2CCC([C@@H](C)O)CC2)cc1C ZINC000095400110 375431754 /nfs/dbraw/zinc/43/17/54/375431754.db2.gz CZGRBULMLIFGDF-CYBMUJFWSA-N 0 3 263.381 2.602 50 10 CFCAHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C(=O)NC)c1ccccc1[O-] ZINC000252537737 383417803 /nfs/dbraw/zinc/41/78/03/383417803.db2.gz MEGVWQYWCCYYOG-QLFBSQMISA-N 0 3 290.407 2.738 50 10 CFCAHN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C(=O)NC)c1ccccc1[O-] ZINC000156817734 288087836 /nfs/dbraw/zinc/08/78/36/288087836.db2.gz MEGVWQYWCCYYOG-KKUMJFAQSA-N 0 3 290.407 2.738 50 10 CFCAHN