smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ccccc2[nH+]c1CCc1ccc(N)cc1 ZINC000000189313 371553309 /nfs/dbraw/zinc/55/33/09/371553309.db2.gz UYYUYDDKLNGZQL-UHFFFAOYSA-N 1 2 251.333 2.941 50 10 CFCALO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000019963760 372217646 /nfs/dbraw/zinc/21/76/46/372217646.db2.gz VTRCPQDFPBFTBM-JTQLQIEISA-N 1 2 276.163 2.968 50 10 CFCALO CC[C@@H](NC(=O)c1ccn2cc[nH+]c2c1)c1ccccc1O ZINC000095445922 375452258 /nfs/dbraw/zinc/45/22/58/375452258.db2.gz DNEBYIQLONRDOW-CQSZACIVSA-N 1 2 295.342 2.921 50 10 CFCALO C[NH+](C)Cc1c(O)ccc2cc(-c3ccccn3)c(=O)oc21 ZINC000005737587 261068413 /nfs/dbraw/zinc/06/84/13/261068413.db2.gz XEODWXZQCVCVJL-UHFFFAOYSA-N 1 2 296.326 2.622 50 10 CFCALO Cc1cccc(N2CCN(c3ccc([NH3+])cc3)CC2)c1 ZINC000004649826 136394215 /nfs/dbraw/zinc/39/42/15/136394215.db2.gz BWMZHVXXYOPLAK-UHFFFAOYSA-N 1 2 267.376 2.904 50 10 CFCALO Oc1c2oc3c(c2ccc1C[NH+]1CCOCC1)CCCC3 ZINC000033295342 346310606 /nfs/dbraw/zinc/31/06/06/346310606.db2.gz IFANRYFRMFAZHI-UHFFFAOYSA-N 1 2 287.359 2.849 50 10 CFCALO COc1cc([N+](=O)[O-])cc(C[NH+]2CCC(C)CC2)c1O ZINC000000212854 371558559 /nfs/dbraw/zinc/55/85/59/371558559.db2.gz PEXWMYRDWYZYIS-UHFFFAOYSA-N 1 2 280.324 2.541 50 10 CFCALO COc1ccc(CNc2[nH+]c3ccccc3n2C)c(O)c1 ZINC000000285510 371578334 /nfs/dbraw/zinc/57/83/34/371578334.db2.gz RSTMPUDLQGLADR-UHFFFAOYSA-N 1 2 283.331 2.900 50 10 CFCALO [NH3+]c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000001393230 371670227 /nfs/dbraw/zinc/67/02/27/371670227.db2.gz FQOITVYFRAXELU-UHFFFAOYSA-N 1 2 271.339 2.735 50 10 CFCALO Cc1cccc(NC2=NC(=O)C(=Cc3[nH]cc[nH+]3)S2)c1 ZINC000071888697 374229489 /nfs/dbraw/zinc/22/94/89/374229489.db2.gz SYTXZPOOICBGTN-FLIBITNWSA-N 1 2 284.344 2.801 50 10 CFCALO Cc1cc2oc(=O)cc(C)c2c(O)c1C[NH+]1CCCC1 ZINC000020412228 292026810 /nfs/dbraw/zinc/02/68/10/292026810.db2.gz ZLKLDTYJRRJRBY-UHFFFAOYSA-N 1 2 273.332 2.711 50 10 CFCALO CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000022586717 171393511 /nfs/dbraw/zinc/39/35/11/171393511.db2.gz OGHSBGOGUFBBPZ-UHFFFAOYSA-N 1 2 289.206 2.837 50 10 CFCALO O=c1oc2c(ccc(O)c2C[NH+]2CCCC2)c2c1CCC2 ZINC000000118327 280396959 /nfs/dbraw/zinc/39/69/59/280396959.db2.gz XCHZXOAINJSZCY-UHFFFAOYSA-N 1 2 285.343 2.583 50 10 CFCALO CC(C)n1cc[nH+]c1CN(C)c1ccc2c(c1)OCO2 ZINC000095975345 185050499 /nfs/dbraw/zinc/05/04/99/185050499.db2.gz HBMJQLGEBQTIBR-UHFFFAOYSA-N 1 2 273.336 2.829 50 10 CFCALO CN(C)c1ccc(C2N3CC4(C)C[NH+]2CC(C)(C3)C4)cc1 ZINC000019322750 372154593 /nfs/dbraw/zinc/15/45/93/372154593.db2.gz AJLSNOAXXISZGO-UHFFFAOYSA-N 1 2 285.435 2.799 50 10 CFCALO C[NH+](C)Cc1c(O)ccc(C(=O)Cc2ccccc2)c1O ZINC000023135293 372252263 /nfs/dbraw/zinc/25/22/63/372252263.db2.gz OWQUSNPCWARKSA-UHFFFAOYSA-N 1 2 285.343 2.585 50 10 CFCALO O=c1oc2c(ccc(O)c2C[NH+]2CCCCC2)c2c1CCC2 ZINC000000406869 296534635 /nfs/dbraw/zinc/53/46/35/296534635.db2.gz MDOPFNYQIQMZNE-UHFFFAOYSA-N 1 2 299.370 2.973 50 10 CFCALO CN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000023281562 372256588 /nfs/dbraw/zinc/25/65/88/372256588.db2.gz SFYNSFCCFYTIDQ-UHFFFAOYSA-N 1 2 277.195 2.692 50 10 CFCALO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCC(O)CC1 ZINC000023281325 372257214 /nfs/dbraw/zinc/25/72/14/372257214.db2.gz CSVGJXOMACGCKF-UHFFFAOYSA-N 1 2 276.163 2.656 50 10 CFCALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000004988124 170049673 /nfs/dbraw/zinc/04/96/73/170049673.db2.gz KUBBNQREZPYWIB-CYBMUJFWSA-N 1 2 297.782 2.963 50 10 CFCALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000004988124 170049674 /nfs/dbraw/zinc/04/96/74/170049674.db2.gz KUBBNQREZPYWIB-CYBMUJFWSA-N 1 2 297.782 2.963 50 10 CFCALO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]c2ccc(N)cc2)C1 ZINC000036075391 172431728 /nfs/dbraw/zinc/43/17/28/172431728.db2.gz SCQCXXWVNOKLOT-CYBMUJFWSA-N 1 2 277.368 2.690 50 10 CFCALO Oc1c(Cl)cc(Cl)cc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000065406917 304844098 /nfs/dbraw/zinc/84/40/98/304844098.db2.gz JWJUHSACKSXFHV-SNVBAGLBSA-N 1 2 284.146 2.657 50 10 CFCALO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000154778877 188161132 /nfs/dbraw/zinc/16/11/32/188161132.db2.gz QQOSTGSGPORIGM-CQSZACIVSA-N 1 2 291.778 2.739 50 10 CFCALO O=c1oc2c(ccc(O)c2C[NH+]2CCCC2)c2c1CCCC2 ZINC000000116743 371533764 /nfs/dbraw/zinc/53/37/64/371533764.db2.gz HBXCIPLEXAZABK-UHFFFAOYSA-N 1 2 299.370 2.973 50 10 CFCALO CCc1cc(=O)oc2cc(C)c(C[NH+]3CCCC3)c(O)c12 ZINC000005092142 170066129 /nfs/dbraw/zinc/06/61/29/170066129.db2.gz DDDYTXIDUOUJBD-UHFFFAOYSA-N 1 2 287.359 2.965 50 10 CFCALO COc1ccc2c3ccc(O)c(C[NH+](C)C)c3oc(=O)c2c1 ZINC000000490380 295278517 /nfs/dbraw/zinc/27/85/17/295278517.db2.gz KHBSYSYYSHHKHZ-UHFFFAOYSA-N 1 2 299.326 2.722 50 10 CFCALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000004988120 170049440 /nfs/dbraw/zinc/04/94/40/170049440.db2.gz KUBBNQREZPYWIB-ZDUSSCGKSA-N 1 2 297.782 2.963 50 10 CFCALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000004988120 170049442 /nfs/dbraw/zinc/04/94/42/170049442.db2.gz KUBBNQREZPYWIB-ZDUSSCGKSA-N 1 2 297.782 2.963 50 10 CFCALO COc1cccc(C[N@H+](Cc2noc(C)n2)C(C)C)c1O ZINC000065430150 373870923 /nfs/dbraw/zinc/87/09/23/373870923.db2.gz JWZZQIDEJWZYLB-UHFFFAOYSA-N 1 2 291.351 2.503 50 10 CFCALO COc1cccc(C[N@@H+](Cc2noc(C)n2)C(C)C)c1O ZINC000065430150 373870927 /nfs/dbraw/zinc/87/09/27/373870927.db2.gz JWZZQIDEJWZYLB-UHFFFAOYSA-N 1 2 291.351 2.503 50 10 CFCALO CCN1C(=O)/C(=C\c2c[nH+]cn2C(C)C)SC1=S ZINC000585136141 348735342 /nfs/dbraw/zinc/73/53/42/348735342.db2.gz SLBJNTUXLJFGQQ-BJMVGYQFSA-N 1 2 281.406 2.685 50 10 CFCALO CCCCc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C ZINC000001846141 371708000 /nfs/dbraw/zinc/70/80/00/371708000.db2.gz MUSUVMDVWQVBIN-UHFFFAOYSA-N 1 2 275.348 2.903 50 10 CFCALO C[NH+](C)Cc1c(O)ccc2c3c(c(=O)oc21)CCCCC3 ZINC000005046816 170060910 /nfs/dbraw/zinc/06/09/10/170060910.db2.gz IHXVIQPMKGRQAY-UHFFFAOYSA-N 1 2 287.359 2.829 50 10 aggregator CFCALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(N)cc2)n1 ZINC000206578656 539787639 /nfs/dbraw/zinc/78/76/39/539787639.db2.gz PJXXIUZOAZHSAZ-UHFFFAOYSA-N 1 2 271.368 2.957 50 10 CFCALO CCN(CC)c1cc(Nc2ccc(N)cc2)nc(C)[nH+]1 ZINC000206579680 539787684 /nfs/dbraw/zinc/78/76/84/539787684.db2.gz CCJZLCDWWCTSJP-UHFFFAOYSA-N 1 2 271.368 2.957 50 10 CFCALO CC(C)(C)c1cccc(C[N@@H+]2CCn3cncc3C2)c1O ZINC000072142997 374233744 /nfs/dbraw/zinc/23/37/44/374233744.db2.gz KXTAPWUNBHGHON-UHFFFAOYSA-N 1 2 285.391 2.902 50 10 CFCALO CC(C)(C)c1cccc(C[N@H+]2CCn3cncc3C2)c1O ZINC000072142997 374233754 /nfs/dbraw/zinc/23/37/54/374233754.db2.gz KXTAPWUNBHGHON-UHFFFAOYSA-N 1 2 285.391 2.902 50 10 CFCALO CC(C)(C)c1cccc(CN2CCn3c[nH+]cc3C2)c1O ZINC000072142997 374233759 /nfs/dbraw/zinc/23/37/59/374233759.db2.gz KXTAPWUNBHGHON-UHFFFAOYSA-N 1 2 285.391 2.902 50 10 CFCALO CC[C@H](NC(=O)c1ccn2cc[nH+]c2c1)c1ccccc1O ZINC000095445921 375452168 /nfs/dbraw/zinc/45/21/68/375452168.db2.gz DNEBYIQLONRDOW-AWEZNQCLSA-N 1 2 295.342 2.921 50 10 CFCALO CCN1C(=O)/C(=C/c2c[nH+]cn2C(C)C)SC1=S ZINC000606445590 351270971 /nfs/dbraw/zinc/27/09/71/351270971.db2.gz SLBJNTUXLJFGQQ-YHYXMXQVSA-N 1 2 281.406 2.685 50 10 CFCALO Nc1[nH+]cccc1COc1ccc(N2CCCC2)cc1 ZINC000408524941 380940353 /nfs/dbraw/zinc/94/03/53/380940353.db2.gz BTJATESFTHVOIK-UHFFFAOYSA-N 1 2 269.348 2.843 50 10 CFCALO Cc1cccc(NC2=NC(=O)C(=Cc3[nH]cc[nH+]3)S2)c1 ZINC000104101295 397595893 /nfs/dbraw/zinc/59/58/93/397595893.db2.gz SYTXZPOOICBGTN-DHZHZOJOSA-N 1 2 284.344 2.801 50 10 CFCALO COc1ccc(N2CCN(c3ccc([NH3+])cc3)CC2)cc1 ZINC000004651118 371869625 /nfs/dbraw/zinc/86/96/25/371869625.db2.gz VXEGSRKPIUDPQT-UHFFFAOYSA-N 1 2 283.375 2.604 50 10 in-vitro CFCALO Cc1ccccc1CC(=O)c1ccc(O)c(C[NH+](C)C)c1O ZINC000025583629 372302611 /nfs/dbraw/zinc/30/26/11/372302611.db2.gz MKJMLBQFHLEAFH-UHFFFAOYSA-N 1 2 299.370 2.893 50 10 CFCALO O=C(NCc1ccccc1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096410482 393823897 /nfs/dbraw/zinc/82/38/97/393823897.db2.gz RKPXFPUMUSBHQQ-UHFFFAOYSA-N 1 2 293.326 2.508 50 10 CFCALO Oc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022586720 171393359 /nfs/dbraw/zinc/39/33/59/171393359.db2.gz UNQREPXQZNBLKO-UHFFFAOYSA-N 1 2 282.387 2.710 50 10 CFCALO Cc1[nH]ncc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000038011445 540090061 /nfs/dbraw/zinc/09/00/61/540090061.db2.gz CINQHZFLXOMAGG-UHFFFAOYSA-N 1 2 270.380 2.608 50 10 CFCALO Oc1ccccc1CN1CCC[N@H+](Cc2ccccc2O)C1 ZINC000019324064 372156635 /nfs/dbraw/zinc/15/66/35/372156635.db2.gz DTQFEZKWSNPMLU-UHFFFAOYSA-N 1 2 298.386 2.763 50 10 CFCALO Oc1ccccc1CN1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000019324064 372156637 /nfs/dbraw/zinc/15/66/37/372156637.db2.gz DTQFEZKWSNPMLU-UHFFFAOYSA-N 1 2 298.386 2.763 50 10 CFCALO Cc1c(C)c(=O)oc2c1ccc(O)c2C[NH+]1CCCC1 ZINC000000489124 291538072 /nfs/dbraw/zinc/53/80/72/291538072.db2.gz DXSGNSQYMKLCOX-UHFFFAOYSA-N 1 2 273.332 2.711 50 10 CFCALO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188411808 382410018 /nfs/dbraw/zinc/41/00/18/382410018.db2.gz HHGZZPZYWNRITC-CYBMUJFWSA-N 1 2 291.782 2.907 50 10 CFCALO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188411808 382410020 /nfs/dbraw/zinc/41/00/20/382410020.db2.gz HHGZZPZYWNRITC-CYBMUJFWSA-N 1 2 291.782 2.907 50 10 CFCALO CN(C)c1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000005686953 170129095 /nfs/dbraw/zinc/12/90/95/170129095.db2.gz MYBHZNWJSKGXNY-UHFFFAOYSA-N 1 2 252.321 2.878 50 10 CFCALO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]c2ccc(N)cc2)C1 ZINC000036075390 172431291 /nfs/dbraw/zinc/43/12/91/172431291.db2.gz SCQCXXWVNOKLOT-ZDUSSCGKSA-N 1 2 277.368 2.690 50 10 CFCALO CC[NH+](CC)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC000000068811 371521229 /nfs/dbraw/zinc/52/12/29/371521229.db2.gz LEZMQFRAVFKJCH-UHFFFAOYSA-N 1 2 261.321 2.649 50 10 CFCALO CCc1noc(C[N@@H+](CC)Cc2cc(C)ccc2O)n1 ZINC000065406892 373868511 /nfs/dbraw/zinc/86/85/11/373868511.db2.gz RUJFNSMXSSFPJA-UHFFFAOYSA-N 1 2 275.352 2.668 50 10 CFCALO CCc1noc(C[N@H+](CC)Cc2cc(C)ccc2O)n1 ZINC000065406892 373868517 /nfs/dbraw/zinc/86/85/17/373868517.db2.gz RUJFNSMXSSFPJA-UHFFFAOYSA-N 1 2 275.352 2.668 50 10 CFCALO Cc1ncc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2O)s1 ZINC000069589591 374076833 /nfs/dbraw/zinc/07/68/33/374076833.db2.gz QIWVUVIOKSJUMP-UHFFFAOYSA-N 1 2 293.348 2.697 50 10 CFCALO Cc1ncc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2O)s1 ZINC000069589591 374076836 /nfs/dbraw/zinc/07/68/36/374076836.db2.gz QIWVUVIOKSJUMP-UHFFFAOYSA-N 1 2 293.348 2.697 50 10 CFCALO CCCc1c(C)c2ccc(O)c(C[NH+](C)C)c2oc1=O ZINC000005235514 170078624 /nfs/dbraw/zinc/07/86/24/170078624.db2.gz QOJKQPFJBNJHKE-UHFFFAOYSA-N 1 2 275.348 2.821 50 10 CFCALO CCN(CC)c1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC000072133961 176321493 /nfs/dbraw/zinc/32/14/93/176321493.db2.gz SJVNYOWRZPOMRA-UHFFFAOYSA-N 1 2 284.407 2.745 50 10 CFCALO CCN(CC)c1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC000072133961 176321495 /nfs/dbraw/zinc/32/14/95/176321495.db2.gz SJVNYOWRZPOMRA-UHFFFAOYSA-N 1 2 284.407 2.745 50 10 CFCALO Cc1cc2oc(=O)c3c(c2c(O)c1C[NH+]1CCCC1)CCC3 ZINC000026920195 372333502 /nfs/dbraw/zinc/33/35/02/372333502.db2.gz AGTPNCGVCYMGKQ-UHFFFAOYSA-N 1 2 299.370 2.892 50 10 CFCALO Cc1ccc(O)c(CNc2ccc[nH+]c2N2CCOCC2)c1 ZINC000095973734 375464910 /nfs/dbraw/zinc/46/49/10/375464910.db2.gz BIFTUWUDIIYESR-UHFFFAOYSA-N 1 2 299.374 2.544 50 10 CFCALO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCCCC1 ZINC000000140918 371541046 /nfs/dbraw/zinc/54/10/46/371541046.db2.gz DIJMIZCQAHRDQL-UHFFFAOYSA-N 1 2 273.332 2.793 50 10 CFCALO c1csc(SCC2=CSC3=[NH+]CCCN23)n1 ZINC000101126118 397593114 /nfs/dbraw/zinc/59/31/14/397593114.db2.gz WKWUBQFDCVRZOU-UHFFFAOYSA-N 1 2 269.420 2.885 50 10 CFCALO Oc1c(Cl)cc(Cl)cc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000065406918 304844072 /nfs/dbraw/zinc/84/40/72/304844072.db2.gz JWJUHSACKSXFHV-JTQLQIEISA-N 1 2 284.146 2.657 50 10 CFCALO Oc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCCC1 ZINC000020126919 171011888 /nfs/dbraw/zinc/01/18/88/171011888.db2.gz ZEYWUKNUGIIARQ-UHFFFAOYSA-N 1 2 289.206 2.884 50 10 CFCALO C[NH+](C)Cc1cc(Br)cc(Cl)c1O ZINC000019851124 282144782 /nfs/dbraw/zinc/14/47/82/282144782.db2.gz HONZMVUOKSZIHR-UHFFFAOYSA-N 1 2 264.550 2.870 50 10 CFCALO Cn1c2ccccc2[nH+]c1NCc1ccccc1O ZINC000000111387 371532729 /nfs/dbraw/zinc/53/27/29/371532729.db2.gz JMFPCHVLTFQTHZ-UHFFFAOYSA-N 1 2 253.305 2.891 50 10 CFCALO COc1ccc([NH+]2CCC(Nc3ncccn3)CC2)cc1 ZINC000065609457 373896070 /nfs/dbraw/zinc/89/60/70/373896070.db2.gz NWHUSPGAVGAOJE-UHFFFAOYSA-N 1 2 284.363 2.566 50 10 CFCALO Cc1cc2oc(=O)c3c(c2c(O)c1C[NH+](C)C)CCCC3 ZINC000004749681 292026566 /nfs/dbraw/zinc/02/65/66/292026566.db2.gz ZXEUBPGMHSIULI-UHFFFAOYSA-N 1 2 287.359 2.747 50 10 CFCALO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000019963761 170945096 /nfs/dbraw/zinc/94/50/96/170945096.db2.gz VTRCPQDFPBFTBM-SNVBAGLBSA-N 1 2 276.163 2.968 50 10 CFCALO C[N@@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000023281218 618356322 /nfs/dbraw/zinc/35/63/22/618356322.db2.gz PASAXVMGVBEUEN-UHFFFAOYSA-N 1 2 289.206 2.837 50 10 CFCALO C[N@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000023281218 618356329 /nfs/dbraw/zinc/35/63/29/618356329.db2.gz PASAXVMGVBEUEN-UHFFFAOYSA-N 1 2 289.206 2.837 50 10 CFCALO Cc1nc(Nc2ccc(N)cc2)cc(N2CCCC2)[nH+]1 ZINC000206579739 539787525 /nfs/dbraw/zinc/78/75/25/539787525.db2.gz PGHINDNKQBUJCJ-UHFFFAOYSA-N 1 2 269.352 2.711 50 10 CFCALO Cc1[nH+]c[nH]c1CNC(=O)c1c(C)c2cccc(C)c2n1C ZINC000426396341 383399001 /nfs/dbraw/zinc/39/90/01/383399001.db2.gz CWFWVSXXAQXQNB-UHFFFAOYSA-N 1 2 296.374 2.757 50 10 CFCALO CC[NH+](CC)Cc1c(O)ccc2c(C)c(C)c(=O)oc21 ZINC000005060955 170062771 /nfs/dbraw/zinc/06/27/71/170062771.db2.gz IXBUYXRTSDLLTA-UHFFFAOYSA-N 1 2 275.348 2.957 50 10 CFCALO C[NH+](C)Cc1c(O)ccc2c3ccccc3c(=O)oc21 ZINC000013512637 282144206 /nfs/dbraw/zinc/14/42/06/282144206.db2.gz NIMMKNPEOVVIMO-UHFFFAOYSA-N 1 2 269.300 2.713 50 10 CFCALO CCc1c(C)c2ccc(O)c(C[NH+]3CCCC3)c2oc1=O ZINC000005025536 170057199 /nfs/dbraw/zinc/05/71/99/170057199.db2.gz SJIHRZWWCIAYNG-UHFFFAOYSA-N 1 2 287.359 2.965 50 10 CFCALO CCCc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C ZINC000000489144 371629832 /nfs/dbraw/zinc/62/98/32/371629832.db2.gz NLNXDAFYJKVSNA-UHFFFAOYSA-N 1 2 261.321 2.513 50 10 CFCALO COc1cc(C[NH+]2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000089694654 286219242 /nfs/dbraw/zinc/21/92/42/286219242.db2.gz ROGBETYLHWQGTR-UHFFFAOYSA-N 1 2 279.380 2.531 50 10 CFCALO CC[NH+](CC)Cc1c(O)ccc2c3c(c(=O)oc21)CCC3 ZINC000005047189 279136438 /nfs/dbraw/zinc/13/64/38/279136438.db2.gz CWSLBSAUYNSGBB-UHFFFAOYSA-N 1 2 287.359 2.829 50 10 CFCALO CC(C)(C)OC(=O)N1CCC[N@@H+](c2ccc(N)cc2)CC1 ZINC000038478288 174142022 /nfs/dbraw/zinc/14/20/22/174142022.db2.gz HLPLRLFCSHYRPH-UHFFFAOYSA-N 1 2 291.395 2.716 50 10 CFCALO CC(C)(C)OC(=O)N1CCC[N@H+](c2ccc(N)cc2)CC1 ZINC000038478288 174142023 /nfs/dbraw/zinc/14/20/23/174142023.db2.gz HLPLRLFCSHYRPH-UHFFFAOYSA-N 1 2 291.395 2.716 50 10 CFCALO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188411829 382409733 /nfs/dbraw/zinc/40/97/33/382409733.db2.gz HHGZZPZYWNRITC-ZDUSSCGKSA-N 1 2 291.782 2.907 50 10 CFCALO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188411829 382409737 /nfs/dbraw/zinc/40/97/37/382409737.db2.gz HHGZZPZYWNRITC-ZDUSSCGKSA-N 1 2 291.782 2.907 50 10 CFCALO C[NH+](C)/C=C/c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000052525174 393617513 /nfs/dbraw/zinc/61/75/13/393617513.db2.gz BRXNFBXZMAJSSI-MDZDMXLPSA-N 1 2 277.323 2.994 50 10 CFCALO CCc1cc(=O)oc2c1ccc(O)c2C[NH2+]Cc1ccco1 ZINC000009134082 170364401 /nfs/dbraw/zinc/36/44/01/170364401.db2.gz VNZBGDOWOIHRGM-UHFFFAOYSA-N 1 2 299.326 2.944 50 10 CFCALO