smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cscn1 ZINC000097866372 230387588 /nfs/dbraw/zinc/38/75/88/230387588.db2.gz GOKGMOOAIBDBFN-LLVKDONJSA-N 1 2 272.373 4.082 50 0 CIAALO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cscn1 ZINC000097866372 230387589 /nfs/dbraw/zinc/38/75/89/230387589.db2.gz GOKGMOOAIBDBFN-LLVKDONJSA-N 1 2 272.373 4.082 50 0 CIAALO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2csc(C)n2)o1 ZINC000095967829 185046817 /nfs/dbraw/zinc/04/68/17/185046817.db2.gz AJRBWPQGFMQXTA-UWVGGRQHSA-N 1 2 264.394 4.019 50 0 CIAALO COc1ccc2c(c1)/C(=C\C=C1C=C[NH+](C)C=C1)C(C)=N2 ZINC000334157113 206121707 /nfs/dbraw/zinc/12/17/07/206121707.db2.gz LBSOPERNEIFODU-SOFYXZRVSA-N 1 2 278.355 4.084 50 0 CIAALO CC(C)CNc1c2ccccc2[nH+]c2c1C(=O)CC(C)(C)C2 ZINC000004955407 170045132 /nfs/dbraw/zinc/04/51/32/170045132.db2.gz MAQNSPRWKMVWBK-UHFFFAOYSA-N 1 2 296.414 4.458 50 0 CIAALO CC(C)Nc1c2ccccc2[nH+]c2c1C(=O)CC(C)(C)C2 ZINC000005003018 170053878 /nfs/dbraw/zinc/05/38/78/170053878.db2.gz ANNUYEWSMJEAOK-UHFFFAOYSA-N 1 2 282.387 4.210 50 0 CIAALO COc1cccc2c(Nc3ccc(O)cc3)cc(C)[nH+]c12 ZINC000005721954 170133214 /nfs/dbraw/zinc/13/32/14/170133214.db2.gz PPSXKQUDIKMJFU-UHFFFAOYSA-N 1 2 280.327 4.001 50 0 CIAALO CCCCCC[C@H](C)n1[nH]c(=O)c2c1[nH+]c(C)cc2C ZINC000005865425 170148462 /nfs/dbraw/zinc/14/84/62/170148462.db2.gz SXIDSPSGHYOOSV-ZDUSSCGKSA-N 1 2 275.396 4.285 50 0 CIAALO CCCOc1ccc([NH2+]CCc2ccccc2C)cc1 ZINC000019738182 170851266 /nfs/dbraw/zinc/85/12/66/170851266.db2.gz UMNANFNVLATJBJ-UHFFFAOYSA-N 1 2 269.388 4.438 50 0 CIAALO Cc1[nH]ncc1C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000058098800 567895569 /nfs/dbraw/zinc/89/55/69/567895569.db2.gz HECGVARBUOBYCK-UHFFFAOYSA-N 1 2 298.217 4.050 50 0 CIAALO Cc1ccc(C)c(NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000075093227 566935239 /nfs/dbraw/zinc/93/52/39/566935239.db2.gz GDMQFNQTQJZLAS-UHFFFAOYSA-N 1 2 291.398 4.160 50 0 CIAALO c1cn(-c2cccc(NC3CCCCCCC3)c2)c[nH+]1 ZINC000036939861 567008672 /nfs/dbraw/zinc/00/86/72/567008672.db2.gz HEECHXGVEZSIOH-UHFFFAOYSA-N 1 2 269.392 4.397 50 0 CIAALO CCc1ccc([C@@H](Nc2cc(C)[nH+]cn2)C(C)C)cc1 ZINC000170624595 567015020 /nfs/dbraw/zinc/01/50/20/567015020.db2.gz IAJQJTFTJKDHPP-KRWDZBQOSA-N 1 2 269.392 4.157 50 0 CIAALO Fc1ccc(Cn2cc[nH+]c2-c2ccccc2)c(Cl)c1 ZINC000089851387 567027953 /nfs/dbraw/zinc/02/79/53/567027953.db2.gz GKUSZHUCYBSUBQ-UHFFFAOYSA-N 1 2 286.737 4.391 50 0 CIAALO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000000216748 567073849 /nfs/dbraw/zinc/07/38/49/567073849.db2.gz JQGWOXZMLWFIPU-UHFFFAOYSA-N 1 2 290.288 4.412 50 0 CIAALO C[C@@H]1CCCC[C@H]1Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000095457164 567134111 /nfs/dbraw/zinc/13/41/11/567134111.db2.gz ARWMFMOGYPQUJU-CZUORRHYSA-N 1 2 269.392 4.078 50 0 CIAALO C[C@H]1CCCC[C@H]1Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000095457165 567134124 /nfs/dbraw/zinc/13/41/24/567134124.db2.gz ARWMFMOGYPQUJU-XJKSGUPXSA-N 1 2 269.392 4.078 50 0 CIAALO Cc1c2ccccc2n(CCc2ccc(C)[nH+]c2)c1C ZINC000000184718 567821750 /nfs/dbraw/zinc/82/17/50/567821750.db2.gz ORFHIASLPTYXJQ-UHFFFAOYSA-N 1 2 264.372 4.204 50 0 CIAALO Cc1cc2[nH+]cn(Cc3ccccc3Cl)c2cc1C ZINC000000268197 567823388 /nfs/dbraw/zinc/82/33/88/567823388.db2.gz FZIGFUZSKCLLMK-UHFFFAOYSA-N 1 2 270.763 4.355 50 0 CIAALO Cc1[nH+]c2ccccc2n1Cc1cc(C)ccc1C ZINC000000352867 567826164 /nfs/dbraw/zinc/82/61/64/567826164.db2.gz VZNDEYDIXSATQJ-UHFFFAOYSA-N 1 2 250.345 4.010 50 0 CIAALO Fc1cccc(Cl)c1C[NH2+]Cc1ccccc1Cl ZINC000000386382 567828350 /nfs/dbraw/zinc/82/83/50/567828350.db2.gz CBFMHISIMDUBRY-UHFFFAOYSA-N 1 2 284.161 4.422 50 0 CIAALO Cc1ccccc1OCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000000572572 567833913 /nfs/dbraw/zinc/83/39/13/567833913.db2.gz YKRCWFPMPVAHFW-UHFFFAOYSA-N 1 2 280.371 4.041 50 0 CIAALO c1ccc(CCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000002438112 567846050 /nfs/dbraw/zinc/84/60/50/567846050.db2.gz ODBCNXRWJIPLEA-UHFFFAOYSA-N 1 2 262.356 4.156 50 0 CIAALO Cc1cc(C)cc(OCCCCCCn2cc[nH+]c2)c1 ZINC000002895689 567850195 /nfs/dbraw/zinc/85/01/95/567850195.db2.gz MFPMUNJMPVDSPH-UHFFFAOYSA-N 1 2 272.392 4.139 50 0 CIAALO CCn1c(C)[nH+]c2cc(C(F)(F)F)c(Cl)cc21 ZINC000004420781 567857349 /nfs/dbraw/zinc/85/73/49/567857349.db2.gz ZINJVKDSCBDJRX-UHFFFAOYSA-N 1 2 262.662 4.037 50 0 CIAALO COc1cccc(Nc2cc[nH+]c3ccc(F)cc23)c1 ZINC000032607134 567863399 /nfs/dbraw/zinc/86/33/99/567863399.db2.gz UJKQXTFQDHLCSO-UHFFFAOYSA-N 1 2 268.291 4.126 50 0 CIAALO CCc1[nH+]c2ccccc2n1Cc1cccc(Cl)c1 ZINC000004426975 567866680 /nfs/dbraw/zinc/86/66/80/567866680.db2.gz OKPQMZMGCCTRKJ-UHFFFAOYSA-N 1 2 270.763 4.300 50 0 CIAALO COc1ccc(CC[NH2+]c2ccc(OCC(C)C)cc2)cc1 ZINC000019738157 567878910 /nfs/dbraw/zinc/87/89/10/567878910.db2.gz OYXZBEPRXWTQAK-UHFFFAOYSA-N 1 2 299.414 4.385 50 0 CIAALO c1c(CSc2cccc3cccnc32)[nH+]c2ccccn12 ZINC000000047233 567887261 /nfs/dbraw/zinc/88/72/61/567887261.db2.gz GKHWZBDLNHWONZ-UHFFFAOYSA-N 1 2 291.379 4.175 50 0 CIAALO Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)[nH+]1 ZINC000058163492 567895274 /nfs/dbraw/zinc/89/52/74/567895274.db2.gz NUDBCPIKWACEHL-UHFFFAOYSA-N 1 2 292.741 4.052 50 0 CIAALO CCCc1c(-c2ccccc2)[nH+]cn1CCc1ccncc1 ZINC000065430088 567898993 /nfs/dbraw/zinc/89/89/93/567898993.db2.gz BUMZPGAYFAQHCC-UHFFFAOYSA-N 1 2 291.398 4.140 50 0 CIAALO COc1cccc(O)c1-c1[nH]c2c([nH+]1)c(C)c(C)c(C)c2C ZINC000067654112 567900041 /nfs/dbraw/zinc/90/00/41/567900041.db2.gz NLRJXLIMYRJPHN-UHFFFAOYSA-N 1 2 296.370 4.178 50 0 CIAALO CO[C@@H](Cn1cc[nH+]c1-c1ccccc1C)c1cccs1 ZINC000067770733 567900569 /nfs/dbraw/zinc/90/05/69/567900569.db2.gz CPYPRXRJBJKITD-HNNXBMFYSA-N 1 2 298.411 4.308 50 0 CIAALO CC(=O)Nc1ccc(Nc2cc(C)c3ccccc3[nH+]2)cc1 ZINC000000051978 567905901 /nfs/dbraw/zinc/90/59/01/567905901.db2.gz MYOHPIYKOQYHPU-UHFFFAOYSA-N 1 2 291.354 4.245 50 0 CIAALO Cc1[nH+]c2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000000560679 567936449 /nfs/dbraw/zinc/93/64/49/567936449.db2.gz JTUDJAVRLYCKHZ-UHFFFAOYSA-N 1 2 264.372 4.318 50 0 CIAALO Cc1ccccc1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000000572539 567936576 /nfs/dbraw/zinc/93/65/76/567936576.db2.gz YMKONXNMRYCBLV-UHFFFAOYSA-N 1 2 250.345 4.010 50 0 CIAALO CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000055246707 570241851 /nfs/dbraw/zinc/24/18/51/570241851.db2.gz LXVGVXNRKSJPEM-DFQSSKMNSA-N 1 2 293.410 4.304 50 0 CIAALO C[N@H+](Cc1nc2ccccc2o1)Cc1ccccc1Cl ZINC000048355928 570297998 /nfs/dbraw/zinc/29/79/98/570297998.db2.gz CUGZGQCRVHNYPY-UHFFFAOYSA-N 1 2 286.762 4.113 50 0 CIAALO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccccc1Cl ZINC000048355928 570298002 /nfs/dbraw/zinc/29/80/02/570298002.db2.gz CUGZGQCRVHNYPY-UHFFFAOYSA-N 1 2 286.762 4.113 50 0 CIAALO CCc1[nH+]c2ccccc2n1C/C=C/c1ccccc1 ZINC000001473046 570339660 /nfs/dbraw/zinc/33/96/60/570339660.db2.gz JXRVPHYUZBPAKU-DHZHZOJOSA-N 1 2 262.356 4.312 50 0 CIAALO C[N@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccccc1 ZINC000079072625 570396491 /nfs/dbraw/zinc/39/64/91/570396491.db2.gz CEGPUKBGWYKGEI-UHFFFAOYSA-N 1 2 274.433 4.073 50 0 CIAALO C[N@@H+](Cc1nc(C(C)(C)C)cs1)Cc1ccccc1 ZINC000079072625 570396495 /nfs/dbraw/zinc/39/64/95/570396495.db2.gz CEGPUKBGWYKGEI-UHFFFAOYSA-N 1 2 274.433 4.073 50 0 CIAALO CCc1ccc([C@H](C)[NH2+][C@@H](c2nccs2)C2CC2)o1 ZINC000096478567 529722209 /nfs/dbraw/zinc/72/22/09/529722209.db2.gz KKEDFKSGRMBLID-IINYFYTJSA-N 1 2 276.405 4.100 50 0 CIAALO Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c(Cl)c1 ZINC000191492852 533605087 /nfs/dbraw/zinc/60/50/87/533605087.db2.gz UBURVAGFVKHDMV-UHFFFAOYSA-N 1 2 288.778 4.221 50 0 CIAALO CC(C)Cc1[nH+]c2ccccc2n1Cc1ccccc1F ZINC000005545688 170111620 /nfs/dbraw/zinc/11/16/20/170111620.db2.gz QZAGWJNEUSHATL-UHFFFAOYSA-N 1 2 282.362 4.422 50 0 CIAALO Cc1[nH+]ccc(Sc2cccc(C(F)(F)F)c2)c1O ZINC000005798653 170141473 /nfs/dbraw/zinc/14/14/73/170141473.db2.gz GULMVGWGTIVLAU-UHFFFAOYSA-N 1 2 285.290 4.266 50 0 CIAALO c1cn([C@@H]2c3ccsc3SCc3ccccc32)c[nH+]1 ZINC000006188389 170181753 /nfs/dbraw/zinc/18/17/53/170181753.db2.gz NZBIMEFVVHASFW-AWEZNQCLSA-N 1 2 284.409 4.188 50 0 CIAALO CCCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1 ZINC000006732719 170236063 /nfs/dbraw/zinc/23/60/63/170236063.db2.gz DXIIXWOSQUHMFX-UHFFFAOYSA-N 1 2 295.386 4.067 50 0 CIAALO CCn1c2ccccc2[nH+]c1NCc1cccc(Cl)c1 ZINC000006752531 170240797 /nfs/dbraw/zinc/24/07/97/170240797.db2.gz AOPNMINXIJXDDA-UHFFFAOYSA-N 1 2 285.778 4.322 50 0 CIAALO O=C(c1ccccc1)c1cc2c3c(ccc4[nH+]c[nH]c1c34)CC2 ZINC000018180948 170746003 /nfs/dbraw/zinc/74/60/03/170746003.db2.gz PSZSXHHUCDFBTE-UHFFFAOYSA-N 1 2 298.345 4.046 50 0 CIAALO Fc1cccc(CCNc2ccc3ccccc3[nH+]2)c1 ZINC000035137427 172004556 /nfs/dbraw/zinc/00/45/56/172004556.db2.gz YYYORRUDAZJMNH-UHFFFAOYSA-N 1 2 266.319 4.029 50 0 CIAALO Cc1nc(N[C@H](c2cccnc2)C(C)C)cc(C(C)C)[nH+]1 ZINC000065503187 175744861 /nfs/dbraw/zinc/74/48/61/175744861.db2.gz WNZUATQWYFKOTH-KRWDZBQOSA-N 1 2 284.407 4.113 50 0 CIAALO c1csc(Cn2cc[nH+]c2-c2ccnc3ccccc32)c1 ZINC000071747128 176258867 /nfs/dbraw/zinc/25/88/67/176258867.db2.gz UCFDPODFSJWMKK-UHFFFAOYSA-N 1 2 291.379 4.208 50 0 CIAALO Cc1ccc(F)cc1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000170597588 567012126 /nfs/dbraw/zinc/01/21/26/567012126.db2.gz ZHNHYELQKZEJNB-UHFFFAOYSA-N 1 2 284.256 4.160 50 0 CIAALO c1[nH+]c(SCCOC2CCCCCC2)n2ccccc12 ZINC000170631423 567015886 /nfs/dbraw/zinc/01/58/86/567015886.db2.gz XEROTZPECFVDLW-UHFFFAOYSA-N 1 2 290.432 4.166 50 0 CIAALO Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)CC(=O)[C@@H]2C)cc1 ZINC000057218378 567155006 /nfs/dbraw/zinc/15/50/06/567155006.db2.gz CIIGQBBCLUPVRT-ZAAXVRCTSA-N 1 2 293.410 4.284 50 0 CIAALO Cc1ccc2cc(C)c(Nc3ccc4c(c3)OCO4)[nH+]c2c1 ZINC000003183999 567163004 /nfs/dbraw/zinc/16/30/04/567163004.db2.gz VUIKXOMLUBSZMJ-UHFFFAOYSA-N 1 2 292.338 4.324 50 0 CIAALO Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000000323854 567825132 /nfs/dbraw/zinc/82/51/32/567825132.db2.gz FFAVTICKABAMSV-UHFFFAOYSA-N 1 2 270.719 4.337 50 0 in-vitro CIAALO Cc1c(-c2ccc(Br)cc2)[nH+]c2ccccn12 ZINC000000387475 567828506 /nfs/dbraw/zinc/82/85/06/567828506.db2.gz NWNZKGSIQOTCLR-UHFFFAOYSA-N 1 2 287.160 4.072 50 0 CIAALO CCCn1c2ccccc2[nH+]c1NCc1cccs1 ZINC000000436066 567829906 /nfs/dbraw/zinc/82/99/06/567829906.db2.gz WSXLZUGLCRRZGR-UHFFFAOYSA-N 1 2 271.389 4.120 50 0 CIAALO CC(C)n1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000000458664 567831251 /nfs/dbraw/zinc/83/12/51/567831251.db2.gz GINUGUZGXJXCOJ-UHFFFAOYSA-N 1 2 265.360 4.229 50 0 CIAALO CCc1ccc(CNc2[nH+]c3ccccc3n2CC)cc1 ZINC000000620068 567834792 /nfs/dbraw/zinc/83/47/92/567834792.db2.gz YIRVQRJEYDWJOV-UHFFFAOYSA-N 1 2 279.387 4.231 50 0 CIAALO Cc1ccc([C@H](C)[NH2+]Cc2csc(-c3ccoc3)n2)o1 ZINC000097374084 567860143 /nfs/dbraw/zinc/86/01/43/567860143.db2.gz VWLVRNSOOHOIGV-NSHDSACASA-N 1 2 288.372 4.155 50 0 CIAALO Fc1ccc(Nc2cc[nH+]c3ccc(F)cc23)cc1 ZINC000032607054 567863485 /nfs/dbraw/zinc/86/34/85/567863485.db2.gz YYXGQMAAEMPZRV-UHFFFAOYSA-N 1 2 256.255 4.257 50 0 CIAALO Cc1ccsc1C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000206943 567887340 /nfs/dbraw/zinc/88/73/40/567887340.db2.gz RWGWIFLCQOJYRQ-UHFFFAOYSA-N 1 2 282.412 4.096 50 0 CIAALO Cc1ccsc1C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000206943 567887341 /nfs/dbraw/zinc/88/73/41/567887341.db2.gz RWGWIFLCQOJYRQ-UHFFFAOYSA-N 1 2 282.412 4.096 50 0 CIAALO C[N@H+](Cc1cscn1)Cc1ccc(Cl)c(Cl)c1 ZINC000048368041 567892660 /nfs/dbraw/zinc/89/26/60/567892660.db2.gz MZCZMFGWKHCJHR-UHFFFAOYSA-N 1 2 287.215 4.082 50 0 CIAALO C[N@@H+](Cc1cscn1)Cc1ccc(Cl)c(Cl)c1 ZINC000048368041 567892662 /nfs/dbraw/zinc/89/26/62/567892662.db2.gz MZCZMFGWKHCJHR-UHFFFAOYSA-N 1 2 287.215 4.082 50 0 CIAALO Cc1ccc([C@H](C)[N@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000059038170 567896349 /nfs/dbraw/zinc/89/63/49/567896349.db2.gz QBUMZHOYYLZRCK-AWEZNQCLSA-N 1 2 286.419 4.474 50 0 CIAALO Cc1ccc([C@H](C)[N@@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000059038170 567896350 /nfs/dbraw/zinc/89/63/50/567896350.db2.gz QBUMZHOYYLZRCK-AWEZNQCLSA-N 1 2 286.419 4.474 50 0 CIAALO CC(C)Cc1c(-c2ccccc2)[nH+]cn1Cc1ccncc1 ZINC000065466387 567899656 /nfs/dbraw/zinc/89/96/56/567899656.db2.gz YRATVNOMKMWUNX-UHFFFAOYSA-N 1 2 291.398 4.192 50 0 CIAALO Cn1c(-c2ccccc2)cn2cc(-c3ccc(F)cc3)[nH+]c21 ZINC000004678197 567901389 /nfs/dbraw/zinc/90/13/89/567901389.db2.gz BJCZJANPIGHVEV-UHFFFAOYSA-N 1 2 291.329 4.146 50 0 CIAALO COc1ccccc1Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000000107252 567922891 /nfs/dbraw/zinc/92/28/91/567922891.db2.gz NMZYAONXGJVJCW-UHFFFAOYSA-N 1 2 294.354 4.304 50 0 CIAALO CCc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)s1 ZINC000135157809 567929877 /nfs/dbraw/zinc/92/98/77/567929877.db2.gz NBHHECNSWLFZDG-GHMZBOCLSA-N 1 2 264.394 4.019 50 0 CIAALO CC(C)(C)Sc1ccc2[nH+]c3c(n2c1)CCCC3 ZINC000000497135 567940248 /nfs/dbraw/zinc/94/02/48/567940248.db2.gz WKVSCLGDEICIQO-UHFFFAOYSA-N 1 2 260.406 4.104 50 0 CIAALO CC(C)c1nc(C[N@@H+]2CCc3ccc(F)cc3[C@@H]2C)co1 ZINC000244724447 570321051 /nfs/dbraw/zinc/32/10/51/570321051.db2.gz MUHPGDJVBHUHPM-LBPRGKRZSA-N 1 2 288.366 4.056 50 0 CIAALO CC(C)c1nc(C[N@H+]2CCc3ccc(F)cc3[C@@H]2C)co1 ZINC000244724447 570321052 /nfs/dbraw/zinc/32/10/52/570321052.db2.gz MUHPGDJVBHUHPM-LBPRGKRZSA-N 1 2 288.366 4.056 50 0 CIAALO Clc1ccc2[nH+]c(CSCc3ccccc3)cn2c1 ZINC000012523647 570326748 /nfs/dbraw/zinc/32/67/48/570326748.db2.gz LURIBFAGFFWGCY-UHFFFAOYSA-N 1 2 288.803 4.421 50 0 CIAALO CC[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000055562795 570352502 /nfs/dbraw/zinc/35/25/02/570352502.db2.gz MLPXDRONNNYCQN-AOIWGVFYSA-N 1 2 279.383 4.058 50 0 CIAALO CC(C)(C)c1ccc(OCCCCCn2cc[nH+]c2)cc1 ZINC000002497084 169795547 /nfs/dbraw/zinc/79/55/47/169795547.db2.gz RHXBCMHEODHMLI-UHFFFAOYSA-N 1 2 286.419 4.430 50 0 CIAALO CCCCc1ccc(NC2=[NH+]C(C)(C)CS2)cc1 ZINC000006511466 170208474 /nfs/dbraw/zinc/20/84/74/170208474.db2.gz VYWRXJYTLDYHPW-UHFFFAOYSA-N 1 2 262.422 4.323 50 0 CIAALO Clc1ccc2c(Nc3ccc4c(c3)OCO4)cc[nH+]c2c1 ZINC000009577694 170381735 /nfs/dbraw/zinc/38/17/35/170381735.db2.gz UWSPBYIZLDIQHB-UHFFFAOYSA-N 1 2 298.729 4.361 50 0 CIAALO Clc1cccc(NCc2cn3ccccc3[nH+]2)c1Cl ZINC000020246403 171100544 /nfs/dbraw/zinc/10/05/44/171100544.db2.gz YSIJWRRFBVHZGB-UHFFFAOYSA-N 1 2 292.169 4.253 50 0 CIAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)no1 ZINC000021720550 171320827 /nfs/dbraw/zinc/32/08/27/171320827.db2.gz PZKYJCDXZZDKAG-QGZVFWFLSA-N 1 2 288.366 4.103 50 0 CIAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)no1 ZINC000021720550 171320829 /nfs/dbraw/zinc/32/08/29/171320829.db2.gz PZKYJCDXZZDKAG-QGZVFWFLSA-N 1 2 288.366 4.103 50 0 CIAALO c1nc(C[NH2+]C(c2ccccc2)c2ccccc2)cs1 ZINC000040420430 174257301 /nfs/dbraw/zinc/25/73/01/174257301.db2.gz XCGIPAAZNBNDQT-UHFFFAOYSA-N 1 2 280.396 4.022 50 0 CIAALO CC(C)c1[nH+]ccn1-c1ccc(Oc2ccccc2)nc1 ZINC000071758758 176260747 /nfs/dbraw/zinc/26/07/47/176260747.db2.gz MQBYXNUNUATMAG-UHFFFAOYSA-N 1 2 279.343 4.183 50 0 CIAALO c1csc([C@H]2CCCN2c2cc[nH+]c3ccncc32)c1 ZINC000072313871 176368038 /nfs/dbraw/zinc/36/80/38/176368038.db2.gz JKKIVAKMNQFUJE-OAHLLOKOSA-N 1 2 281.384 4.033 50 0 CIAALO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cscn1 ZINC000097866371 534046508 /nfs/dbraw/zinc/04/65/08/534046508.db2.gz GOKGMOOAIBDBFN-NSHDSACASA-N 1 2 272.373 4.082 50 0 CIAALO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1cscn1 ZINC000097866371 534046514 /nfs/dbraw/zinc/04/65/14/534046514.db2.gz GOKGMOOAIBDBFN-NSHDSACASA-N 1 2 272.373 4.082 50 0 CIAALO Cc1ccc([C@H]2CCCN2c2cc[nH+]c(C3CC3)n2)cc1C ZINC000170626211 567015112 /nfs/dbraw/zinc/01/51/12/567015112.db2.gz LSNIPYRYJRYROP-QGZVFWFLSA-N 1 2 293.414 4.312 50 0 CIAALO Nc1ccc2[nH+]c(-c3ccc(-c4ccccc4)cc3)cn2c1 ZINC000019953279 567126727 /nfs/dbraw/zinc/12/67/27/567126727.db2.gz ICVBZCBIPOFSMQ-UHFFFAOYSA-N 1 2 285.350 4.251 50 0 CIAALO Cc1[nH]c2ccc(C(=O)c3ccccc3)c3cccc([nH+]1)c23 ZINC000057476954 567158199 /nfs/dbraw/zinc/15/81/99/567158199.db2.gz LUKFNEJJECXDDH-UHFFFAOYSA-N 1 2 286.334 4.256 50 0 CIAALO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)n1 ZINC000069414807 567200361 /nfs/dbraw/zinc/20/03/61/567200361.db2.gz CGKNTMPIIYDHNB-QWRGUYRKSA-N 1 2 293.798 4.258 50 0 CIAALO Cc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000000084088 567817893 /nfs/dbraw/zinc/81/78/93/567817893.db2.gz WNAQOLSMVPFGTE-UHFFFAOYSA-N 1 2 256.736 4.046 50 0 in-man CIAALO Cc1ccc2[nH+]c(-c3cccc(Br)c3)cn2c1 ZINC000000433065 567829886 /nfs/dbraw/zinc/82/98/86/567829886.db2.gz VUKLHKSSQCTIKR-UHFFFAOYSA-N 1 2 287.160 4.072 50 0 CIAALO CCNc1[nH+]c2ccccc2n1Cc1cccc(Cl)c1 ZINC000004024753 567854838 /nfs/dbraw/zinc/85/48/38/567854838.db2.gz OBTRBIFPSAPEMN-UHFFFAOYSA-N 1 2 285.778 4.170 50 0 CIAALO Clc1ccc(Cc2[nH]c3ccccc3[nH+]2)c(Cl)c1 ZINC000013207763 567865390 /nfs/dbraw/zinc/86/53/90/567865390.db2.gz OIHHDYNKEHASLI-UHFFFAOYSA-N 1 2 277.154 4.461 50 0 CIAALO C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1Cl ZINC000032797251 567868497 /nfs/dbraw/zinc/86/84/97/567868497.db2.gz WIYXSYHFRYXNDX-LLVKDONJSA-N 1 2 286.762 4.332 50 0 CIAALO Cc1cc(NCc2ccco2)[nH+]c2cc(Cl)ccc12 ZINC000023634634 567881840 /nfs/dbraw/zinc/88/18/40/567881840.db2.gz ZHWXRICVMTXCLB-UHFFFAOYSA-N 1 2 272.735 4.402 50 0 CIAALO COc1ccc(Nc2cc[nH+]c3ccc(F)cc23)cc1 ZINC000032607026 567886329 /nfs/dbraw/zinc/88/63/29/567886329.db2.gz ZTGZPGSMNYGDRM-UHFFFAOYSA-N 1 2 268.291 4.126 50 0 CIAALO COC(C)(C)CCC[C@@H](C)Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000067712557 567900204 /nfs/dbraw/zinc/90/02/04/567900204.db2.gz ZGRBBEFZQQBHBB-GFCCVEGCSA-N 1 2 292.398 4.476 50 0 CIAALO C[NH+](C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1 ZINC000000088638 567908759 /nfs/dbraw/zinc/90/87/59/567908759.db2.gz VQQBVGGMFGFZPI-UHFFFAOYSA-N 1 2 296.399 4.015 50 0 aggregator CIAALO Cc1[nH+]c2cc(Br)c(F)cc2n1C(C)(C)C ZINC000095217981 567908993 /nfs/dbraw/zinc/90/89/93/567908993.db2.gz UHWRDBXXHXZZBG-UHFFFAOYSA-N 1 2 285.160 4.001 50 0 CIAALO CCc1[nH+]c(-c2ccccc2)cc2cc(OC)c(OC)cc21 ZINC000000266403 567926094 /nfs/dbraw/zinc/92/60/94/567926094.db2.gz DYTVERWGLHBENB-UHFFFAOYSA-N 1 2 293.366 4.481 50 0 CIAALO Cc1[nH+]c2ccccc2n1CCCOc1cccc(C)c1 ZINC000004932265 567927669 /nfs/dbraw/zinc/92/76/69/567927669.db2.gz HATXWLODLDOTGG-UHFFFAOYSA-N 1 2 280.371 4.122 50 0 CIAALO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2nc3ccccc3o2)o1 ZINC000032843178 570224635 /nfs/dbraw/zinc/22/46/35/570224635.db2.gz CGLPBMCQVONYBA-GXTWGEPZSA-N 1 2 296.370 4.176 50 0 CIAALO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2nc3ccccc3o2)o1 ZINC000032843178 570224638 /nfs/dbraw/zinc/22/46/38/570224638.db2.gz CGLPBMCQVONYBA-GXTWGEPZSA-N 1 2 296.370 4.176 50 0 CIAALO [NH3+]C1=Cc2ccccc2CN1c1c(Cl)cccc1Cl ZINC000103257900 570286844 /nfs/dbraw/zinc/28/68/44/570286844.db2.gz VDZTWWIFSOYBTB-UHFFFAOYSA-N 1 2 291.181 4.271 50 0 CIAALO CCc1ccc([C@@H](C)[NH2+][C@@H](c2nccs2)C2CC2)o1 ZINC000096478564 529706977 /nfs/dbraw/zinc/70/69/77/529706977.db2.gz KKEDFKSGRMBLID-QMTHXVAHSA-N 1 2 276.405 4.100 50 0 CIAALO CCc1ccc([C@@H](C)[NH2+][C@H](c2nccs2)C2CC2)o1 ZINC000096478569 529707643 /nfs/dbraw/zinc/70/76/43/529707643.db2.gz KKEDFKSGRMBLID-YGRLFVJLSA-N 1 2 276.405 4.100 50 0 CIAALO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000182585041 189328512 /nfs/dbraw/zinc/32/85/12/189328512.db2.gz AOSMZAOBJFYQJY-VXGBXAGGSA-N 1 2 276.380 4.285 50 0 CIAALO CCOc1ccc2c(c1)/C(=C/C=C1C=C[NH+](C)C=C1)C=N2 ZINC000334157096 206119747 /nfs/dbraw/zinc/11/97/47/206119747.db2.gz NMCRMYYOXIIIIH-PJQLUOCWSA-N 1 2 278.355 4.084 50 0 CIAALO C[NH+]1C=CC(=C/C=C2\C=Nc3ccc(Cl)cc32)C=C1 ZINC000334157103 206120592 /nfs/dbraw/zinc/12/05/92/206120592.db2.gz LMYZTPWMARBTEM-QLKAYGNNSA-N 1 2 268.747 4.339 50 0 CIAALO CCOc1ccc2c(c1)/C(=C\C=C1C=C[NH+](C)C=C1)C=N2 ZINC000334157097 206121428 /nfs/dbraw/zinc/12/14/28/206121428.db2.gz NMCRMYYOXIIIIH-WCSRMQSCSA-N 1 2 278.355 4.084 50 0 CIAALO CCOc1cccc(CNc2ccc([NH+]3CCCC3)cc2)c1 ZINC000000360234 169616932 /nfs/dbraw/zinc/61/69/32/169616932.db2.gz FACYEEDAGWPLAE-UHFFFAOYSA-N 1 2 296.414 4.298 50 0 CIAALO Cc1cccc(Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000572552 169670885 /nfs/dbraw/zinc/67/08/85/169670885.db2.gz QLQBNPHXGFJXEN-UHFFFAOYSA-N 1 2 250.345 4.010 50 0 CIAALO CC(C)n1c2ccccc2[nH+]c1NCc1cccs1 ZINC000000612941 169674505 /nfs/dbraw/zinc/67/45/05/169674505.db2.gz MQDQLAQFPNOFQK-UHFFFAOYSA-N 1 2 271.389 4.291 50 0 CIAALO Cc1cc(OCCn2cc[nH+]c2)c(C(C)C)cc1Cl ZINC000004810583 170021643 /nfs/dbraw/zinc/02/16/43/170021643.db2.gz PCFHOJZRZJTEEK-UHFFFAOYSA-N 1 2 278.783 4.047 50 0 CIAALO CCCCNc1c2ccccc2[nH+]c2c1C(=O)CC(C)(C)C2 ZINC000006244083 170185220 /nfs/dbraw/zinc/18/52/20/170185220.db2.gz XONXNDGKBLFFPC-UHFFFAOYSA-N 1 2 296.414 4.024 50 0 CIAALO CCCn1c2ccccc2[nH+]c1NCc1sccc1C ZINC000006752539 170240808 /nfs/dbraw/zinc/24/08/08/170240808.db2.gz UADCKWQCUOTRGI-UHFFFAOYSA-N 1 2 285.416 4.428 50 0 CIAALO Cc1ccc2[nH+]c(-c3ccccc3Br)cn2c1 ZINC000022034821 171350187 /nfs/dbraw/zinc/35/01/87/171350187.db2.gz JXPONKGOHNQXSF-UHFFFAOYSA-N 1 2 287.160 4.072 50 0 CIAALO CCc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2OC)o1 ZINC000188461683 262298859 /nfs/dbraw/zinc/29/88/59/262298859.db2.gz ZOSHHKWDBRWLGO-LLVKDONJSA-N 1 2 293.794 4.355 50 0 CIAALO Nc1[nH+]cc(-c2cncc3ccccc32)c2ccccc12 ZINC000075280174 566939671 /nfs/dbraw/zinc/93/96/71/566939671.db2.gz LRPBROTXAMWSLJ-UHFFFAOYSA-N 1 2 271.323 4.032 50 0 CIAALO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000069488051 567201170 /nfs/dbraw/zinc/20/11/70/567201170.db2.gz DGIGWIOAMIYWRG-AWEZNQCLSA-N 1 2 289.448 4.106 50 0 CIAALO CC(C)(C)c1nc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000069488051 567201177 /nfs/dbraw/zinc/20/11/77/567201177.db2.gz DGIGWIOAMIYWRG-AWEZNQCLSA-N 1 2 289.448 4.106 50 0 CIAALO CCCC(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000000079482 567817804 /nfs/dbraw/zinc/81/78/04/567817804.db2.gz NQBVOUGQJBQVNG-UHFFFAOYSA-N 1 2 293.370 4.048 50 0 CIAALO Fc1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000000211280 567822336 /nfs/dbraw/zinc/82/23/36/567822336.db2.gz CPQLRYLQINEVQM-UHFFFAOYSA-N 1 2 270.351 4.038 50 0 CIAALO Cc1[nH+]c2ccccc2n1CCOc1ccccc1Cl ZINC000000255362 567823214 /nfs/dbraw/zinc/82/32/14/567823214.db2.gz MDVSJGXBDUEHNL-UHFFFAOYSA-N 1 2 286.762 4.077 50 0 CIAALO Nc1c2c3c(sc2[nH+]c2c1CCCCC2)CCCCC3 ZINC000000349945 567826352 /nfs/dbraw/zinc/82/63/52/567826352.db2.gz GMZKPSNHHJCDHS-UHFFFAOYSA-N 1 2 286.444 4.416 50 0 CIAALO c1ccc2sc(S[NH2+]C3CCCCC3)nc2c1 ZINC000001680410 567841510 /nfs/dbraw/zinc/84/15/10/567841510.db2.gz DEQZTKGFXNUBJL-UHFFFAOYSA-N 1 2 264.419 4.226 50 0 CIAALO Cc1cc2[nH+]cn([C@@H](C)c3ccccc3)c2cc1C ZINC000002666084 567848653 /nfs/dbraw/zinc/84/86/53/567848653.db2.gz PZEYBOSJUVVTEO-AWEZNQCLSA-N 1 2 250.345 4.262 50 0 CIAALO Cc1ccccc1OCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000002666090 567848839 /nfs/dbraw/zinc/84/88/39/567848839.db2.gz ZIMDTBHHFRKBLI-UHFFFAOYSA-N 1 2 294.398 4.431 50 0 CIAALO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3cccs3)o2)o1 ZINC000097373973 567860089 /nfs/dbraw/zinc/86/00/89/567860089.db2.gz RORQFOQCFJYDHM-LLVKDONJSA-N 1 2 288.372 4.155 50 0 CIAALO CCc1[nH+]c2ccccc2n1CCCOc1cccc(C)c1 ZINC000012413604 567863097 /nfs/dbraw/zinc/86/30/97/567863097.db2.gz IYDXFKQJNBRPFY-UHFFFAOYSA-N 1 2 294.398 4.376 50 0 CIAALO c1ccc(-c2ccc3c(c2)c2c4n3CC[NH+]=C4CCC2)cc1 ZINC000013152599 567865152 /nfs/dbraw/zinc/86/51/52/567865152.db2.gz WXPVMCVBNSRZQA-UHFFFAOYSA-N 1 2 286.378 4.447 50 0 aggregator CIAALO CSc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000015866907 567871549 /nfs/dbraw/zinc/87/15/49/567871549.db2.gz LQEBWXHONRKRAH-MRXNPFEDSA-N 1 2 288.416 4.042 50 0 CIAALO CSc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000015866907 567871550 /nfs/dbraw/zinc/87/15/50/567871550.db2.gz LQEBWXHONRKRAH-MRXNPFEDSA-N 1 2 288.416 4.042 50 0 CIAALO CSc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000015866908 567871619 /nfs/dbraw/zinc/87/16/19/567871619.db2.gz LQEBWXHONRKRAH-INIZCTEOSA-N 1 2 288.416 4.042 50 0 CIAALO CSc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000015866908 567871620 /nfs/dbraw/zinc/87/16/20/567871620.db2.gz LQEBWXHONRKRAH-INIZCTEOSA-N 1 2 288.416 4.042 50 0 CIAALO Cc1cc(N(C)Cc2ccccc2)nc(-c2ccccc2)[nH+]1 ZINC000000190227 567887461 /nfs/dbraw/zinc/88/74/61/567887461.db2.gz KVQUKSFPPRUDAF-UHFFFAOYSA-N 1 2 289.382 4.088 50 0 CIAALO C[C@H](CCCC(C)(C)O)Cc1[nH]c[nH+]c1-c1ccccc1 ZINC000065386144 567898388 /nfs/dbraw/zinc/89/83/88/567898388.db2.gz BKXFPIIGUPUJBD-CQSZACIVSA-N 1 2 286.419 4.197 50 0 CIAALO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000065469681 567899437 /nfs/dbraw/zinc/89/94/37/567899437.db2.gz QAYQFTXVAHWRKU-LLVKDONJSA-N 1 2 278.758 4.067 50 0 CIAALO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000065469681 567899439 /nfs/dbraw/zinc/89/94/39/567899439.db2.gz QAYQFTXVAHWRKU-LLVKDONJSA-N 1 2 278.758 4.067 50 0 CIAALO CO[C@H](Cn1cc[nH+]c1-c1ccccc1C)c1cccs1 ZINC000067770734 567900594 /nfs/dbraw/zinc/90/05/94/567900594.db2.gz CPYPRXRJBJKITD-OAHLLOKOSA-N 1 2 298.411 4.308 50 0 CIAALO Cn1c(-c2ccccc2)cn2cc(-c3ccccc3)[nH+]c21 ZINC000004678227 567901506 /nfs/dbraw/zinc/90/15/06/567901506.db2.gz SMPLXCPRRSREKS-UHFFFAOYSA-N 1 2 273.339 4.007 50 0 CIAALO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3o2)o1 ZINC000097111269 567904506 /nfs/dbraw/zinc/90/45/06/567904506.db2.gz UTIABMHCNKERSE-NEPJUHHUSA-N 1 2 270.332 4.141 50 0 CIAALO Cc1c2ccccc2oc1Cn1cc[nH+]c1-c1cccnc1 ZINC000082108427 567906925 /nfs/dbraw/zinc/90/69/25/567906925.db2.gz ZBMCHSCXVOXCAY-UHFFFAOYSA-N 1 2 289.338 4.048 50 0 CIAALO CC(C)(C)c1ccccc1OCCCCCn1cc[nH+]c1 ZINC000100400387 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CC1=[NH+]Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2N1 ZINC000032106359 567088086 /nfs/dbraw/zinc/08/80/86/567088086.db2.gz KOZNNJJDYWZXAE-UHFFFAOYSA-N 1 2 283.973 4.453 50 0 CIAALO Cc1cc(OCCCCCn2cc[nH+]c2)cc(C)c1Cl ZINC000003633589 567180402 /nfs/dbraw/zinc/18/04/02/567180402.db2.gz JRMYQNXXMWDFDW-UHFFFAOYSA-N 1 2 292.810 4.403 50 0 CIAALO CN(C)c1ccc(-c2[nH]c3cccc4cccc([nH+]2)c43)cc1 ZINC000004142739 567190179 /nfs/dbraw/zinc/19/01/79/567190179.db2.gz SRWVLKDSBGAEHG-UHFFFAOYSA-N 1 2 287.366 4.449 50 0 CIAALO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)n1 ZINC000069414809 567200171 /nfs/dbraw/zinc/20/01/71/567200171.db2.gz CGKNTMPIIYDHNB-MNOVXSKESA-N 1 2 293.798 4.258 50 0 CIAALO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)n1 ZINC000069414808 567200691 /nfs/dbraw/zinc/20/06/91/567200691.db2.gz CGKNTMPIIYDHNB-GHMZBOCLSA-N 1 2 293.798 4.258 50 0 CIAALO Cc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl ZINC000000117402 567818662 /nfs/dbraw/zinc/81/86/62/567818662.db2.gz IXFJMBNATAMUFB-UHFFFAOYSA-N 1 2 274.726 4.186 50 0 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CCOCCCNc1cc(C)c2ccc(Cl)cc2[nH+]1 ZINC000023634091 567881843 /nfs/dbraw/zinc/88/18/43/567881843.db2.gz XTKNZGQZSKKEDD-UHFFFAOYSA-N 1 2 278.783 4.035 50 0 CIAALO C[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccccc1Cl ZINC000049537339 567882435 /nfs/dbraw/zinc/88/24/35/567882435.db2.gz OWNGJFHUFARZAK-ZDUSSCGKSA-N 1 2 287.790 4.043 50 0 CIAALO C[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccccc1Cl ZINC000049537339 567882436 /nfs/dbraw/zinc/88/24/36/567882436.db2.gz OWNGJFHUFARZAK-ZDUSSCGKSA-N 1 2 287.790 4.043 50 0 CIAALO Clc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1Cl ZINC000026894016 567883271 /nfs/dbraw/zinc/88/32/71/567883271.db2.gz XPFCXIKQEQOMMW-UHFFFAOYSA-N 1 2 277.154 4.461 50 0 CIAALO CCC(C)(C)c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000016193297 567888035 /nfs/dbraw/zinc/88/80/35/567888035.db2.gz NUKDDWSVWOUQBO-UHFFFAOYSA-N 1 2 272.392 4.040 50 0 CIAALO FC(F)(F)c1cccc2c(N3CCCCC3)cc[nH+]c21 ZINC000038536941 567890511 /nfs/dbraw/zinc/89/05/11/567890511.db2.gz XTWOAVOTFJDXJL-UHFFFAOYSA-N 1 2 280.293 4.244 50 0 CIAALO C[N@H+](Cc1coc(-c2ccccc2)n1)Cc1ccccc1F ZINC000058044622 567895337 /nfs/dbraw/zinc/89/53/37/567895337.db2.gz ZVCFWZPQWGMIGI-UHFFFAOYSA-N 1 2 296.345 4.113 50 0 CIAALO C[N@@H+](Cc1coc(-c2ccccc2)n1)Cc1ccccc1F ZINC000058044622 567895339 /nfs/dbraw/zinc/89/53/39/567895339.db2.gz ZVCFWZPQWGMIGI-UHFFFAOYSA-N 1 2 296.345 4.113 50 0 CIAALO Cc1c(-c2ccccc2)[nH+]cn1[C@@H]1COC2(CCCC2)C1 ZINC000065406436 567899141 /nfs/dbraw/zinc/89/91/41/567899141.db2.gz NMSFZPWVDVPTGC-INIZCTEOSA-N 1 2 282.387 4.133 50 0 CIAALO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000065469676 567899684 /nfs/dbraw/zinc/89/96/84/567899684.db2.gz QAYQFTXVAHWRKU-NSHDSACASA-N 1 2 278.758 4.067 50 0 CIAALO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000065469676 567899686 /nfs/dbraw/zinc/89/96/86/567899686.db2.gz QAYQFTXVAHWRKU-NSHDSACASA-N 1 2 278.758 4.067 50 0 CIAALO CC(C)n1cc[nH+]c1-c1ccc(OCc2ccccn2)cc1 ZINC000067946989 567901159 /nfs/dbraw/zinc/90/11/59/567901159.db2.gz WBKDDKGHEBFLNC-UHFFFAOYSA-N 1 2 293.370 4.105 50 0 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CIAALO CCc1[nH+]c2ccccc2n1CCCOc1ccc(C)cc1 ZINC000012413602 567862921 /nfs/dbraw/zinc/86/29/21/567862921.db2.gz UGTKCJZAXWFTIW-UHFFFAOYSA-N 1 2 294.398 4.376 50 0 CIAALO C[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccccc1Cl ZINC000049537340 567882559 /nfs/dbraw/zinc/88/25/59/567882559.db2.gz OWNGJFHUFARZAK-CYBMUJFWSA-N 1 2 287.790 4.043 50 0 CIAALO C[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccccc1Cl ZINC000049537340 567882560 /nfs/dbraw/zinc/88/25/60/567882560.db2.gz OWNGJFHUFARZAK-CYBMUJFWSA-N 1 2 287.790 4.043 50 0 CIAALO CC(=O)c1cccc(Nc2cc[nH+]c3ccc(F)cc23)c1 ZINC000032607223 567886494 /nfs/dbraw/zinc/88/64/94/567886494.db2.gz NJTVXGCGCNYQQC-UHFFFAOYSA-N 1 2 280.302 4.320 50 0 CIAALO Cc1ccc2cc(C)c(N3CCC(C)CC3)[nH+]c2c1 ZINC000000229440 567887248 /nfs/dbraw/zinc/88/72/48/567887248.db2.gz RQAOBTNDYPBPBV-UHFFFAOYSA-N 1 2 254.377 4.088 50 0 CIAALO Cc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)s1 ZINC000000757304 567887953 /nfs/dbraw/zinc/88/79/53/567887953.db2.gz CWCAUOIHGSVZLN-UHFFFAOYSA-N 1 2 282.412 4.096 50 0 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CC(C)c1[nH+]c2ccccc2n1CCOc1ccccc1 ZINC000000572655 567943670 /nfs/dbraw/zinc/94/36/70/567943670.db2.gz RMBLBBMBDVMPGC-UHFFFAOYSA-N 1 2 280.371 4.239 50 0 CIAALO CC(C)c1[nH+]c2ccccc2n1Cc1ccccc1F ZINC000000572603 567943676 /nfs/dbraw/zinc/94/36/76/567943676.db2.gz YXWXTLXNPZZQHA-UHFFFAOYSA-N 1 2 268.335 4.347 50 0 CIAALO COC(C)(C)CCC[C@@H](C)Cc1[nH+]c2ccccc2n1C ZINC000055254667 570241892 /nfs/dbraw/zinc/24/18/92/570241892.db2.gz XRWOYPWDFPNWBP-CQSZACIVSA-N 1 2 288.435 4.347 50 0 CIAALO CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000055246704 570242212 /nfs/dbraw/zinc/24/22/12/570242212.db2.gz LXVGVXNRKSJPEM-SXLOBPIMSA-N 1 2 293.410 4.304 50 0 CIAALO CCCCn1c2ccccc2[nH+]c1NCc1ccc(C)o1 ZINC000220968683 570310944 /nfs/dbraw/zinc/31/09/44/570310944.db2.gz WTGASROHTOTTPE-UHFFFAOYSA-N 1 2 283.375 4.350 50 0 CIAALO CCn1c2ccccc2[nH+]c1Nc1ccccc1Cl ZINC000000513514 230366434 /nfs/dbraw/zinc/36/64/34/230366434.db2.gz MHOCJHBSAKXKOB-UHFFFAOYSA-N 1 2 271.751 4.453 50 0 CIAALO 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Cc1ccc(C[NH+](Cc2ccco2)Cc2ccc(C)o2)o1 ZINC000009846072 170386965 /nfs/dbraw/zinc/38/69/65/170386965.db2.gz JLTCUULQJNEEAG-UHFFFAOYSA-N 1 2 285.343 4.285 50 0 CIAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)no1 ZINC000021720544 171321079 /nfs/dbraw/zinc/32/10/79/171321079.db2.gz GYHWDDHNUZBOMK-INIZCTEOSA-N 1 2 288.366 4.274 50 0 CIAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)no1 ZINC000021720544 171321080 /nfs/dbraw/zinc/32/10/80/171321080.db2.gz GYHWDDHNUZBOMK-INIZCTEOSA-N 1 2 288.366 4.274 50 0 CIAALO Cc1cccn2cc(C3C4CC5CC(C4)CC3C5)[nH+]c12 ZINC000058420723 175624613 /nfs/dbraw/zinc/62/46/13/175624613.db2.gz FDCRMMDKGGISNJ-UHFFFAOYSA-N 1 2 266.388 4.182 50 0 CIAALO CSCCCn1cc[nH+]c1-c1c(C)ccc2ncccc21 ZINC000071479629 176187737 /nfs/dbraw/zinc/18/77/37/176187737.db2.gz KUHXVTQQPHQGIH-UHFFFAOYSA-N 1 2 297.427 4.160 50 0 CIAALO CC(C)c1[nH+]ccn1-c1ccccc1Oc1cccnc1 ZINC000071749813 176259341 /nfs/dbraw/zinc/25/93/41/176259341.db2.gz YAOKTGCXNOHZEJ-UHFFFAOYSA-N 1 2 279.343 4.183 50 0 CIAALO c1cn(Cc2ccc3sccc3c2)c(-c2ccncc2)[nH+]1 ZINC000071750594 176259736 /nfs/dbraw/zinc/25/97/36/176259736.db2.gz WXHRKJLYGIGCQP-UHFFFAOYSA-N 1 2 291.379 4.208 50 0 CIAALO CC(=O)c1cccc(-c2[nH+]ccn2C(C2CC2)C2CC2)c1 ZINC000071750830 176260285 /nfs/dbraw/zinc/26/02/85/176260285.db2.gz VDCGCYWYJNBTFC-UHFFFAOYSA-N 1 2 280.371 4.114 50 0 CIAALO C[C@H]1C(=O)[C@@H](C)[C@@H](c2cccs2)[NH2+][C@H]1c1cccs1 ZINC000003894952 566841114 /nfs/dbraw/zinc/84/11/14/566841114.db2.gz MUTNIEJDQJDXMD-IOQCUFBNSA-N 1 2 291.441 4.037 50 0 CIAALO CCc1ccc([C@H](Nc2cc(C)[nH+]cn2)C(C)C)cc1 ZINC000170624594 567016059 /nfs/dbraw/zinc/01/60/59/567016059.db2.gz IAJQJTFTJKDHPP-QGZVFWFLSA-N 1 2 269.392 4.157 50 0 CIAALO C[N@H+](Cc1ccco1)Cc1c(Cl)cccc1Cl ZINC000019899072 567087412 /nfs/dbraw/zinc/08/74/12/567087412.db2.gz JSAJJOSNNQGRDM-UHFFFAOYSA-N 1 2 270.159 4.218 50 0 CIAALO C[N@@H+](Cc1ccco1)Cc1c(Cl)cccc1Cl ZINC000019899072 567087418 /nfs/dbraw/zinc/08/74/18/567087418.db2.gz JSAJJOSNNQGRDM-UHFFFAOYSA-N 1 2 270.159 4.218 50 0 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FC1(F)CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000216331529 567947578 /nfs/dbraw/zinc/94/75/78/567947578.db2.gz IHGXHSWCKWYPSZ-UHFFFAOYSA-N 1 2 294.370 4.041 50 0 CIAALO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000048276402 570296907 /nfs/dbraw/zinc/29/69/07/570296907.db2.gz AOZQRYQCMHPUBE-HNNXBMFYSA-N 1 2 299.418 4.013 50 0 CIAALO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000048276402 570296908 /nfs/dbraw/zinc/29/69/08/570296908.db2.gz AOZQRYQCMHPUBE-HNNXBMFYSA-N 1 2 299.418 4.013 50 0 CIAALO Cc1cc(NC2CCCCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000084114721 570335487 /nfs/dbraw/zinc/33/54/87/570335487.db2.gz HWJJDQDEQAPMML-UHFFFAOYSA-N 1 2 296.418 4.372 50 0 CIAALO C[C@H]([NH2+][C@@H](C)c1cccs1)c1noc(-c2ccccc2)n1 ZINC000095969359 185047529 /nfs/dbraw/zinc/04/75/29/185047529.db2.gz TVOXLLARNSOGDM-RYUDHWBXSA-N 1 2 299.399 4.210 50 0 CIAALO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1noc(-c2ccccc2)n1 ZINC000095969361 185048092 /nfs/dbraw/zinc/04/80/92/185048092.db2.gz TVOXLLARNSOGDM-NWDGAFQWSA-N 1 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C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2nc3ccccc3o2)o1 ZINC000032843176 570224528 /nfs/dbraw/zinc/22/45/28/570224528.db2.gz CGLPBMCQVONYBA-JSGCOSHPSA-N 1 2 296.370 4.176 50 0 CIAALO Cc1cc(OCC=C(Cl)Cl)c2ccccc2[nH+]1 ZINC000000366119 570265616 /nfs/dbraw/zinc/26/56/16/570265616.db2.gz LLUALTHVLQJUIG-UHFFFAOYSA-N 1 2 268.143 4.241 50 0 CIAALO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]2c2ccsc2)o1 ZINC000048248580 570296606 /nfs/dbraw/zinc/29/66/06/570296606.db2.gz BLPWHWRAILVXIZ-CYBMUJFWSA-N 1 2 290.432 4.371 50 0 CIAALO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]2c2ccsc2)o1 ZINC000048248580 570296608 /nfs/dbraw/zinc/29/66/08/570296608.db2.gz BLPWHWRAILVXIZ-CYBMUJFWSA-N 1 2 290.432 4.371 50 0 CIAALO COc1c(C)c[nH+]c(-c2[nH]c3cccc(F)c3c2C)c1C ZINC000084258149 570336898 /nfs/dbraw/zinc/33/68/98/570336898.db2.gz CYILWWQONITQOX-UHFFFAOYSA-N 1 2 284.334 4.303 50 0 CIAALO CC[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000055562797 570352473 /nfs/dbraw/zinc/35/24/73/570352473.db2.gz MLPXDRONNNYCQN-ZIFCJYIRSA-N 1 2 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4.039 50 0 CIAALO Fc1cccc(C[N@@H+](Cc2ccncc2Cl)C2CC2)c1 ZINC000075642080 566973644 /nfs/dbraw/zinc/97/36/44/566973644.db2.gz QUGRRALJBDWDAD-UHFFFAOYSA-N 1 2 290.769 4.039 50 0 CIAALO COc1ccc(Oc2cc(C)[nH+]c3ccccc32)cc1 ZINC000000090478 567818012 /nfs/dbraw/zinc/81/80/12/567818012.db2.gz GCPOCABAMBFOIY-UHFFFAOYSA-N 1 2 265.312 4.344 50 0 CIAALO c1ccc(C[C@@H](Nc2cccc[nH+]2)c2ccccc2)cc1 ZINC000000394553 567828675 /nfs/dbraw/zinc/82/86/75/567828675.db2.gz AZHQDGPVBWDKPW-GOSISDBHSA-N 1 2 274.367 4.478 50 0 CIAALO COc1cccc(Nc2cc(C)c3ccccc3[nH+]2)c1 ZINC000000493539 567833017 /nfs/dbraw/zinc/83/30/17/567833017.db2.gz SWHMCCZQEXIIAF-UHFFFAOYSA-N 1 2 264.328 4.295 50 0 CIAALO Cc1ccc(Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000000572555 567834127 /nfs/dbraw/zinc/83/41/27/567834127.db2.gz PRIOFQYYSHATGH-UHFFFAOYSA-N 1 2 250.345 4.010 50 0 CIAALO Clc1ccc(OCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000002904067 567850702 /nfs/dbraw/zinc/85/07/02/567850702.db2.gz DASKSKAPEXNAQP-UHFFFAOYSA-N 1 2 285.174 4.049 50 0 CIAALO CCCCCCNc1cc(NCCCCCC)[nH+]cn1 ZINC000003843402 567853622 /nfs/dbraw/zinc/85/36/22/567853622.db2.gz XPANREGFWLXBCT-UHFFFAOYSA-N 1 2 278.444 4.461 50 0 CIAALO c1ccc(OCCCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000004385594 567857346 /nfs/dbraw/zinc/85/73/46/567857346.db2.gz XCDBHMSVVGHVEN-UHFFFAOYSA-N 1 2 292.382 4.383 50 0 CIAALO Cc1ccc(OCCCn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000002666087 567860133 /nfs/dbraw/zinc/86/01/33/567860133.db2.gz LBZDJJPHKUYBJP-UHFFFAOYSA-N 1 2 294.398 4.431 50 0 CIAALO CC(C)(C)c1ccccc1OCCCCn1cc[nH+]c1 ZINC000012381778 567863139 /nfs/dbraw/zinc/86/31/39/567863139.db2.gz SYSKFHBYNCEXDK-UHFFFAOYSA-N 1 2 272.392 4.040 50 0 CIAALO CC[N@H+](CCCNc1nc2ccccc2o1)c1ccccc1 ZINC000029393250 567884426 /nfs/dbraw/zinc/88/44/26/567884426.db2.gz GKOTWCMPAGAZEP-UHFFFAOYSA-N 1 2 295.386 4.156 50 0 CIAALO CC[N@@H+](CCCNc1nc2ccccc2o1)c1ccccc1 ZINC000029393250 567884427 /nfs/dbraw/zinc/88/44/27/567884427.db2.gz GKOTWCMPAGAZEP-UHFFFAOYSA-N 1 2 295.386 4.156 50 0 CIAALO Cc1ccc2[nH+]c(-c3ccc4ccccc4c3)cn2c1 ZINC000000433063 567887427 /nfs/dbraw/zinc/88/74/27/567887427.db2.gz NDMKFWICPOJXQA-UHFFFAOYSA-N 1 2 258.324 4.463 50 0 CIAALO FC(F)(F)C(F)(F)[C@]1(c2ccccc2)CCCCC[NH2+]1 ZINC000057330657 567895173 /nfs/dbraw/zinc/89/51/73/567895173.db2.gz GMKBAZCYLWEBBL-GFCCVEGCSA-N 1 2 293.279 4.243 50 0 CIAALO Cc1ccc([C@@H](C)[N@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000059038169 567896496 /nfs/dbraw/zinc/89/64/96/567896496.db2.gz QBUMZHOYYLZRCK-CQSZACIVSA-N 1 2 286.419 4.474 50 0 CIAALO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000059038169 567896497 /nfs/dbraw/zinc/89/64/97/567896497.db2.gz QBUMZHOYYLZRCK-CQSZACIVSA-N 1 2 286.419 4.474 50 0 CIAALO C[C@@H](CCCC(C)(C)O)Cc1[nH]c[nH+]c1-c1ccccc1 ZINC000065386143 567898732 /nfs/dbraw/zinc/89/87/32/567898732.db2.gz BKXFPIIGUPUJBD-AWEZNQCLSA-N 1 2 286.419 4.197 50 0 CIAALO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3o2)o1 ZINC000097111271 567904684 /nfs/dbraw/zinc/90/46/84/567904684.db2.gz UTIABMHCNKERSE-RYUDHWBXSA-N 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CIAALO Cc1ccc(SCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000000711225 567947588 /nfs/dbraw/zinc/94/75/88/567947588.db2.gz WIAMGTAVZFHQEF-UHFFFAOYSA-N 1 2 268.385 4.243 50 0 CIAALO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2nc3ccccc3o2)o1 ZINC000032843177 570224505 /nfs/dbraw/zinc/22/45/05/570224505.db2.gz CGLPBMCQVONYBA-TZMCWYRMSA-N 1 2 296.370 4.176 50 0 CIAALO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2nc3ccccc3o2)o1 ZINC000032843177 570224508 /nfs/dbraw/zinc/22/45/08/570224508.db2.gz CGLPBMCQVONYBA-TZMCWYRMSA-N 1 2 296.370 4.176 50 0 CIAALO COC(C)(C)CCC[C@H](C)Cc1[nH+]c2ccccc2n1C ZINC000055254664 570242106 /nfs/dbraw/zinc/24/21/06/570242106.db2.gz XRWOYPWDFPNWBP-AWEZNQCLSA-N 1 2 288.435 4.347 50 0 CIAALO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000048276404 570296856 /nfs/dbraw/zinc/29/68/56/570296856.db2.gz AOZQRYQCMHPUBE-OAHLLOKOSA-N 1 2 299.418 4.013 50 0 CIAALO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000048276404 570296860 /nfs/dbraw/zinc/29/68/60/570296860.db2.gz AOZQRYQCMHPUBE-OAHLLOKOSA-N 1 2 299.418 4.013 50 0 CIAALO Cc1ccc(C(=O)Nc2cc(C)[nH+]c3ccc(C)cc23)cc1 ZINC000016648403 570334627 /nfs/dbraw/zinc/33/46/27/570334627.db2.gz HZKPSEQXPXFCOO-UHFFFAOYSA-N 1 2 290.366 4.412 50 0 CIAALO CC(C)(C)c1cnc(C[NH2+]C(C)(C)c2ccc(F)cc2)o1 ZINC000069697112 570402221 /nfs/dbraw/zinc/40/22/21/570402221.db2.gz DLZBWFSVAKXOKO-UHFFFAOYSA-N 1 2 290.382 4.136 50 0 CIAALO COc1ccc2c(c1)c(C)c(C)n2CCc1ccc(C)[nH+]c1 ZINC000000184780 169567322 /nfs/dbraw/zinc/56/73/22/169567322.db2.gz MDKKFKKJFZJXBE-UHFFFAOYSA-N 1 2 294.398 4.213 50 0 CIAALO CCCn1c2ccccc2[nH+]c1CCc1ccccc1 ZINC000000608699 169673633 /nfs/dbraw/zinc/67/36/33/169673633.db2.gz HDZDJQWNEDYHPC-UHFFFAOYSA-N 1 2 264.372 4.232 50 0 CIAALO Cc1cc(OCCCCn2cc[nH+]c2)cc(C(C)C)c1 ZINC000003000799 169848283 /nfs/dbraw/zinc/84/82/83/169848283.db2.gz HMZQYADPHNJSBC-UHFFFAOYSA-N 1 2 272.392 4.174 50 0 CIAALO Cc1cccc(Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000004908440 170039973 /nfs/dbraw/zinc/03/99/73/170039973.db2.gz AAKPSPRSEUDGIY-UHFFFAOYSA-N 1 2 262.356 4.270 50 0 CIAALO Cc1[nH+]c2cc(C)c(C)cc2n1Cc1ccccc1 ZINC000006767823 170242075 /nfs/dbraw/zinc/24/20/75/170242075.db2.gz NDZGVQDFYYGYAK-UHFFFAOYSA-N 1 2 250.345 4.010 50 0 CIAALO c1cc2c(ncnc2Nc2ccc([NH+]3CCCC3)cc2)s1 ZINC000007984831 170311634 /nfs/dbraw/zinc/31/16/34/170311634.db2.gz ZSSVUCMLPRXIIX-UHFFFAOYSA-N 1 2 296.399 4.035 50 0 CIAALO Nc1cc(-c2cccc(Cl)c2)c2ccccc2[nH+]1 ZINC000020506707 171228787 /nfs/dbraw/zinc/22/87/87/171228787.db2.gz NVMSZOGEEMIXAW-UHFFFAOYSA-N 1 2 254.720 4.137 50 0 CIAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)no1 ZINC000021720546 171320368 /nfs/dbraw/zinc/32/03/68/171320368.db2.gz GYHWDDHNUZBOMK-MRXNPFEDSA-N 1 2 288.366 4.274 50 0 CIAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)no1 ZINC000021720546 171320369 /nfs/dbraw/zinc/32/03/69/171320369.db2.gz GYHWDDHNUZBOMK-MRXNPFEDSA-N 1 2 288.366 4.274 50 0 CIAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)no1 ZINC000021720548 171320538 /nfs/dbraw/zinc/32/05/38/171320538.db2.gz PZKYJCDXZZDKAG-KRWDZBQOSA-N 1 2 288.366 4.103 50 0 CIAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)no1 ZINC000021720548 171320540 /nfs/dbraw/zinc/32/05/40/171320540.db2.gz PZKYJCDXZZDKAG-KRWDZBQOSA-N 1 2 288.366 4.103 50 0 CIAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)no1 ZINC000021719879 171320688 /nfs/dbraw/zinc/32/06/88/171320688.db2.gz KDXDGEYXXAWZNO-MRXNPFEDSA-N 1 2 288.366 4.274 50 0 CIAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)no1 ZINC000021719879 171320689 /nfs/dbraw/zinc/32/06/89/171320689.db2.gz KDXDGEYXXAWZNO-MRXNPFEDSA-N 1 2 288.366 4.274 50 0 CIAALO CCOc1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1 ZINC000000211307 327632146 /nfs/dbraw/zinc/63/21/46/327632146.db2.gz ZGSRIWGMVVTLKB-UHFFFAOYSA-N 1 2 296.414 4.298 50 0 aggregator CIAALO CCn1c(C)[nH+]c2cc(Oc3nc4ccccc4o3)ccc21 ZINC000075249543 566938670 /nfs/dbraw/zinc/93/86/70/566938670.db2.gz BHRYLGUDKQWOSB-UHFFFAOYSA-N 1 2 293.326 4.298 50 0 CIAALO Cc1cc(C[NH2+]Cc2ncc(-c3ccccc3)o2)ccc1F ZINC000253630162 567104296 /nfs/dbraw/zinc/10/42/96/567104296.db2.gz SVADPMCLOHHFLM-UHFFFAOYSA-N 1 2 296.345 4.079 50 0 CIAALO c1ccc(C2(N[NH2+]C3CCCCC3)CCCCC2)cc1 ZINC000096026701 567138151 /nfs/dbraw/zinc/13/81/51/567138151.db2.gz HYMRPNQOTJZBFP-UHFFFAOYSA-N 1 2 272.436 4.273 50 0 CIAALO Cc1[nH+]c2ccccc2n1Cc1ccccc1Cl ZINC000000099283 567818256 /nfs/dbraw/zinc/81/82/56/567818256.db2.gz BDUGETYYWCEFNH-UHFFFAOYSA-N 1 2 256.736 4.046 50 0 CIAALO COc1cccc2c(Nc3ccccc3O)cc(C)[nH+]c12 ZINC000000534256 567833262 /nfs/dbraw/zinc/83/32/62/567833262.db2.gz CAZRWEPAZQAOTQ-UHFFFAOYSA-N 1 2 280.327 4.001 50 0 CIAALO [NH2+]=C1c2ccccc2CN1c1ccc(Cl)cc1Cl ZINC000004116966 567855503 /nfs/dbraw/zinc/85/55/03/567855503.db2.gz CFGRDJUHNBJCCS-UHFFFAOYSA-N 1 2 277.154 4.339 50 0 CIAALO CN(C)/C=C/C(=[NH2+])SCc1c(Cl)cccc1Cl ZINC000004323395 567856896 /nfs/dbraw/zinc/85/68/96/567856896.db2.gz OZKGHESSRSRQHO-AXUHJDFSSA-N 1 2 289.231 4.279 50 0 CIAALO Cc1ccc(C(C)C)cc1OCCCCn1cc[nH+]c1 ZINC000016192738 567872177 /nfs/dbraw/zinc/87/21/77/567872177.db2.gz CEQJZMBGCXXKIF-UHFFFAOYSA-N 1 2 272.392 4.174 50 0 CIAALO CC[C@H](C)c1ccccc1OCCCCn1cc[nH+]c1 ZINC000016193392 567887654 /nfs/dbraw/zinc/88/76/54/567887654.db2.gz DIMQOAHGZFTKGA-HNNXBMFYSA-N 1 2 272.392 4.256 50 0 CIAALO CC(C)(C)c1cc(Cl)ccc1OCCCn1cc[nH+]c1 ZINC000022310193 567888313 /nfs/dbraw/zinc/88/83/13/567888313.db2.gz KMVLSHZBNYDOQU-UHFFFAOYSA-N 1 2 292.810 4.303 50 0 CIAALO CCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000055421303 567894417 /nfs/dbraw/zinc/89/44/17/567894417.db2.gz OWCTVXQJBQQGEI-HBFSDRIKSA-N 1 2 293.410 4.448 50 0 CIAALO c1[nH+]c(SCc2nc3ccccc3s2)n2ccccc12 ZINC000024276549 567930709 /nfs/dbraw/zinc/93/07/09/567930709.db2.gz TYNWQEWKOCAOQM-UHFFFAOYSA-N 1 2 297.408 4.236 50 0 CIAALO Clc1ccc(-c2cn3c4ccccc4[nH]c3[nH+]2)cc1 ZINC000034798154 567931296 /nfs/dbraw/zinc/93/12/96/567931296.db2.gz JMOKZPTXGIMBNB-UHFFFAOYSA-N 1 2 267.719 4.136 50 0 CIAALO Cc1ccc(C(C)C)c(OCCCCn2cc[nH+]c2)c1 ZINC000004385939 567932543 /nfs/dbraw/zinc/93/25/43/567932543.db2.gz CYWYCLQLBYNHNZ-UHFFFAOYSA-N 1 2 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