smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)o1 ZINC000189939742 1126936748 /nfs/dbraw/zinc/93/67/48/1126936748.db2.gz BVLMFIZVLSQUJX-AWEZNQCLSA-N 1 2 262.378 3.690 10 0 CHAELO Cc1ccc(C[N@H+]2CCC[C@H]2c2csc(C)n2)o1 ZINC000189939742 1126936750 /nfs/dbraw/zinc/93/67/50/1126936750.db2.gz BVLMFIZVLSQUJX-AWEZNQCLSA-N 1 2 262.378 3.690 10 0 CHAELO Cc1ccc([C@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)o1 ZINC000105863555 1120044829 /nfs/dbraw/zinc/04/48/29/1120044829.db2.gz RKBZWPDVDVMNGV-NSHDSACASA-N 1 2 289.766 3.740 10 0 CHAELO CC(C)=CC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000174241126 261562684 /nfs/dbraw/zinc/56/26/84/261562684.db2.gz DBLOOTSLPXISPL-UHFFFAOYSA-N 1 2 263.385 3.518 10 0 CHAELO C[C@@H]1C[NH+]=C(Nc2ccc(C(F)(F)F)cc2)S1 ZINC000003103168 169855994 /nfs/dbraw/zinc/85/59/94/169855994.db2.gz AXCTXZXZOHMSGL-SSDOTTSWSA-N 1 2 260.284 3.609 10 0 CHAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(CC(C)C)cc1)C(C)C ZINC000035185715 172040172 /nfs/dbraw/zinc/04/01/72/172040172.db2.gz GPZMQFMHCOXDHW-YOEHRIQHSA-N 1 2 291.435 3.733 10 0 CHAELO COC(=O)C(C)(C)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037304550 173109793 /nfs/dbraw/zinc/10/97/93/173109793.db2.gz GKMZEGHVLWVJCA-ZDUSSCGKSA-N 1 2 281.421 3.521 10 0 CHAELO COC(=O)C(C)(C)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037304549 173109827 /nfs/dbraw/zinc/10/98/27/173109827.db2.gz GKMZEGHVLWVJCA-CYBMUJFWSA-N 1 2 281.421 3.521 10 0 CHAELO CCc1[nH+]c2ccccc2n1CCOc1cccc(C)c1 ZINC000040227359 174208610 /nfs/dbraw/zinc/20/86/10/174208610.db2.gz NFMUEJIMVCGFGK-UHFFFAOYSA-N 1 2 280.371 3.986 10 0 CHAELO CCNc1[nH+]cnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040707401 174379495 /nfs/dbraw/zinc/37/94/95/174379495.db2.gz AVFBMPLKKWMGTF-UHFFFAOYSA-N 1 2 298.177 3.541 10 0 CHAELO c1cn(-c2cccc(N[C@@H]3CCc4ccccc43)c2)c[nH+]1 ZINC000036940083 260054436 /nfs/dbraw/zinc/05/44/36/260054436.db2.gz WAYAZTQMGHACNU-GOSISDBHSA-N 1 2 275.355 3.972 10 0 CHAELO CCCn1ccc(CNc2ccc(N(CC)CC)[nH+]c2)c1 ZINC000091010962 260264800 /nfs/dbraw/zinc/26/48/00/260264800.db2.gz UDPFIWPRAUOLBM-UHFFFAOYSA-N 1 2 286.423 3.751 10 0 CHAELO CO[C@@H](C)c1cccc(NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000102887267 261272045 /nfs/dbraw/zinc/27/20/45/261272045.db2.gz YZIIXYRTBTWUSU-AWEZNQCLSA-N 1 2 295.386 3.962 10 0 CHAELO CCn1cc[nH+]c1C[S@@](=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000177294644 261344893 /nfs/dbraw/zinc/34/48/93/261344893.db2.gz FFFXTXLCFAWVTI-JEOXALJRSA-N 1 2 296.823 3.566 10 0 CHAELO CCC(CC)(CC)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000190559074 264397537 /nfs/dbraw/zinc/39/75/37/264397537.db2.gz ACVGIVQBBWNTSP-GOSISDBHSA-N 1 2 270.442 3.682 10 0 CHAELO CCc1noc([C@@H](C)[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117893844 267225064 /nfs/dbraw/zinc/22/50/64/267225064.db2.gz LKJLFRGKYQCVGI-LLVKDONJSA-N 1 2 289.404 3.544 10 0 CHAELO CCc1noc([C@@H](C)[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117893844 267225066 /nfs/dbraw/zinc/22/50/66/267225066.db2.gz LKJLFRGKYQCVGI-LLVKDONJSA-N 1 2 289.404 3.544 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Br)cc2)o1 ZINC000220936897 329204079 /nfs/dbraw/zinc/20/40/79/329204079.db2.gz VUADEAFXVUIYDC-SNVBAGLBSA-N 1 2 295.180 3.596 10 0 CHAELO COc1ccc2[nH+]c(C)cc(OCc3nc(C)c(C)o3)c2c1 ZINC000193454287 329470623 /nfs/dbraw/zinc/47/06/23/329470623.db2.gz XIQAKIFFAYKKRF-UHFFFAOYSA-N 1 2 298.342 3.736 10 0 CHAELO CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000248625455 329896109 /nfs/dbraw/zinc/89/61/09/329896109.db2.gz YVEAIARWGPDZGG-RRFJBIMHSA-N 1 2 299.418 3.732 10 0 CHAELO Cc1csc([C@@H](C)[NH2+][C@H](C)c2csc(C)n2)n1 ZINC000080270275 330116263 /nfs/dbraw/zinc/11/62/63/330116263.db2.gz NQHQFCZNHAIVOB-RKDXNWHRSA-N 1 2 267.423 3.628 10 0 CHAELO CCCOc1cccc(C[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC000220910479 333170643 /nfs/dbraw/zinc/17/06/43/333170643.db2.gz DMPPOXFFWAQBEL-ZDUSSCGKSA-N 1 2 274.364 3.623 10 0 CHAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000220951905 333171053 /nfs/dbraw/zinc/17/10/53/333171053.db2.gz VWIJJMAQHLDYTD-RYUDHWBXSA-N 1 2 262.328 3.842 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C(F)F)cc2)o1 ZINC000231221230 333324374 /nfs/dbraw/zinc/32/43/74/333324374.db2.gz HLZIMPSQKWUYOV-JTQLQIEISA-N 1 2 266.291 3.771 10 0 CHAELO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1cccs1 ZINC000079044362 334146408 /nfs/dbraw/zinc/14/64/08/334146408.db2.gz ZSEPQQPTBDNGJL-SNVBAGLBSA-N 1 2 257.362 3.808 10 0 CHAELO CCNc1ccc(CO[C@@H]2CCCC[C@@H]2CC)c[nH+]1 ZINC000050831466 520303720 /nfs/dbraw/zinc/30/37/20/520303720.db2.gz JJRBPWPLOYGWMB-LSDHHAIUSA-N 1 2 262.397 3.999 10 0 CHAELO CCCNc1cc[nH+]c2c(OC(F)F)cccc12 ZINC000050843472 520186183 /nfs/dbraw/zinc/18/61/83/520186183.db2.gz IFKLWKWFJCGARA-UHFFFAOYSA-N 1 2 252.264 3.658 10 0 CHAELO CCNc1[nH+]cccc1COc1ccc(F)cc1Cl ZINC000052733983 520378581 /nfs/dbraw/zinc/37/85/81/520378581.db2.gz XDHJYNRAOIWLRJ-UHFFFAOYSA-N 1 2 280.730 3.885 10 0 CHAELO CCCc1cc(N)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000050868694 521366728 /nfs/dbraw/zinc/36/67/28/521366728.db2.gz XYXRLGWDXVLHLG-UHFFFAOYSA-N 1 2 270.254 3.668 10 0 CHAELO CNc1cc(C(C)(C)C)[nH+]c(-c2ccc(C)cc2)n1 ZINC000050850398 522562475 /nfs/dbraw/zinc/56/24/75/522562475.db2.gz IAEHDFVDAJZYKG-UHFFFAOYSA-N 1 2 255.365 3.791 10 0 CHAELO CCc1sc([C@H](C)Nc2cc(C)[nH+]cn2)cc1C ZINC000157772389 523079818 /nfs/dbraw/zinc/07/98/18/523079818.db2.gz FUDDGDDIROMSDP-NSHDSACASA-N 1 2 261.394 3.890 10 0 CHAELO C[N@H+](Cc1ccc(Cl)cc1)Cc1nc(N)ccc1Cl ZINC000061638895 523226308 /nfs/dbraw/zinc/22/63/08/523226308.db2.gz NKPULZQKTLQYJU-UHFFFAOYSA-N 1 2 296.201 3.603 10 0 CHAELO C[N@@H+](Cc1ccc(Cl)cc1)Cc1nc(N)ccc1Cl ZINC000061638895 523226319 /nfs/dbraw/zinc/22/63/19/523226319.db2.gz NKPULZQKTLQYJU-UHFFFAOYSA-N 1 2 296.201 3.603 10 0 CHAELO COc1ccc(NC2=[NH+][C@H](CC(C)C)CS2)c(C)c1 ZINC000061568531 524675369 /nfs/dbraw/zinc/67/53/69/524675369.db2.gz PIEOCKDBKRQLMO-GFCCVEGCSA-N 1 2 278.421 3.933 10 0 CHAELO c1cc(OC2CCCC2)ccc1[NH2+]CC1CCOCC1 ZINC000052177155 526434181 /nfs/dbraw/zinc/43/41/81/526434181.db2.gz IHOYLEVZBLQQSW-UHFFFAOYSA-N 1 2 275.392 3.847 10 0 CHAELO c1ccc(-c2ccc(NC3=[NH+]CCS3)cc2)cc1 ZINC000051040516 526450882 /nfs/dbraw/zinc/45/08/82/526450882.db2.gz KCTUIRKTVMJACM-UHFFFAOYSA-N 1 2 254.358 3.868 10 0 CHAELO CCC1CCC([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000330268140 527858825 /nfs/dbraw/zinc/85/88/25/527858825.db2.gz QZEOQRMDSIFVEF-AVVWSFFYSA-N 1 2 290.455 3.985 10 0 CHAELO C[C@@H]1CCc2[nH+]c(-c3ccc(Br)s3)cn2C1 ZINC000258140402 567931031 /nfs/dbraw/zinc/93/10/31/567931031.db2.gz DCSILTLXRMZPJQ-MRVPVSSYSA-N 1 2 297.221 3.956 10 0 CHAELO Nc1c(-c2ccc(Cl)cc2)[nH+]c2c(Cl)cccn12 ZINC000082695202 178191519 /nfs/dbraw/zinc/19/15/19/178191519.db2.gz ZSCNZBZAOPAIHM-UHFFFAOYSA-N 1 2 278.142 3.890 10 0 CHAELO Nc1ccc(F)c2c1cc[nH+]c2NCc1ccccc1 ZINC000082765650 178279038 /nfs/dbraw/zinc/27/90/38/178279038.db2.gz IMMNDEYMFVGOTN-UHFFFAOYSA-N 1 2 267.307 3.568 10 0 CHAELO CCOc1cc([NH2+][C@@H](C)C(CC)CC)ccc1N ZINC000104435903 186001508 /nfs/dbraw/zinc/00/15/08/186001508.db2.gz WKKVWRYKVNHEJL-NSHDSACASA-N 1 2 250.386 3.904 10 0 CHAELO CCCNc1cc(CCC)[nH+]c(-c2ccccc2)n1 ZINC000110448715 186297479 /nfs/dbraw/zinc/29/74/79/186297479.db2.gz VRMAHKGMAZKSMA-UHFFFAOYSA-N 1 2 255.365 3.918 10 0 CHAELO Cc1cc2[nH+]cn(-c3ccc(C=O)cc3F)c2cc1C ZINC000020079205 170985560 /nfs/dbraw/zinc/98/55/60/170985560.db2.gz WUPRMZQLAXGAPR-UHFFFAOYSA-N 1 2 268.291 3.594 10 0 CHAELO Nc1ccc[nH+]c1Nc1cc(Cl)ccc1Cl ZINC000020317638 171147630 /nfs/dbraw/zinc/14/76/30/171147630.db2.gz XVZJDCPNNYLJGX-UHFFFAOYSA-N 1 2 254.120 3.714 10 0 CHAELO CCN(c1ccc(N)c[nH+]1)c1cccc2ccccc21 ZINC000022154445 171361263 /nfs/dbraw/zinc/36/12/63/171361263.db2.gz QXLABDUWEOGKBA-UHFFFAOYSA-N 1 2 263.344 3.975 10 0 CHAELO CC1CCC(Oc2ccc(N)c3c[nH+]ccc23)CC1 ZINC000035333106 172131715 /nfs/dbraw/zinc/13/17/15/172131715.db2.gz HVGHJDYAQGVIHU-UHFFFAOYSA-N 1 2 256.349 3.775 10 0 CHAELO Cc1cc2[nH+]cn(-c3cccc(F)c3[C@@H](C)O)c2cc1C ZINC000035631818 172313945 /nfs/dbraw/zinc/31/39/45/172313945.db2.gz HUZWAYGLSIJTAH-GFCCVEGCSA-N 1 2 284.334 3.835 10 0 CHAELO COc1ccc([C@H]([NH3+])C(F)(F)C(F)(F)F)c(Cl)c1 ZINC000036767784 172686680 /nfs/dbraw/zinc/68/66/80/172686680.db2.gz CVIKAZRSDISXLH-QMMMGPOBSA-N 1 2 289.631 3.546 10 0 CHAELO CCCCC[N@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037165460 173000436 /nfs/dbraw/zinc/00/04/36/173000436.db2.gz VHFYMOQZGRSCBW-UHFFFAOYSA-N 1 2 260.303 3.914 10 0 CHAELO CCCCC[N@@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037165460 173000437 /nfs/dbraw/zinc/00/04/37/173000437.db2.gz VHFYMOQZGRSCBW-UHFFFAOYSA-N 1 2 260.303 3.914 10 0 CHAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(OC)cc1 ZINC000040227381 174208767 /nfs/dbraw/zinc/20/87/67/174208767.db2.gz ZGCDRJSVCHLGPR-UHFFFAOYSA-N 1 2 296.370 3.686 10 0 CHAELO CCc1[nH+]c2ccccc2n1CCOc1ccccc1C ZINC000040227340 174208773 /nfs/dbraw/zinc/20/87/73/174208773.db2.gz RVYAZJJRJUPWTO-UHFFFAOYSA-N 1 2 280.371 3.986 10 0 CHAELO CCOCCn1c(CC)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040404886 174254272 /nfs/dbraw/zinc/25/42/72/174254272.db2.gz UKNPPZCZJQRADH-UHFFFAOYSA-N 1 2 286.297 3.654 10 0 CHAELO Cc1ccc(C)c(Nc2[nH+]cnc(NCCC(C)C)c2N)c1 ZINC000040704662 174378947 /nfs/dbraw/zinc/37/89/47/174378947.db2.gz LOGUZJIOGAGGIJ-UHFFFAOYSA-N 1 2 299.422 3.877 10 0 CHAELO Cc1ccc(C)c(Nc2nc[nH+]c(NCCC(C)C)c2N)c1 ZINC000040704662 174378949 /nfs/dbraw/zinc/37/89/49/174378949.db2.gz LOGUZJIOGAGGIJ-UHFFFAOYSA-N 1 2 299.422 3.877 10 0 CHAELO C[C@H](Cc1cccc(F)c1)Nc1cc[nH+]c(C2CC2)n1 ZINC000301289618 227500808 /nfs/dbraw/zinc/50/08/08/227500808.db2.gz OGPMYLKMJZFKLQ-LLVKDONJSA-N 1 2 271.339 3.536 10 0 CHAELO COc1ccc2c(c1)CCC[C@H]2Nc1c[nH+]ccc1C ZINC000071412938 260162219 /nfs/dbraw/zinc/16/22/19/260162219.db2.gz IEHHFKZLSIUSLE-MRXNPFEDSA-N 1 2 268.360 3.888 10 0 CHAELO CCn1cc[nH+]c1CSCc1ccccc1OC(F)F ZINC000175279458 261218470 /nfs/dbraw/zinc/21/84/70/261218470.db2.gz LFLVXOSQZOMPNE-UHFFFAOYSA-N 1 2 298.358 3.938 10 0 CHAELO CCn1cc[nH+]c1C[S@](=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000177294657 261345198 /nfs/dbraw/zinc/34/51/98/261345198.db2.gz FFFXTXLCFAWVTI-WLRWDXFRSA-N 1 2 296.823 3.566 10 0 CHAELO Fc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000189110557 264272335 /nfs/dbraw/zinc/27/23/35/264272335.db2.gz DGCUZSPOHPDCMS-OAHLLOKOSA-N 1 2 293.773 3.929 10 0 CHAELO Fc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000189110557 264272338 /nfs/dbraw/zinc/27/23/38/264272338.db2.gz DGCUZSPOHPDCMS-OAHLLOKOSA-N 1 2 293.773 3.929 10 0 CHAELO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccco1 ZINC000090802924 264412306 /nfs/dbraw/zinc/41/23/06/264412306.db2.gz VRAUCGDXRIGXLP-MRVPVSSYSA-N 1 2 256.227 3.867 10 0 CHAELO C[C@H]([NH2+]Cc1nc(-c2cccs2)no1)c1cccs1 ZINC000171111489 329074632 /nfs/dbraw/zinc/07/46/32/329074632.db2.gz SBGMYKYYCDNQMQ-VIFPVBQESA-N 1 2 291.401 3.710 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)o1 ZINC000219483725 329164324 /nfs/dbraw/zinc/16/43/24/329164324.db2.gz YOPRLVQEJGLXRI-NSHDSACASA-N 1 2 264.756 3.796 10 0 CHAELO Cc1cccc(-c2noc(C[NH2+][C@@H](C)c3cccs3)n2)c1 ZINC000182548237 329242987 /nfs/dbraw/zinc/24/29/87/329242987.db2.gz BRZYYEKUWJUYCC-LBPRGKRZSA-N 1 2 299.399 3.957 10 0 CHAELO Cc1ccccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185866424 329333774 /nfs/dbraw/zinc/33/37/74/329333774.db2.gz OQLILCMTSOKBFG-UHFFFAOYSA-N 1 2 289.382 3.742 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C)o1 ZINC000231901061 329381445 /nfs/dbraw/zinc/38/14/45/329381445.db2.gz ZUZXJOXHEIVFIC-NSHDSACASA-N 1 2 264.756 3.796 10 0 CHAELO Cc1csc([C@H](C)[NH2+][C@@H](C)c2csc(C)n2)n1 ZINC000080270272 330116176 /nfs/dbraw/zinc/11/61/76/330116176.db2.gz NQHQFCZNHAIVOB-IUCAKERBSA-N 1 2 267.423 3.628 10 0 CHAELO CC(C)c1ccc(NC(=O)[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000080467189 330132191 /nfs/dbraw/zinc/13/21/91/330132191.db2.gz CHTRAOABRFOJRQ-OAHLLOKOSA-N 1 2 283.375 3.523 10 0 CHAELO Cc1noc(C)c1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000105839287 330329250 /nfs/dbraw/zinc/32/92/50/330329250.db2.gz ZFNADFVLGYPZBK-QGZVFWFLSA-N 1 2 282.343 3.764 10 0 CHAELO Fc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)ccc1Br ZINC000533081560 330331616 /nfs/dbraw/zinc/33/16/16/330331616.db2.gz BHHNPQMXSBENTC-MFKMUULPSA-N 1 2 284.172 3.573 10 0 CHAELO Fc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)ccc1Br ZINC000533081560 330331617 /nfs/dbraw/zinc/33/16/17/330331617.db2.gz BHHNPQMXSBENTC-MFKMUULPSA-N 1 2 284.172 3.573 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc3ccccc3o2)o1 ZINC000220908432 333170478 /nfs/dbraw/zinc/17/04/78/333170478.db2.gz NRLSNAHDOJEMCK-NSHDSACASA-N 1 2 256.305 3.580 10 0 CHAELO CCCC[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000230488129 333318834 /nfs/dbraw/zinc/31/88/34/333318834.db2.gz VOHOCMZFDYBFDR-FZMZJTMJSA-N 1 2 283.799 3.722 10 0 CHAELO CCn1cc[nH+]c1C[S@@](=O)Cc1cccc2ccccc21 ZINC000081526863 334194259 /nfs/dbraw/zinc/19/42/59/334194259.db2.gz MMDKXASIDMBANT-OAQYLSRUSA-N 1 2 298.411 3.505 10 0 CHAELO CCn1c(C)nnc1C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000195056613 336043936 /nfs/dbraw/zinc/04/39/36/336043936.db2.gz VDPXACRQMPDPDK-GFCCVEGCSA-N 1 2 298.390 3.546 10 0 CHAELO CCn1c(C)nnc1C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000195056613 336043938 /nfs/dbraw/zinc/04/39/38/336043938.db2.gz VDPXACRQMPDPDK-GFCCVEGCSA-N 1 2 298.390 3.546 10 0 CHAELO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)c1ncccn1 ZINC000055224948 520016724 /nfs/dbraw/zinc/01/67/24/520016724.db2.gz XEGQBZPDWVZHEK-ZDUSSCGKSA-N 1 2 296.201 3.872 10 0 CHAELO CC(C)n1cc[nH+]c1CNc1cccc(F)c1Cl ZINC000290065198 520033647 /nfs/dbraw/zinc/03/36/47/520033647.db2.gz IXCJKZCJQKFUCM-UHFFFAOYSA-N 1 2 267.735 3.869 10 0 CHAELO CCCNc1[nH+]cccc1COc1cccc(F)c1 ZINC000052754554 520196646 /nfs/dbraw/zinc/19/66/46/520196646.db2.gz DLRASDXKNWHLQD-UHFFFAOYSA-N 1 2 260.312 3.622 10 0 CHAELO CN(C)c1[nH+]cccc1N[C@H]1CCCc2sccc21 ZINC000061326861 522377295 /nfs/dbraw/zinc/37/72/95/522377295.db2.gz QIWRFMKWCSQCIK-LBPRGKRZSA-N 1 2 273.405 3.699 10 0 CHAELO Cc1noc(C)c1[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000078678648 526576991 /nfs/dbraw/zinc/57/69/91/526576991.db2.gz FLZQJPJQQMSGQW-JTQLQIEISA-N 1 2 274.368 3.686 10 0 CHAELO C[C@@H]1CCn2cc(-c3ccccc3Br)[nH+]c2C1 ZINC000258432732 567930915 /nfs/dbraw/zinc/93/09/15/567930915.db2.gz OUCCDLWNFYOXMI-SNVBAGLBSA-N 1 2 291.192 3.895 10 0 CHAELO FC(F)(F)c1ccc(Br)c(-c2[nH]cc[nH+]2)c1 ZINC000225254143 567952682 /nfs/dbraw/zinc/95/26/82/567952682.db2.gz ZSKPHZSRLWUZCT-UHFFFAOYSA-N 1 2 291.070 3.858 10 0 CHAELO c1ccc(OCCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000005286390 170083422 /nfs/dbraw/zinc/08/34/22/170083422.db2.gz ZSRJZTUPHCWECZ-UHFFFAOYSA-N 1 2 252.317 3.575 10 0 CHAELO Cc1[nH+]c2ccccc2n1Cc1c(F)cccc1F ZINC000005893046 170150747 /nfs/dbraw/zinc/15/07/47/170150747.db2.gz YNPAZAWNADNDRF-UHFFFAOYSA-N 1 2 258.271 3.671 10 0 CHAELO COc1ccc([NH2+][C@@H](C)CCC(C)C)c(OC)c1 ZINC000021808359 171328356 /nfs/dbraw/zinc/32/83/56/171328356.db2.gz BGHXSBBZWFYXCV-LBPRGKRZSA-N 1 2 251.370 3.940 10 0 CHAELO CC(C)c1nc([C@@H]([NH3+])c2cccc(Cl)c2Cl)no1 ZINC000036763617 172681964 /nfs/dbraw/zinc/68/19/64/172681964.db2.gz CTYKMGXOPDCXCF-JTQLQIEISA-N 1 2 286.162 3.548 10 0 CHAELO CC[C@@H](C)C[N@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037172826 173006371 /nfs/dbraw/zinc/00/63/71/173006371.db2.gz WXLCIIYOSCEZKM-SECBINFHSA-N 1 2 260.303 3.770 10 0 CHAELO CC[C@@H](C)C[N@@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037172826 173006372 /nfs/dbraw/zinc/00/63/72/173006372.db2.gz WXLCIIYOSCEZKM-SECBINFHSA-N 1 2 260.303 3.770 10 0 CHAELO CC1CCC(Nc2ccc3[nH+]cccc3c2N)CC1 ZINC000037377627 173165973 /nfs/dbraw/zinc/16/59/73/173165973.db2.gz CJZOWFOWOFMXTJ-UHFFFAOYSA-N 1 2 255.365 3.808 10 0 CHAELO C[C@@H]1CCCC[C@@H]1Nc1ccc2[nH+]cccc2c1N ZINC000037377580 173166234 /nfs/dbraw/zinc/16/62/34/173166234.db2.gz WKFIYRLQTHBOQD-YPMHNXCESA-N 1 2 255.365 3.808 10 0 CHAELO CCOC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccccc1C ZINC000037972212 173924875 /nfs/dbraw/zinc/92/48/75/173924875.db2.gz GRYNWIDDCVJRGQ-INIZCTEOSA-N 1 2 275.392 3.522 10 0 CHAELO O=C(Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1Cl ZINC000039139935 174164411 /nfs/dbraw/zinc/16/44/11/174164411.db2.gz GBJGCFUUYUYALL-UHFFFAOYSA-N 1 2 289.549 3.726 10 0 CHAELO CCOCCCn1c2cc(Cl)ccc2[nH+]c1C1CC1 ZINC000040403257 174253836 /nfs/dbraw/zinc/25/38/36/174253836.db2.gz SKEZYUKKOKGXCB-UHFFFAOYSA-N 1 2 278.783 3.994 10 0 CHAELO CC(C)(C)Nc1nc[nH+]c(Nc2ccc(Cl)cc2)c1N ZINC000040680592 174375121 /nfs/dbraw/zinc/37/51/21/174375121.db2.gz AXRPOFAXDCDUMV-UHFFFAOYSA-N 1 2 291.786 3.666 10 0 CHAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccc(Cl)cc2)c1N ZINC000040680592 174375123 /nfs/dbraw/zinc/37/51/23/174375123.db2.gz AXRPOFAXDCDUMV-UHFFFAOYSA-N 1 2 291.786 3.666 10 0 CHAELO Cc1ccc(Cl)cc1Nc1[nH+]cnc(NC(C)C)c1N ZINC000040704777 174379160 /nfs/dbraw/zinc/37/91/60/174379160.db2.gz UPOQVCKBBZROQK-UHFFFAOYSA-N 1 2 291.786 3.585 10 0 CHAELO Cc1ccc(Cl)cc1Nc1nc[nH+]c(NC(C)C)c1N ZINC000040704777 174379161 /nfs/dbraw/zinc/37/91/61/174379161.db2.gz UPOQVCKBBZROQK-UHFFFAOYSA-N 1 2 291.786 3.585 10 0 CHAELO CCCCNc1[nH+]cnc(Nc2ccccc2Cl)c1N ZINC000040706561 174379694 /nfs/dbraw/zinc/37/96/94/174379694.db2.gz XAHPPEXXRYUJJM-UHFFFAOYSA-N 1 2 291.786 3.668 10 0 CHAELO CCCNc1nc[nH+]c(Nc2ccc(C(C)C)cc2)c1N ZINC000040705974 174379867 /nfs/dbraw/zinc/37/98/67/174379867.db2.gz IWBFBVGIOCLLSD-UHFFFAOYSA-N 1 2 285.395 3.748 10 0 CHAELO CCCNc1[nH+]cnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040705974 174379868 /nfs/dbraw/zinc/37/98/68/174379868.db2.gz IWBFBVGIOCLLSD-UHFFFAOYSA-N 1 2 285.395 3.748 10 0 CHAELO c1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000301192684 227471786 /nfs/dbraw/zinc/47/17/86/227471786.db2.gz XIHLERDJSXMJFR-INIZCTEOSA-N 1 2 294.402 3.566 10 0 CHAELO c1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000301192684 227471789 /nfs/dbraw/zinc/47/17/89/227471789.db2.gz XIHLERDJSXMJFR-INIZCTEOSA-N 1 2 294.402 3.566 10 0 CHAELO Cc1nc([C@@H](C)[NH2+]Cc2nc3ccccc3s2)cs1 ZINC000036915335 260050839 /nfs/dbraw/zinc/05/08/39/260050839.db2.gz HVYNNKWBXCYRCQ-SECBINFHSA-N 1 2 289.429 3.912 10 0 CHAELO Clc1sccc1C[NH2+][C@H]1COc2ccccc21 ZINC000312580185 260157555 /nfs/dbraw/zinc/15/75/55/260157555.db2.gz KDRQVAMEKPCERS-NSHDSACASA-N 1 2 265.765 3.625 10 0 CHAELO Cc1cccc([C@@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000173705688 261168791 /nfs/dbraw/zinc/16/87/91/261168791.db2.gz LDKCKULMBBVUEV-OAHLLOKOSA-N 1 2 297.446 3.971 10 0 CHAELO CC(C)n1cc[nH+]c1CSCCOC(C)(C)C ZINC000175294634 261216942 /nfs/dbraw/zinc/21/69/42/261216942.db2.gz HTTHISKXJMVMTD-UHFFFAOYSA-N 1 2 256.415 3.512 10 0 CHAELO Cc1cccc([C@@H](C)[S@@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000176845172 261672357 /nfs/dbraw/zinc/67/23/57/261672357.db2.gz BCHUGYAYNJLHMU-VLIAUNLRSA-N 1 2 290.432 3.782 10 0 CHAELO Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000115002596 267088591 /nfs/dbraw/zinc/08/85/91/267088591.db2.gz JQQVACFLYZEMAS-CQSZACIVSA-N 1 2 298.386 3.957 10 0 CHAELO CC(C)c1nc(N2CCC[C@@H]2c2ccco2)cc[nH+]1 ZINC000116263331 267135034 /nfs/dbraw/zinc/13/50/34/267135034.db2.gz VFNOCABTZPNNDU-GFCCVEGCSA-N 1 2 257.337 3.535 10 0 CHAELO c1coc([C@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000116287567 267136077 /nfs/dbraw/zinc/13/60/77/267136077.db2.gz PSIOZONGRQEXOK-QGZVFWFLSA-N 1 2 293.370 3.802 10 0 CHAELO c1coc([C@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000116287567 267136082 /nfs/dbraw/zinc/13/60/82/267136082.db2.gz PSIOZONGRQEXOK-QGZVFWFLSA-N 1 2 293.370 3.802 10 0 CHAELO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000120935525 267531964 /nfs/dbraw/zinc/53/19/64/267531964.db2.gz GQWBYWFGHMVIJY-SNVBAGLBSA-N 1 2 291.301 3.551 10 0 CHAELO CNc1nc(-c2ccc(Br)cc2)[nH+]c(C)c1C ZINC000050864091 522674216 /nfs/dbraw/zinc/67/42/16/522674216.db2.gz QCJJXBFMTZWKBX-UHFFFAOYSA-N 1 2 292.180 3.565 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)sc2C)o1 ZINC000220945484 329204055 /nfs/dbraw/zinc/20/40/55/329204055.db2.gz IXUIWNKWGWVDEB-SNVBAGLBSA-N 1 2 250.367 3.512 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(Br)c2)o1 ZINC000220924704 329204067 /nfs/dbraw/zinc/20/40/67/329204067.db2.gz CLLALUCWRCPVIY-JTQLQIEISA-N 1 2 295.180 3.596 10 0 CHAELO CSc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC000220920068 329204074 /nfs/dbraw/zinc/20/40/74/329204074.db2.gz CPPIZBJIXODJHK-NSHDSACASA-N 1 2 262.378 3.556 10 0 CHAELO Cc1ccc(-c2n[nH]cc2CNc2c[nH+]ccc2C)cc1 ZINC000184895085 329263747 /nfs/dbraw/zinc/26/37/47/329263747.db2.gz GETWPQVUOYRNKL-UHFFFAOYSA-N 1 2 278.359 3.701 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)cc2Cl)o1 ZINC000230646708 329367795 /nfs/dbraw/zinc/36/77/95/329367795.db2.gz UOADDVUPACPCKA-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2F)o1 ZINC000230932829 329372505 /nfs/dbraw/zinc/37/25/05/329372505.db2.gz BQYZVDHKCJIHKX-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO Cc1cc(NC(=O)N2CC=C(c3cccs3)CC2)cc[nH+]1 ZINC000119223386 329547777 /nfs/dbraw/zinc/54/77/77/329547777.db2.gz OZAWZLJQRZVGIN-UHFFFAOYSA-N 1 2 299.399 3.773 10 0 CHAELO CC[C@H](c1ccccc1)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176844396 333048997 /nfs/dbraw/zinc/04/89/97/333048997.db2.gz YEPPKHHTOORFPM-QRWLVFNGSA-N 1 2 290.432 3.864 10 0 CHAELO CC(C)Oc1ccc([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085631179 519781240 /nfs/dbraw/zinc/78/12/40/519781240.db2.gz GGWZCILIQWOHEC-JYJNAYRXSA-N 1 2 275.392 3.699 10 0 CHAELO CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2cccs2)no1 ZINC000127878472 519868506 /nfs/dbraw/zinc/86/85/06/519868506.db2.gz XETPMJBUMJNEKL-GFCCVEGCSA-N 1 2 277.393 3.592 10 0 CHAELO CC(C)c1nc([C@H]2CCC[N@H+]2Cc2cccs2)no1 ZINC000127878472 519868508 /nfs/dbraw/zinc/86/85/08/519868508.db2.gz XETPMJBUMJNEKL-GFCCVEGCSA-N 1 2 277.393 3.592 10 0 CHAELO CNc1[nH+]cccc1CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052755063 522710355 /nfs/dbraw/zinc/71/03/55/522710355.db2.gz DLSWNPWHETVVRY-OCCSQVGLSA-N 1 2 262.397 3.855 10 0 CHAELO Cc1ccc(C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)s1 ZINC000127786463 524450776 /nfs/dbraw/zinc/45/07/76/524450776.db2.gz RKTLUFBTNQBZEV-CYBMUJFWSA-N 1 2 291.420 3.900 10 0 CHAELO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)s1 ZINC000127786463 524450784 /nfs/dbraw/zinc/45/07/84/524450784.db2.gz RKTLUFBTNQBZEV-CYBMUJFWSA-N 1 2 291.420 3.900 10 0 CHAELO C[C@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccc(Cl)s1 ZINC000061812888 525671851 /nfs/dbraw/zinc/67/18/51/525671851.db2.gz GLVLNGWOTKLSPP-ZETCQYMHSA-N 1 2 297.836 3.604 10 0 CHAELO C[C@@H]1CCn2cc(-c3ccc(Cl)s3)[nH+]c2C1 ZINC000258531818 567931015 /nfs/dbraw/zinc/93/10/15/567931015.db2.gz SGTIETZPQHVQLO-MRVPVSSYSA-N 1 2 252.770 3.847 10 0 CHAELO Clc1cc([C@H]2[NH2+]CCc3ccoc32)c(Cl)s1 ZINC000701290279 570276910 /nfs/dbraw/zinc/27/69/10/570276910.db2.gz MPBMDAXBJVDNRR-SECBINFHSA-N 1 2 274.172 3.883 10 0 CHAELO O[NH2+]c1ccc(-n2c3ccccc3c3ccncc32)cc1 ZINC000013282588 230371150 /nfs/dbraw/zinc/37/11/50/230371150.db2.gz LECLBYWFRKFHIQ-UHFFFAOYSA-N 1 2 275.311 3.980 10 0 in-vitro CHAELO Cn1cc[nH+]c1-c1cc(Cl)cc(Br)c1 ZINC000082739607 178261475 /nfs/dbraw/zinc/26/14/75/178261475.db2.gz UMUCIMSNTLFNLV-UHFFFAOYSA-N 1 2 271.545 3.503 10 0 CHAELO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2ccccc2Cl)C1 ZINC000034989298 171915538 /nfs/dbraw/zinc/91/55/38/171915538.db2.gz PRFQZLDYERBCQJ-TXEJJXNPSA-N 1 2 265.784 3.501 10 0 CHAELO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)c2ccccc2Cl)C1 ZINC000034989298 171915540 /nfs/dbraw/zinc/91/55/40/171915540.db2.gz PRFQZLDYERBCQJ-TXEJJXNPSA-N 1 2 265.784 3.501 10 0 CHAELO Cc1cc2[nH+]cn(-c3ccc(F)cc3[C@@H](C)O)c2cc1C ZINC000035631824 172313462 /nfs/dbraw/zinc/31/34/62/172313462.db2.gz LJIMHBHKDYZYOW-GFCCVEGCSA-N 1 2 284.334 3.835 10 0 CHAELO CCCn1c(C[NH2+][C@@H](C)c2ccco2)nc2ccccc21 ZINC000038046771 174056162 /nfs/dbraw/zinc/05/61/62/174056162.db2.gz MYXRVWCJAWZSCN-ZDUSSCGKSA-N 1 2 283.375 3.890 10 0 CHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCCCCC1 ZINC000040231391 174209909 /nfs/dbraw/zinc/20/99/09/174209909.db2.gz NESYJSXWSKRALW-UHFFFAOYSA-N 1 2 299.418 3.562 10 0 CHAELO Cc1ccc(Nc2[nH+]cnc(NC3CCCC3)c2N)cc1C ZINC000040703031 174379087 /nfs/dbraw/zinc/37/90/87/174379087.db2.gz FAYSPOWCPYFQSU-UHFFFAOYSA-N 1 2 297.406 3.774 10 0 CHAELO CC(C)Nc1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040708117 174380377 /nfs/dbraw/zinc/38/03/77/174380377.db2.gz ONVNTKGNEFIBGG-UHFFFAOYSA-N 1 2 293.374 3.776 10 0 CHAELO CC(C)Nc1nc[nH+]c(Nc2cccc3ccccc32)c1N ZINC000040708117 174380378 /nfs/dbraw/zinc/38/03/78/174380378.db2.gz ONVNTKGNEFIBGG-UHFFFAOYSA-N 1 2 293.374 3.776 10 0 CHAELO Oc1ccc(Nc2[nH]c3cc(Cl)ccc3[nH+]2)cc1 ZINC000045902949 175386314 /nfs/dbraw/zinc/38/63/14/175386314.db2.gz MSFGYYRPEPXDEP-UHFFFAOYSA-N 1 2 259.696 3.666 10 0 CHAELO CCOc1ccc2[nH+]c(Nc3ccc(OC)cc3)[nH]c2c1 ZINC000045918801 175386377 /nfs/dbraw/zinc/38/63/77/175386377.db2.gz VKZPMDNNSSWQPW-UHFFFAOYSA-N 1 2 283.331 3.714 10 0 CHAELO C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1cccs1 ZINC000036901001 260050033 /nfs/dbraw/zinc/05/00/33/260050033.db2.gz KBEGLODMKDFWPC-LBPRGKRZSA-N 1 2 299.399 3.573 10 0 CHAELO CCn1cc[nH+]c1CSCCCOc1ccccc1C ZINC000175294838 261216994 /nfs/dbraw/zinc/21/69/94/261216994.db2.gz TTYGRXSHOLWKGX-UHFFFAOYSA-N 1 2 290.432 3.914 10 0 CHAELO CC(C)n1cc[nH+]c1CSc1ccccc1F ZINC000171675637 261476891 /nfs/dbraw/zinc/47/68/91/261476891.db2.gz OCLHFMPRXYZCHV-UHFFFAOYSA-N 1 2 250.342 3.895 10 0 CHAELO Cc1cc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)c(C)s1 ZINC000176836110 261671487 /nfs/dbraw/zinc/67/14/87/261671487.db2.gz QEPZNMUZFNAUAC-LJQANCHMSA-N 1 2 296.461 3.591 10 0 CHAELO Cc1cc(C)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)[nH+]1 ZINC000172044225 329083673 /nfs/dbraw/zinc/08/36/73/329083673.db2.gz WWENZHULWIWFQW-SJKOYZFVSA-N 1 2 296.370 3.510 10 0 CHAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccncc1 ZINC000181591216 329234854 /nfs/dbraw/zinc/23/48/54/329234854.db2.gz PBMHOVPHFKDORU-GFCCVEGCSA-N 1 2 297.333 3.727 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C)o1 ZINC000231901059 329381606 /nfs/dbraw/zinc/38/16/06/329381606.db2.gz ZUZXJOXHEIVFIC-LLVKDONJSA-N 1 2 264.756 3.796 10 0 CHAELO CC(C)c1ccc(NC(=O)[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000080467192 330132200 /nfs/dbraw/zinc/13/22/00/330132200.db2.gz CHTRAOABRFOJRQ-HNNXBMFYSA-N 1 2 283.375 3.523 10 0 CHAELO Cc1nc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)oc1C ZINC000223650096 333210461 /nfs/dbraw/zinc/21/04/61/333210461.db2.gz KETUKHATHDWWSH-CYBMUJFWSA-N 1 2 258.365 3.759 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C3CC3)c2)o1 ZINC000231738625 333328863 /nfs/dbraw/zinc/32/88/63/333328863.db2.gz OCUFXRPCNRXVBI-LBPRGKRZSA-N 1 2 256.349 3.711 10 0 CHAELO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2csnn2)cc1 ZINC000036954635 519451207 /nfs/dbraw/zinc/45/12/07/519451207.db2.gz KMFXCCCCSAJOMU-LBPRGKRZSA-N 1 2 275.421 3.587 10 0 CHAELO CCNc1nc(-c2ccc(C)cc2C)[nH+]c(C)c1C ZINC000050865982 520349720 /nfs/dbraw/zinc/34/97/20/520349720.db2.gz KETAFIGHFADJCU-UHFFFAOYSA-N 1 2 255.365 3.809 10 0 CHAELO CNc1nc(Cc2ccc(F)cc2Cl)[nH+]c(C)c1C ZINC000062608820 522686529 /nfs/dbraw/zinc/68/65/29/522686529.db2.gz YRDURQVZTPYLOF-UHFFFAOYSA-N 1 2 279.746 3.518 10 0 CHAELO COc1ccc(Cl)c2c(N)c(C(C)C)c(C)[nH+]c12 ZINC000061687732 524189347 /nfs/dbraw/zinc/18/93/47/524189347.db2.gz BGBGVBOHYOLLIT-UHFFFAOYSA-N 1 2 264.756 3.911 10 0 CHAELO C[C@H]1CCn2cc(-c3ccc(Br)cc3)[nH+]c2C1 ZINC000258457751 567930938 /nfs/dbraw/zinc/93/09/38/567930938.db2.gz PSXALDWMJDTNMX-JTQLQIEISA-N 1 2 291.192 3.895 10 0 CHAELO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275534202 570275738 /nfs/dbraw/zinc/27/57/38/570275738.db2.gz MCQXSZCDRHDXRQ-INIZCTEOSA-N 1 2 285.391 3.527 10 0 CHAELO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275534202 570275740 /nfs/dbraw/zinc/27/57/40/570275740.db2.gz MCQXSZCDRHDXRQ-INIZCTEOSA-N 1 2 285.391 3.527 10 0 CHAELO Cc1ncc(C[N@H+]2CCC[C@H]2c2csc(C)n2)s1 ZINC000189812800 1126935349 /nfs/dbraw/zinc/93/53/49/1126935349.db2.gz DMGCERRYOIWADM-ZDUSSCGKSA-N 1 2 279.434 3.554 10 0 CHAELO Cc1ncc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)s1 ZINC000189812800 1126935353 /nfs/dbraw/zinc/93/53/53/1126935353.db2.gz DMGCERRYOIWADM-ZDUSSCGKSA-N 1 2 279.434 3.554 10 0 CHAELO CC[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1cccs1 ZINC000368606805 1118057855 /nfs/dbraw/zinc/05/78/55/1118057855.db2.gz FZIWBHUZSMQUDU-NWDGAFQWSA-N 1 2 261.394 3.590 10 0 CHAELO CCOc1cc([NH2+][C@H](C)C(CC)CC)ccc1N ZINC000104435899 186001320 /nfs/dbraw/zinc/00/13/20/186001320.db2.gz WKKVWRYKVNHEJL-LLVKDONJSA-N 1 2 250.386 3.904 10 0 CHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)NC1CCCCC1 ZINC000005238425 170078572 /nfs/dbraw/zinc/07/85/72/170078572.db2.gz NZWQGLMMPMCRNG-UHFFFAOYSA-N 1 2 299.418 3.609 10 0 CHAELO Cc1[nH+]c2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000007343835 170278567 /nfs/dbraw/zinc/27/85/67/170278567.db2.gz POZKKKLLQMVARO-UHFFFAOYSA-N 1 2 284.746 3.881 10 0 CHAELO [NH3+][C@H](c1cc2cc(Cl)ccc2o1)c1ccccn1 ZINC000020592856 171262685 /nfs/dbraw/zinc/26/26/85/171262685.db2.gz HKNHBVBMCHFSQE-AWEZNQCLSA-N 1 2 258.708 3.529 10 0 CHAELO Nc1ccc(SCc2c(F)cccc2Cl)c[nH+]1 ZINC000037192492 173022046 /nfs/dbraw/zinc/02/20/46/173022046.db2.gz JMVSCQYVOMIIHL-UHFFFAOYSA-N 1 2 268.744 3.749 10 0 CHAELO COC(=O)[C@@](C)([NH2+]C1CCCCC1)c1cccc(Cl)c1 ZINC000037971932 173923877 /nfs/dbraw/zinc/92/38/77/173923877.db2.gz BEIYQBHBCCWXKX-INIZCTEOSA-N 1 2 295.810 3.651 10 0 CHAELO Nc1cccc(-c2ccc(SC(F)F)cc2)[nH+]1 ZINC000038069072 174080613 /nfs/dbraw/zinc/08/06/13/174080613.db2.gz LGYXAAHZFBUAQQ-UHFFFAOYSA-N 1 2 252.289 3.646 10 0 CHAELO CCN(c1ccccc1)c1nc[nH+]c(NC2CCCC2)c1N ZINC000040679788 174374971 /nfs/dbraw/zinc/37/49/71/174374971.db2.gz VDHHOPSRYOUQHP-UHFFFAOYSA-N 1 2 297.406 3.571 10 0 CHAELO Cc1cc(C)cc(Nc2[nH+]cnc(NCCC(C)C)c2N)c1 ZINC000040682156 174375499 /nfs/dbraw/zinc/37/54/99/174375499.db2.gz LRDXGSBOGUQNKO-UHFFFAOYSA-N 1 2 299.422 3.877 10 0 CHAELO Cc1ccccc1Nc1[nH+]cnc(NC2CCCCC2)c1N ZINC000040708569 174380359 /nfs/dbraw/zinc/38/03/59/174380359.db2.gz QABVLNJGENGMCC-UHFFFAOYSA-N 1 2 297.406 3.855 10 0 CHAELO CCn1cc[nH+]c1C[S@@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000177294672 261345200 /nfs/dbraw/zinc/34/52/00/261345200.db2.gz FFFXTXLCFAWVTI-NSPYISDASA-N 1 2 296.823 3.566 10 0 CHAELO CC(C)c1noc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000183201646 261967232 /nfs/dbraw/zinc/96/72/32/261967232.db2.gz RGDZYFQKTMPPKE-MRXNPFEDSA-N 1 2 299.418 3.996 10 0 CHAELO CC(C)n1cc[nH+]c1CN1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184794290 262029761 /nfs/dbraw/zinc/02/97/61/262029761.db2.gz KTLZBQMWWOHCAL-ZDUSSCGKSA-N 1 2 295.386 3.544 10 0 CHAELO C[N@H+](Cc1cscn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291250458 263121127 /nfs/dbraw/zinc/12/11/27/263121127.db2.gz LYRZEAGXNUYMHL-MNOVXSKESA-N 1 2 278.343 3.696 10 0 CHAELO C[N@@H+](Cc1cscn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291250458 263121128 /nfs/dbraw/zinc/12/11/28/263121128.db2.gz LYRZEAGXNUYMHL-MNOVXSKESA-N 1 2 278.343 3.696 10 0 CHAELO Fc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000189110579 264272481 /nfs/dbraw/zinc/27/24/81/264272481.db2.gz DGCUZSPOHPDCMS-HNNXBMFYSA-N 1 2 293.773 3.929 10 0 CHAELO Fc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000189110579 264272484 /nfs/dbraw/zinc/27/24/84/264272484.db2.gz DGCUZSPOHPDCMS-HNNXBMFYSA-N 1 2 293.773 3.929 10 0 CHAELO COc1ccc([C@@H](C)Nc2ccc[nH+]c2C)cc1F ZINC000091495280 327102510 /nfs/dbraw/zinc/10/25/10/327102510.db2.gz URWKISASPLSBCH-SNVBAGLBSA-N 1 2 260.312 3.711 10 0 CHAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncc(C)o2)o1 ZINC000173796682 329152374 /nfs/dbraw/zinc/15/23/74/329152374.db2.gz PELZTYKQGSBLQM-AWEZNQCLSA-N 1 2 274.364 3.866 10 0 CHAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2ncc(C)o2)o1 ZINC000173796682 329152375 /nfs/dbraw/zinc/15/23/75/329152375.db2.gz PELZTYKQGSBLQM-AWEZNQCLSA-N 1 2 274.364 3.866 10 0 CHAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547609 329198148 /nfs/dbraw/zinc/19/81/48/329198148.db2.gz MSAWIQXIHDMXHC-NHYWBVRUSA-N 1 2 298.415 3.615 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccc(C)c3)no2)o1 ZINC000182572817 329242845 /nfs/dbraw/zinc/24/28/45/329242845.db2.gz HZDXNZBSTGSGEH-CYBMUJFWSA-N 1 2 297.358 3.797 10 0 CHAELO Cc1csc([C@H](C)[NH2+][C@H](C)c2csc(C)n2)n1 ZINC000080270280 330116248 /nfs/dbraw/zinc/11/62/48/330116248.db2.gz NQHQFCZNHAIVOB-BDAKNGLRSA-N 1 2 267.423 3.628 10 0 CHAELO Fc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)ccc1Br ZINC000533081558 330331546 /nfs/dbraw/zinc/33/15/46/330331546.db2.gz BHHNPQMXSBENTC-GWCFXTLKSA-N 1 2 284.172 3.573 10 0 CHAELO Fc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]32)ccc1Br ZINC000533081558 330331547 /nfs/dbraw/zinc/33/15/47/330331547.db2.gz BHHNPQMXSBENTC-GWCFXTLKSA-N 1 2 284.172 3.573 10 0 CHAELO CCNc1cc[nH+]c2c(OCC(F)(F)F)cccc12 ZINC000050843645 520348994 /nfs/dbraw/zinc/34/89/94/520348994.db2.gz RWYHMAGBFSWSEM-UHFFFAOYSA-N 1 2 270.254 3.608 10 0 CHAELO Fc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202230 534521180 /nfs/dbraw/zinc/52/11/80/534521180.db2.gz JYHOJUWVAZAMLP-HNNXBMFYSA-N 1 2 293.773 3.929 10 0 CHAELO Fc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202230 534521186 /nfs/dbraw/zinc/52/11/86/534521186.db2.gz JYHOJUWVAZAMLP-HNNXBMFYSA-N 1 2 293.773 3.929 10 0 CHAELO CCCCSCc1cc2ccc(OC)cc2[nH+]c1N ZINC000050838337 520958346 /nfs/dbraw/zinc/95/83/46/520958346.db2.gz LFYQGEFBTRNJBK-UHFFFAOYSA-N 1 2 276.405 3.859 10 0 CHAELO CCCc1cc(NC)nc(-c2ccc(SC)cc2)[nH+]1 ZINC000050864898 521378084 /nfs/dbraw/zinc/37/80/84/521378084.db2.gz XTKICXUNBGZSEK-UHFFFAOYSA-N 1 2 273.405 3.860 10 0 CHAELO CNc1cc(C)[nH+]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000050864466 522564879 /nfs/dbraw/zinc/56/48/79/522564879.db2.gz UIKWNONTKIPNHP-UHFFFAOYSA-N 1 2 268.147 3.801 10 0 CHAELO CNc1cc(COc2c(C)cc(Cl)cc2C)cc[nH+]1 ZINC000052734321 522568163 /nfs/dbraw/zinc/56/81/63/522568163.db2.gz HMRBBDMVMQCKAN-UHFFFAOYSA-N 1 2 276.767 3.973 10 0 CHAELO COc1ccc([NH2+][C@H](C)CC(C)(C)OC)cc1C ZINC000049528422 524707963 /nfs/dbraw/zinc/70/79/63/524707963.db2.gz ISQAZBMIHPWGAP-GFCCVEGCSA-N 1 2 251.370 3.619 10 0 CHAELO Cc1ccccc1CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000244263140 525171336 /nfs/dbraw/zinc/17/13/36/525171336.db2.gz WNTADHBDZMYCQH-CQSZACIVSA-N 1 2 296.418 3.633 10 0 CHAELO Cc1ccccc1CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000244263140 525171339 /nfs/dbraw/zinc/17/13/39/525171339.db2.gz WNTADHBDZMYCQH-CQSZACIVSA-N 1 2 296.418 3.633 10 0 CHAELO Cc1cc(N[C@@H](C)c2cccc(Br)c2)nc[nH+]1 ZINC000040727336 525292005 /nfs/dbraw/zinc/29/20/05/525292005.db2.gz HEEBKBYAEBBSCA-JTQLQIEISA-N 1 2 292.180 3.721 10 0 CHAELO Cc1[nH+]c[nH]c1CNc1ccc(SC(F)(F)F)cc1 ZINC000054795575 527215901 /nfs/dbraw/zinc/21/59/01/527215901.db2.gz WCWOTFUJMXHHGG-UHFFFAOYSA-N 1 2 287.310 3.942 10 0 CHAELO Nc1cc(-c2ccccc2)[nH+]c2cc(F)c(F)cc12 ZINC000050870003 527440286 /nfs/dbraw/zinc/44/02/86/527440286.db2.gz LZYAHCQPVJQAQL-UHFFFAOYSA-N 1 2 256.255 3.762 10 0 CHAELO CNc1c(N)c[nH+]c2c(Oc3ccccc3)cccc12 ZINC000584882423 570229438 /nfs/dbraw/zinc/22/94/38/570229438.db2.gz GUSSOEPBQYBHAG-UHFFFAOYSA-N 1 2 265.316 3.651 10 0 CHAELO Cc1ccc(N2Cc3ccccc3C2=[NH2+])c(Cl)c1 ZINC000020303734 171140351 /nfs/dbraw/zinc/14/03/51/171140351.db2.gz TUXPFCKQLWXZFX-UHFFFAOYSA-N 1 2 256.736 3.994 10 0 CHAELO Nc1ccc[nH+]c1Nc1ccccc1SC(F)F ZINC000020585123 171258554 /nfs/dbraw/zinc/25/85/54/171258554.db2.gz VBRRVUHBNZBWBD-UHFFFAOYSA-N 1 2 267.304 3.722 10 0 CHAELO CCCC[N@H+](CC)c1ccc(N)c(C(F)(F)F)c1 ZINC000021020034 171290483 /nfs/dbraw/zinc/29/04/83/171290483.db2.gz YOMUUGWNQRZSJE-UHFFFAOYSA-N 1 2 260.303 3.914 10 0 CHAELO CCCC[N@@H+](CC)c1ccc(N)c(C(F)(F)F)c1 ZINC000021020034 171290484 /nfs/dbraw/zinc/29/04/84/171290484.db2.gz YOMUUGWNQRZSJE-UHFFFAOYSA-N 1 2 260.303 3.914 10 0 CHAELO COC(=O)[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(C)C ZINC000035185747 172039849 /nfs/dbraw/zinc/03/98/49/172039849.db2.gz RWLFNMRNUOTLSP-DYVFJYSZSA-N 1 2 285.387 3.688 10 0 CHAELO [NH3+][C@@H](c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000035381258 172163226 /nfs/dbraw/zinc/16/32/26/172163226.db2.gz OSEZZEIJPBTGMK-VIFPVBQESA-N 1 2 292.585 3.805 10 0 CHAELO Nc1ccc(SCc2ccc(Br)cc2)c[nH+]1 ZINC000037192619 173021937 /nfs/dbraw/zinc/02/19/37/173021937.db2.gz HIXCQVJSWTUATD-UHFFFAOYSA-N 1 2 295.205 3.719 10 0 CHAELO Cc1ncsc1[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000037274246 173086620 /nfs/dbraw/zinc/08/66/20/173086620.db2.gz JQUDLYKDVDUASP-LBPRGKRZSA-N 1 2 275.421 3.999 10 0 CHAELO CCOC(=O)[C@@](C)([NH2+][C@H](C)CC)c1cccc(Cl)c1 ZINC000038067734 174079943 /nfs/dbraw/zinc/07/99/43/174079943.db2.gz XGUMBNNNKXBJOC-ABAIWWIYSA-N 1 2 283.799 3.506 10 0 CHAELO COc1ccc(Nc2[nH]c3cc(Cl)ccc3[nH+]2)cc1 ZINC000040379187 174250368 /nfs/dbraw/zinc/25/03/68/174250368.db2.gz ZOFOQSNFVIVZGY-UHFFFAOYSA-N 1 2 273.723 3.969 10 0 CHAELO CC(C)c1ccc(Nc2[nH+]cnc(N3CCCC3)c2N)cc1 ZINC000040705994 174379504 /nfs/dbraw/zinc/37/95/04/174379504.db2.gz BUKXHGIKPVXRPL-UHFFFAOYSA-N 1 2 297.406 3.526 10 0 CHAELO Cc1ccc(Nc2[nH+]cnc(NC3CCCC3)c2N)c(C)c1 ZINC000040755548 174396309 /nfs/dbraw/zinc/39/63/09/174396309.db2.gz XLIWWKLKVHRQRA-UHFFFAOYSA-N 1 2 297.406 3.774 10 0 CHAELO Cc1cccc(Nc2[nH+]cnc(NC3CCCC3)c2N)c1C ZINC000040755246 174396570 /nfs/dbraw/zinc/39/65/70/174396570.db2.gz YPNZYCSDBBQXNN-UHFFFAOYSA-N 1 2 297.406 3.774 10 0 CHAELO CCc1csc(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000071214919 176086178 /nfs/dbraw/zinc/08/61/78/176086178.db2.gz KRRVXQUXBVNPMT-UHFFFAOYSA-N 1 2 259.378 3.807 10 0 CHAELO CCCn1ccc(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000091010417 260264496 /nfs/dbraw/zinc/26/44/96/260264496.db2.gz PIPJGXXTZVDAHN-UHFFFAOYSA-N 1 2 280.375 3.696 10 0 CHAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)c1ccccc1F ZINC000177114454 261686781 /nfs/dbraw/zinc/68/67/81/261686781.db2.gz QANAFGIUDDUMNI-FKIZINRSSA-N 1 2 294.395 3.613 10 0 CHAELO Cc1cc(N[C@H](C)COCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000172781459 329138674 /nfs/dbraw/zinc/13/86/74/329138674.db2.gz WXAGBAGQTUIORP-CQSZACIVSA-N 1 2 297.402 3.680 10 0 CHAELO CCn1ccnc1C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000172869160 329139545 /nfs/dbraw/zinc/13/95/45/329139545.db2.gz LFJLSZZVGOIMRI-AWEZNQCLSA-N 1 2 273.380 3.532 10 0 CHAELO CCn1ccnc1C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000172869160 329139546 /nfs/dbraw/zinc/13/95/46/329139546.db2.gz LFJLSZZVGOIMRI-AWEZNQCLSA-N 1 2 273.380 3.532 10 0 CHAELO CCn1ccnc1C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000172869155 329139549 /nfs/dbraw/zinc/13/95/49/329139549.db2.gz LFJLSZZVGOIMRI-CQSZACIVSA-N 1 2 273.380 3.532 10 0 CHAELO CCn1ccnc1C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000172869155 329139550 /nfs/dbraw/zinc/13/95/50/329139550.db2.gz LFJLSZZVGOIMRI-CQSZACIVSA-N 1 2 273.380 3.532 10 0 CHAELO O=C(Nc1ccc2ccccc2c1)[C@H]1CCCn2cc[nH+]c21 ZINC000175918633 329171061 /nfs/dbraw/zinc/17/10/61/329171061.db2.gz SDOUEJVSQVYKHJ-INIZCTEOSA-N 1 2 291.354 3.552 10 0 CHAELO CSc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC000220920127 329204053 /nfs/dbraw/zinc/20/40/53/329204053.db2.gz CPPIZBJIXODJHK-LLVKDONJSA-N 1 2 262.378 3.556 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2F)o1 ZINC000230932825 329372628 /nfs/dbraw/zinc/37/26/28/329372628.db2.gz BQYZVDHKCJIHKX-SECBINFHSA-N 1 2 268.719 3.626 10 0 CHAELO CCc1cccc(C)c1NCc1[nH+]ccn1C(C)C ZINC000123951025 329565103 /nfs/dbraw/zinc/56/51/03/329565103.db2.gz BILOSOHFFWYPOW-UHFFFAOYSA-N 1 2 257.381 3.947 10 0 CHAELO C[C@H](CC[NH2+]CC(F)(F)C(F)F)c1ccccc1 ZINC000194880881 329689260 /nfs/dbraw/zinc/68/92/60/329689260.db2.gz CIZPNDPCPMPUDE-SNVBAGLBSA-N 1 2 263.278 3.670 10 0 CHAELO CCn1cc[nH+]c1CSc1cccc2cccnc21 ZINC000195517297 329693534 /nfs/dbraw/zinc/69/35/34/329693534.db2.gz RJIZMWGVHRSGBI-UHFFFAOYSA-N 1 2 269.373 3.744 10 0 CHAELO CC(C)c1cccc(N(C)C(=O)[C@H]2CCCn3cc[nH+]c32)c1 ZINC000080607005 330144918 /nfs/dbraw/zinc/14/49/18/330144918.db2.gz QCHQJSHFJVGCMJ-INIZCTEOSA-N 1 2 297.402 3.547 10 0 CHAELO CC[C@@H](c1ccccc1)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176844410 333048734 /nfs/dbraw/zinc/04/87/34/333048734.db2.gz YEPPKHHTOORFPM-MGPUTAFESA-N 1 2 290.432 3.864 10 0 CHAELO CCn1cc[nH+]c1CNc1ccc2c3c(cccc31)CC2 ZINC000177094132 333053414 /nfs/dbraw/zinc/05/34/14/333053414.db2.gz PKUXFXCRGONZIJ-UHFFFAOYSA-N 1 2 277.371 3.767 10 0 CHAELO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cncc(C)c2)cs1 ZINC000184353632 333127278 /nfs/dbraw/zinc/12/72/78/333127278.db2.gz UPPHAMAZBJMCII-VXGBXAGGSA-N 1 2 275.421 3.821 10 0 CHAELO Cc1ncc(C[N@@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000195372458 333251549 /nfs/dbraw/zinc/25/15/49/333251549.db2.gz YNAXMAYBRYDNJZ-LBPRGKRZSA-N 1 2 279.434 3.635 10 0 CHAELO Cc1ncc(C[N@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000195372458 333251551 /nfs/dbraw/zinc/25/15/51/333251551.db2.gz YNAXMAYBRYDNJZ-LBPRGKRZSA-N 1 2 279.434 3.635 10 0 CHAELO Cc1cc(C)c(NC(=O)c2ccc3cc[nH]c3c2)c(C)[nH+]1 ZINC000193785056 333257701 /nfs/dbraw/zinc/25/77/01/333257701.db2.gz OCGJUDZENRJOFB-UHFFFAOYSA-N 1 2 279.343 3.740 10 0 CHAELO Clc1csc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000194371061 333270090 /nfs/dbraw/zinc/27/00/90/333270090.db2.gz JMXRSJRIQYTYST-UHFFFAOYSA-N 1 2 281.812 3.504 10 0 CHAELO C[C@H](Nc1[nH+]c2ccccc2n1C)c1cccs1 ZINC000079044353 334146338 /nfs/dbraw/zinc/14/63/38/334146338.db2.gz ZSEPQQPTBDNGJL-JTQLQIEISA-N 1 2 257.362 3.808 10 0 CHAELO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248606469 334308299 /nfs/dbraw/zinc/30/82/99/334308299.db2.gz FWUIIHHFDNEISK-DOTOQJQBSA-N 1 2 299.370 3.639 10 0 CHAELO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000248606469 334308300 /nfs/dbraw/zinc/30/83/00/334308300.db2.gz FWUIIHHFDNEISK-DOTOQJQBSA-N 1 2 299.370 3.639 10 0 CHAELO Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)c(C)[nH+]1 ZINC000176774853 335330404 /nfs/dbraw/zinc/33/04/04/335330404.db2.gz FXJPVGHERNPWEA-AWEZNQCLSA-N 1 2 285.347 3.660 10 0 CHAELO CCCNc1cc(COCCCC(C)C)cc[nH+]1 ZINC000052755119 520138213 /nfs/dbraw/zinc/13/82/13/520138213.db2.gz CRYWYWIXMBGMEM-UHFFFAOYSA-N 1 2 250.386 3.856 10 0 CHAELO CC(C)c1ccc(Nc2cc[nH+]c(C(N)=S)c2)cc1 ZINC000061812029 519837859 /nfs/dbraw/zinc/83/78/59/519837859.db2.gz SWRPTUCZRABFGP-UHFFFAOYSA-N 1 2 271.389 3.583 10 0 CHAELO CC(C)c1nc(CSc2ccc(N)[nH+]c2)cs1 ZINC000049277048 519865114 /nfs/dbraw/zinc/86/51/14/519865114.db2.gz DNXXDDRMTBRXAQ-UHFFFAOYSA-N 1 2 265.407 3.536 10 0 CHAELO CCC[C@@H](O)[C@@H](CC)n1c2ccccc2[nH+]c1CC ZINC000062807852 520808224 /nfs/dbraw/zinc/80/82/24/520808224.db2.gz WAYOPQHIYZZDIU-UKRRQHHQSA-N 1 2 260.381 3.711 10 0 CHAELO CCCc1cc(NCC)nc(-c2ccccc2C)[nH+]1 ZINC000050850102 521379644 /nfs/dbraw/zinc/37/96/44/521379644.db2.gz RGOXOKDWVIURPU-UHFFFAOYSA-N 1 2 255.365 3.836 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C)c(C)s2)o1 ZINC000094965569 525737005 /nfs/dbraw/zinc/73/70/05/525737005.db2.gz JSSBCPBPKTVFEA-SNVBAGLBSA-N 1 2 250.367 3.512 10 0 CHAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2csc(C)n2)o1 ZINC000036960573 525935449 /nfs/dbraw/zinc/93/54/49/525935449.db2.gz MGIHWNHEGZINER-UWVGGRQHSA-N 1 2 250.367 3.765 10 0 CHAELO Cc1[nH+]c(-c2ccc(Cl)cc2)nc(N)c1C(C)C ZINC000061687315 526572306 /nfs/dbraw/zinc/57/23/06/526572306.db2.gz BLUVPSDSWGNNCE-UHFFFAOYSA-N 1 2 261.756 3.811 10 0 CHAELO CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353479 567895066 /nfs/dbraw/zinc/89/50/66/567895066.db2.gz UACOWAKHXXFRTL-KRWDZBQOSA-N 1 2 299.462 3.796 10 0 CHAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cs1 ZINC000189781196 1126934749 /nfs/dbraw/zinc/93/47/49/1126934749.db2.gz YQPURIDDZCSXFA-HNNXBMFYSA-N 1 2 276.380 3.928 10 0 CHAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cs1 ZINC000189781196 1126934751 /nfs/dbraw/zinc/93/47/51/1126934751.db2.gz YQPURIDDZCSXFA-HNNXBMFYSA-N 1 2 276.380 3.928 10 0 CHAELO Cc1cc(C)c(C(N)=S)c(Nc2ccc(Cl)cc2)[nH+]1 ZINC000104171499 185915958 /nfs/dbraw/zinc/91/59/58/185915958.db2.gz GYNZGNWCVLCJPP-UHFFFAOYSA-N 1 2 291.807 3.730 10 0 CHAELO CCCc1[nH+]c2ccccc2n1CC(=O)C(C)(C)C ZINC000005656678 170124558 /nfs/dbraw/zinc/12/45/58/170124558.db2.gz AHNZNLLVWNOYLF-UHFFFAOYSA-N 1 2 258.365 3.604 10 0 CHAELO OCCCc1[nH+]c2ccccc2n1CCCc1ccccc1 ZINC000006609875 170218929 /nfs/dbraw/zinc/21/89/29/170218929.db2.gz XCLGISCYALHMLN-UHFFFAOYSA-N 1 2 294.398 3.594 10 0 CHAELO CN(Cc1ccsc1)c1ccc2cc(N)ccc2[nH+]1 ZINC000035718655 172373395 /nfs/dbraw/zinc/37/33/95/172373395.db2.gz RTQMLWWLLYRLDB-UHFFFAOYSA-N 1 2 269.373 3.515 10 0 CHAELO CCOC(=O)[C@@H]([NH2+]C1CCCCCC1)c1cccc(C)c1 ZINC000037972711 173926461 /nfs/dbraw/zinc/92/64/61/173926461.db2.gz BJKCMDIYQVESNL-KRWDZBQOSA-N 1 2 289.419 3.912 10 0 CHAELO O=C(Cn1cc[nH+]c1)c1cc(Cl)c(Cl)cc1Cl ZINC000039139934 174164622 /nfs/dbraw/zinc/16/46/22/174164622.db2.gz PMTWYJYPVRRERV-UHFFFAOYSA-N 1 2 289.549 3.726 10 0 CHAELO CC(C)N(C(=O)Cn1c2ccccc2[nH+]c1C1CC1)C(C)C ZINC000040231696 174210740 /nfs/dbraw/zinc/21/07/40/174210740.db2.gz XDLQRUXRPQGGGN-UHFFFAOYSA-N 1 2 299.418 3.559 10 0 CHAELO Cc1cccc(Nc2[nH+]cnc(NCCC(C)C)c2N)c1C ZINC000040755206 174396430 /nfs/dbraw/zinc/39/64/30/174396430.db2.gz UVEWMYGQDJTEBU-UHFFFAOYSA-N 1 2 299.422 3.877 10 0 CHAELO Cc1cccc(Nc2nc[nH+]c(NCCC(C)C)c2N)c1C ZINC000040755206 174396432 /nfs/dbraw/zinc/39/64/32/174396432.db2.gz UVEWMYGQDJTEBU-UHFFFAOYSA-N 1 2 299.422 3.877 10 0 CHAELO Cc1ccc(Nc2[nH+]cnc(NCCC(C)C)c2N)cc1 ZINC000040782076 174404629 /nfs/dbraw/zinc/40/46/29/174404629.db2.gz HIEQZNJNMNKJBV-UHFFFAOYSA-N 1 2 285.395 3.569 10 0 CHAELO Cc1ccc(Nc2nc[nH+]c(NCCC(C)C)c2N)cc1 ZINC000040782076 174404631 /nfs/dbraw/zinc/40/46/31/174404631.db2.gz HIEQZNJNMNKJBV-UHFFFAOYSA-N 1 2 285.395 3.569 10 0 CHAELO Cc1cccc(C[C@H](C)Nc2nccc(C3CCCC3)n2)[nH+]1 ZINC000071750261 176259663 /nfs/dbraw/zinc/25/96/63/176259663.db2.gz NSVRCEUQVRPVHQ-AWEZNQCLSA-N 1 2 296.418 3.881 10 0 CHAELO C[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1cccs1 ZINC000036901002 260050121 /nfs/dbraw/zinc/05/01/21/260050121.db2.gz KBEGLODMKDFWPC-GFCCVEGCSA-N 1 2 299.399 3.573 10 0 CHAELO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000154319935 261090231 /nfs/dbraw/zinc/09/02/31/261090231.db2.gz JZEIGZLSBFFGFH-CYBMUJFWSA-N 1 2 299.418 3.996 10 0 CHAELO CC[C@@H]([NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)C(=O)OC ZINC000156905173 263329903 /nfs/dbraw/zinc/32/99/03/263329903.db2.gz IKRREEBKWGTEQV-IUODEOHRSA-N 1 2 277.408 3.586 10 0 CHAELO Cc1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc[nH+]1 ZINC000119373885 267326409 /nfs/dbraw/zinc/32/64/09/267326409.db2.gz VGCDANKUBDXPLA-SNVBAGLBSA-N 1 2 291.301 3.551 10 0 CHAELO Nc1cccc2c1CCC[N@@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000261562452 327020988 /nfs/dbraw/zinc/02/09/88/327020988.db2.gz AKGOOGXPNZLQGF-GFCCVEGCSA-N 1 2 280.362 3.847 10 0 CHAELO Nc1cccc2c1CCC[N@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000261562452 327020990 /nfs/dbraw/zinc/02/09/90/327020990.db2.gz AKGOOGXPNZLQGF-GFCCVEGCSA-N 1 2 280.362 3.847 10 0 CHAELO C[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1cccs1 ZINC000182545195 329242870 /nfs/dbraw/zinc/24/28/70/329242870.db2.gz VBKVHWJHYDHDHE-SECBINFHSA-N 1 2 291.401 3.710 10 0 CHAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccoc1 ZINC000186060606 329336911 /nfs/dbraw/zinc/33/69/11/329336911.db2.gz VQNGZPQWDSTOAH-CYBMUJFWSA-N 1 2 279.343 3.587 10 0 CHAELO CCn1cc[nH+]c1CSCc1cc(OC)ccc1Cl ZINC000190967713 329403671 /nfs/dbraw/zinc/40/36/71/329403671.db2.gz ZJXASBCLIIHRIV-UHFFFAOYSA-N 1 2 296.823 3.998 10 0 CHAELO CCn1cc[nH+]c1C[S@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000133717959 329655096 /nfs/dbraw/zinc/65/50/96/329655096.db2.gz NBGNAFFXIJMLGC-NSPYISDASA-N 1 2 296.823 3.566 10 0 CHAELO c1csc([C@@H]2CCCCN2Cc2cn3ccccc3[nH+]2)n1 ZINC000195440169 329692056 /nfs/dbraw/zinc/69/20/56/329692056.db2.gz DEYLCYHTQNQRCP-AWEZNQCLSA-N 1 2 298.415 3.518 10 0 CHAELO CC(C)n1cc[nH+]c1CSc1nc2ccccc2o1 ZINC000195516649 329693520 /nfs/dbraw/zinc/69/35/20/329693520.db2.gz FBPNGNRWKMWFHL-UHFFFAOYSA-N 1 2 273.361 3.898 10 0 CHAELO CC(C)n1cc[nH+]c1CN1c2ccccc2N(C)CC[C@H]1C ZINC000176900594 333050235 /nfs/dbraw/zinc/05/02/35/333050235.db2.gz JABHLWGFGFDXDC-OAHLLOKOSA-N 1 2 298.434 3.699 10 0 CHAELO CCCC[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000230488088 333318725 /nfs/dbraw/zinc/31/87/25/333318725.db2.gz VOHOCMZFDYBFDR-SMDDNHRTSA-N 1 2 283.799 3.722 10 0 CHAELO Clc1csc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000248738917 334315461 /nfs/dbraw/zinc/31/54/61/334315461.db2.gz PNYPGUCGXIAZKD-CHWSQXEVSA-N 1 2 271.813 3.545 10 0 CHAELO Clc1csc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000248738917 334315462 /nfs/dbraw/zinc/31/54/62/334315462.db2.gz PNYPGUCGXIAZKD-CHWSQXEVSA-N 1 2 271.813 3.545 10 0 CHAELO CCCNc1[nH+]cccc1CO[C@@H](C)CC(C)C ZINC000052754940 520197238 /nfs/dbraw/zinc/19/72/38/520197238.db2.gz DJJLMWDPEWEGIK-ZDUSSCGKSA-N 1 2 250.386 3.855 10 0 CHAELO CCC(CC)n1ccc(C[NH2+][C@H](C)c2ccc(C)o2)n1 ZINC000069992992 521639993 /nfs/dbraw/zinc/63/99/93/521639993.db2.gz LLXHHHJGVHCXAG-CYBMUJFWSA-N 1 2 275.396 3.996 10 0 CHAELO CNc1nc(-c2ccc(F)cc2)[nH+]c(C)c1C(C)C ZINC000061687397 522674428 /nfs/dbraw/zinc/67/44/28/522674428.db2.gz XAYVHWPVUOBBOY-UHFFFAOYSA-N 1 2 259.328 3.756 10 0 CHAELO Cc1[nH]ncc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000126156054 526556140 /nfs/dbraw/zinc/55/61/40/526556140.db2.gz QEJSRUHQBSUGLG-MRXNPFEDSA-N 1 2 269.392 3.521 10 0 CHAELO Cc1nc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cs1 ZINC000037074418 527034468 /nfs/dbraw/zinc/03/44/68/527034468.db2.gz RPOZHSBEWUGQRX-ZWNOBZJWSA-N 1 2 274.389 3.626 10 0 CHAELO C[C@@H]1CCc2[nH+]c(-c3ccc(Br)cc3)cn2C1 ZINC000258275162 567931012 /nfs/dbraw/zinc/93/10/12/567931012.db2.gz ILLCQYSKRRINRL-SNVBAGLBSA-N 1 2 291.192 3.895 10 0 CHAELO C[C@H]1CCc2[nH+]c(-c3ccc(Br)s3)cn2C1 ZINC000258140403 567931021 /nfs/dbraw/zinc/93/10/21/567931021.db2.gz DCSILTLXRMZPJQ-QMMMGPOBSA-N 1 2 297.221 3.956 10 0 CHAELO CC(C)(C)C1=[NH+]CCc2ccc(Br)cc21 ZINC000090764757 180037268 /nfs/dbraw/zinc/03/72/68/180037268.db2.gz MUHAYBPYVGJPMA-UHFFFAOYSA-N 1 2 266.182 3.840 10 0 CHAELO CCCn1c2ccccc2n2cc(C(C)(C)C)[nH+]c21 ZINC000005285346 170082702 /nfs/dbraw/zinc/08/27/02/170082702.db2.gz CTUQXEDNHJSUDQ-UHFFFAOYSA-N 1 2 255.365 3.997 10 0 CHAELO COc1ccc([NH2+]CC[C@@H](C)n2nnc3ccccc32)cc1 ZINC000005330390 170086168 /nfs/dbraw/zinc/08/61/68/170086168.db2.gz BWCBWAMVPLOSQY-CYBMUJFWSA-N 1 2 296.374 3.503 10 0 CHAELO Nc1ccc(Nc2ccccc2SC(F)F)c[nH+]1 ZINC000020585116 171258513 /nfs/dbraw/zinc/25/85/13/171258513.db2.gz YQAQWDVPNANTEF-UHFFFAOYSA-N 1 2 267.304 3.722 10 0 CHAELO CC[C@H]([NH2+][C@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000035185752 172039883 /nfs/dbraw/zinc/03/98/83/172039883.db2.gz YUCZZYCDOBFRSS-KBPBESRZSA-N 1 2 283.799 3.578 10 0 CHAELO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccco1 ZINC000035738797 172392394 /nfs/dbraw/zinc/39/23/94/172392394.db2.gz TWDKACNBCZRFAJ-VXGBXAGGSA-N 1 2 269.348 3.578 10 0 CHAELO Cc1cccc2oc([C@@H]3Cc4ccccc4C[NH2+]3)nc21 ZINC000038052795 174064079 /nfs/dbraw/zinc/06/40/79/174064079.db2.gz ZSNOUTFNWAQZFX-AWEZNQCLSA-N 1 2 264.328 3.523 10 0 CHAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)c1ccccc1 ZINC000040231742 174210633 /nfs/dbraw/zinc/21/06/33/174210633.db2.gz CJXKYNWCZQZPFF-UHFFFAOYSA-N 1 2 276.339 3.797 10 0 CHAELO CCCCCn1c2cc(C)c(C)cc2[nH+]c1CCCO ZINC000040310917 174230396 /nfs/dbraw/zinc/23/03/96/174230396.db2.gz WFPPBTRVZINCAX-UHFFFAOYSA-N 1 2 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ZINC000005330305 170086218 /nfs/dbraw/zinc/08/62/18/170086218.db2.gz BWCBWAMVPLOSQY-ZDUSSCGKSA-N 1 2 296.374 3.503 10 0 CHAELO C[C@H]1CCC[N@H+](CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000009996513 170393477 /nfs/dbraw/zinc/39/34/77/170393477.db2.gz KRSKMPBJXGEHTH-JTQLQIEISA-N 1 2 286.202 3.908 10 0 CHAELO C[C@H]1CCC[N@@H+](CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000009996513 170393478 /nfs/dbraw/zinc/39/34/78/170393478.db2.gz KRSKMPBJXGEHTH-JTQLQIEISA-N 1 2 286.202 3.908 10 0 CHAELO CCOC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C(C)(C)C)cc1 ZINC000037968202 173915230 /nfs/dbraw/zinc/91/52/30/173915230.db2.gz JSOOSAWVUCRUPA-MRXNPFEDSA-N 1 2 289.419 3.588 10 0 CHAELO Cc1ccc(C)c(Nc2[nH+]cnc(NC(C)(C)C)c2N)c1 ZINC000040680404 174374593 /nfs/dbraw/zinc/37/45/93/174374593.db2.gz RKHAQPOJMLNCFF-UHFFFAOYSA-N 1 2 285.395 3.630 10 0 CHAELO CCCNc1nc[nH+]c(Nc2cccc(Cl)c2C)c1N ZINC000040701487 174379113 /nfs/dbraw/zinc/37/91/13/174379113.db2.gz WUBHZNBNYBGEGQ-UHFFFAOYSA-N 1 2 291.786 3.586 10 0 CHAELO CCCNc1[nH+]cnc(Nc2cccc(Cl)c2C)c1N ZINC000040701487 174379114 /nfs/dbraw/zinc/37/91/14/174379114.db2.gz WUBHZNBNYBGEGQ-UHFFFAOYSA-N 1 2 291.786 3.586 10 0 CHAELO Cc1ccc(CNc2nc(N(C)C)[nH+]c3ccccc32)cc1 ZINC000072260655 176351846 /nfs/dbraw/zinc/35/18/46/176351846.db2.gz LMIPJMMOMQAVNM-UHFFFAOYSA-N 1 2 292.386 3.616 10 0 CHAELO Cc1nc(CSCc2[nH+]ccn2C(C)C)cs1 ZINC000175296517 261601792 /nfs/dbraw/zinc/60/17/92/261601792.db2.gz NLBPGOJPYRKCJN-UHFFFAOYSA-N 1 2 267.423 3.662 10 0 CHAELO Cc1cc(C)cc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000176838381 261671347 /nfs/dbraw/zinc/67/13/47/261671347.db2.gz AXMRKBJFGGMNRV-HXUWFJFHSA-N 1 2 290.432 3.530 10 0 CHAELO CC(C)n1ccnc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000170957704 329072611 /nfs/dbraw/zinc/07/26/11/329072611.db2.gz KTUCFOVJOXCGSD-UHFFFAOYSA-N 1 2 281.403 3.753 10 0 CHAELO CC(C)n1ccnc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000170957704 329072612 /nfs/dbraw/zinc/07/26/12/329072612.db2.gz KTUCFOVJOXCGSD-UHFFFAOYSA-N 1 2 281.403 3.753 10 0 CHAELO Cn1c(C[N@@H+]2CCC[C@H]2c2ccco2)nc2ccccc21 ZINC000172029514 329083270 /nfs/dbraw/zinc/08/32/70/329083270.db2.gz WCYRNSCVKALYPB-HNNXBMFYSA-N 1 2 281.359 3.503 10 0 CHAELO Cn1c(C[N@H+]2CCC[C@H]2c2ccco2)nc2ccccc21 ZINC000172029514 329083271 /nfs/dbraw/zinc/08/32/71/329083271.db2.gz WCYRNSCVKALYPB-HNNXBMFYSA-N 1 2 281.359 3.503 10 0 CHAELO Cc1cc(C)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)[nH+]1 ZINC000172044222 329083602 /nfs/dbraw/zinc/08/36/02/329083602.db2.gz WWENZHULWIWFQW-PXAZEXFGSA-N 1 2 296.370 3.510 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(Br)c2)o1 ZINC000220924638 329204106 /nfs/dbraw/zinc/20/41/06/329204106.db2.gz CLLALUCWRCPVIY-SNVBAGLBSA-N 1 2 295.180 3.596 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2OC(C)C)o1 ZINC000220916147 333170784 /nfs/dbraw/zinc/17/07/84/333170784.db2.gz LIYJWWANOMJVEM-ZDUSSCGKSA-N 1 2 274.364 3.621 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc3ccccc3c2)o1 ZINC000230642470 333319274 /nfs/dbraw/zinc/31/92/74/333319274.db2.gz RJIVGSFZAQDWHY-ZDUSSCGKSA-N 1 2 266.344 3.987 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C3CC3)cc2)o1 ZINC000235525198 333370417 /nfs/dbraw/zinc/37/04/17/333370417.db2.gz OJCCIIPBUDHKNL-LBPRGKRZSA-N 1 2 256.349 3.711 10 0 CHAELO Cc1ccc(N[C@@H]2CCCNc3ccccc32)c[nH+]1 ZINC000193099775 335574292 /nfs/dbraw/zinc/57/42/92/335574292.db2.gz LRXGSFNMWNIAEF-MRXNPFEDSA-N 1 2 253.349 3.749 10 0 CHAELO CCCNc1[nH+]cccc1CO[C@@H]1CCCC[C@@H]1C ZINC000052754787 520197125 /nfs/dbraw/zinc/19/71/25/520197125.db2.gz LNOHJNBVRXALKG-DZGCQCFKSA-N 1 2 262.397 3.999 10 0 CHAELO CCNc1ccc(COc2ccc(CC)cc2)c[nH+]1 ZINC000050830798 520304334 /nfs/dbraw/zinc/30/43/34/520304334.db2.gz RRSOSQMQIVXDBH-UHFFFAOYSA-N 1 2 256.349 3.655 10 0 CHAELO CCCc1noc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000130939482 521582874 /nfs/dbraw/zinc/58/28/74/521582874.db2.gz XACTUSKPWMLXCQ-CYBMUJFWSA-N 1 2 289.379 3.651 10 0 CHAELO CCCc1noc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000130939482 521582881 /nfs/dbraw/zinc/58/28/81/521582881.db2.gz XACTUSKPWMLXCQ-CYBMUJFWSA-N 1 2 289.379 3.651 10 0 CHAELO CNc1cc(COc2ccccc2C(C)C)cc[nH+]1 ZINC000052754609 522568356 /nfs/dbraw/zinc/56/83/56/522568356.db2.gz YPGFKJUJHNEWIG-UHFFFAOYSA-N 1 2 256.349 3.826 10 0 CHAELO CCc1cc(N)nc(Cc2ccc(Cl)cc2Cl)[nH+]1 ZINC000050846242 523789897 /nfs/dbraw/zinc/78/98/97/523789897.db2.gz ZWPSZQNTXQGFLV-UHFFFAOYSA-N 1 2 282.174 3.519 10 0 CHAELO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)no1 ZINC000044692475 524766465 /nfs/dbraw/zinc/76/64/65/524766465.db2.gz QRKGLFVTIVBJEA-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO C[C@@H](Nc1nc[nH+]c(N)c1Cl)c1ccc(Cl)s1 ZINC000235221031 525732692 /nfs/dbraw/zinc/73/26/92/525732692.db2.gz JNVIKTSRFZWOMW-RXMQYKEDSA-N 1 2 289.191 3.600 10 0 CHAELO C[C@@H](Nc1[nH+]cnc(N)c1Cl)c1ccc(Cl)s1 ZINC000235221031 525732700 /nfs/dbraw/zinc/73/27/00/525732700.db2.gz JNVIKTSRFZWOMW-RXMQYKEDSA-N 1 2 289.191 3.600 10 0 CHAELO Cc1cc(-c2nc(N)c(C(C)C)c(C)[nH+]2)ccc1F ZINC000061687302 526052373 /nfs/dbraw/zinc/05/23/73/526052373.db2.gz BHXKTVAPUOULCS-UHFFFAOYSA-N 1 2 259.328 3.605 10 0 CHAELO Clc1ccc(NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000049327631 526956717 /nfs/dbraw/zinc/95/67/17/526956717.db2.gz LLEFILQQMAXARL-UHFFFAOYSA-N 1 2 270.163 3.692 10 0 CHAELO CC(C)n1c[nH+]cc1-c1ccc(OC(F)F)c(F)c1 ZINC000725245674 567908307 /nfs/dbraw/zinc/90/83/07/567908307.db2.gz LBUUKBVYMBKYEQ-UHFFFAOYSA-N 1 2 270.254 3.872 10 0 CHAELO C[C@H]1CCc2[nH+]c(-c3cccc(Br)c3)cn2C1 ZINC000258591907 567931088 /nfs/dbraw/zinc/93/10/88/567931088.db2.gz VEOQZKYZANUZRT-JTQLQIEISA-N 1 2 291.192 3.895 10 0 CHAELO C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccco1 ZINC000020136179 171023632 /nfs/dbraw/zinc/02/36/32/171023632.db2.gz HMIVGHXRYXYUDY-JTQLQIEISA-N 1 2 258.346 3.740 10 0 CHAELO CC[C@@H]([NH2+][C@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000035185753 172040068 /nfs/dbraw/zinc/04/00/68/172040068.db2.gz YUCZZYCDOBFRSS-KGLIPLIRSA-N 1 2 283.799 3.578 10 0 CHAELO C[NH2+][C@H](c1cc(F)ccc1F)c1c(F)cccc1F ZINC000035468719 172218339 /nfs/dbraw/zinc/21/83/39/172218339.db2.gz TYXCODZHYPZZFV-CQSZACIVSA-N 1 2 269.241 3.552 10 0 CHAELO CC(C)c1nc([C@@H]([NH3+])c2cc(Cl)cc(Cl)c2)no1 ZINC000037425133 173199007 /nfs/dbraw/zinc/19/90/07/173199007.db2.gz DGJWEEHRVBSKIU-JTQLQIEISA-N 1 2 286.162 3.548 10 0 CHAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(C)cc1 ZINC000040227368 174208788 /nfs/dbraw/zinc/20/87/88/174208788.db2.gz CDWBVCONGXPMCF-UHFFFAOYSA-N 1 2 280.371 3.986 10 0 CHAELO CCc1ccc(Nc2[nH+]cnc(NC(C)(C)C)c2N)cc1 ZINC000040680377 174374705 /nfs/dbraw/zinc/37/47/05/174374705.db2.gz SEIJAMNRPUFURX-UHFFFAOYSA-N 1 2 285.395 3.575 10 0 CHAELO CCCNc1nc[nH+]c(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703540 174378804 /nfs/dbraw/zinc/37/88/04/174378804.db2.gz UABJXYIEIFQQKG-UHFFFAOYSA-N 1 2 291.786 3.586 10 0 CHAELO CCCNc1[nH+]cnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703540 174378805 /nfs/dbraw/zinc/37/88/05/174378805.db2.gz UABJXYIEIFQQKG-UHFFFAOYSA-N 1 2 291.786 3.586 10 0 CHAELO CC[C@@H](Nc1c[nH+]ccc1C)c1ccccc1OC ZINC000071413721 176159214 /nfs/dbraw/zinc/15/92/14/176159214.db2.gz TYOAPTJTCOVVFO-CQSZACIVSA-N 1 2 256.349 3.962 10 0 CHAELO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(C)[nH+]1 ZINC000176206817 261270529 /nfs/dbraw/zinc/27/05/29/261270529.db2.gz PZULMOOBEPPHJR-LSDHHAIUSA-N 1 2 272.392 3.853 10 0 CHAELO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc(Cl)c2)o1 ZINC000181418187 261897342 /nfs/dbraw/zinc/89/73/42/261897342.db2.gz KAQOYQIMZZQQRZ-JTQLQIEISA-N 1 2 279.771 3.697 10 0 CHAELO Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000115002594 267088479 /nfs/dbraw/zinc/08/84/79/267088479.db2.gz JQQVACFLYZEMAS-AWEZNQCLSA-N 1 2 298.386 3.957 10 0 CHAELO CC(C)c1nc(N2CCC[C@H]2c2ccco2)cc[nH+]1 ZINC000116263334 267135224 /nfs/dbraw/zinc/13/52/24/267135224.db2.gz VFNOCABTZPNNDU-LBPRGKRZSA-N 1 2 257.337 3.535 10 0 CHAELO CCc1noc([C@H](C)[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117893847 267225047 /nfs/dbraw/zinc/22/50/47/267225047.db2.gz LKJLFRGKYQCVGI-NSHDSACASA-N 1 2 289.404 3.544 10 0 CHAELO CCc1noc([C@H](C)[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117893847 267225050 /nfs/dbraw/zinc/22/50/50/267225050.db2.gz LKJLFRGKYQCVGI-NSHDSACASA-N 1 2 289.404 3.544 10 0 CHAELO CCn1cc[nH+]c1CSCCCOc1ccccc1 ZINC000175278446 329167234 /nfs/dbraw/zinc/16/72/34/329167234.db2.gz LHZDBTJVFSCXJI-UHFFFAOYSA-N 1 2 276.405 3.605 10 0 CHAELO CCn1cc[nH+]c1CSC/C=C\c1ccccc1 ZINC000255716058 327007087 /nfs/dbraw/zinc/00/70/87/327007087.db2.gz AMGZEECNOOXYNU-TWGQIWQCSA-N 1 2 258.390 3.850 10 0 CHAELO CC(C)c1noc(C[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000172194411 329082105 /nfs/dbraw/zinc/08/21/05/329082105.db2.gz WOHAQLJLDOZCEA-UHFFFAOYSA-N 1 2 289.404 3.544 10 0 CHAELO CC(C)c1noc(C[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000172194411 329082106 /nfs/dbraw/zinc/08/21/06/329082106.db2.gz WOHAQLJLDOZCEA-UHFFFAOYSA-N 1 2 289.404 3.544 10 0 CHAELO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1nnc(-c2ccccc2)o1 ZINC000172987984 329141859 /nfs/dbraw/zinc/14/18/59/329141859.db2.gz NDARXRVZBNSLGU-QWHCGFSZSA-N 1 2 294.358 3.543 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)sc2C)o1 ZINC000220945553 329204071 /nfs/dbraw/zinc/20/40/71/329204071.db2.gz IXUIWNKWGWVDEB-JTQLQIEISA-N 1 2 250.367 3.512 10 0 CHAELO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180303136 329219464 /nfs/dbraw/zinc/21/94/64/329219464.db2.gz KONMQTNQHXKCHI-AAEUAGOBSA-N 1 2 260.381 3.791 10 0 CHAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183954878 333123849 /nfs/dbraw/zinc/12/38/49/333123849.db2.gz PZLLJLLBQJTTLR-LLVKDONJSA-N 1 2 299.361 3.786 10 0 CHAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000183954878 333123851 /nfs/dbraw/zinc/12/38/51/333123851.db2.gz PZLLJLLBQJTTLR-LLVKDONJSA-N 1 2 299.361 3.786 10 0 CHAELO CCCNc1nccc(Nc2cccc3cc[nH+]cc32)n1 ZINC000157625455 333247382 /nfs/dbraw/zinc/24/73/82/333247382.db2.gz CEYPZEFLQMQHJJ-UHFFFAOYSA-N 1 2 279.347 3.590 10 0 CHAELO CC(C)=CC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195398825 333252032 /nfs/dbraw/zinc/25/20/32/333252032.db2.gz HWQHBYSNHXZYHM-CYBMUJFWSA-N 1 2 294.464 3.780 10 0 CHAELO CC(C)=CC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195398825 333252034 /nfs/dbraw/zinc/25/20/34/333252034.db2.gz HWQHBYSNHXZYHM-CYBMUJFWSA-N 1 2 294.464 3.780 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)o1 ZINC000231221224 333324404 /nfs/dbraw/zinc/32/44/04/333324404.db2.gz HLZIMPSQKWUYOV-SNVBAGLBSA-N 1 2 266.291 3.771 10 0 CHAELO Clc1cnccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000173758278 335140005 /nfs/dbraw/zinc/14/00/05/335140005.db2.gz OQPOEHUSLHCDQX-CYBMUJFWSA-N 1 2 262.740 3.665 10 0 CHAELO Clc1cnccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000173758278 335140006 /nfs/dbraw/zinc/14/00/06/335140006.db2.gz OQPOEHUSLHCDQX-CYBMUJFWSA-N 1 2 262.740 3.665 10 0 CHAELO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000163005079 334390528 /nfs/dbraw/zinc/39/05/28/334390528.db2.gz FWUIIHHFDNEISK-WBVHZDCISA-N 1 2 299.370 3.639 10 0 CHAELO COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000163005079 334390529 /nfs/dbraw/zinc/39/05/29/334390529.db2.gz FWUIIHHFDNEISK-WBVHZDCISA-N 1 2 299.370 3.639 10 0 CHAELO CCCCC[C@@H](/C=C/n1cc[nH+]c1)OC(=O)c1cccnc1 ZINC000005114640 520274072 /nfs/dbraw/zinc/27/40/72/520274072.db2.gz KDFWKXZFYSRQSX-KXKDPZRNSA-N 1 2 299.374 3.555 10 0 in-man CHAELO CC1(C)C[C@@H]([NH2+]Cc2cscn2)c2ccccc2O1 ZINC000126886439 520524303 /nfs/dbraw/zinc/52/43/03/520524303.db2.gz ZYNCLJDAHHZRDV-CYBMUJFWSA-N 1 2 274.389 3.535 10 0 CHAELO CCCc1ccccc1-n1c[nH+]c2cc(N)ccc21 ZINC000052854892 521430010 /nfs/dbraw/zinc/43/00/10/521430010.db2.gz DIFMTPSPDBKEKX-UHFFFAOYSA-N 1 2 251.333 3.560 10 0 CHAELO CNc1ccc(CSc2ccc3c(c2)CCC3)c[nH+]1 ZINC000050837827 522612834 /nfs/dbraw/zinc/61/28/34/522612834.db2.gz JGKVAZOGTKZZIY-UHFFFAOYSA-N 1 2 270.401 3.904 10 0 CHAELO CNc1nc(-c2ccc(F)c(Cl)c2)[nH+]c(C)c1C ZINC000062793292 522674524 /nfs/dbraw/zinc/67/45/24/522674524.db2.gz LMVIBCWGXINBJW-UHFFFAOYSA-N 1 2 265.719 3.595 10 0 CHAELO COc1ccc(Cl)c2c(N)cc(C(C)C)[nH+]c12 ZINC000050869648 524188642 /nfs/dbraw/zinc/18/86/42/524188642.db2.gz FUYLPOAZYNQQJF-UHFFFAOYSA-N 1 2 250.729 3.602 10 0 CHAELO COc1ccc(NC2=[NH+][C@@H](CC(C)C)CS2)c(C)c1 ZINC000061568532 524675739 /nfs/dbraw/zinc/67/57/39/524675739.db2.gz PIEOCKDBKRQLMO-LBPRGKRZSA-N 1 2 278.421 3.933 10 0 CHAELO Cc1ccc([N@H+](C)CCc2ccccc2N)c(C)c1 ZINC000052918712 524885777 /nfs/dbraw/zinc/88/57/77/524885777.db2.gz HJEPTLQCOMPHHZ-UHFFFAOYSA-N 1 2 254.377 3.565 10 0 CHAELO Cc1ccc([N@@H+](C)CCc2ccccc2N)c(C)c1 ZINC000052918712 524885784 /nfs/dbraw/zinc/88/57/84/524885784.db2.gz HJEPTLQCOMPHHZ-UHFFFAOYSA-N 1 2 254.377 3.565 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2csc(C)n2)o1 ZINC000036960571 525742649 /nfs/dbraw/zinc/74/26/49/525742649.db2.gz MGIHWNHEGZINER-VHSXEESVSA-N 1 2 250.367 3.765 10 0 CHAELO CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000057353486 567894817 /nfs/dbraw/zinc/89/48/17/567894817.db2.gz IPYSMMQHJQWOJY-KRWDZBQOSA-N 1 2 299.462 3.625 10 0 CHAELO C[Si](C)(C)CCSCc1cn2ccccc2[nH+]1 ZINC000725246516 567908584 /nfs/dbraw/zinc/90/85/84/567908584.db2.gz XKDKVUUJHICFFH-UHFFFAOYSA-N 1 2 264.470 3.906 10 0 CHAELO C[C@H]1CCn2cc(-c3ccc(Br)s3)[nH+]c2C1 ZINC000258628902 567930933 /nfs/dbraw/zinc/93/09/33/567930933.db2.gz WHIIBICVZKGRSQ-QMMMGPOBSA-N 1 2 297.221 3.956 10 0 CHAELO Fc1ccc(-c2n[nH]cc2-c2ccc3[nH+]ccn3c2)cc1 ZINC000089201387 179752319 /nfs/dbraw/zinc/75/23/19/179752319.db2.gz CMQSNLFXLAOARC-UHFFFAOYSA-N 1 2 278.290 3.531 10 0 CHAELO C[C@@H]1CCCC[N@@H+]1CC(=O)c1ccccc1Br ZINC000006052937 170172746 /nfs/dbraw/zinc/17/27/46/170172746.db2.gz YSNOELBFGHKBDM-LLVKDONJSA-N 1 2 296.208 3.506 10 0 CHAELO C[C@@H]1CCCC[N@H+]1CC(=O)c1ccccc1Br ZINC000006052937 170172748 /nfs/dbraw/zinc/17/27/48/170172748.db2.gz YSNOELBFGHKBDM-LLVKDONJSA-N 1 2 296.208 3.506 10 0 CHAELO CCOc1ccc([NH2+][C@H](C)CC(C)(C)OC)cc1 ZINC000020524213 171237415 /nfs/dbraw/zinc/23/74/15/171237415.db2.gz SCFKHPRHROVXQQ-GFCCVEGCSA-N 1 2 251.370 3.701 10 0 CHAELO Cc1cc2[nH+]cn(-c3ccc([C@@H](C)O)cc3F)c2cc1C ZINC000035631822 172313838 /nfs/dbraw/zinc/31/38/38/172313838.db2.gz RKPXURCXRJHVRM-GFCCVEGCSA-N 1 2 284.334 3.835 10 0 CHAELO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccco2)c(C)s1 ZINC000035738568 172391374 /nfs/dbraw/zinc/39/13/74/172391374.db2.gz BWCDTVLSVMMLFX-RKDXNWHRSA-N 1 2 250.367 3.765 10 0 CHAELO COCCOc1cc(C)ccc1[NH2+][C@H](C)C1(C)CC1 ZINC000037779076 173709899 /nfs/dbraw/zinc/70/98/99/173709899.db2.gz VQZPXUXRJATCSG-CYBMUJFWSA-N 1 2 263.381 3.621 10 0 CHAELO COC(=O)[C@@](C)([NH2+]C1CCCC1)c1ccc(C(C)C)cc1 ZINC000037970087 173919180 /nfs/dbraw/zinc/91/91/80/173919180.db2.gz BQLNUYWKCLWLAM-SFHVURJKSA-N 1 2 289.419 3.730 10 0 CHAELO COC(=O)[C@@H]([NH2+]C1CCCCCC1)c1ccc(C)cc1C ZINC000037972614 173925279 /nfs/dbraw/zinc/92/52/79/173925279.db2.gz QAQYYNJVGYANIL-KRWDZBQOSA-N 1 2 289.419 3.830 10 0 CHAELO CCn1c(C[NH2+][C@@H](C)c2ccco2)nc2ccccc21 ZINC000038046769 174055900 /nfs/dbraw/zinc/05/59/00/174055900.db2.gz QHUGVXABCPKQQF-LBPRGKRZSA-N 1 2 269.348 3.500 10 0 CHAELO CCOCCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000040389482 174252440 /nfs/dbraw/zinc/25/24/40/174252440.db2.gz GWLYGLPDJSCTKO-UHFFFAOYSA-N 1 2 260.381 3.760 10 0 CHAELO COCCCn1c2cc(Cl)ccc2[nH+]c1C(C)C ZINC000040402760 174253802 /nfs/dbraw/zinc/25/38/02/174253802.db2.gz AHSSOWOXYORPET-UHFFFAOYSA-N 1 2 266.772 3.850 10 0 CHAELO COc1ccc(C)cc1[C@H](C)Nc1c[nH+]ccc1C ZINC000071413369 176158422 /nfs/dbraw/zinc/15/84/22/176158422.db2.gz HRJZYFDFZSBUGW-ZDUSSCGKSA-N 1 2 256.349 3.880 10 0 CHAELO CCn1cc[nH+]c1CNc1ccc(C(F)(F)F)cc1 ZINC000051920782 260975673 /nfs/dbraw/zinc/97/56/73/260975673.db2.gz UBXYVYWHHUVRHN-UHFFFAOYSA-N 1 2 269.270 3.534 10 0 CHAELO CCC1(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000177486605 261358048 /nfs/dbraw/zinc/35/80/48/261358048.db2.gz OJOJIQIYQZOYDF-AWEZNQCLSA-N 1 2 297.402 3.630 10 0 CHAELO Cc1cnc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000181408460 261430279 /nfs/dbraw/zinc/43/02/79/261430279.db2.gz GOOIAGDWCPUFNN-CQSZACIVSA-N 1 2 288.391 3.869 10 0 CHAELO c1coc([C@@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000116287569 267136910 /nfs/dbraw/zinc/13/69/10/267136910.db2.gz PSIOZONGRQEXOK-KRWDZBQOSA-N 1 2 293.370 3.802 10 0 CHAELO c1coc([C@@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000116287569 267136912 /nfs/dbraw/zinc/13/69/12/267136912.db2.gz PSIOZONGRQEXOK-KRWDZBQOSA-N 1 2 293.370 3.802 10 0 CHAELO CC(C)CCc1nc(C[N@@H+]2CCS[C@@H](C)C2)cs1 ZINC000170901297 329071846 /nfs/dbraw/zinc/07/18/46/329071846.db2.gz LAYUGJNOKHQPFM-LBPRGKRZSA-N 1 2 284.494 3.669 10 0 CHAELO CC(C)CCc1nc(C[N@H+]2CCS[C@@H](C)C2)cs1 ZINC000170901297 329071847 /nfs/dbraw/zinc/07/18/47/329071847.db2.gz LAYUGJNOKHQPFM-LBPRGKRZSA-N 1 2 284.494 3.669 10 0 CHAELO COc1ccc([C@@H](C)Nc2ccc[nH+]c2C)cc1OC ZINC000091495889 327102787 /nfs/dbraw/zinc/10/27/87/327102787.db2.gz QJVCNBVURVSCLJ-LLVKDONJSA-N 1 2 272.348 3.580 10 0 CHAELO C[C@@H]([NH2+]Cc1nc(-c2cccs2)no1)c1cccs1 ZINC000171111495 329074605 /nfs/dbraw/zinc/07/46/05/329074605.db2.gz SBGMYKYYCDNQMQ-SECBINFHSA-N 1 2 291.401 3.710 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(F)ccc2Cl)o1 ZINC000218974441 329138167 /nfs/dbraw/zinc/13/81/67/329138167.db2.gz QAFZARKPNMNJNJ-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO Cc1cc(N[C@@H](C)COCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000172781452 329138655 /nfs/dbraw/zinc/13/86/55/329138655.db2.gz WXAGBAGQTUIORP-AWEZNQCLSA-N 1 2 297.402 3.680 10 0 CHAELO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1nnc(-c2ccccc2)o1 ZINC000172987974 329141757 /nfs/dbraw/zinc/14/17/57/329141757.db2.gz NDARXRVZBNSLGU-STQMWFEESA-N 1 2 294.358 3.543 10 0 CHAELO CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000175238681 329166889 /nfs/dbraw/zinc/16/68/89/329166889.db2.gz YTRATNFJZMDEAF-WCQYABFASA-N 1 2 292.404 3.781 10 0 CHAELO CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000175238681 329166891 /nfs/dbraw/zinc/16/68/91/329166891.db2.gz YTRATNFJZMDEAF-WCQYABFASA-N 1 2 292.404 3.781 10 0 CHAELO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180303171 329219401 /nfs/dbraw/zinc/21/94/01/329219401.db2.gz KONMQTNQHXKCHI-YPMHNXCESA-N 1 2 260.381 3.791 10 0 CHAELO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1c(F)cccc1F ZINC000188953393 329376069 /nfs/dbraw/zinc/37/60/69/329376069.db2.gz RYRLAEZBVYRNPC-INIZCTEOSA-N 1 2 289.325 3.887 10 0 CHAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000074144958 329863499 /nfs/dbraw/zinc/86/34/99/329863499.db2.gz AHKGYNQTJDGYAP-LBPRGKRZSA-N 1 2 285.391 3.921 10 0 CHAELO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cncc(C)c2)cs1 ZINC000184353614 333127397 /nfs/dbraw/zinc/12/73/97/333127397.db2.gz UPPHAMAZBJMCII-RYUDHWBXSA-N 1 2 275.421 3.821 10 0 CHAELO CCn1cc[nH+]c1CSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000187131877 333168271 /nfs/dbraw/zinc/16/82/71/333168271.db2.gz XDUIERDHBGMMNC-UHFFFAOYSA-N 1 2 298.415 3.894 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)o1 ZINC000220898407 333170177 /nfs/dbraw/zinc/17/01/77/333170177.db2.gz IOIAFYDAXODRDF-SNVBAGLBSA-N 1 2 284.281 3.853 10 0 CHAELO CC(C)n1cc[nH+]c1CN1CCC=Cc2ccccc21 ZINC000191289363 333217661 /nfs/dbraw/zinc/21/76/61/333217661.db2.gz DJXRYWAWQXBITN-UHFFFAOYSA-N 1 2 267.376 3.888 10 0 CHAELO Cc1ccc(C[S@](=O)Cc2[nH+]ccn2C(C)C)cc1C ZINC000129686815 333788041 /nfs/dbraw/zinc/78/80/41/333788041.db2.gz DYYAHTDBKMBECY-HXUWFJFHSA-N 1 2 290.432 3.530 10 0 CHAELO C[C@@H](Cc1cccc(F)c1)Nc1cc[nH+]c(C2CC2)n1 ZINC000301289621 534242625 /nfs/dbraw/zinc/24/26/25/534242625.db2.gz OGPMYLKMJZFKLQ-NSHDSACASA-N 1 2 271.339 3.536 10 0 CHAELO CC(C)Oc1ccc([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085631158 519781263 /nfs/dbraw/zinc/78/12/63/519781263.db2.gz GGWZCILIQWOHEC-XHSDSOJGSA-N 1 2 275.392 3.699 10 0 CHAELO CCCC[N@H+](Cc1nnc(C)o1)Cc1ccccc1Cl ZINC000102656672 520548928 /nfs/dbraw/zinc/54/89/28/520548928.db2.gz CMQNSBLZXGJJBU-UHFFFAOYSA-N 1 2 293.798 3.834 10 0 CHAELO CCCC[N@@H+](Cc1nnc(C)o1)Cc1ccccc1Cl ZINC000102656672 520548935 /nfs/dbraw/zinc/54/89/35/520548935.db2.gz CMQNSBLZXGJJBU-UHFFFAOYSA-N 1 2 293.798 3.834 10 0 CHAELO CC[N@@H+](c1ccc(Cl)cc1C(N)=S)C1CCCC1 ZINC000052858291 521489001 /nfs/dbraw/zinc/48/90/01/521489001.db2.gz NPNXUIKGXFDBEF-UHFFFAOYSA-N 1 2 282.840 3.743 10 0 CHAELO CC[N@H+](c1ccc(Cl)cc1C(N)=S)C1CCCC1 ZINC000052858291 521489010 /nfs/dbraw/zinc/48/90/10/521489010.db2.gz NPNXUIKGXFDBEF-UHFFFAOYSA-N 1 2 282.840 3.743 10 0 CHAELO CNc1c2c(F)ccc(F)c2[nH+]c(C)c1C(C)C ZINC000061687738 522546954 /nfs/dbraw/zinc/54/69/54/522546954.db2.gz QRQRVNKSHDUTNN-UHFFFAOYSA-N 1 2 250.292 3.987 10 0 CHAELO CNc1cc(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000050864463 522565843 /nfs/dbraw/zinc/56/58/43/522565843.db2.gz PUDAYWXLPDMAEY-UHFFFAOYSA-N 1 2 267.254 3.513 10 0 CHAELO CNc1cc(COc2ccc(Cl)c(C)c2)cc[nH+]1 ZINC000052734019 522567343 /nfs/dbraw/zinc/56/73/43/522567343.db2.gz OTQYOYIIUGJGSP-UHFFFAOYSA-N 1 2 262.740 3.664 10 0 CHAELO CNc1ccc(COc2ccc(Cl)c(C)c2)c[nH+]1 ZINC000050830154 522612468 /nfs/dbraw/zinc/61/24/68/522612468.db2.gz OCPYGUYJEJPYOT-UHFFFAOYSA-N 1 2 262.740 3.664 10 0 CHAELO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(CC)cc2)n1 ZINC000119805862 522915795 /nfs/dbraw/zinc/91/57/95/522915795.db2.gz JCIYGDNKVBIBDM-RYUDHWBXSA-N 1 2 273.380 3.606 10 0 CHAELO C[C@H]1CCC[C@@H](SCc2[nH]c3ccc(N)cc3[nH+]2)C1 ZINC000054689622 524154301 /nfs/dbraw/zinc/15/43/01/524154301.db2.gz QZSQQBPWYSWIFU-CMPLNLGQSA-N 1 2 275.421 3.957 10 0 CHAELO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127648732 524445046 /nfs/dbraw/zinc/44/50/46/524445046.db2.gz FKFRBNOPBUGXNN-CYBMUJFWSA-N 1 2 262.378 3.772 10 0 CHAELO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127648732 524445059 /nfs/dbraw/zinc/44/50/59/524445059.db2.gz FKFRBNOPBUGXNN-CYBMUJFWSA-N 1 2 262.378 3.772 10 0 CHAELO Cc1nc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cs1 ZINC000037074419 527066178 /nfs/dbraw/zinc/06/61/78/527066178.db2.gz RPOZHSBEWUGQRX-GXFFZTMASA-N 1 2 274.389 3.626 10 0 CHAELO [NH3+]c1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 ZINC000019875200 567879798 /nfs/dbraw/zinc/87/97/98/567879798.db2.gz GCEZBESOBSHFHY-UHFFFAOYSA-N 1 2 272.779 3.875 10 0 CHAELO CC[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1cccs1 ZINC000368606807 1118058027 /nfs/dbraw/zinc/05/80/27/1118058027.db2.gz FZIWBHUZSMQUDU-VXGBXAGGSA-N 1 2 261.394 3.590 10 0 CHAELO FC(F)(F)c1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000091368560 180143045 /nfs/dbraw/zinc/14/30/45/180143045.db2.gz NYEBGBPLHYNMJI-UHFFFAOYSA-N 1 2 292.304 3.659 10 0 CHAELO FC(F)(F)c1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC000091368560 180143047 /nfs/dbraw/zinc/14/30/47/180143047.db2.gz NYEBGBPLHYNMJI-UHFFFAOYSA-N 1 2 292.304 3.659 10 0 CHAELO O=C(CNc1cc[nH+]cc1)c1ccc(Cl)cc1Cl ZINC000008699363 170346462 /nfs/dbraw/zinc/34/64/62/170346462.db2.gz VBVOSIGQBGUBCC-UHFFFAOYSA-N 1 2 281.142 3.683 10 0 CHAELO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1ccccn1 ZINC000020592857 171262404 /nfs/dbraw/zinc/26/24/04/171262404.db2.gz HKNHBVBMCHFSQE-CQSZACIVSA-N 1 2 258.708 3.529 10 0 CHAELO C[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000033637222 171816279 /nfs/dbraw/zinc/81/62/79/171816279.db2.gz SFMBWOWMCGHHQM-QMMMGPOBSA-N 1 2 269.131 3.634 10 0 CHAELO COC(=O)[C@@H]([NH2+][C@@H](CC(C)C)c1ccccc1)C(C)C ZINC000035185740 172040123 /nfs/dbraw/zinc/04/01/23/172040123.db2.gz WBZTZRRWXUCDDM-HOTGVXAUSA-N 1 2 277.408 3.561 10 0 CHAELO Cc1[nH+]c2ccccc2n1CC(=O)c1ccc(F)cc1F ZINC000035230330 172071048 /nfs/dbraw/zinc/07/10/48/172071048.db2.gz AWZNNIHIKXCGBU-UHFFFAOYSA-N 1 2 286.281 3.506 10 0 CHAELO Cc1nc(C[NH2+][C@@H](C)c2cc(F)ccc2F)cs1 ZINC000035256259 172085960 /nfs/dbraw/zinc/08/59/60/172085960.db2.gz SWFOTZUPEALXRB-QMMMGPOBSA-N 1 2 268.332 3.581 10 0 CHAELO Nc1ccc(Sc2ccc3ccccc3c2)c[nH+]1 ZINC000035676433 172347273 /nfs/dbraw/zinc/34/72/73/172347273.db2.gz ZFSFQVHPWBDGAD-UHFFFAOYSA-N 1 2 252.342 3.968 10 0 CHAELO CC(C)CC[C@H](C)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000037040448 172910492 /nfs/dbraw/zinc/91/04/92/172910492.db2.gz CYFAVMQNDKJRAD-ZDUSSCGKSA-N 1 2 258.369 3.504 10 0 CHAELO Nc1ccc(SCCSc2ccc(F)cc2)c[nH+]1 ZINC000037192095 173020834 /nfs/dbraw/zinc/02/08/34/173020834.db2.gz ONBKYJHECISBJE-UHFFFAOYSA-N 1 2 280.393 3.687 10 0 CHAELO CCOC(=O)[C@@](C)([NH2+][C@@H](C)CC)c1ccc(Cl)cc1 ZINC000038067697 174078974 /nfs/dbraw/zinc/07/89/74/174078974.db2.gz LKUVTNDYSTUPOD-NHYWBVRUSA-N 1 2 283.799 3.506 10 0 CHAELO CCc1[nH+]c2ccccc2n1CCOc1cccc(OC)c1 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ZINC000220933275 329204087 /nfs/dbraw/zinc/20/40/87/329204087.db2.gz ATCOEUALEBSAOV-SECBINFHSA-N 1 2 268.719 3.626 10 0 CHAELO COc1ccc2c(c1)CCC[C@@H]2Nc1ccc[nH+]c1C ZINC000091495621 327102858 /nfs/dbraw/zinc/10/28/58/327102858.db2.gz OSQNZKVJPPDFBG-KRWDZBQOSA-N 1 2 268.360 3.888 10 0 CHAELO Cc1cc(C)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)[nH+]1 ZINC000172044232 329083720 /nfs/dbraw/zinc/08/37/20/329083720.db2.gz WWENZHULWIWFQW-YVEFUNNKSA-N 1 2 296.370 3.510 10 0 CHAELO CCCC(CCC)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000177109210 329180941 /nfs/dbraw/zinc/18/09/41/329180941.db2.gz OGBPPPYUJCSCOU-SFHVURJKSA-N 1 2 270.442 3.682 10 0 CHAELO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1nccs1 ZINC000179422967 329208101 /nfs/dbraw/zinc/20/81/01/329208101.db2.gz WGSINSYBUDGCSD-XJKSGUPXSA-N 1 2 295.411 3.978 10 0 CHAELO CC[C@H](Nc1cccc(-c2cnco2)c1)c1[nH+]ccn1C ZINC000182833424 329244692 /nfs/dbraw/zinc/24/46/92/329244692.db2.gz UPLBLNAERBIGQU-AWEZNQCLSA-N 1 2 282.347 3.638 10 0 CHAELO 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CCNc1ccc(CSc2ccccc2O)c[nH+]1 ZINC000050839682 520303634 /nfs/dbraw/zinc/30/36/34/520303634.db2.gz PONKDELFKWCTQO-UHFFFAOYSA-N 1 2 260.362 3.511 10 0 CHAELO CCCNc1cc(CC)[nH+]c(-c2ccccc2C)n1 ZINC000050851344 520135586 /nfs/dbraw/zinc/13/55/86/520135586.db2.gz MLBUPKQROCHBNL-UHFFFAOYSA-N 1 2 255.365 3.836 10 0 CHAELO CCNc1c2ccc(F)c(F)c2[nH+]c2c1CCCC2 ZINC000050870960 520256023 /nfs/dbraw/zinc/25/60/23/520256023.db2.gz FTYPJNWKTBFQJQ-UHFFFAOYSA-N 1 2 262.303 3.824 10 0 CHAELO CCCc1noc(C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000130939697 521582547 /nfs/dbraw/zinc/58/25/47/521582547.db2.gz XACTUSKPWMLXCQ-ZDUSSCGKSA-N 1 2 289.379 3.651 10 0 CHAELO CCCc1noc(C[N@H+]2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000130939697 521582554 /nfs/dbraw/zinc/58/25/54/521582554.db2.gz XACTUSKPWMLXCQ-ZDUSSCGKSA-N 1 2 289.379 3.651 10 0 CHAELO CNc1cc(CSCc2ccccc2C)cc[nH+]1 ZINC000054964876 522567882 /nfs/dbraw/zinc/56/78/82/522567882.db2.gz LSEVURHFHUZLMC-UHFFFAOYSA-N 1 2 258.390 3.865 10 0 CHAELO CCc1ccc(-c2nc(N)cc(C(C)(C)C)[nH+]2)cc1 ZINC000050846031 523861245 /nfs/dbraw/zinc/86/12/45/523861245.db2.gz GKJSYZFQRFVUIF-UHFFFAOYSA-N 1 2 255.365 3.586 10 0 CHAELO Cc1cc(N[C@@H](C)c2ccc(Cl)s2)nc[nH+]1 ZINC000042590584 525292163 /nfs/dbraw/zinc/29/21/63/525292163.db2.gz QLYKKHAGXDKXTJ-QMMMGPOBSA-N 1 2 253.758 3.673 10 0 CHAELO CCC1(C)CC[NH+](c2ccc(N)c(OC(F)F)c2)CC1 ZINC000725265320 567220226 /nfs/dbraw/zinc/22/02/26/567220226.db2.gz ZVQYYEBGCQBZSZ-UHFFFAOYSA-N 1 2 284.350 3.887 10 0 CHAELO Brc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000026506684 570243779 /nfs/dbraw/zinc/24/37/79/570243779.db2.gz BAMTWEUJGAUDDU-UHFFFAOYSA-N 1 2 277.165 3.649 10 0 CHAELO CCOc1ccccc1-c1c[nH+]cn1CC(C)(C)C ZINC000005114905 170067062 /nfs/dbraw/zinc/06/70/62/170067062.db2.gz UQJSQUPAWUJAJH-UHFFFAOYSA-N 1 2 258.365 3.995 10 0 CHAELO C[NH+](C)c1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000006314123 170190767 /nfs/dbraw/zinc/19/07/67/170190767.db2.gz YEZXRQDJCAZWFU-UHFFFAOYSA-N 1 2 265.360 3.846 10 0 CHAELO Nc1ccc(SCC23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000037192189 173020842 /nfs/dbraw/zinc/02/08/42/173020842.db2.gz LXTYODMLZJOAQS-UHFFFAOYSA-N 1 2 274.433 3.972 10 0 CHAELO Nc1ccc(SCc2ccccc2Cl)c[nH+]1 ZINC000037192657 173022174 /nfs/dbraw/zinc/02/21/74/173022174.db2.gz LAXBQQMJQILTHD-UHFFFAOYSA-N 1 2 250.754 3.610 10 0 CHAELO CCC[C@H](C)C[NH2+]c1ccc(C)cc1OCCOC ZINC000037779085 173709753 /nfs/dbraw/zinc/70/97/53/173709753.db2.gz WDHWXUURLOCQQA-AWEZNQCLSA-N 1 2 265.397 3.868 10 0 CHAELO CCCC[C@H]([NH2+]Cc1nc(C)no1)c1ccc(F)cc1 ZINC000038034300 174032928 /nfs/dbraw/zinc/03/29/28/174032928.db2.gz NQAKDQUNBWADPJ-AWEZNQCLSA-N 1 2 277.343 3.538 10 0 CHAELO CCOC(=O)[C@](C)([NH2+][C@H](C)CC)c1cccc(Cl)c1 ZINC000038067736 174079872 /nfs/dbraw/zinc/07/98/72/174079872.db2.gz XGUMBNNNKXBJOC-IAQYHMDHSA-N 1 2 283.799 3.506 10 0 CHAELO Cc1cc2[nH+]c(CCCO)n(Cc3ccccc3)c2cc1C ZINC000040310943 174230236 /nfs/dbraw/zinc/23/02/36/174230236.db2.gz WTONXNJFEPYEPX-UHFFFAOYSA-N 1 2 294.398 3.626 10 0 CHAELO CCCNc1nc[nH+]c(Nc2cc(Cl)ccc2C)c1N ZINC000040704775 174379072 /nfs/dbraw/zinc/37/90/72/174379072.db2.gz KDGIXJNVOAEETH-UHFFFAOYSA-N 1 2 291.786 3.586 10 0 CHAELO CCCNc1[nH+]cnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704775 174379073 /nfs/dbraw/zinc/37/90/73/174379073.db2.gz KDGIXJNVOAEETH-UHFFFAOYSA-N 1 2 291.786 3.586 10 0 CHAELO CCN(CC)c1nc[nH+]c(Nc2ccc(C(C)C)cc2)c1N ZINC000040705988 174379330 /nfs/dbraw/zinc/37/93/30/174379330.db2.gz XOIFYDOZIPMZMF-UHFFFAOYSA-N 1 2 299.422 3.772 10 0 CHAELO Cc1ccc(Nc2[nH+]cnc(NC3CCCCC3)c2N)cc1 ZINC000040708583 174380245 /nfs/dbraw/zinc/38/02/45/174380245.db2.gz LOJRJRASPKJVDD-UHFFFAOYSA-N 1 2 297.406 3.855 10 0 CHAELO CCCNc1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040707719 174380251 /nfs/dbraw/zinc/38/02/51/174380251.db2.gz GQDRQZOKYCFNRZ-UHFFFAOYSA-N 1 2 293.374 3.778 10 0 CHAELO CCCNc1nc[nH+]c(Nc2cccc3ccccc32)c1N ZINC000040707719 174380252 /nfs/dbraw/zinc/38/02/52/174380252.db2.gz GQDRQZOKYCFNRZ-UHFFFAOYSA-N 1 2 293.374 3.778 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C(C)C)cc2)o1 ZINC000220920202 260141136 /nfs/dbraw/zinc/14/11/36/260141136.db2.gz HWFSDIRAJVITOS-CYBMUJFWSA-N 1 2 258.365 3.957 10 0 CHAELO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000154320043 261090212 /nfs/dbraw/zinc/09/02/12/261090212.db2.gz JZEIGZLSBFFGFH-ZDUSSCGKSA-N 1 2 299.418 3.996 10 0 CHAELO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)o1 ZINC000154407929 261091232 /nfs/dbraw/zinc/09/12/32/261091232.db2.gz DLSGYMOFCSWUNQ-NSHDSACASA-N 1 2 273.380 3.526 10 0 CHAELO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c(C)[nH+]1 ZINC000176206791 261270532 /nfs/dbraw/zinc/27/05/32/261270532.db2.gz PZULMOOBEPPHJR-HUUCEWRRSA-N 1 2 272.392 3.853 10 0 CHAELO CCC(CC)(CC)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000190559055 264397694 /nfs/dbraw/zinc/39/76/94/264397694.db2.gz ACVGIVQBBWNTSP-SFHVURJKSA-N 1 2 270.442 3.682 10 0 CHAELO COCCCCCSCc1[nH+]ccn1C(C)C ZINC000175299013 329167487 /nfs/dbraw/zinc/16/74/87/329167487.db2.gz PSRPQYJGZQDWDP-UHFFFAOYSA-N 1 2 256.415 3.514 10 0 CHAELO COc1ccc([C@H](C)Nc2ccc[nH+]c2C)cc1F ZINC000091495279 327102639 /nfs/dbraw/zinc/10/26/39/327102639.db2.gz URWKISASPLSBCH-JTQLQIEISA-N 1 2 260.312 3.711 10 0 CHAELO Cc1cc(C)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(C)[nH+]1 ZINC000172044229 329083627 /nfs/dbraw/zinc/08/36/27/329083627.db2.gz WWENZHULWIWFQW-SJCJKPOMSA-N 1 2 296.370 3.510 10 0 CHAELO CCC[C@H](C)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914187 329151065 /nfs/dbraw/zinc/15/10/65/329151065.db2.gz DXPLNSKSYDPWDY-LSDHHAIUSA-N 1 2 299.418 3.876 10 0 CHAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2ncc(C)o2)o1 ZINC000173796697 329152408 /nfs/dbraw/zinc/15/24/08/329152408.db2.gz PELZTYKQGSBLQM-CQSZACIVSA-N 1 2 274.364 3.866 10 0 CHAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2ncc(C)o2)o1 ZINC000173796697 329152409 /nfs/dbraw/zinc/15/24/09/329152409.db2.gz PELZTYKQGSBLQM-CQSZACIVSA-N 1 2 274.364 3.866 10 0 CHAELO Cc1cc(C)cc(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106370928 330337288 /nfs/dbraw/zinc/33/72/88/330337288.db2.gz CAUCIVIFZORPTE-UHFFFAOYSA-N 1 2 297.446 3.719 10 0 CHAELO Cc1cc(C)cc(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106370928 330337289 /nfs/dbraw/zinc/33/72/89/330337289.db2.gz CAUCIVIFZORPTE-UHFFFAOYSA-N 1 2 297.446 3.719 10 0 CHAELO Cc1cc(C)cc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106370928 330337290 /nfs/dbraw/zinc/33/72/90/330337290.db2.gz CAUCIVIFZORPTE-UHFFFAOYSA-N 1 2 297.446 3.719 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)o1 ZINC000220884655 333170072 /nfs/dbraw/zinc/17/00/72/333170072.db2.gz MFIIYDPYCVWUFB-SNVBAGLBSA-N 1 2 284.281 3.853 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2coc3ccccc23)o1 ZINC000220942053 333171155 /nfs/dbraw/zinc/17/11/55/333171155.db2.gz KSYQNYGAPVMMTF-LLVKDONJSA-N 1 2 256.305 3.580 10 0 CHAELO Clc1csc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000194345826 333269668 /nfs/dbraw/zinc/26/96/68/333269668.db2.gz PNYPGUCGXIAZKD-STQMWFEESA-N 1 2 271.813 3.545 10 0 CHAELO Clc1csc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000194345826 333269669 /nfs/dbraw/zinc/26/96/69/333269669.db2.gz 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/nfs/dbraw/zinc/13/49/36/267134936.db2.gz WAYDNHUAEJGRNE-CYBMUJFWSA-N 1 2 269.348 3.597 10 0 CHAELO Clc1cccc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000173759364 329148204 /nfs/dbraw/zinc/14/82/04/329148204.db2.gz ZHBFBGJRMOGHHC-LBPRGKRZSA-N 1 2 262.740 3.665 10 0 CHAELO Clc1cccc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000173759364 329148206 /nfs/dbraw/zinc/14/82/06/329148206.db2.gz ZHBFBGJRMOGHHC-LBPRGKRZSA-N 1 2 262.740 3.665 10 0 CHAELO CC[C@@H](Nc1cccc(-c2cnco2)c1)c1[nH+]ccn1C ZINC000182833442 329244676 /nfs/dbraw/zinc/24/46/76/329244676.db2.gz UPLBLNAERBIGQU-CQSZACIVSA-N 1 2 282.347 3.638 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(Cl)cs2)o1 ZINC000226402922 329260804 /nfs/dbraw/zinc/26/08/04/329260804.db2.gz VYCQAUSUWAMIRO-MRVPVSSYSA-N 1 2 256.758 3.549 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)o1 ZINC000231525330 329376865 /nfs/dbraw/zinc/37/68/65/329376865.db2.gz JJXCGUJGAQEURZ-SECBINFHSA-N 1 2 268.719 3.626 10 0 CHAELO CCc1cccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000189228587 333186920 /nfs/dbraw/zinc/18/69/20/333186920.db2.gz GTGKPPISZCYVRP-UHFFFAOYSA-N 1 2 297.446 3.664 10 0 CHAELO CCc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000189228587 333186922 /nfs/dbraw/zinc/18/69/22/333186922.db2.gz GTGKPPISZCYVRP-UHFFFAOYSA-N 1 2 297.446 3.664 10 0 CHAELO CCc1cccc(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000189228587 333186924 /nfs/dbraw/zinc/18/69/24/333186924.db2.gz GTGKPPISZCYVRP-UHFFFAOYSA-N 1 2 297.446 3.664 10 0 CHAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000193527401 333252162 /nfs/dbraw/zinc/25/21/62/333252162.db2.gz HFTVLPYPEMJWMH-LBPRGKRZSA-N 1 2 285.391 3.921 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C(F)F)c2)o1 ZINC000232004947 333332639 /nfs/dbraw/zinc/33/26/39/333332639.db2.gz BPHOLQIPFLWYJG-JTQLQIEISA-N 1 2 266.291 3.771 10 0 CHAELO Brc1ccc2[nH+]c(Cc3ccccc3)cn2c1 ZINC000062431866 518217693 /nfs/dbraw/zinc/21/76/93/518217693.db2.gz JSUPMBWLOVQBPB-UHFFFAOYSA-N 1 2 287.160 3.688 10 0 CHAELO CCNc1cc(CC)[nH+]c(-c2ccccc2CC)n1 ZINC000052202264 520270794 /nfs/dbraw/zinc/27/07/94/520270794.db2.gz VIWCKMCYIJGHAV-UHFFFAOYSA-N 1 2 255.365 3.700 10 0 CHAELO CC[C@@H](C)SCc1cc2ccc(OC)cc2[nH+]c1N ZINC000050837432 522274045 /nfs/dbraw/zinc/27/40/45/522274045.db2.gz AJADRGCNIDUVAW-SNVBAGLBSA-N 1 2 276.405 3.857 10 0 CHAELO CNc1[nH+]cccc1CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052755066 522709866 /nfs/dbraw/zinc/70/98/66/522709866.db2.gz DLSWNPWHETVVRY-GXTWGEPZSA-N 1 2 262.397 3.855 10 0 CHAELO C[C@@H]1CCC[C@H](SCc2[nH]c3ccc(N)cc3[nH+]2)C1 ZINC000054689616 524412626 /nfs/dbraw/zinc/41/26/26/524412626.db2.gz QZSQQBPWYSWIFU-PWSUYJOCSA-N 1 2 275.421 3.957 10 0 CHAELO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127648991 524445090 /nfs/dbraw/zinc/44/50/90/524445090.db2.gz FKFRBNOPBUGXNN-ZDUSSCGKSA-N 1 2 262.378 3.772 10 0 CHAELO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127648991 524445102 /nfs/dbraw/zinc/44/51/02/524445102.db2.gz FKFRBNOPBUGXNN-ZDUSSCGKSA-N 1 2 262.378 3.772 10 0 CHAELO Fc1ccc(F)c([C@@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000191674506 1125326366 /nfs/dbraw/zinc/32/63/66/1125326366.db2.gz SSNHCXHTTNPBQS-LLVKDONJSA-N 1 2 294.370 3.801 10 0 CHAELO Fc1ccc(F)c([C@@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000191674506 1125326369 /nfs/dbraw/zinc/32/63/69/1125326369.db2.gz SSNHCXHTTNPBQS-LLVKDONJSA-N 1 2 294.370 3.801 10 0 CHAELO CCCc1cc(NC)nc(-c2ccc(CC)cc2)[nH+]1 ZINC000110104439 186286161 /nfs/dbraw/zinc/28/61/61/186286161.db2.gz HXGGUOOJDPBJJB-UHFFFAOYSA-N 1 2 255.365 3.700 10 0 CHAELO C[C@H]1CCCC[N@@H+]1CC(=O)c1ccccc1Br ZINC000006052939 170172598 /nfs/dbraw/zinc/17/25/98/170172598.db2.gz YSNOELBFGHKBDM-NSHDSACASA-N 1 2 296.208 3.506 10 0 CHAELO C[C@H]1CCCC[N@H+]1CC(=O)c1ccccc1Br ZINC000006052939 170172600 /nfs/dbraw/zinc/17/26/00/170172600.db2.gz YSNOELBFGHKBDM-NSHDSACASA-N 1 2 296.208 3.506 10 0 CHAELO C[C@@H]1CCC[N@H+](CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000009996512 170393718 /nfs/dbraw/zinc/39/37/18/170393718.db2.gz KRSKMPBJXGEHTH-SNVBAGLBSA-N 1 2 286.202 3.908 10 0 CHAELO C[C@@H]1CCC[N@@H+](CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000009996512 170393719 /nfs/dbraw/zinc/39/37/19/170393719.db2.gz KRSKMPBJXGEHTH-SNVBAGLBSA-N 1 2 286.202 3.908 10 0 CHAELO CCCCC[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000021061631 171297279 /nfs/dbraw/zinc/29/72/79/171297279.db2.gz UFYFPZXIJKUAQT-UHFFFAOYSA-N 1 2 257.761 3.959 10 0 CHAELO Cc1nc(C[NH2+][C@H](C)c2cc(F)ccc2F)cs1 ZINC000035256260 172086495 /nfs/dbraw/zinc/08/64/95/172086495.db2.gz SWFOTZUPEALXRB-MRVPVSSYSA-N 1 2 268.332 3.581 10 0 CHAELO Cc1cc2[nH+]cn(-c3ccc([C@H](C)O)cc3)c2cc1C ZINC000035631821 172313595 /nfs/dbraw/zinc/31/35/95/172313595.db2.gz FCFKSRROOGWTLK-ZDUSSCGKSA-N 1 2 266.344 3.696 10 0 CHAELO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccco2)c(C)s1 ZINC000035738566 172391317 /nfs/dbraw/zinc/39/13/17/172391317.db2.gz BWCDTVLSVMMLFX-IUCAKERBSA-N 1 2 250.367 3.765 10 0 CHAELO Nc1cccc(Cl)c1SCc1cn2ccccc2[nH+]1 ZINC000037204337 173026550 /nfs/dbraw/zinc/02/65/50/173026550.db2.gz OKDSBCKGIJULNG-UHFFFAOYSA-N 1 2 289.791 3.862 10 0 CHAELO Nc1ccc2[nH+]c(NCCC3CCCC3)ccc2c1 ZINC000037741123 173662985 /nfs/dbraw/zinc/66/29/85/173662985.db2.gz QBVZEVDXMARWFT-UHFFFAOYSA-N 1 2 255.365 3.809 10 0 CHAELO CCCCc1ccc([C@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000038034317 174032651 /nfs/dbraw/zinc/03/26/51/174032651.db2.gz UJZGHWVBGPOXQR-LBPRGKRZSA-N 1 2 273.380 3.571 10 0 CHAELO CC[C@H](C)[NH2+][C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066613 174077325 /nfs/dbraw/zinc/07/73/25/174077325.db2.gz VGNXQTOMYAPWHC-NHYWBVRUSA-N 1 2 283.799 3.506 10 0 CHAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)Nc1ccccc1 ZINC000040295906 174223661 /nfs/dbraw/zinc/22/36/61/174223661.db2.gz CAKXCZHIGDPOAV-UHFFFAOYSA-N 1 2 291.354 3.552 10 0 CHAELO CCCCCCn1c2cc(C)c(C)cc2[nH+]c1CCO ZINC000040310634 174230453 /nfs/dbraw/zinc/23/04/53/174230453.db2.gz XJBZDCHWMAOYOZ-UHFFFAOYSA-N 1 2 274.408 3.768 10 0 CHAELO CCOCCCn1c(CC)[nH+]c2ccc(Cl)cc21 ZINC000040403212 174253843 /nfs/dbraw/zinc/25/38/43/174253843.db2.gz DZXNVGZFARKTBI-UHFFFAOYSA-N 1 2 266.772 3.679 10 0 CHAELO CCOCCn1c2cc(Cl)ccc2[nH+]c1C(C)C ZINC000040405059 174254022 /nfs/dbraw/zinc/25/40/22/174254022.db2.gz TZJOPZJIBLVPQP-UHFFFAOYSA-N 1 2 266.772 3.850 10 0 CHAELO Cc1cc(C)c([C@H](O)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000044123449 175143521 /nfs/dbraw/zinc/14/35/21/175143521.db2.gz STAHWWAVXSOOAV-GOSISDBHSA-N 1 2 283.415 3.777 10 0 CHAELO Cc1cc(C)c([C@H](O)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000044123449 175143523 /nfs/dbraw/zinc/14/35/23/175143523.db2.gz STAHWWAVXSOOAV-GOSISDBHSA-N 1 2 283.415 3.777 10 0 CHAELO CCOc1ccc2[nH+]c(Nc3ccccc3)[nH]c2c1 ZINC000026474147 260131084 /nfs/dbraw/zinc/13/10/84/260131084.db2.gz GGCQYTXSFGIAAX-UHFFFAOYSA-N 1 2 253.305 3.705 10 0 CHAELO CCn1cc[nH+]c1C[S@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000177294687 261345163 /nfs/dbraw/zinc/34/51/63/261345163.db2.gz FFFXTXLCFAWVTI-WYRIXSBYSA-N 1 2 296.823 3.566 10 0 CHAELO Cc1cc2ccccc2[nH+]c1NCCc1ccc(O)cc1 ZINC000063105912 327944175 /nfs/dbraw/zinc/94/41/75/327944175.db2.gz MUGLICSFDQECOD-UHFFFAOYSA-N 1 2 278.355 3.903 10 0 CHAELO CC(C)c1nc(N[C@H](C)COCc2ccccc2)cc[nH+]1 ZINC000172780504 329138666 /nfs/dbraw/zinc/13/86/66/329138666.db2.gz XXNSYSGPPMYARU-CQSZACIVSA-N 1 2 285.391 3.617 10 0 CHAELO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccncc1 ZINC000172987981 329141767 /nfs/dbraw/zinc/14/17/67/329141767.db2.gz NDARXRVZBNSLGU-OLZOCXBDSA-N 1 2 294.358 3.543 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)cc2)o1 ZINC000220936955 329204084 /nfs/dbraw/zinc/20/40/84/329204084.db2.gz VUADEAFXVUIYDC-JTQLQIEISA-N 1 2 295.180 3.596 10 0 CHAELO Cc1cccc(-c2noc(C[NH2+][C@H](C)c3cccs3)n2)c1 ZINC000182548252 329242877 /nfs/dbraw/zinc/24/28/77/329242877.db2.gz BRZYYEKUWJUYCC-GFCCVEGCSA-N 1 2 299.399 3.957 10 0 CHAELO Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)s1 ZINC000185876685 329334133 /nfs/dbraw/zinc/33/41/33/329334133.db2.gz SQNPGSURVACSNB-UHFFFAOYSA-N 1 2 295.411 3.803 10 0 CHAELO Fc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185877803 329334158 /nfs/dbraw/zinc/33/41/58/329334158.db2.gz TXGAEIMKRLUOBQ-UHFFFAOYSA-N 1 2 293.345 3.573 10 0 CHAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccoc1 ZINC000186060595 329336925 /nfs/dbraw/zinc/33/69/25/329336925.db2.gz VQNGZPQWDSTOAH-ZDUSSCGKSA-N 1 2 279.343 3.587 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)cc2Cl)o1 ZINC000230646698 329367815 /nfs/dbraw/zinc/36/78/15/329367815.db2.gz UOADDVUPACPCKA-SECBINFHSA-N 1 2 268.719 3.626 10 0 CHAELO C[C@H](NC(=O)CCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176964596 333051192 /nfs/dbraw/zinc/05/11/92/333051192.db2.gz YVTLCNKLRJOIOW-AWEZNQCLSA-N 1 2 297.402 3.630 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)o1 ZINC000220905854 333170671 /nfs/dbraw/zinc/17/06/71/333170671.db2.gz CRLZKWOXXFNDRW-NXEZZACHSA-N 1 2 266.291 3.673 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C3CC3)cc2)o1 ZINC000235191218 333366329 /nfs/dbraw/zinc/36/63/29/333366329.db2.gz OJCCIIPBUDHKNL-GFCCVEGCSA-N 1 2 256.349 3.711 10 0 CHAELO Cc1cnc([C@@H](C)Nc2ccc3ccccc3[nH+]2)o1 ZINC000235214866 333366856 /nfs/dbraw/zinc/36/68/56/333366856.db2.gz CLJSQQWBFGFLQK-LLVKDONJSA-N 1 2 253.305 3.704 10 0 CHAELO CCc1c(C)[nH+]c(-c2ccc(C)c(C)c2)nc1NC ZINC000103969524 517842997 /nfs/dbraw/zinc/84/29/97/517842997.db2.gz POIAGMOFCZVMSY-UHFFFAOYSA-N 1 2 255.365 3.673 10 0 CHAELO CCCNc1cc(C)[nH+]c(Cc2ccccc2C)n1 ZINC000050849213 520136185 /nfs/dbraw/zinc/13/61/85/520136185.db2.gz FKJQPCAJLFSABA-UHFFFAOYSA-N 1 2 255.365 3.506 10 0 CHAELO CCCNc1[nH+]cccc1CO[C@@H]1CCCC[C@H]1C ZINC000052754789 520196026 /nfs/dbraw/zinc/19/60/26/520196026.db2.gz LNOHJNBVRXALKG-UKRRQHHQSA-N 1 2 262.397 3.999 10 0 CHAELO CC1CC[NH+](Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050839775 521025031 /nfs/dbraw/zinc/02/50/31/521025031.db2.gz OLJUKNFPPPDRMY-UHFFFAOYSA-N 1 2 281.812 3.577 10 0 CHAELO CCC[C@H](O)[C@@H](CC)n1c2ccccc2[nH+]c1CC ZINC000062807851 521192524 /nfs/dbraw/zinc/19/25/24/521192524.db2.gz WAYOPQHIYZZDIU-HIFRSBDPSA-N 1 2 260.381 3.711 10 0 CHAELO CC[C@@H]([NH2+][C@@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000069150313 522906410 /nfs/dbraw/zinc/90/64/10/522906410.db2.gz YUCZZYCDOBFRSS-ZIAGYGMSSA-N 1 2 283.799 3.578 10 0 CHAELO 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C[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cccs1 ZINC000179957542 329213947 /nfs/dbraw/zinc/21/39/47/329213947.db2.gz ONSWFQGCULGRRZ-VIFPVBQESA-N 1 2 291.401 3.710 10 0 CHAELO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c(C)n1 ZINC000186908776 329350343 /nfs/dbraw/zinc/35/03/43/329350343.db2.gz XVRDTTIRNGBKCB-OAHLLOKOSA-N 1 2 287.432 3.882 10 0 CHAELO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)c(C)n1 ZINC000186908776 329350344 /nfs/dbraw/zinc/35/03/44/329350344.db2.gz XVRDTTIRNGBKCB-OAHLLOKOSA-N 1 2 287.432 3.882 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(F)c2Cl)o1 ZINC000230645711 329367803 /nfs/dbraw/zinc/36/78/03/329367803.db2.gz VKUFHIFGRYYGOI-SECBINFHSA-N 1 2 268.719 3.626 10 0 CHAELO CCn1cc[nH+]c1CSc1nc(-c2ccccc2)co1 ZINC000195110966 331137854 /nfs/dbraw/zinc/13/78/54/331137854.db2.gz RMZVKSSTPSOQOR-UHFFFAOYSA-N 1 2 285.372 3.850 10 0 CHAELO CCCc1[nH+]c2ccccc2n1CC(O)(CC)CC ZINC000165201299 331306041 /nfs/dbraw/zinc/30/60/41/331306041.db2.gz XMNKHFJEUYKOFO-UHFFFAOYSA-N 1 2 260.381 3.540 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(OC(C)C)c2)o1 ZINC000220911141 333170614 /nfs/dbraw/zinc/17/06/14/333170614.db2.gz AMHSKEQTOBEMHK-ZDUSSCGKSA-N 1 2 274.364 3.621 10 0 CHAELO Cc1cnc([C@H](C)Nc2cc(C(F)(F)F)cc[nH+]2)o1 ZINC000235520865 333370453 /nfs/dbraw/zinc/37/04/53/333370453.db2.gz AIPBLGLGFWFKQK-QMMMGPOBSA-N 1 2 271.242 3.570 10 0 CHAELO CC[C@H]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000080433311 334171372 /nfs/dbraw/zinc/17/13/72/334171372.db2.gz XJMQNOHGKDIMTN-UONOGXRCSA-N 1 2 259.397 3.672 10 0 CHAELO CCNc1cc(C(C)C)[nH+]c(-c2cccc(F)c2)n1 ZINC000050851827 520266092 /nfs/dbraw/zinc/26/60/92/520266092.db2.gz ORNXFVSDCSBOMO-UHFFFAOYSA-N 1 2 259.328 3.838 10 0 CHAELO CC(C)(C)C1CCC(C[NH2+]CC(F)(F)F)CC1 ZINC000054667912 518605985 /nfs/dbraw/zinc/60/59/85/518605985.db2.gz YHEZPTUWMSSEDX-UHFFFAOYSA-N 1 2 251.336 3.991 10 0 CHAELO CC(C)c1cc(N)nc(-c2ccc(F)c(Cl)c2)[nH+]1 ZINC000062793267 519832887 /nfs/dbraw/zinc/83/28/87/519832887.db2.gz ACEKFPHRPOZGLN-UHFFFAOYSA-N 1 2 265.719 3.642 10 0 CHAELO CCC1CC[NH+](Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050840136 519859662 /nfs/dbraw/zinc/85/96/62/519859662.db2.gz XGXIDRACMXBBSN-UHFFFAOYSA-N 1 2 295.839 3.967 10 0 CHAELO CC(C)n1cc[nH+]c1CN1c2ccccc2SC[C@H]1C ZINC000150815455 520030523 /nfs/dbraw/zinc/03/05/23/520030523.db2.gz PUFZFUXUTBRKOX-CYBMUJFWSA-N 1 2 287.432 3.965 10 0 CHAELO CCCNc1ccc(CO[C@H]2CCCC[C@@H]2C)c[nH+]1 ZINC000050831728 520160272 /nfs/dbraw/zinc/16/02/72/520160272.db2.gz IZPYXRCZBBQQJA-ZFWWWQNUSA-N 1 2 262.397 3.999 10 0 CHAELO CCCNc1[nH+]cccc1COc1ccc(C)cc1 ZINC000052754751 520195833 /nfs/dbraw/zinc/19/58/33/520195833.db2.gz DDERDHDVOAKLJF-UHFFFAOYSA-N 1 2 256.349 3.791 10 0 CHAELO CCNc1cc(CC)[nH+]c(-c2ccc(C)cc2C)n1 ZINC000050865156 520269887 /nfs/dbraw/zinc/26/98/87/520269887.db2.gz MUHOJPDUOBSECP-UHFFFAOYSA-N 1 2 255.365 3.755 10 0 CHAELO C[C@@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccc(Cl)cc1 ZINC000061812955 525721379 /nfs/dbraw/zinc/72/13/79/525721379.db2.gz XNNDTLCRQKGQPB-SECBINFHSA-N 1 2 291.807 3.542 10 0 CHAELO Cc1[nH]cc(CNc2ccc(SC(F)F)cc2)[nH+]1 ZINC000054821663 526899542 /nfs/dbraw/zinc/89/95/42/526899542.db2.gz HBRFZMCQAXFACQ-UHFFFAOYSA-N 1 2 269.320 3.645 10 0 CHAELO Cc1[nH]c(CNc2ccc(SC(F)F)cc2)c[nH+]1 ZINC000054821663 526899537 /nfs/dbraw/zinc/89/95/37/526899537.db2.gz HBRFZMCQAXFACQ-UHFFFAOYSA-N 1 2 269.320 3.645 10 0 CHAELO C[C@@H]1CCc2[nH+]c(-c3cccc(Br)c3)cn2C1 ZINC000258591911 567930942 /nfs/dbraw/zinc/93/09/42/567930942.db2.gz VEOQZKYZANUZRT-SNVBAGLBSA-N 1 2 291.192 3.895 10 0 CHAELO C[C@H]1CCc2[nH+]c(-c3ccc(Cl)s3)cn2C1 ZINC000258249372 567931025 /nfs/dbraw/zinc/93/10/25/567931025.db2.gz HOPLRZVJWLSPCZ-QMMMGPOBSA-N 1 2 252.770 3.847 10 0 CHAELO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000102773388 1118208898 /nfs/dbraw/zinc/20/88/98/1118208898.db2.gz VCGUADNXXSMRDY-NSHDSACASA-N 1 2 293.436 3.930 10 0 CHAELO Cc1ccc(C[N@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000102773388 1118208900 /nfs/dbraw/zinc/20/89/00/1118208900.db2.gz VCGUADNXXSMRDY-NSHDSACASA-N 1 2 293.436 3.930 10 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CHAELO Cc1ccc(Nc2nc[nH+]c(NC(C)C)c2N)cc1Cl ZINC000040703542 174378818 /nfs/dbraw/zinc/37/88/18/174378818.db2.gz JASSFSJJQIGLBO-UHFFFAOYSA-N 1 2 291.786 3.585 10 0 CHAELO Cc1cccc(Nc2[nH+]cnc(NC3CCCCC3)c2N)c1 ZINC000040708577 174380107 /nfs/dbraw/zinc/38/01/07/174380107.db2.gz GZXVPAJABIDHNV-UHFFFAOYSA-N 1 2 297.406 3.855 10 0 CHAELO Cc1cccc(Nc2nc[nH+]c(NC3CCCCC3)c2N)c1 ZINC000040708577 174380109 /nfs/dbraw/zinc/38/01/09/174380109.db2.gz GZXVPAJABIDHNV-UHFFFAOYSA-N 1 2 297.406 3.855 10 0 CHAELO CCCC[N@H+](CC)C[C@H](O)c1ccc(OCCC)cc1 ZINC000044124294 175143885 /nfs/dbraw/zinc/14/38/85/175143885.db2.gz AOIJSVPRPXDRSR-KRWDZBQOSA-N 1 2 279.424 3.631 10 0 CHAELO CCCC[N@@H+](CC)C[C@H](O)c1ccc(OCCC)cc1 ZINC000044124294 175143886 /nfs/dbraw/zinc/14/38/86/175143886.db2.gz AOIJSVPRPXDRSR-KRWDZBQOSA-N 1 2 279.424 3.631 10 0 CHAELO Cn1c2ccccc2[nH+]c1N[C@H]1CCOc2ccccc21 ZINC000079046754 260174202 /nfs/dbraw/zinc/17/42/02/260174202.db2.gz LBZJZQQNQMENCV-ZDUSSCGKSA-N 1 2 279.343 3.509 10 0 CHAELO CC(C)n1cc[nH+]c1CSCCc1ccccc1 ZINC000175313219 261218785 /nfs/dbraw/zinc/21/87/85/261218785.db2.gz WZNGAGPQNDWTPY-UHFFFAOYSA-N 1 2 260.406 3.940 10 0 CHAELO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cncs1 ZINC000164938674 261362334 /nfs/dbraw/zinc/36/23/34/261362334.db2.gz SCLLALBMAFWDIQ-NSHDSACASA-N 1 2 261.394 3.691 10 0 CHAELO CC(C)n1cc[nH+]c1CSCCOc1ccccc1 ZINC000171158418 261458797 /nfs/dbraw/zinc/45/87/97/261458797.db2.gz NMYKWMYDCBYRSK-UHFFFAOYSA-N 1 2 276.405 3.776 10 0 CHAELO Cc1cc(C)cc(C[S@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000176838395 261671543 /nfs/dbraw/zinc/67/15/43/261671543.db2.gz AXMRKBJFGGMNRV-FQEVSTJZSA-N 1 2 290.432 3.530 10 0 CHAELO CCn1cc[nH+]c1CSCc1ccc(Cl)cc1 ZINC000106587126 261854725 /nfs/dbraw/zinc/85/47/25/261854725.db2.gz CWSWTTHRQBKNBA-UHFFFAOYSA-N 1 2 266.797 3.990 10 0 CHAELO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(F)c(Cl)c1 ZINC000180725891 261871684 /nfs/dbraw/zinc/87/16/84/261871684.db2.gz BFHZTYOONOVSPD-MRVPVSSYSA-N 1 2 295.745 3.590 10 0 CHAELO CC/C=C/CC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000184492981 262021318 /nfs/dbraw/zinc/02/13/18/262021318.db2.gz UUOCGKUEOVTDIV-URWSZGRFSA-N 1 2 263.385 3.686 10 0 CHAELO CC/C=C/CC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000184492981 262021320 /nfs/dbraw/zinc/02/13/20/262021320.db2.gz UUOCGKUEOVTDIV-URWSZGRFSA-N 1 2 263.385 3.686 10 0 CHAELO Clc1cc2cccnc2c(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000379004356 327776336 /nfs/dbraw/zinc/77/63/36/327776336.db2.gz DAXZPGQSZRMZGL-GFCCVEGCSA-N 1 2 284.750 3.642 10 0 CHAELO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180303158 329219273 /nfs/dbraw/zinc/21/92/73/329219273.db2.gz KONMQTNQHXKCHI-DGCLKSJQSA-N 1 2 260.381 3.791 10 0 CHAELO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3o2)o1 ZINC000183084116 329247010 /nfs/dbraw/zinc/24/70/10/329247010.db2.gz BFXBAOUFJPDLLX-NSHDSACASA-N 1 2 256.305 3.580 10 0 CHAELO Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc[nH+]cc1C)[C@@H](C)C2 ZINC000184188602 329257094 /nfs/dbraw/zinc/25/70/94/329257094.db2.gz DDUGZSMMMZEAKS-YVEFUNNKSA-N 1 2 295.386 3.753 10 0 CHAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)o1 ZINC000186063430 329336956 /nfs/dbraw/zinc/33/69/56/329336956.db2.gz DLQNNGMVXDWNSO-AWEZNQCLSA-N 1 2 293.370 3.896 10 0 CHAELO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](C2CCC2)CCO1 ZINC000187720440 329362700 /nfs/dbraw/zinc/36/27/00/329362700.db2.gz SMUNKRNFIBXBGQ-AWEZNQCLSA-N 1 2 285.309 3.631 10 0 CHAELO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](C2CCC2)CCO1 ZINC000187720440 329362702 /nfs/dbraw/zinc/36/27/02/329362702.db2.gz SMUNKRNFIBXBGQ-AWEZNQCLSA-N 1 2 285.309 3.631 10 0 CHAELO Fc1ccc(C[N@H+]2CC=C(c3ccccc3F)CC2)cn1 ZINC000189582478 329383552 /nfs/dbraw/zinc/38/35/52/329383552.db2.gz IUROKUFWQJTGAC-UHFFFAOYSA-N 1 2 286.325 3.649 10 0 CHAELO Fc1ccc(C[N@@H+]2CC=C(c3ccccc3F)CC2)cn1 ZINC000189582478 329383554 /nfs/dbraw/zinc/38/35/54/329383554.db2.gz IUROKUFWQJTGAC-UHFFFAOYSA-N 1 2 286.325 3.649 10 0 CHAELO Cc1nc(N[C@@H](C)c2cccc(Br)c2)cc[nH+]1 ZINC000054935981 329673035 /nfs/dbraw/zinc/67/30/35/329673035.db2.gz YHXADYBAUPCIMM-VIFPVBQESA-N 1 2 292.180 3.721 10 0 CHAELO CC(C)n1cc[nH+]c1CSc1ccc(Cl)cn1 ZINC000195517412 329693357 /nfs/dbraw/zinc/69/33/57/329693357.db2.gz HBXTVYYWVMPOQL-UHFFFAOYSA-N 1 2 267.785 3.805 10 0 CHAELO C[C@H]([NH2+]Cc1csnn1)c1ccc(Cl)c(Cl)c1 ZINC000036902028 330310989 /nfs/dbraw/zinc/31/09/89/330310989.db2.gz HCUMADWWWQNUTI-ZETCQYMHSA-N 1 2 288.203 3.696 10 0 CHAELO C[C@@H](NC(=O)CCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176964611 333051286 /nfs/dbraw/zinc/05/12/86/333051286.db2.gz YVTLCNKLRJOIOW-CQSZACIVSA-N 1 2 297.402 3.630 10 0 CHAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(Cl)cs1 ZINC000194416534 333270963 /nfs/dbraw/zinc/27/09/63/333270963.db2.gz UPKNDHDSHFJIJI-SECBINFHSA-N 1 2 289.828 3.564 10 0 CHAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(Cl)cs1 ZINC000194416534 333270965 /nfs/dbraw/zinc/27/09/65/333270965.db2.gz UPKNDHDSHFJIJI-SECBINFHSA-N 1 2 289.828 3.564 10 0 CHAELO CCCNc1[nH+]cccc1COc1cccc(C)c1 ZINC000052734652 520196887 /nfs/dbraw/zinc/19/68/87/520196887.db2.gz GSOMFXCVWAPKIU-UHFFFAOYSA-N 1 2 256.349 3.791 10 0 CHAELO CCCc1cc(N)nc(-c2c(C)cc(C)cc2C)[nH+]1 ZINC000050866628 521366318 /nfs/dbraw/zinc/36/63/18/521366318.db2.gz GTRNKGAAEVJHCM-UHFFFAOYSA-N 1 2 255.365 3.604 10 0 CHAELO CNc1cc(CSc2ccc(F)cc2F)cc[nH+]1 ZINC000052756282 522568339 /nfs/dbraw/zinc/56/83/39/522568339.db2.gz WYHRHSCOXLJAER-UHFFFAOYSA-N 1 2 266.316 3.694 10 0 CHAELO CNc1ccc(COc2c(C)cc(C)cc2C)c[nH+]1 ZINC000050833406 522612056 /nfs/dbraw/zinc/61/20/56/522612056.db2.gz VUKLXYQSNZZMLB-UHFFFAOYSA-N 1 2 256.349 3.628 10 0 CHAELO COc1ccc([C@H](C)Nc2cc[nH+]c(C3CC3)n2)cc1OC ZINC000264632932 525337935 /nfs/dbraw/zinc/33/79/35/525337935.db2.gz KMNIRHPBKQCAST-NSHDSACASA-N 1 2 299.374 3.544 10 0 CHAELO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(N)ccc1Cl ZINC000061638445 526145108 /nfs/dbraw/zinc/14/51/08/526145108.db2.gz YRQJMDYJCRTKJL-VIFPVBQESA-N 1 2 281.812 3.572 10 0 CHAELO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(N)ccc1Cl ZINC000061638445 526145120 /nfs/dbraw/zinc/14/51/20/526145120.db2.gz YRQJMDYJCRTKJL-VIFPVBQESA-N 1 2 281.812 3.572 10 0 CHAELO Oc1cccc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127713998 526358795 /nfs/dbraw/zinc/35/87/95/526358795.db2.gz BBKUAHZGHHHTIK-AWEZNQCLSA-N 1 2 274.389 3.576 10 0 CHAELO Oc1cccc(C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127713998 526358799 /nfs/dbraw/zinc/35/87/99/526358799.db2.gz BBKUAHZGHHHTIK-AWEZNQCLSA-N 1 2 274.389 3.576 10 0 CHAELO Oc1cccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000127713770 526359689 /nfs/dbraw/zinc/35/96/89/526359689.db2.gz BBKUAHZGHHHTIK-CQSZACIVSA-N 1 2 274.389 3.576 10 0 CHAELO Oc1cccc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000127713770 526359695 /nfs/dbraw/zinc/35/96/95/526359695.db2.gz BBKUAHZGHHHTIK-CQSZACIVSA-N 1 2 274.389 3.576 10 0 CHAELO Cc1nc(C)c([C@H](C)Nc2ccc([NH3+])cc2C)s1 ZINC000049533723 526755980 /nfs/dbraw/zinc/75/59/80/526755980.db2.gz WZBVKFRCWQFGFB-JTQLQIEISA-N 1 2 261.394 3.824 10 0 CHAELO Nc1ccc2c(c1)[nH+]cn2-c1ccc(C(F)(F)F)cc1 ZINC000052842937 527508934 /nfs/dbraw/zinc/50/89/34/527508934.db2.gz QTFPHTHWPJPKNQ-UHFFFAOYSA-N 1 2 277.249 3.627 10 0 CHAELO Nc1c[nH+]ccc1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000062726031 527537016 /nfs/dbraw/zinc/53/70/16/527537016.db2.gz JBAXTCGVSVFGSK-UHFFFAOYSA-N 1 2 297.145 3.615 10 0 CHAELO CCC1CCC([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000330268142 527859259 /nfs/dbraw/zinc/85/92/59/527859259.db2.gz QZEOQRMDSIFVEF-BCLQGDPASA-N 1 2 290.455 3.985 10 0 CHAELO C[C@H]1CCn2cc(-c3ccccc3Br)[nH+]c2C1 ZINC000258432727 567931100 /nfs/dbraw/zinc/93/11/00/567931100.db2.gz OUCCDLWNFYOXMI-JTQLQIEISA-N 1 2 291.192 3.895 10 0 CHAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1 ZINC000008016064 170313363 /nfs/dbraw/zinc/31/33/63/170313363.db2.gz UDUANVYLOBSGGZ-UHFFFAOYSA-N 1 2 293.370 3.798 10 0 CHAELO CC[C@H]([NH2+][C@H](C(=O)OC)C(C)C)c1cccc(Cl)c1 ZINC000035346494 172138708 /nfs/dbraw/zinc/13/87/08/172138708.db2.gz PAHOMIGJOAHNAK-KBPBESRZSA-N 1 2 283.799 3.578 10 0 CHAELO CCOC(=O)[C@](C)([NH2+][C@H](C)CC)c1ccc(Cl)cc1 ZINC000038067698 174079472 /nfs/dbraw/zinc/07/94/72/174079472.db2.gz LKUVTNDYSTUPOD-IAQYHMDHSA-N 1 2 283.799 3.506 10 0 CHAELO CC(C)CNc1cc(NCC(C)C)[nH+]c(NCC(C)C)n1 ZINC000040430936 174260077 /nfs/dbraw/zinc/26/00/77/174260077.db2.gz HVZSNANIMUMCPH-UHFFFAOYSA-N 1 2 293.459 3.680 10 0 in-vivo CHAELO CC(C)Nc1nc[nH+]c(Nc2ccc(C(C)C)cc2)c1N ZINC000040705976 174379793 /nfs/dbraw/zinc/37/97/93/174379793.db2.gz CMMAZIQKEMIBLN-UHFFFAOYSA-N 1 2 285.395 3.746 10 0 CHAELO Cc1cc(C)c([C@@H](O)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000044123454 175143612 /nfs/dbraw/zinc/14/36/12/175143612.db2.gz STAHWWAVXSOOAV-SFHVURJKSA-N 1 2 283.415 3.777 10 0 CHAELO Cc1cc(C)c([C@@H](O)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000044123454 175143613 /nfs/dbraw/zinc/14/36/13/175143613.db2.gz STAHWWAVXSOOAV-SFHVURJKSA-N 1 2 283.415 3.777 10 0 CHAELO Cc1cc(N[C@@H](CO)CC(C)C)c2cccc(F)c2[nH+]1 ZINC000301687623 227641750 /nfs/dbraw/zinc/64/17/50/227641750.db2.gz VEMCVENZKLGBQT-GFCCVEGCSA-N 1 2 276.355 3.501 10 0 CHAELO COc1ccc2c(c1)CCC[C@@H]2Nc1c[nH+]ccc1C ZINC000071412939 260162427 /nfs/dbraw/zinc/16/24/27/260162427.db2.gz IEHHFKZLSIUSLE-INIZCTEOSA-N 1 2 268.360 3.888 10 0 CHAELO Cn1c2ccccc2[nH+]c1N[C@@H]1CCOc2ccccc21 ZINC000079046746 260174284 /nfs/dbraw/zinc/17/42/84/260174284.db2.gz LBZJZQQNQMENCV-CYBMUJFWSA-N 1 2 279.343 3.509 10 0 CHAELO CC(C)c1nc(N[C@@H](C)COCc2ccccc2)cc[nH+]1 ZINC000172780500 329138804 /nfs/dbraw/zinc/13/88/04/329138804.db2.gz XXNSYSGPPMYARU-AWEZNQCLSA-N 1 2 285.391 3.617 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2Br)o1 ZINC000220925479 329204069 /nfs/dbraw/zinc/20/40/69/329204069.db2.gz HHZSJNFMIGGLLN-SNVBAGLBSA-N 1 2 295.180 3.596 10 0 CHAELO CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000183076438 329247046 /nfs/dbraw/zinc/24/70/46/329247046.db2.gz QRAGJTSZTHNWHS-ZDUSSCGKSA-N 1 2 290.436 3.717 10 0 CHAELO CC(C)c1cnc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000183076438 329247048 /nfs/dbraw/zinc/24/70/48/329247048.db2.gz QRAGJTSZTHNWHS-ZDUSSCGKSA-N 1 2 290.436 3.717 10 0 CHAELO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220927432 333170847 /nfs/dbraw/zinc/17/08/47/333170847.db2.gz XIJAMVHSWFUUGS-OLZOCXBDSA-N 1 2 274.364 3.794 10 0 CHAELO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000036980925 333448740 /nfs/dbraw/zinc/44/87/40/333448740.db2.gz QJGIAJZHCVEMFA-ZBFHGGJFSA-N 1 2 277.408 3.542 10 0 CHAELO c1ccc2c(c1)OC[C@@H]2Nc1ccc2ccccc2[nH+]1 ZINC000070199010 333801309 /nfs/dbraw/zinc/80/13/09/333801309.db2.gz ALYIFEWQQUKOIA-HNNXBMFYSA-N 1 2 262.312 3.780 10 0 CHAELO Cc1cc[nH+]cc1N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000071413388 333860237 /nfs/dbraw/zinc/86/02/37/333860237.db2.gz XGVHJMCXQYGCDP-CYBMUJFWSA-N 1 2 284.359 3.552 10 0 CHAELO Clc1csc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000248738923 334315340 /nfs/dbraw/zinc/31/53/40/334315340.db2.gz PNYPGUCGXIAZKD-OLZOCXBDSA-N 1 2 271.813 3.545 10 0 CHAELO Clc1csc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000248738923 334315341 /nfs/dbraw/zinc/31/53/41/334315341.db2.gz PNYPGUCGXIAZKD-OLZOCXBDSA-N 1 2 271.813 3.545 10 0 CHAELO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000163005172 334390487 /nfs/dbraw/zinc/39/04/87/334390487.db2.gz FWUIIHHFDNEISK-NVXWUHKLSA-N 1 2 299.370 3.639 10 0 CHAELO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000163005172 334390489 /nfs/dbraw/zinc/39/04/89/334390489.db2.gz FWUIIHHFDNEISK-NVXWUHKLSA-N 1 2 299.370 3.639 10 0 CHAELO Cc1cc(N2CC[C@H]3CCCC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000301589139 533909504 /nfs/dbraw/zinc/90/95/04/533909504.db2.gz SNEVKZXIWCAGLO-KGLIPLIRSA-N 1 2 259.397 3.677 10 0 CHAELO CCCNc1[nH+]cccc1CO[C@H]1CCCC[C@H]1C ZINC000052754790 520196804 /nfs/dbraw/zinc/19/68/04/520196804.db2.gz LNOHJNBVRXALKG-HIFRSBDPSA-N 1 2 262.397 3.999 10 0 CHAELO CCNc1ccc(CO[C@H](C)c2ccccc2)c[nH+]1 ZINC000050831778 520303830 /nfs/dbraw/zinc/30/38/30/520303830.db2.gz UHPGCBZNOWDDJM-CYBMUJFWSA-N 1 2 256.349 3.791 10 0 CHAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2csc(C)n2)o1 ZINC000036960578 525943175 /nfs/dbraw/zinc/94/31/75/525943175.db2.gz MGIHWNHEGZINER-ZJUUUORDSA-N 1 2 250.367 3.765 10 0 CHAELO Fc1ccc2oc(C[N@@H+]3CCC[C@H]3c3ccco3)nc2c1 ZINC000151533407 526378139 /nfs/dbraw/zinc/37/81/39/526378139.db2.gz AXWITFLQBCMSPC-ZDUSSCGKSA-N 1 2 286.306 3.897 10 0 CHAELO Fc1ccc2oc(C[N@H+]3CCC[C@H]3c3ccco3)nc2c1 ZINC000151533407 526378147 /nfs/dbraw/zinc/37/81/47/526378147.db2.gz AXWITFLQBCMSPC-ZDUSSCGKSA-N 1 2 286.306 3.897 10 0 CHAELO Cc1[nH]ncc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000126156286 526556053 /nfs/dbraw/zinc/55/60/53/526556053.db2.gz QEJSRUHQBSUGLG-INIZCTEOSA-N 1 2 269.392 3.521 10 0 CHAELO Cc1[nH+]c(Cc2ccccc2Cl)nc(N)c1C(C)C ZINC000061687256 526927548 /nfs/dbraw/zinc/92/75/48/526927548.db2.gz MGRIPQYXBKTZNJ-UHFFFAOYSA-N 1 2 275.783 3.735 10 0 CHAELO CCNc1c(N)c[nH+]c2cc(Cl)c(Cl)c(Cl)c21 ZINC000584882380 570229404 /nfs/dbraw/zinc/22/94/04/570229404.db2.gz FKFADLINNBDYMK-UHFFFAOYSA-N 1 2 290.581 3.631 10 0 CHAELO Cc1ccc(CNc2cn[nH+]c3ccccc23)s1 ZINC000104103123 185895186 /nfs/dbraw/zinc/89/51/86/185895186.db2.gz HVTSOXNXKMDFCV-UHFFFAOYSA-N 1 2 255.346 3.612 10 0 CHAELO CCCNc1cc(CC)[nH+]c(-c2ccc(C)cc2)n1 ZINC000111819761 186459484 /nfs/dbraw/zinc/45/94/84/186459484.db2.gz SADGIQDHXSSCLS-UHFFFAOYSA-N 1 2 255.365 3.836 10 0 CHAELO CCCCc1c2c([nH+]c3c1CCC[C@@H]3O)CCCC2 ZINC000005499265 170104866 /nfs/dbraw/zinc/10/48/66/170104866.db2.gz KASONYUJHMHLCL-INIZCTEOSA-N 1 2 259.393 3.673 10 0 CHAELO Clc1ccccc1CN1CNc2[nH+]c3ccccc3n2C1 ZINC000005819101 170143497 /nfs/dbraw/zinc/14/34/97/170143497.db2.gz SRCRVKZYFSIIDN-UHFFFAOYSA-N 1 2 298.777 3.532 10 0 CHAELO Cc1cccc2c1[nH+]cn2Cc1c(F)cccc1F ZINC000005931370 170157339 /nfs/dbraw/zinc/15/73/39/170157339.db2.gz VPEWBYMJUVSDBS-UHFFFAOYSA-N 1 2 258.271 3.671 10 0 CHAELO Cc1nc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000035010128 171928098 /nfs/dbraw/zinc/92/80/98/171928098.db2.gz DKNLJVDRQKZWJP-MRVPVSSYSA-N 1 2 268.332 3.581 10 0 CHAELO COC(=O)[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C(C)C ZINC000035224658 172069546 /nfs/dbraw/zinc/06/95/46/172069546.db2.gz FJDLOWNDAJRWIB-LSDHHAIUSA-N 1 2 295.810 3.578 10 0 CHAELO Nc1ccc(SCc2ccc(Cl)cc2)c[nH+]1 ZINC000037192693 173022494 /nfs/dbraw/zinc/02/24/94/173022494.db2.gz QCIIOPNUHJEUQT-UHFFFAOYSA-N 1 2 250.754 3.610 10 0 CHAELO CCCOc1cccc(CNc2ccc[nH+]c2N(C)C)c1 ZINC000038038313 174038495 /nfs/dbraw/zinc/03/84/95/174038495.db2.gz PQHLCHRCAJLRHS-UHFFFAOYSA-N 1 2 285.391 3.549 10 0 CHAELO CCn1c(C[NH2+][C@H](C)c2ccc(C)o2)nc2ccccc21 ZINC000038046805 174055708 /nfs/dbraw/zinc/05/57/08/174055708.db2.gz SLXAUETVYFAMNG-CYBMUJFWSA-N 1 2 283.375 3.808 10 0 CHAELO CCc1[nH+]c2ccccc2n1Cc1ccc(OC)cc1 ZINC000040227335 174208485 /nfs/dbraw/zinc/20/84/85/174208485.db2.gz GJJPEIFEIBLJDC-UHFFFAOYSA-N 1 2 266.344 3.656 10 0 CHAELO CCN(c1cccc(C)c1)c1nc[nH+]c(NC(C)(C)C)c1N ZINC000040661683 174366084 /nfs/dbraw/zinc/36/60/84/174366084.db2.gz IXMVSVUQWVXEKC-UHFFFAOYSA-N 1 2 299.422 3.736 10 0 CHAELO Cc1cc(C)cc(Nc2[nH+]cnc(NC(C)(C)C)c2N)c1 ZINC000040680345 174374856 /nfs/dbraw/zinc/37/48/56/174374856.db2.gz MZKPTNIKFVUJCB-UHFFFAOYSA-N 1 2 285.395 3.630 10 0 CHAELO CCCC[N@H+](CC)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044124172 175143803 /nfs/dbraw/zinc/14/38/03/175143803.db2.gz ITJRERSYNUGUEK-MRXNPFEDSA-N 1 2 263.425 3.767 10 0 CHAELO CCCC[N@@H+](CC)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044124172 175143804 /nfs/dbraw/zinc/14/38/04/175143804.db2.gz ITJRERSYNUGUEK-MRXNPFEDSA-N 1 2 263.425 3.767 10 0 CHAELO CCCc1[nH]c2c(cc(Br)cc2C)[nH+]1 ZINC000071973493 176305920 /nfs/dbraw/zinc/30/59/20/176305920.db2.gz HSWYQPMJNOZBCF-UHFFFAOYSA-N 1 2 253.143 3.586 10 0 CHAELO CCCc1[nH]c2cc(Br)cc(C)c2[nH+]1 ZINC000071973493 176305923 /nfs/dbraw/zinc/30/59/23/176305923.db2.gz HSWYQPMJNOZBCF-UHFFFAOYSA-N 1 2 253.143 3.586 10 0 CHAELO Cc1ccccc1C1CC([NH2+]CC(F)(F)C(F)F)C1 ZINC000191776024 227165974 /nfs/dbraw/zinc/16/59/74/227165974.db2.gz BUEFCCKDTQQZPN-UHFFFAOYSA-N 1 2 275.289 3.731 10 0 CHAELO CCc1nc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000154386605 261091141 /nfs/dbraw/zinc/09/11/41/261091141.db2.gz XNHMIOYAUFLYQW-LBPRGKRZSA-N 1 2 287.407 3.780 10 0 CHAELO c1csc([C@H]2CCCCN2c2cc[nH+]c(C3CC3)n2)n1 ZINC000171986155 261489798 /nfs/dbraw/zinc/48/97/98/261489798.db2.gz JIMWIUFNBYKXBQ-GFCCVEGCSA-N 1 2 286.404 3.542 10 0 CHAELO CC(C)n1cc[nH+]c1CN1CCCc2cccc(F)c21 ZINC000170958061 327679624 /nfs/dbraw/zinc/67/96/24/327679624.db2.gz REYXFGRHUZVXDG-UHFFFAOYSA-N 1 2 273.355 3.556 10 0 CHAELO CCn1cc[nH+]c1CSCc1c(F)cccc1F ZINC000182837546 329245385 /nfs/dbraw/zinc/24/53/85/329245385.db2.gz GNSLCRUEKDIDGH-UHFFFAOYSA-N 1 2 268.332 3.615 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)cc(Cl)c2)o1 ZINC000339394336 327010324 /nfs/dbraw/zinc/01/03/24/327010324.db2.gz QRHGVQZFCIISSO-LLVKDONJSA-N 1 2 264.756 3.796 10 0 CHAELO Nc1cccc2c1CCC[N@@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000261562453 327020825 /nfs/dbraw/zinc/02/08/25/327020825.db2.gz AKGOOGXPNZLQGF-LBPRGKRZSA-N 1 2 280.362 3.847 10 0 CHAELO Nc1cccc2c1CCC[N@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000261562453 327020826 /nfs/dbraw/zinc/02/08/26/327020826.db2.gz AKGOOGXPNZLQGF-LBPRGKRZSA-N 1 2 280.362 3.847 10 0 CHAELO C[C@H]([NH2+]CCF)c1c(Cl)ccc(F)c1Cl ZINC000308833164 332828289 /nfs/dbraw/zinc/82/82/89/332828289.db2.gz UZRFJZXCZHWCQL-LURJTMIESA-N 1 2 254.107 3.753 10 0 CHAELO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccco2)nc2ccccc21 ZINC000172029509 329083476 /nfs/dbraw/zinc/08/34/76/329083476.db2.gz WCYRNSCVKALYPB-OAHLLOKOSA-N 1 2 281.359 3.503 10 0 CHAELO Cn1c(C[N@H+]2CCC[C@@H]2c2ccco2)nc2ccccc21 ZINC000172029509 329083477 /nfs/dbraw/zinc/08/34/77/329083477.db2.gz WCYRNSCVKALYPB-OAHLLOKOSA-N 1 2 281.359 3.503 10 0 CHAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2nccn2CC)o1 ZINC000172871284 329139484 /nfs/dbraw/zinc/13/94/84/329139484.db2.gz XBPQCFPTJOKPHV-HNNXBMFYSA-N 1 2 287.407 3.786 10 0 CHAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2nccn2CC)o1 ZINC000172871284 329139485 /nfs/dbraw/zinc/13/94/85/329139485.db2.gz XBPQCFPTJOKPHV-HNNXBMFYSA-N 1 2 287.407 3.786 10 0 CHAELO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1nccs1 ZINC000179422961 329208212 /nfs/dbraw/zinc/20/82/12/329208212.db2.gz WGSINSYBUDGCSD-CJNGLKHVSA-N 1 2 295.411 3.978 10 0 CHAELO CCn1cc[nH+]c1CNc1c(F)cc(Cl)cc1Cl ZINC000180872876 329223766 /nfs/dbraw/zinc/22/37/66/329223766.db2.gz YBPXZNSKZOCXIF-UHFFFAOYSA-N 1 2 288.153 3.961 10 0 CHAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183560951 329248638 /nfs/dbraw/zinc/24/86/38/329248638.db2.gz HHPMXKJGDLJELY-LBPRGKRZSA-N 1 2 298.390 3.512 10 0 CHAELO CCn1c(C)nnc1C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183560968 329248700 /nfs/dbraw/zinc/24/87/00/329248700.db2.gz HHPMXKJGDLJELY-GFCCVEGCSA-N 1 2 298.390 3.512 10 0 CHAELO Cc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185864713 329333940 /nfs/dbraw/zinc/33/39/40/329333940.db2.gz LQJNXESTJIRIKF-UHFFFAOYSA-N 1 2 289.382 3.742 10 0 CHAELO Cc1ccc(C)c(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106369988 330337251 /nfs/dbraw/zinc/33/72/51/330337251.db2.gz CZQQJVMDDBRKSI-UHFFFAOYSA-N 1 2 297.446 3.719 10 0 CHAELO CCc1nc([C@H](C)[NH2+][C@H](C)c2cncc(C)c2)cs1 ZINC000184353649 333127269 /nfs/dbraw/zinc/12/72/69/333127269.db2.gz UPPHAMAZBJMCII-NEPJUHHUSA-N 1 2 275.421 3.821 10 0 CHAELO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cncc(C)c2)cs1 ZINC000184353595 333127300 /nfs/dbraw/zinc/12/73/00/333127300.db2.gz UPPHAMAZBJMCII-NWDGAFQWSA-N 1 2 275.421 3.821 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2OC(C)C)o1 ZINC000220916085 333170780 /nfs/dbraw/zinc/17/07/80/333170780.db2.gz LIYJWWANOMJVEM-CYBMUJFWSA-N 1 2 274.364 3.621 10 0 CHAELO CCS[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000230923301 333322755 /nfs/dbraw/zinc/32/27/55/333322755.db2.gz KEIRVMAJPUDCBE-OLZOCXBDSA-N 1 2 279.453 3.995 10 0 CHAELO Fc1cccc(C2CC([NH2+]CC(F)(F)C(F)F)C2)c1 ZINC000236211470 333373206 /nfs/dbraw/zinc/37/32/06/333373206.db2.gz HKTYWVZTVFGPJF-UHFFFAOYSA-N 1 2 279.252 3.562 10 0 CHAELO Clc1cnccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000173758264 335139989 /nfs/dbraw/zinc/13/99/89/335139989.db2.gz OQPOEHUSLHCDQX-ZDUSSCGKSA-N 1 2 262.740 3.665 10 0 CHAELO Clc1cnccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000173758264 335139990 /nfs/dbraw/zinc/13/99/90/335139990.db2.gz OQPOEHUSLHCDQX-ZDUSSCGKSA-N 1 2 262.740 3.665 10 0 CHAELO CC[C@@H]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000080433303 334171455 /nfs/dbraw/zinc/17/14/55/334171455.db2.gz XJMQNOHGKDIMTN-ZIAGYGMSSA-N 1 2 259.397 3.672 10 0 CHAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2csnn2)cc1 ZINC000037044708 519840029 /nfs/dbraw/zinc/84/00/29/519840029.db2.gz JDWWJRWLIKBMQO-NSHDSACASA-N 1 2 261.394 3.512 10 0 CHAELO CCNc1[nH+]c2cc(OC)ccc2cc1CSCC ZINC000050833714 520360335 /nfs/dbraw/zinc/36/03/35/520360335.db2.gz HOLNEGUMRJVQTJ-UHFFFAOYSA-N 1 2 276.405 3.928 10 0 CHAELO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000114750163 522907953 /nfs/dbraw/zinc/90/79/53/522907953.db2.gz OBUSORNZSFAFBW-RKDXNWHRSA-N 1 2 297.761 3.836 10 0 CHAELO COc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000127714249 524449364 /nfs/dbraw/zinc/44/93/64/524449364.db2.gz UYTGFHZUHUMYTC-CQSZACIVSA-N 1 2 288.416 3.879 10 0 CHAELO COc1ccccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000127714249 524449371 /nfs/dbraw/zinc/44/93/71/524449371.db2.gz UYTGFHZUHUMYTC-CQSZACIVSA-N 1 2 288.416 3.879 10 0 CHAELO C[C@@H](Nc1nc[nH+]c(N)c1Cl)c1ccc(Cl)cc1 ZINC000227842516 525731650 /nfs/dbraw/zinc/73/16/50/525731650.db2.gz AJTHNSAYOUAMIK-SSDOTTSWSA-N 1 2 283.162 3.539 10 0 CHAELO C[C@@H](Nc1[nH+]cnc(N)c1Cl)c1ccc(Cl)cc1 ZINC000227842516 525731659 /nfs/dbraw/zinc/73/16/59/525731659.db2.gz AJTHNSAYOUAMIK-SSDOTTSWSA-N 1 2 283.162 3.539 10 0 CHAELO Cc1nc(C[N@H+]2CC=C(c3cccs3)CC2)cs1 ZINC000120853169 526851339 /nfs/dbraw/zinc/85/13/39/526851339.db2.gz YWBHKXBKCYKQOR-UHFFFAOYSA-N 1 2 276.430 3.802 10 0 CHAELO Cc1nc(C[N@@H+]2CC=C(c3cccs3)CC2)cs1 ZINC000120853169 526851344 /nfs/dbraw/zinc/85/13/44/526851344.db2.gz YWBHKXBKCYKQOR-UHFFFAOYSA-N 1 2 276.430 3.802 10 0 CHAELO Cc1nc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cs1 ZINC000037074421 527067441 /nfs/dbraw/zinc/06/74/41/527067441.db2.gz RPOZHSBEWUGQRX-GWCFXTLKSA-N 1 2 274.389 3.626 10 0 CHAELO CCS[C@H]1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302098164 529234992 /nfs/dbraw/zinc/23/49/92/529234992.db2.gz OXRWXSHHYIZPBB-STQMWFEESA-N 1 2 291.464 3.750 10 0 CHAELO Brc1ccc(-c2cn3c([nH+]2)CCCC3)s1 ZINC000258389408 567931028 /nfs/dbraw/zinc/93/10/28/567931028.db2.gz NBVXASPXIWWABV-UHFFFAOYSA-N 1 2 283.194 3.710 10 0 CHAELO CNc1c(N)c[nH+]c2c(Oc3ccc(C)cc3)cccc12 ZINC000584882529 570229416 /nfs/dbraw/zinc/22/94/16/570229416.db2.gz JNWBNFPXBZDARQ-UHFFFAOYSA-N 1 2 279.343 3.959 10 0 CHAELO COc1cc2[nH]c3c(cc[nH+]c3C)c2cc1Br ZINC000006520691 170209430 /nfs/dbraw/zinc/20/94/30/170209430.db2.gz YRYJSDPQWKIQRL-UHFFFAOYSA-N 1 2 291.148 3.796 10 0 in-vitro CHAELO Nc1ccc2[nH+]c(N3CCCCCCC3)ccc2c1 ZINC000035343229 172135387 /nfs/dbraw/zinc/13/53/87/172135387.db2.gz PIZVVYAWIZNKFB-UHFFFAOYSA-N 1 2 255.365 3.588 10 0 CHAELO Cc1cc2[nH+]cn(-c3ccccc3[C@H](C)O)c2cc1C ZINC000035650576 172327081 /nfs/dbraw/zinc/32/70/81/172327081.db2.gz WQJYBPKHISCRHG-ZDUSSCGKSA-N 1 2 266.344 3.696 10 0 CHAELO COC(=O)[C@](C)([NH2+]C1CCCC1)c1ccc(C(C)C)cc1 ZINC000037970088 173918947 /nfs/dbraw/zinc/91/89/47/173918947.db2.gz BQLNUYWKCLWLAM-GOSISDBHSA-N 1 2 289.419 3.730 10 0 CHAELO Clc1ccc(Cl)c(C[NH2+]Cc2cn[nH]c2)c1Cl ZINC000038006330 173969069 /nfs/dbraw/zinc/96/90/69/173969069.db2.gz HEMQDAISRZOMCV-UHFFFAOYSA-N 1 2 290.581 3.660 10 0 CHAELO CC[C@@H](C)[NH2+][C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066612 174077526 /nfs/dbraw/zinc/07/75/26/174077526.db2.gz VGNXQTOMYAPWHC-ABAIWWIYSA-N 1 2 283.799 3.506 10 0 CHAELO CCc1[nH+]c2ccccc2n1CCOc1ccccc1OC ZINC000040227355 174208795 /nfs/dbraw/zinc/20/87/95/174208795.db2.gz AODGAJVLTQRGBA-UHFFFAOYSA-N 1 2 296.370 3.686 10 0 CHAELO CC(C)(C)Nc1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040680586 174375384 /nfs/dbraw/zinc/37/53/84/174375384.db2.gz JETJVXSTHCSSBA-UHFFFAOYSA-N 1 2 291.786 3.666 10 0 CHAELO CC(C)(C)Nc1nc[nH+]c(Nc2cccc(Cl)c2)c1N ZINC000040680586 174375385 /nfs/dbraw/zinc/37/53/85/174375385.db2.gz JETJVXSTHCSSBA-UHFFFAOYSA-N 1 2 291.786 3.666 10 0 CHAELO CCCC[N@H+](CC)C[C@@H](O)c1ccc(OCCC)cc1 ZINC000044124299 175143791 /nfs/dbraw/zinc/14/37/91/175143791.db2.gz AOIJSVPRPXDRSR-QGZVFWFLSA-N 1 2 279.424 3.631 10 0 CHAELO CCCC[N@@H+](CC)C[C@@H](O)c1ccc(OCCC)cc1 ZINC000044124299 175143792 /nfs/dbraw/zinc/14/37/92/175143792.db2.gz AOIJSVPRPXDRSR-QGZVFWFLSA-N 1 2 279.424 3.631 10 0 CHAELO CCN(Cc1[nH+]ccn1C(C)C)c1ccc(F)cc1 ZINC000171631140 335072832 /nfs/dbraw/zinc/07/28/32/335072832.db2.gz BYWOHXMGLZMNJC-UHFFFAOYSA-N 1 2 261.344 3.630 10 0 CHAELO COc1ccc(C)cc1[C@@H](C)Nc1c[nH+]ccc1C ZINC000071413368 176158615 /nfs/dbraw/zinc/15/86/15/176158615.db2.gz HRJZYFDFZSBUGW-CYBMUJFWSA-N 1 2 256.349 3.880 10 0 CHAELO C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1[nH+]ccn1C ZINC000070443335 260157845 /nfs/dbraw/zinc/15/78/45/260157845.db2.gz RNSKVVOCKIHESC-SECBINFHSA-N 1 2 269.270 3.612 10 0 CHAELO FC(F)(F)c1cc[nH+]c(N[C@H]2COc3ccccc32)c1 ZINC000090803502 260262570 /nfs/dbraw/zinc/26/25/70/260262570.db2.gz MFOYHHQLAUNCPV-NSHDSACASA-N 1 2 280.249 3.646 10 0 CHAELO Cc1[nH+]cccc1N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000091496094 260266358 /nfs/dbraw/zinc/26/63/58/260266358.db2.gz XKZPCVJIRSIGQB-LBPRGKRZSA-N 1 2 284.359 3.724 10 0 in-vitro CHAELO C[C@H](COCc1ccccc1)Nc1ccc2ccccc2[nH+]1 ZINC000390668375 262237141 /nfs/dbraw/zinc/23/71/41/262237141.db2.gz WNWOZVXGTNDRBA-OAHLLOKOSA-N 1 2 292.382 3.674 10 0 CHAELO CCn1cc[nH+]c1CSCc1cc(F)ccc1C ZINC000187506660 263261281 /nfs/dbraw/zinc/26/12/81/263261281.db2.gz XTOGYZJBOCCRQP-UHFFFAOYSA-N 1 2 264.369 3.784 10 0 CHAELO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000164682617 327723228 /nfs/dbraw/zinc/72/32/28/327723228.db2.gz ZMIDXXFFDYPZRS-OCCSQVGLSA-N 1 2 296.374 3.518 10 0 CHAELO c1coc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000172026818 329083465 /nfs/dbraw/zinc/08/34/65/329083465.db2.gz RNLHSRUVEYNMKV-AWEZNQCLSA-N 1 2 295.342 3.667 10 0 CHAELO c1coc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000172026818 329083466 /nfs/dbraw/zinc/08/34/66/329083466.db2.gz RNLHSRUVEYNMKV-AWEZNQCLSA-N 1 2 295.342 3.667 10 0 CHAELO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1nnc(-c2ccccc2)o1 ZINC000172987989 329141738 /nfs/dbraw/zinc/14/17/38/329141738.db2.gz NDARXRVZBNSLGU-CHWSQXEVSA-N 1 2 294.358 3.543 10 0 CHAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547634 329198333 /nfs/dbraw/zinc/19/83/33/329198333.db2.gz MSAWIQXIHDMXHC-ABAIWWIYSA-N 1 2 298.415 3.615 10 0 CHAELO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000182863062 329245594 /nfs/dbraw/zinc/24/55/94/329245594.db2.gz MWUCBZPHUZNMCO-STQMWFEESA-N 1 2 294.358 3.543 10 0 CHAELO Cc1cnc([C@@H](C)Nc2[nH+]ccc(C)c2Br)o1 ZINC000231747141 329378624 /nfs/dbraw/zinc/37/86/24/329378624.db2.gz KYWQHTSVYIGRKY-SECBINFHSA-N 1 2 296.168 3.622 10 0 CHAELO CC[C@H](c1ccccc1)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176844420 333048850 /nfs/dbraw/zinc/04/88/50/333048850.db2.gz YEPPKHHTOORFPM-FOIQADDNSA-N 1 2 290.432 3.864 10 0 CHAELO CCCOc1cccc(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000220910540 333170668 /nfs/dbraw/zinc/17/06/68/333170668.db2.gz DMPPOXFFWAQBEL-CYBMUJFWSA-N 1 2 274.364 3.623 10 0 CHAELO CCCc1nc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)no1 ZINC000183216442 335879857 /nfs/dbraw/zinc/87/98/57/335879857.db2.gz SEWVQLYZDSIGCF-KRWDZBQOSA-N 1 2 299.418 3.825 10 0 CHAELO CC(C)N(C)c1ccc([NH2+]CC2CCOCC2)cc1F ZINC000052176234 519633955 /nfs/dbraw/zinc/63/39/55/519633955.db2.gz VNLXWZQQMVBQTL-UHFFFAOYSA-N 1 2 280.387 3.509 10 0 CHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2cccs2)no1 ZINC000127878253 519867105 /nfs/dbraw/zinc/86/71/05/519867105.db2.gz XETPMJBUMJNEKL-LBPRGKRZSA-N 1 2 277.393 3.592 10 0 CHAELO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2cccs2)no1 ZINC000127878253 519867107 /nfs/dbraw/zinc/86/71/07/519867107.db2.gz XETPMJBUMJNEKL-LBPRGKRZSA-N 1 2 277.393 3.592 10 0 CHAELO CCCNc1[nH+]cccc1CO[C@H]1CCCC[C@@H]1C ZINC000052754788 520195686 /nfs/dbraw/zinc/19/56/86/520195686.db2.gz LNOHJNBVRXALKG-ZFWWWQNUSA-N 1 2 262.397 3.999 10 0 CHAELO CCNc1ccc(CO[C@@H]2CCCC[C@H]2CC)c[nH+]1 ZINC000050831465 520303386 /nfs/dbraw/zinc/30/33/86/520303386.db2.gz JJRBPWPLOYGWMB-HUUCEWRRSA-N 1 2 262.397 3.999 10 0 CHAELO CCNc1ccc(CO[C@H]2CCCC[C@H]2CC)c[nH+]1 ZINC000050831463 520304617 /nfs/dbraw/zinc/30/46/17/520304617.db2.gz JJRBPWPLOYGWMB-CABCVRRESA-N 1 2 262.397 3.999 10 0 CHAELO CCNc1nc(Cc2ccc(Cl)cc2)[nH+]c(C)c1C ZINC000050864197 520358013 /nfs/dbraw/zinc/35/80/13/520358013.db2.gz AFHJBXIHWQXEAE-UHFFFAOYSA-N 1 2 275.783 3.769 10 0 CHAELO CCc1nc(C2([NH2+]Cc3cccc(CC)c3)CCCC2)no1 ZINC000189474046 522245014 /nfs/dbraw/zinc/24/50/14/522245014.db2.gz GYWDQVVCVLGAQH-UHFFFAOYSA-N 1 2 299.418 3.754 10 0 CHAELO CNc1nc(-c2ccc(C(C)C)cc2)[nH+]c(C)c1C ZINC000050864107 522675285 /nfs/dbraw/zinc/67/52/85/522675285.db2.gz PNQOZPPIVKKRNL-UHFFFAOYSA-N 1 2 255.365 3.926 10 0 CHAELO CNc1[nH+]cccc1COc1cc(C)cc(C)c1C ZINC000052755288 522709150 /nfs/dbraw/zinc/70/91/50/522709150.db2.gz ITOUQUMLNOCKRA-UHFFFAOYSA-N 1 2 256.349 3.628 10 0 CHAELO CNc1[nH+]cccc1CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052755065 522709917 /nfs/dbraw/zinc/70/99/17/522709917.db2.gz DLSWNPWHETVVRY-TZMCWYRMSA-N 1 2 262.397 3.855 10 0 CHAELO Cc1cc(C[NH2+][C@H](C)c2ccccc2Br)no1 ZINC000044296258 524778112 /nfs/dbraw/zinc/77/81/12/524778112.db2.gz LRUMYSUUFZABKH-SNVBAGLBSA-N 1 2 295.180 3.596 10 0 CHAELO Fc1cccc(Cl)c1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000048409076 567892709 /nfs/dbraw/zinc/89/27/09/567892709.db2.gz QEHNHWDOGIAOOA-UHFFFAOYSA-N 1 2 289.741 3.645 10 0 CHAELO Clc1sccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000373690247 1119993660 /nfs/dbraw/zinc/99/36/60/1119993660.db2.gz RPOXTPLHXVZHNV-UHFFFAOYSA-N 1 2 293.823 3.877 10 0 CHAELO Brc1ccc2[nH+]cc(-c3ccccc3)n2c1 ZINC000082694825 178190055 /nfs/dbraw/zinc/19/00/55/178190055.db2.gz DXSBISVNFDTTFY-UHFFFAOYSA-N 1 2 273.133 3.764 10 0 CHAELO Nc1cc(F)cc2c1cc[nH+]c2NCc1ccccc1 ZINC000082754171 178278383 /nfs/dbraw/zinc/27/83/83/178278383.db2.gz MNWVWQAXEYNBFK-UHFFFAOYSA-N 1 2 267.307 3.568 10 0 CHAELO Brc1ccc(-c2c[nH+]c3ccccn32)cc1 ZINC000091691889 180228247 /nfs/dbraw/zinc/22/82/47/180228247.db2.gz MZKVSKQKHUIURD-UHFFFAOYSA-N 1 2 273.133 3.764 10 0 CHAELO CCCn1c2ccccc2[nH+]c1CCc1ccccc1N ZINC000020980528 171282663 /nfs/dbraw/zinc/28/26/63/171282663.db2.gz RFYQCDBGPKDHRL-UHFFFAOYSA-N 1 2 279.387 3.814 10 0 CHAELO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1ccccc1Cl ZINC000034989143 171915832 /nfs/dbraw/zinc/91/58/32/171915832.db2.gz JJZFDWHHESUGSI-RYUDHWBXSA-N 1 2 265.784 3.786 10 0 CHAELO Nc1ccc2[nH+]c(NCCc3cccs3)ccc2c1 ZINC000035343378 172135094 /nfs/dbraw/zinc/13/50/94/172135094.db2.gz WQQJCKSHUIIVQP-UHFFFAOYSA-N 1 2 269.373 3.533 10 0 CHAELO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccco1 ZINC000035738795 172392329 /nfs/dbraw/zinc/39/23/29/172392329.db2.gz TWDKACNBCZRFAJ-NEPJUHHUSA-N 1 2 269.348 3.578 10 0 CHAELO Cc1c(Cl)cccc1-n1c(N)[nH+]c2c1cccc2F ZINC000037421413 173198465 /nfs/dbraw/zinc/19/84/65/173198465.db2.gz BZEGSGONXMYRMN-UHFFFAOYSA-N 1 2 275.714 3.709 10 0 CHAELO CCOC(=O)[C@@](CC)([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000037968012 173915260 /nfs/dbraw/zinc/91/52/60/173915260.db2.gz NTDTVYBXBOLSOS-INIZCTEOSA-N 1 2 295.810 3.508 10 0 CHAELO CCc1ccc(OCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000040224654 174208084 /nfs/dbraw/zinc/20/80/84/174208084.db2.gz ZGDHUEBHOQKPHF-UHFFFAOYSA-N 1 2 280.371 3.986 10 0 CHAELO COc1cccc(OCCCn2c(C)[nH+]c3ccccc32)c1 ZINC000040224683 174208179 /nfs/dbraw/zinc/20/81/79/174208179.db2.gz DYCVVIZWLPCORZ-UHFFFAOYSA-N 1 2 296.370 3.822 10 0 CHAELO Cc1cc2[nH+]c(CCCO)n(CCC(C)C)c2cc1C ZINC000040310925 174230470 /nfs/dbraw/zinc/23/04/70/174230470.db2.gz XLVLOEHIFJIVGM-UHFFFAOYSA-N 1 2 274.408 3.624 10 0 CHAELO CCOCCn1c2cc(Cl)ccc2[nH+]c1C1CC1 ZINC000040405096 174253965 /nfs/dbraw/zinc/25/39/65/174253965.db2.gz UXRZUACBADCWGA-UHFFFAOYSA-N 1 2 264.756 3.604 10 0 CHAELO COc1cccc(Nc2nc(NC3CCCC3)cc(C)[nH+]2)c1 ZINC000045167527 175319553 /nfs/dbraw/zinc/31/95/53/175319553.db2.gz KBGFYYOIPOOUPG-UHFFFAOYSA-N 1 2 298.390 3.892 10 0 CHAELO Cc1cccc(C[C@@H](C)Nc2nccc(C3CCCC3)n2)[nH+]1 ZINC000071750260 176259724 /nfs/dbraw/zinc/25/97/24/176259724.db2.gz NSVRCEUQVRPVHQ-CQSZACIVSA-N 1 2 296.418 3.881 10 0 CHAELO CCc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1 ZINC000105607494 261311872 /nfs/dbraw/zinc/31/18/72/261311872.db2.gz GTTWZUBYOJSBDP-LBPRGKRZSA-N 1 2 297.358 3.743 10 0 CHAELO c1csc([C@H]2CCCCN2Cc2cccc3[nH+]ccn32)n1 ZINC000179964358 261828606 /nfs/dbraw/zinc/82/86/06/261828606.db2.gz FQQRZMAHPLWHNL-CQSZACIVSA-N 1 2 298.415 3.518 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(F)ccc2Cl)o1 ZINC000218974409 329138300 /nfs/dbraw/zinc/13/83/00/329138300.db2.gz QAFZARKPNMNJNJ-SECBINFHSA-N 1 2 268.719 3.626 10 0 CHAELO CCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914164 329151005 /nfs/dbraw/zinc/15/10/05/329151005.db2.gz DXPLNSKSYDPWDY-GJZGRUSLSA-N 1 2 299.418 3.876 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)o1 ZINC000219483657 329164261 /nfs/dbraw/zinc/16/42/61/329164261.db2.gz YOPRLVQEJGLXRI-LLVKDONJSA-N 1 2 264.756 3.796 10 0 CHAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000181060313 329225630 /nfs/dbraw/zinc/22/56/30/329225630.db2.gz ZVWKUQCDPAVHLY-CYBMUJFWSA-N 1 2 293.370 3.896 10 0 CHAELO Fc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185876514 329333992 /nfs/dbraw/zinc/33/39/92/329333992.db2.gz KGXMSGMNWUIJBP-UHFFFAOYSA-N 1 2 293.345 3.573 10 0 CHAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)cs1 ZINC000189813304 329389243 /nfs/dbraw/zinc/38/92/43/329389243.db2.gz ZQYCYEIHPLKEHI-HNNXBMFYSA-N 1 2 276.380 3.928 10 0 CHAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2F)cs1 ZINC000189813304 329389244 /nfs/dbraw/zinc/38/92/44/329389244.db2.gz ZQYCYEIHPLKEHI-HNNXBMFYSA-N 1 2 276.380 3.928 10 0 CHAELO Cc1nc(N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc[nH+]1 ZINC000245422382 329698609 /nfs/dbraw/zinc/69/86/09/329698609.db2.gz POULYUDMYAOMIF-BZNIZROVSA-N 1 2 271.339 3.512 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)o1 ZINC000220898463 333170352 /nfs/dbraw/zinc/17/03/52/333170352.db2.gz IOIAFYDAXODRDF-JTQLQIEISA-N 1 2 284.281 3.853 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)cc2)o1 ZINC000220903104 333170580 /nfs/dbraw/zinc/17/05/80/333170580.db2.gz YPVNYXNPSBHGLS-CYBMUJFWSA-N 1 2 274.364 3.621 10 0 CHAELO Clc1csc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000194345835 333269573 /nfs/dbraw/zinc/26/95/73/333269573.db2.gz PNYPGUCGXIAZKD-QWHCGFSZSA-N 1 2 271.813 3.545 10 0 CHAELO Clc1csc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000194345835 333269574 /nfs/dbraw/zinc/26/95/74/333269574.db2.gz PNYPGUCGXIAZKD-QWHCGFSZSA-N 1 2 271.813 3.545 10 0 CHAELO Cc1nc(N[C@H]2CC[C@H](C)c3ccccc32)cc[nH+]1 ZINC000133841463 334063503 /nfs/dbraw/zinc/06/35/03/334063503.db2.gz VIBYQIWGLKNWHD-NHYWBVRUSA-N 1 2 253.349 3.836 10 0 CHAELO CCN(Cc1[nH+]ccn1CC)c1cc(C)ccc1C ZINC000076292692 334078493 /nfs/dbraw/zinc/07/84/93/334078493.db2.gz OTNDTDKVQYLNSM-UHFFFAOYSA-N 1 2 257.381 3.546 10 0 CHAELO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275534204 533925712 /nfs/dbraw/zinc/92/57/12/533925712.db2.gz MCQXSZCDRHDXRQ-MRXNPFEDSA-N 1 2 285.391 3.527 10 0 CHAELO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275534204 533925716 /nfs/dbraw/zinc/92/57/16/533925716.db2.gz MCQXSZCDRHDXRQ-MRXNPFEDSA-N 1 2 285.391 3.527 10 0 CHAELO CC1(C)C[C@H]([NH2+]Cc2cscn2)c2ccccc2O1 ZINC000126886225 520555367 /nfs/dbraw/zinc/55/53/67/520555367.db2.gz ZYNCLJDAHHZRDV-ZDUSSCGKSA-N 1 2 274.389 3.535 10 0 CHAELO CCc1cc(OCc2ccc(NC)[nH+]c2)ccc1Cl ZINC000050832984 523840661 /nfs/dbraw/zinc/84/06/61/523840661.db2.gz VCRALKIXILCUTC-UHFFFAOYSA-N 1 2 276.767 3.918 10 0 CHAELO C[C@H](c1cccs1)[N@H+](C)Cc1nc(N)ccc1Cl ZINC000061638446 526152622 /nfs/dbraw/zinc/15/26/22/526152622.db2.gz YRQJMDYJCRTKJL-SECBINFHSA-N 1 2 281.812 3.572 10 0 CHAELO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(N)ccc1Cl ZINC000061638446 526152632 /nfs/dbraw/zinc/15/26/32/526152632.db2.gz YRQJMDYJCRTKJL-SECBINFHSA-N 1 2 281.812 3.572 10 0 CHAELO Cc1nc(C)c([C@@H](C)Nc2ccc([NH3+])cc2C)s1 ZINC000049533724 526747701 /nfs/dbraw/zinc/74/77/01/526747701.db2.gz WZBVKFRCWQFGFB-SNVBAGLBSA-N 1 2 261.394 3.824 10 0 CHAELO Cc1[nH]c(CNc2ccccc2SC(F)(F)F)c[nH+]1 ZINC000054821702 526900673 /nfs/dbraw/zinc/90/06/73/526900673.db2.gz MXKAUTYUMGRSNS-UHFFFAOYSA-N 1 2 287.310 3.942 10 0 CHAELO Cc1[nH]cc(CNc2ccccc2SC(F)(F)F)[nH+]1 ZINC000054821702 526900678 /nfs/dbraw/zinc/90/06/78/526900678.db2.gz MXKAUTYUMGRSNS-UHFFFAOYSA-N 1 2 287.310 3.942 10 0 CHAELO Cc1[nH+]c(Cc2ccc(Cl)c(Cl)c2)nc(N)c1C ZINC000050847431 526928000 /nfs/dbraw/zinc/92/80/00/526928000.db2.gz NZNIYBZFVWVKCH-UHFFFAOYSA-N 1 2 282.174 3.573 10 0 CHAELO CCC[C@@H]1C[C@H]1Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000301418556 527867546 /nfs/dbraw/zinc/86/75/46/527867546.db2.gz DBNKEFCTRABAIL-UKRRQHHQSA-N 1 2 282.391 3.702 10 0 CHAELO C[C@@H]1CCc2[nH+]c(-c3ccc(Cl)s3)cn2C1 ZINC000258249369 567931051 /nfs/dbraw/zinc/93/10/51/567931051.db2.gz HOPLRZVJWLSPCZ-MRVPVSSYSA-N 1 2 252.770 3.847 10 0 CHAELO Nc1c[nH+]c2c(Oc3ccccc3)ccc(Cl)c2c1N ZINC000584882801 570229418 /nfs/dbraw/zinc/22/94/18/570229418.db2.gz SMOAUIJSHOJADM-UHFFFAOYSA-N 1 2 285.734 3.675 10 0 CHAELO C[NH+](C)c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000182489817 1125289640 /nfs/dbraw/zinc/28/96/40/1125289640.db2.gz FJZCGUAKGBEMHZ-ZACQAIPSSA-N 1 2 286.419 3.512 10 0 CHAELO CN(C)c1ccc([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000182489817 1125289643 /nfs/dbraw/zinc/28/96/43/1125289643.db2.gz FJZCGUAKGBEMHZ-ZACQAIPSSA-N 1 2 286.419 3.512 10 0 CHAELO Cc1cc(C[N@@H+]2CCC[C@H](c3cc(F)ccc3F)C2)no1 ZINC000191681162 1125326757 /nfs/dbraw/zinc/32/67/57/1125326757.db2.gz ZSPMRGALHBNEOW-LBPRGKRZSA-N 1 2 292.329 3.641 10 0 CHAELO Cc1cc(C[N@H+]2CCC[C@H](c3cc(F)ccc3F)C2)no1 ZINC000191681162 1125326761 /nfs/dbraw/zinc/32/67/61/1125326761.db2.gz ZSPMRGALHBNEOW-LBPRGKRZSA-N 1 2 292.329 3.641 10 0 CHAELO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)Cc1ccsc1 ZINC000102675778 1125327784 /nfs/dbraw/zinc/32/77/84/1125327784.db2.gz DHXAIWIQCBEPPP-LBPRGKRZSA-N 1 2 299.399 3.991 10 0 CHAELO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)Cc1ccsc1 ZINC000102675778 1125327786 /nfs/dbraw/zinc/32/77/86/1125327786.db2.gz DHXAIWIQCBEPPP-LBPRGKRZSA-N 1 2 299.399 3.991 10 0 CHAELO COc1ccc([C@@H]2CC(=O)CC[N@@H+]2Cc2ccccc2)cc1 ZINC000021987418 171345752 /nfs/dbraw/zinc/34/57/52/171345752.db2.gz GUWWSVMOVFBYII-IBGZPJMESA-N 1 2 295.382 3.601 10 0 CHAELO COc1ccc([C@@H]2CC(=O)CC[N@H+]2Cc2ccccc2)cc1 ZINC000021987418 171345754 /nfs/dbraw/zinc/34/57/54/171345754.db2.gz GUWWSVMOVFBYII-IBGZPJMESA-N 1 2 295.382 3.601 10 0 CHAELO Cc1cccn2cc(CSc3ccc(N)cc3)[nH+]c12 ZINC000037181875 173014629 /nfs/dbraw/zinc/01/46/29/173014629.db2.gz QLYZFQNSQNYKGU-UHFFFAOYSA-N 1 2 269.373 3.517 10 0 CHAELO CC[C@H](C)[NH2+][C@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067029 174078531 /nfs/dbraw/zinc/07/85/31/174078531.db2.gz UMEKYCFCHRICDJ-NHYWBVRUSA-N 1 2 283.799 3.506 10 0 CHAELO Cc1cccc(Cn2c3cc(C)c(C)cc3[nH+]c2CCO)c1 ZINC000040310676 174230133 /nfs/dbraw/zinc/23/01/33/174230133.db2.gz SHXFBGPFSSXOGU-UHFFFAOYSA-N 1 2 294.398 3.545 10 0 CHAELO CCc1ccccc1Nc1[nH+]cnc(NC(C)(C)C)c1N ZINC000040680375 174374596 /nfs/dbraw/zinc/37/45/96/174374596.db2.gz ZEBOKLGPEGCLHU-UHFFFAOYSA-N 1 2 285.395 3.575 10 0 CHAELO Cc1ccc(Nc2[nH+]cnc(NC(C)(C)C)c2N)c(C)c1 ZINC000040680519 174374632 /nfs/dbraw/zinc/37/46/32/174374632.db2.gz QILHHFDTMRJZMW-UHFFFAOYSA-N 1 2 285.395 3.630 10 0 CHAELO CCn1cc[nH+]c1CSC/C=C/c1ccccc1 ZINC000083631759 260353988 /nfs/dbraw/zinc/35/39/88/260353988.db2.gz AMGZEECNOOXYNU-RMKNXTFCSA-N 1 2 258.390 3.850 10 0 CHAELO CCn1cc[nH+]c1CSCc1cc(-c2ccco2)on1 ZINC000175295241 261216738 /nfs/dbraw/zinc/21/67/38/261216738.db2.gz ZBCKEWIWJJAQIC-UHFFFAOYSA-N 1 2 289.360 3.584 10 0 CHAELO CCn1cc[nH+]c1CSCc1cc(C)ccc1C ZINC000106588708 261855244 /nfs/dbraw/zinc/85/52/44/261855244.db2.gz CDEMFLAALVGRPZ-UHFFFAOYSA-N 1 2 260.406 3.953 10 0 CHAELO Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2C)c(C)[nH+]1 ZINC000152270094 328083594 /nfs/dbraw/zinc/08/35/94/328083594.db2.gz MRPPAWGXLBQMFP-ZDUSSCGKSA-N 1 2 283.375 3.890 10 0 CHAELO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049368071 328355738 /nfs/dbraw/zinc/35/57/38/328355738.db2.gz IZTBZNZNHWEKDS-STQMWFEESA-N 1 2 277.408 3.586 10 0 CHAELO Cc1ccc(C)c(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000049670189 328375914 /nfs/dbraw/zinc/37/59/14/328375914.db2.gz YLYNHZGARPNJRZ-UHFFFAOYSA-N 1 2 281.403 3.911 10 0 CHAELO Clc1ncc(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000175446467 329168597 /nfs/dbraw/zinc/16/85/97/329168597.db2.gz VJNRTKJDRMYATL-JTQLQIEISA-N 1 2 268.769 3.727 10 0 CHAELO Clc1ncc(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000175446467 329168599 /nfs/dbraw/zinc/16/85/99/329168599.db2.gz VJNRTKJDRMYATL-JTQLQIEISA-N 1 2 268.769 3.727 10 0 CHAELO CC(C)n1cc[nH+]c1CN(CC1CC1)c1ccccc1 ZINC000177174321 329181488 /nfs/dbraw/zinc/18/14/88/329181488.db2.gz NKXXJTGVQYAUFO-UHFFFAOYSA-N 1 2 269.392 3.881 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(Cl)c2F)o1 ZINC000220949178 329204131 /nfs/dbraw/zinc/20/41/31/329204131.db2.gz NACLQTXJGUTQSJ-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000181060721 329225373 /nfs/dbraw/zinc/22/53/73/329225373.db2.gz RCKXEOVHDRTBMU-ZETCQYMHSA-N 1 2 286.162 3.536 10 0 CHAELO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1cccs1 ZINC000182545178 329242899 /nfs/dbraw/zinc/24/28/99/329242899.db2.gz VBKVHWJHYDHDHE-VIFPVBQESA-N 1 2 291.401 3.710 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(F)c2Cl)o1 ZINC000230645716 329367869 /nfs/dbraw/zinc/36/78/69/329367869.db2.gz VKUFHIFGRYYGOI-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO Fc1ccc(Cl)c(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000188925125 329373473 /nfs/dbraw/zinc/37/34/73/329373473.db2.gz PDCKWBDVVHUIKG-UHFFFAOYSA-N 1 2 293.773 3.582 10 0 CHAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)cs1 ZINC000189770719 329386923 /nfs/dbraw/zinc/38/69/23/329386923.db2.gz YXELXRZCTPINJH-AWEZNQCLSA-N 1 2 299.399 3.930 10 0 CHAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)cs1 ZINC000189770719 329386924 /nfs/dbraw/zinc/38/69/24/329386924.db2.gz YXELXRZCTPINJH-AWEZNQCLSA-N 1 2 299.399 3.930 10 0 CHAELO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2csc(C)n2)n1 ZINC000080270269 330116286 /nfs/dbraw/zinc/11/62/86/330116286.db2.gz NQHQFCZNHAIVOB-DTWKUNHWSA-N 1 2 267.423 3.628 10 0 CHAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)o1 ZINC000220889970 333170411 /nfs/dbraw/zinc/17/04/11/333170411.db2.gz RKTDATSZWZCJII-ZJUUUORDSA-N 1 2 266.291 3.673 10 0 CHAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)o1 ZINC000220905792 333170494 /nfs/dbraw/zinc/17/04/94/333170494.db2.gz CRLZKWOXXFNDRW-UWVGGRQHSA-N 1 2 266.291 3.673 10 0 CHAELO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000220927586 333170809 /nfs/dbraw/zinc/17/08/09/333170809.db2.gz XIJAMVHSWFUUGS-QWHCGFSZSA-N 1 2 274.364 3.794 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C(C)C)cc2)o1 ZINC000220920253 333170962 /nfs/dbraw/zinc/17/09/62/333170962.db2.gz HWFSDIRAJVITOS-ZDUSSCGKSA-N 1 2 258.365 3.957 10 0 CHAELO Cc1cnc([C@H](C)Nc2ccc3ccccc3[nH+]2)o1 ZINC000235553191 333370691 /nfs/dbraw/zinc/37/06/91/333370691.db2.gz CLJSQQWBFGFLQK-NSHDSACASA-N 1 2 253.305 3.704 10 0 CHAELO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000036980927 333448829 /nfs/dbraw/zinc/44/88/29/333448829.db2.gz QJGIAJZHCVEMFA-HOCLYGCPSA-N 1 2 277.408 3.542 10 0 CHAELO Cc1nc(N[C@@H]2CC[C@H](C)c3ccccc32)cc[nH+]1 ZINC000133841264 334063480 /nfs/dbraw/zinc/06/34/80/334063480.db2.gz VIBYQIWGLKNWHD-XHDPSFHLSA-N 1 2 253.349 3.836 10 0 CHAELO CCn1cc[nH+]c1CN(C)c1cccc2ccccc21 ZINC000076292829 334078656 /nfs/dbraw/zinc/07/86/56/334078656.db2.gz CYFORFLXAZCSKU-UHFFFAOYSA-N 1 2 265.360 3.693 10 0 CHAELO CCNc1cc(C)[nH+]c(-c2cccc(Br)c2)n1 ZINC000050848785 520269380 /nfs/dbraw/zinc/26/93/80/520269380.db2.gz GGXGTTXQHRGKMG-UHFFFAOYSA-N 1 2 292.180 3.646 10 0 CHAELO CCCNc1ccc(CO[C@@H](C)CC(C)C)c[nH+]1 ZINC000050832021 520160415 /nfs/dbraw/zinc/16/04/15/520160415.db2.gz JXTSHGLRUSHXOF-ZDUSSCGKSA-N 1 2 250.386 3.855 10 0 CHAELO CCNc1cc(CC)[nH+]c(Cc2cccc(Cl)c2)n1 ZINC000050851192 520268966 /nfs/dbraw/zinc/26/89/66/520268966.db2.gz PJINRVGVOVTVCT-UHFFFAOYSA-N 1 2 275.783 3.715 10 0 CHAELO CCCCOC(=O)C[NH2+][C@@H](CCC)c1cccs1 ZINC000049544402 520712943 /nfs/dbraw/zinc/71/29/43/520712943.db2.gz IXBPLYLEPUKZER-LBPRGKRZSA-N 1 2 269.410 3.522 10 0 CHAELO CCCc1cc(NC)nc(Cc2cccc(Cl)c2)[nH+]1 ZINC000050849927 521378552 /nfs/dbraw/zinc/37/85/52/521378552.db2.gz JUVALBAOEUDFSR-UHFFFAOYSA-N 1 2 275.783 3.715 10 0 CHAELO CNc1cc(COc2ccc(C(C)C)cc2)cc[nH+]1 ZINC000052734417 522568112 /nfs/dbraw/zinc/56/81/12/522568112.db2.gz QTBGZWZJDKTYCQ-UHFFFAOYSA-N 1 2 256.349 3.826 10 0 CHAELO Cc1ccc(CCc2[nH]c3cc(F)c(F)cc3[nH+]2)cc1 ZINC000055306049 524351534 /nfs/dbraw/zinc/35/15/34/524351534.db2.gz CWVQCPHCUNMSSU-UHFFFAOYSA-N 1 2 272.298 3.935 10 0 CHAELO c1cc(N2CCCCC2)ccc1[NH2+]CC1CCOCC1 ZINC000060393425 526431133 /nfs/dbraw/zinc/43/11/33/526431133.db2.gz YOJSCOBIYAFKHT-UHFFFAOYSA-N 1 2 274.408 3.515 10 0 CHAELO CC(C)n1cc[nH+]c1CSc1ccc(N)cc1Cl ZINC000347735881 528607059 /nfs/dbraw/zinc/60/70/59/528607059.db2.gz KCLZMOURNIKCSU-UHFFFAOYSA-N 1 2 281.812 3.992 10 0 CHAELO CCc1ccc([C@@H](C)[NH2+]Cc2nc(C)c(C)o2)cc1 ZINC000038012755 567890398 /nfs/dbraw/zinc/89/03/98/567890398.db2.gz DBVBSLDCXYWWGI-GFCCVEGCSA-N 1 2 258.365 3.705 10 0 CHAELO CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353478 567894983 /nfs/dbraw/zinc/89/49/83/567894983.db2.gz UACOWAKHXXFRTL-QGZVFWFLSA-N 1 2 299.462 3.796 10 0 CHAELO CCNc1c(N)c[nH+]c2c(Cl)c(Cl)ccc12 ZINC000584882591 570229409 /nfs/dbraw/zinc/22/94/09/570229409.db2.gz LHMYYGOYDDFKDA-UHFFFAOYSA-N 1 2 256.136 3.556 10 0 CHAELO Cc1occc1C[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101727002 1125410007 /nfs/dbraw/zinc/41/00/07/1125410007.db2.gz DSQQYYMPUTUKMF-LBPRGKRZSA-N 1 2 297.358 3.831 10 0 CHAELO Cc1occc1C[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101727002 1125410008 /nfs/dbraw/zinc/41/00/08/1125410008.db2.gz DSQQYYMPUTUKMF-LBPRGKRZSA-N 1 2 297.358 3.831 10 0 CHAELO Cc1cc(Br)c2[nH+]c(C(C)C)cn2c1 ZINC000082556193 178092504 /nfs/dbraw/zinc/09/25/04/178092504.db2.gz DOCNIMWGPWEUQN-UHFFFAOYSA-N 1 2 253.143 3.529 10 0 CHAELO Fc1ccc([C@@H](Nc2cccc[nH+]2)c2ccncc2)cc1 ZINC000082712609 178225425 /nfs/dbraw/zinc/22/54/25/178225425.db2.gz DSRDKEASWUPQTM-QGZVFWFLSA-N 1 2 279.318 3.817 10 0 CHAELO Fc1ccc([C@H](Nc2cccc[nH+]2)c2ccncc2)cc1 ZINC000082712608 178225454 /nfs/dbraw/zinc/22/54/54/178225454.db2.gz DSRDKEASWUPQTM-KRWDZBQOSA-N 1 2 279.318 3.817 10 0 CHAELO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1nc2ccccc2n1C ZINC000035738796 172392851 /nfs/dbraw/zinc/39/28/51/172392851.db2.gz TWDKACNBCZRFAJ-NWDGAFQWSA-N 1 2 269.348 3.578 10 0 CHAELO CC(C)(c1[nH]c[nH+]c1-c1ccc(F)cc1)c1ccncc1 ZINC000039134179 174164346 /nfs/dbraw/zinc/16/43/46/174164346.db2.gz OQEKQUVSTNLAII-UHFFFAOYSA-N 1 2 281.334 3.937 10 0 CHAELO OCCn1c2cc(Cl)ccc2[nH+]c1C1CCCCC1 ZINC000040401032 174253172 /nfs/dbraw/zinc/25/31/72/174253172.db2.gz DUXGTSMFCXAOFX-UHFFFAOYSA-N 1 2 278.783 3.730 10 0 CHAELO CCc1[nH+]c2cc(C(F)(F)F)ccc2n1CCCOC ZINC000040402582 174253673 /nfs/dbraw/zinc/25/36/73/174253673.db2.gz WMXRBMUPFIKVHU-UHFFFAOYSA-N 1 2 286.297 3.654 10 0 CHAELO CCNc1[nH+]cnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703948 174379134 /nfs/dbraw/zinc/37/91/34/174379134.db2.gz HSXMYQRUFFCYHL-UHFFFAOYSA-N 1 2 298.177 3.541 10 0 CHAELO CCNc1nc[nH+]c(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703948 174379135 /nfs/dbraw/zinc/37/91/35/174379135.db2.gz HSXMYQRUFFCYHL-UHFFFAOYSA-N 1 2 298.177 3.541 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccccn3)n2)o1 ZINC000035054630 260006873 /nfs/dbraw/zinc/00/68/73/260006873.db2.gz UCOLBJYNPUQNBB-GFCCVEGCSA-N 1 2 299.399 3.957 10 0 CHAELO COc1ccc(OC)c([C@@H](C)Nc2ccc[nH+]c2C)c1 ZINC000091495943 260266459 /nfs/dbraw/zinc/26/64/59/260266459.db2.gz YYVUCWYCLGKSHE-LLVKDONJSA-N 1 2 272.348 3.580 10 0 CHAELO CCn1cc[nH+]c1CNc1ccccc1C(C)(C)C ZINC000051921870 260974856 /nfs/dbraw/zinc/97/48/56/260974856.db2.gz LCLZKBFVRMOWIA-UHFFFAOYSA-N 1 2 257.381 3.813 10 0 CHAELO CC(C)n1cc[nH+]c1CSCCOc1cccc(F)c1 ZINC000175285777 261217852 /nfs/dbraw/zinc/21/78/52/261217852.db2.gz IHIFGYJTWGWNBL-UHFFFAOYSA-N 1 2 294.395 3.915 10 0 CHAELO CCC1(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000177486621 261358691 /nfs/dbraw/zinc/35/86/91/261358691.db2.gz OJOJIQIYQZOYDF-CQSZACIVSA-N 1 2 297.402 3.630 10 0 CHAELO CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000185421638 327840030 /nfs/dbraw/zinc/84/00/30/327840030.db2.gz PYVLNJKHQJTXJW-CABCVRRESA-N 1 2 299.418 3.732 10 0 CHAELO COCc1cc([C@H](C)Nc2ccc[nH+]c2C)ccc1OC ZINC000091495458 327102613 /nfs/dbraw/zinc/10/26/13/327102613.db2.gz BDBSLBGPRXJXME-LBPRGKRZSA-N 1 2 286.375 3.718 10 0 CHAELO CCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914154 329151015 /nfs/dbraw/zinc/15/10/15/329151015.db2.gz DXPLNSKSYDPWDY-CABCVRRESA-N 1 2 299.418 3.876 10 0 CHAELO O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCn2cc[nH+]c21 ZINC000175918618 329171133 /nfs/dbraw/zinc/17/11/33/329171133.db2.gz SDOUEJVSQVYKHJ-MRXNPFEDSA-N 1 2 291.354 3.552 10 0 CHAELO CCCC(CCC)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000177109229 329180976 /nfs/dbraw/zinc/18/09/76/329180976.db2.gz OGBPPPYUJCSCOU-GOSISDBHSA-N 1 2 270.442 3.682 10 0 CHAELO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000182863098 329245650 /nfs/dbraw/zinc/24/56/50/329245650.db2.gz MWUCBZPHUZNMCO-QWHCGFSZSA-N 1 2 294.358 3.543 10 0 CHAELO Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc[nH+]cc1C)[C@H](C)C2 ZINC000184188569 329257100 /nfs/dbraw/zinc/25/71/00/329257100.db2.gz DDUGZSMMMZEAKS-SJKOYZFVSA-N 1 2 295.386 3.753 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(Cl)ccc2F)o1 ZINC000227555754 329327294 /nfs/dbraw/zinc/32/72/94/329327294.db2.gz SWUKMRLMQPDAQO-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccco1 ZINC000186049916 329336715 /nfs/dbraw/zinc/33/67/15/329336715.db2.gz QVQQYDZWAFPYPM-ZDUSSCGKSA-N 1 2 279.343 3.587 10 0 CHAELO CC[C@@H](c1ccccc1)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176844381 333048756 /nfs/dbraw/zinc/04/87/56/333048756.db2.gz YEPPKHHTOORFPM-YWZLYKJASA-N 1 2 290.432 3.864 10 0 CHAELO CC(C)n1cc[nH+]c1CN1c2ccccc2N(C)CC[C@@H]1C ZINC000176900610 333050203 /nfs/dbraw/zinc/05/02/03/333050203.db2.gz JABHLWGFGFDXDC-HNNXBMFYSA-N 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ZINC000035738794 172392608 /nfs/dbraw/zinc/39/26/08/172392608.db2.gz TWDKACNBCZRFAJ-RYUDHWBXSA-N 1 2 269.348 3.578 10 0 CHAELO c1cnn(-c2ccc([NH2+]CC3CCCCC3)cc2)c1 ZINC000036977786 172844628 /nfs/dbraw/zinc/84/46/28/172844628.db2.gz NAKVVRNBCLASLO-UHFFFAOYSA-N 1 2 255.365 3.865 10 0 CHAELO CCCn1c(C[NH2+][C@H](C)c2ccco2)nc2ccccc21 ZINC000038046772 174056067 /nfs/dbraw/zinc/05/60/67/174056067.db2.gz MYXRVWCJAWZSCN-CYBMUJFWSA-N 1 2 283.375 3.890 10 0 CHAELO CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1cccc(Cl)c1 ZINC000038067737 174079818 /nfs/dbraw/zinc/07/98/18/174079818.db2.gz XGUMBNNNKXBJOC-XHDPSFHLSA-N 1 2 283.799 3.506 10 0 CHAELO CCOc1ccccc1OCCn1c(C)[nH+]c2ccccc21 ZINC000040224644 174208256 /nfs/dbraw/zinc/20/82/56/174208256.db2.gz OUDKZWYMMCJBRJ-UHFFFAOYSA-N 1 2 296.370 3.822 10 0 CHAELO CCc1[nH+]c2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409795 174254659 /nfs/dbraw/zinc/25/46/59/174254659.db2.gz HAVOZDUHIAVILC-UHFFFAOYSA-N 1 2 260.724 3.893 10 0 CHAELO Cc1ccc(Nc2[nH+]cnc(NC(C)(C)C)c2N)cc1C 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ZINC000091024759 260265227 /nfs/dbraw/zinc/26/52/27/260265227.db2.gz GECWBUCHWVNGBG-UHFFFAOYSA-N 1 2 269.392 3.720 10 0 CHAELO Cc1[nH+]cccc1N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000091496095 260266333 /nfs/dbraw/zinc/26/63/33/260266333.db2.gz XKZPCVJIRSIGQB-GFCCVEGCSA-N 1 2 284.359 3.724 10 0 CHAELO COc1ccc([C@@H](C)Nc2ccc[nH+]c2C)c(OC)c1 ZINC000091495925 260266536 /nfs/dbraw/zinc/26/65/36/260266536.db2.gz AGVNGILPZFQXLG-LLVKDONJSA-N 1 2 272.348 3.580 10 0 CHAELO CCn1cc[nH+]c1CSCc1coc(-c2ccccc2)n1 ZINC000083632195 260353909 /nfs/dbraw/zinc/35/39/09/260353909.db2.gz DDHPLQYUJFRLKT-UHFFFAOYSA-N 1 2 299.399 3.991 10 0 CHAELO CC(C)n1cc[nH+]c1CN1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184794307 262029238 /nfs/dbraw/zinc/02/92/38/262029238.db2.gz KTLZBQMWWOHCAL-CYBMUJFWSA-N 1 2 295.386 3.544 10 0 CHAELO CCn1cc[nH+]c1CSCCOc1cccc(Cl)c1 ZINC000175272903 327664762 /nfs/dbraw/zinc/66/47/62/327664762.db2.gz RMGPEXWGSIEPTQ-UHFFFAOYSA-N 1 2 296.823 3.869 10 0 CHAELO CCn1cc[nH+]c1CNc1cccc(Cl)c1Cl ZINC000051921368 328636394 /nfs/dbraw/zinc/63/63/94/328636394.db2.gz NGPTZIAIXOLRIH-UHFFFAOYSA-N 1 2 270.163 3.822 10 0 CHAELO CC(C)c1nc(N[C@H]2CCOc3ccccc32)cc[nH+]1 ZINC000171811573 329080327 /nfs/dbraw/zinc/08/03/27/329080327.db2.gz MUERVVAINNONOY-ZDUSSCGKSA-N 1 2 269.348 3.536 10 0 CHAELO Clc1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000173759349 329148316 /nfs/dbraw/zinc/14/83/16/329148316.db2.gz ZHBFBGJRMOGHHC-GFCCVEGCSA-N 1 2 262.740 3.665 10 0 CHAELO Clc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000173759349 329148317 /nfs/dbraw/zinc/14/83/17/329148317.db2.gz ZHBFBGJRMOGHHC-GFCCVEGCSA-N 1 2 262.740 3.665 10 0 CHAELO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000175238701 329166875 /nfs/dbraw/zinc/16/68/75/329166875.db2.gz YTRATNFJZMDEAF-DGCLKSJQSA-N 1 2 292.404 3.781 10 0 CHAELO CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000175238701 329166876 /nfs/dbraw/zinc/16/68/76/329166876.db2.gz YTRATNFJZMDEAF-DGCLKSJQSA-N 1 2 292.404 3.781 10 0 CHAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547620 329198282 /nfs/dbraw/zinc/19/82/82/329198282.db2.gz MSAWIQXIHDMXHC-IAQYHMDHSA-N 1 2 298.415 3.615 10 0 CHAELO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1nccs1 ZINC000179422951 329208060 /nfs/dbraw/zinc/20/80/60/329208060.db2.gz WGSINSYBUDGCSD-BBRMVZONSA-N 1 2 295.411 3.978 10 0 CHAELO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000182863121 329245622 /nfs/dbraw/zinc/24/56/22/329245622.db2.gz MWUCBZPHUZNMCO-CHWSQXEVSA-N 1 2 294.358 3.543 10 0 CHAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccco1 ZINC000186049932 329336780 /nfs/dbraw/zinc/33/67/80/329336780.db2.gz QVQQYDZWAFPYPM-CYBMUJFWSA-N 1 2 279.343 3.587 10 0 CHAELO Cc1cc(C[NH2+][C@H](C)c2cccc(Br)c2)no1 ZINC000044692247 329593089 /nfs/dbraw/zinc/59/30/89/329593089.db2.gz RBNNHUPREAFKJW-SNVBAGLBSA-N 1 2 295.180 3.596 10 0 CHAELO c1csc([C@H]2CCCCN2Cc2cn3ccccc3[nH+]2)n1 ZINC000195440161 329692024 /nfs/dbraw/zinc/69/20/24/329692024.db2.gz DEYLCYHTQNQRCP-CQSZACIVSA-N 1 2 298.415 3.518 10 0 CHAELO Cc1cc[nH+]cc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129957 330489110 /nfs/dbraw/zinc/48/91/10/330489110.db2.gz MHZWTUYTGOHYPL-WDEREUQCSA-N 1 2 258.287 3.923 10 0 CHAELO Clc1ccsc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000194345790 333269639 /nfs/dbraw/zinc/26/96/39/333269639.db2.gz MJQXXEYYSFGSJN-RYUDHWBXSA-N 1 2 271.813 3.545 10 0 CHAELO Clc1ccsc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000194345790 333269640 /nfs/dbraw/zinc/26/96/40/333269640.db2.gz MJQXXEYYSFGSJN-RYUDHWBXSA-N 1 2 271.813 3.545 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2c(C)oc3ccccc32)o1 ZINC000231531050 333325766 /nfs/dbraw/zinc/32/57/66/333325766.db2.gz WYCDXLDZEZXSJT-LLVKDONJSA-N 1 2 270.332 3.888 10 0 CHAELO CC(C)(C)c1ccc(OCc2ccc(N)[nH+]c2)cc1 ZINC000050830820 519042078 /nfs/dbraw/zinc/04/20/78/519042078.db2.gz ZJJVNPQLDXNMBP-UHFFFAOYSA-N 1 2 256.349 3.540 10 0 CHAELO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2csnn2)cc1 ZINC000036954634 519444664 /nfs/dbraw/zinc/44/46/64/519444664.db2.gz KMFXCCCCSAJOMU-GFCCVEGCSA-N 1 2 275.421 3.587 10 0 CHAELO CCNc1ccc(COc2ccc(Cl)cc2)c[nH+]1 ZINC000050830907 520303231 /nfs/dbraw/zinc/30/32/31/520303231.db2.gz WDMFGDXFNUPKHP-UHFFFAOYSA-N 1 2 262.740 3.746 10 0 CHAELO CCNc1[nH+]cccc1COc1ccc(C)cc1C ZINC000052734398 520378030 /nfs/dbraw/zinc/37/80/30/520378030.db2.gz IFJVLXGNGMMEEH-UHFFFAOYSA-N 1 2 256.349 3.709 10 0 CHAELO CCCCOC(=O)C[NH2+][C@H](CCC)c1cccs1 ZINC000049544404 520713714 /nfs/dbraw/zinc/71/37/14/520713714.db2.gz IXBPLYLEPUKZER-GFCCVEGCSA-N 1 2 269.410 3.522 10 0 CHAELO CNc1ccc(COc2cc(C)cc(C)c2C)c[nH+]1 ZINC000050832722 522613311 /nfs/dbraw/zinc/61/33/11/522613311.db2.gz FTVBFPMZBMXRKL-UHFFFAOYSA-N 1 2 256.349 3.628 10 0 CHAELO CCc1c(C)[nH+]c(Cc2cccc(Cl)c2)nc1NC ZINC000050849352 523709734 /nfs/dbraw/zinc/70/97/34/523709734.db2.gz QNZUPIKPYPTHTA-UHFFFAOYSA-N 1 2 275.783 3.633 10 0 CHAELO CCc1cc(NC)nc(-c2cccc(Br)c2)[nH+]1 ZINC000050850917 523820119 /nfs/dbraw/zinc/82/01/19/523820119.db2.gz OFPZHTRFMQHNSI-UHFFFAOYSA-N 1 2 292.180 3.510 10 0 CHAELO C[C@H]1CCC[C@H](SCc2[nH]c3ccc(N)cc3[nH+]2)C1 ZINC000054689617 524212301 /nfs/dbraw/zinc/21/23/01/524212301.db2.gz QZSQQBPWYSWIFU-JQWIXIFHSA-N 1 2 275.421 3.957 10 0 CHAELO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)c1ccco1 ZINC000062015576 526111158 /nfs/dbraw/zinc/11/11/58/526111158.db2.gz ITDNZJOICYGKIN-LLVKDONJSA-N 1 2 277.751 3.809 10 0 CHAELO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)c1ccco1 ZINC000062015576 526111164 /nfs/dbraw/zinc/11/11/64/526111164.db2.gz ITDNZJOICYGKIN-LLVKDONJSA-N 1 2 277.751 3.809 10 0 CHAELO Cc1csc(CSCc2[nH+]ccn2C(C)C)n1 ZINC000126901943 526365583 /nfs/dbraw/zinc/36/55/83/526365583.db2.gz PWKGWQQDUOSGSJ-UHFFFAOYSA-N 1 2 267.423 3.662 10 0 CHAELO Clc1ccc(NCCCn2cc[nH+]c2)cc1Cl ZINC000049327727 526956486 /nfs/dbraw/zinc/95/64/86/526956486.db2.gz BNNLBYIFRZKHGE-UHFFFAOYSA-N 1 2 270.163 3.692 10 0 CHAELO Nc1ccc2c(c1)[nH+]cn2-c1cccc(C(F)(F)F)c1 ZINC000052852012 527509721 /nfs/dbraw/zinc/50/97/21/527509721.db2.gz BGUJUGTZXGNCBB-UHFFFAOYSA-N 1 2 277.249 3.627 10 0 CHAELO C[C@@H]1CCn2cc(-c3ccc(Br)s3)[nH+]c2C1 ZINC000258628896 567883502 /nfs/dbraw/zinc/88/35/02/567883502.db2.gz WHIIBICVZKGRSQ-MRVPVSSYSA-N 1 2 297.221 3.956 10 0 CHAELO CC[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1cccs1 ZINC000368606806 1118058542 /nfs/dbraw/zinc/05/85/42/1118058542.db2.gz FZIWBHUZSMQUDU-RYUDHWBXSA-N 1 2 261.394 3.590 10 0 CHAELO C[NH+](C)c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194156451 1125551182 /nfs/dbraw/zinc/55/11/82/1125551182.db2.gz FJZCGUAKGBEMHZ-BRWVUGGUSA-N 1 2 286.419 3.512 10 0 CHAELO CN(C)c1ccc([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194156451 1125551187 /nfs/dbraw/zinc/55/11/87/1125551187.db2.gz FJZCGUAKGBEMHZ-BRWVUGGUSA-N 1 2 286.419 3.512 10 0 CHAELO CC(=O)c1cc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000096944735 185134807 /nfs/dbraw/zinc/13/48/07/185134807.db2.gz OLBUGCBGYYAJCW-UHFFFAOYSA-N 1 2 271.385 3.509 10 0 CHAELO CC(=O)c1cc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000096944735 185134808 /nfs/dbraw/zinc/13/48/08/185134808.db2.gz OLBUGCBGYYAJCW-UHFFFAOYSA-N 1 2 271.385 3.509 10 0 CHAELO CCc1cc(N2CCCC[C@H]2c2ccc(C)o2)nc(C)[nH+]1 ZINC000302065498 529531093 /nfs/dbraw/zinc/53/10/93/529531093.db2.gz CRJHRCKDMXUCAP-HNNXBMFYSA-N 1 2 285.391 3.980 10 0 CHAELO [NH3+][C@H](c1cc2ccccc2o1)c1c(F)cccc1F ZINC000020369318 171167084 /nfs/dbraw/zinc/16/70/84/171167084.db2.gz ZVCGSMGJUXSOPI-OAHLLOKOSA-N 1 2 259.255 3.759 10 0 CHAELO Nc1c[nH+]ccc1Oc1cccc(Cl)c1Cl ZINC000020370828 171167410 /nfs/dbraw/zinc/16/74/10/171167410.db2.gz JTOFRQYEGXBAJJ-UHFFFAOYSA-N 1 2 255.104 3.763 10 0 CHAELO CCCC[NH+](CCCC)c1ccccc1C(N)=S ZINC000020485927 171225582 /nfs/dbraw/zinc/22/55/82/171225582.db2.gz BOYOKPGHUXHUBX-UHFFFAOYSA-N 1 2 264.438 3.727 10 0 CHAELO COc1ccc([C@H]2CC(=O)CC[N@@H+]2Cc2ccccc2)cc1 ZINC000021987420 171345532 /nfs/dbraw/zinc/34/55/32/171345532.db2.gz GUWWSVMOVFBYII-LJQANCHMSA-N 1 2 295.382 3.601 10 0 CHAELO COc1ccc([C@H]2CC(=O)CC[N@H+]2Cc2ccccc2)cc1 ZINC000021987420 171345533 /nfs/dbraw/zinc/34/55/33/171345533.db2.gz GUWWSVMOVFBYII-LJQANCHMSA-N 1 2 295.382 3.601 10 0 CHAELO CC[NH2+][C@H](c1ccco1)c1c(F)c(F)c(F)c(F)c1F ZINC000034775219 171866077 /nfs/dbraw/zinc/86/60/77/171866077.db2.gz PNVZVIZPEHWTPL-CYBMUJFWSA-N 1 2 291.219 3.674 10 0 CHAELO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)OC ZINC000035044522 171948386 /nfs/dbraw/zinc/94/83/86/171948386.db2.gz CMLVYFZSJPRRIU-CJNGLKHVSA-N 1 2 291.435 3.661 10 0 CHAELO COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(CC(C)C)cc1)C(C)C ZINC000035185714 172040047 /nfs/dbraw/zinc/04/00/47/172040047.db2.gz GPZMQFMHCOXDHW-PBHICJAKSA-N 1 2 291.435 3.733 10 0 CHAELO C[C@@H](Nc1ccc2cc(N)ccc2[nH+]1)c1ccco1 ZINC000035739166 172393045 /nfs/dbraw/zinc/39/30/45/172393045.db2.gz UCRQNDSEKWUFKU-SNVBAGLBSA-N 1 2 253.305 3.583 10 0 CHAELO CC(C)CC[C@@H](C)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000037040447 172910204 /nfs/dbraw/zinc/91/02/04/172910204.db2.gz CYFAVMQNDKJRAD-CYBMUJFWSA-N 1 2 258.369 3.504 10 0 CHAELO Nc1ccc(SCc2ccccc2C(F)(F)F)c[nH+]1 ZINC000037191996 173020765 /nfs/dbraw/zinc/02/07/65/173020765.db2.gz BBMJOPTWNPIQJT-UHFFFAOYSA-N 1 2 284.306 3.975 10 0 CHAELO CC[C@H](C)[NH2+][C@@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067031 174078428 /nfs/dbraw/zinc/07/84/28/174078428.db2.gz UMEKYCFCHRICDJ-XHDPSFHLSA-N 1 2 283.799 3.506 10 0 CHAELO c1cn(-c2cccc(N[C@H]3CCc4ccccc43)c2)c[nH+]1 ZINC000036940081 260054402 /nfs/dbraw/zinc/05/44/02/260054402.db2.gz WAYAZTQMGHACNU-SFHVURJKSA-N 1 2 275.355 3.972 10 0 CHAELO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nccs1 ZINC000080265313 260179183 /nfs/dbraw/zinc/17/91/83/260179183.db2.gz ADQMPPQOBIMWKL-VXGBXAGGSA-N 1 2 276.405 3.954 10 0 CHAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000090226106 260456966 /nfs/dbraw/zinc/45/69/66/260456966.db2.gz KVJYKRYLIYQZDV-BXUZGUMPSA-N 1 2 296.374 3.518 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(F)(F)F)cs2)o1 ZINC000157388749 261145566 /nfs/dbraw/zinc/14/55/66/261145566.db2.gz UFSYCTQOQYALPJ-MRVPVSSYSA-N 1 2 290.310 3.914 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+]Cc2csc(Cl)n2)o1 ZINC000289961650 328124632 /nfs/dbraw/zinc/12/46/32/328124632.db2.gz IPZRLNHLEKMDHK-MRVPVSSYSA-N 1 2 256.758 3.549 10 0 CHAELO CC(C)n1ccc(C[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000172193809 329082072 /nfs/dbraw/zinc/08/20/72/329082072.db2.gz UZVBWNAKJAVXQG-UHFFFAOYSA-N 1 2 287.432 3.815 10 0 CHAELO CC(C)n1ccc(C[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000172193809 329082073 /nfs/dbraw/zinc/08/20/73/329082073.db2.gz UZVBWNAKJAVXQG-UHFFFAOYSA-N 1 2 287.432 3.815 10 0 CHAELO C[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cccs1 ZINC000179957559 329214051 /nfs/dbraw/zinc/21/40/51/329214051.db2.gz ONSWFQGCULGRRZ-SECBINFHSA-N 1 2 291.401 3.710 10 0 CHAELO CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000183076415 329247078 /nfs/dbraw/zinc/24/70/78/329247078.db2.gz QRAGJTSZTHNWHS-CYBMUJFWSA-N 1 2 290.436 3.717 10 0 CHAELO CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000183076415 329247079 /nfs/dbraw/zinc/24/70/79/329247079.db2.gz QRAGJTSZTHNWHS-CYBMUJFWSA-N 1 2 290.436 3.717 10 0 CHAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000185823095 329329826 /nfs/dbraw/zinc/32/98/26/329329826.db2.gz JZFINCDOOKBIIU-HNNXBMFYSA-N 1 2 289.382 3.994 10 0 CHAELO Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185877829 329334123 /nfs/dbraw/zinc/33/41/23/329334123.db2.gz YDEXVMNHNXJXDS-UHFFFAOYSA-N 1 2 289.382 3.742 10 0 CHAELO Fc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)ccc1Br ZINC000533081559 330331649 /nfs/dbraw/zinc/33/16/49/330331649.db2.gz BHHNPQMXSBENTC-GXFFZTMASA-N 1 2 284.172 3.573 10 0 CHAELO Fc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)ccc1Br ZINC000533081559 330331650 /nfs/dbraw/zinc/33/16/50/330331650.db2.gz BHHNPQMXSBENTC-GXFFZTMASA-N 1 2 284.172 3.573 10 0 CHAELO Cc1noc(C)c1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000105839284 330329225 /nfs/dbraw/zinc/32/92/25/330329225.db2.gz ZFNADFVLGYPZBK-KRWDZBQOSA-N 1 2 282.343 3.764 10 0 CHAELO OC1(C2CC2)C[NH+](Cc2sc3ccccc3c2Cl)C1 ZINC000089678419 333102730 /nfs/dbraw/zinc/10/27/30/333102730.db2.gz YUYBUSRLMKLVDQ-UHFFFAOYSA-N 1 2 293.819 3.511 10 0 CHAELO CCn1cc[nH+]c1CSCc1csc(C2CC2)n1 ZINC000135263859 334122518 /nfs/dbraw/zinc/12/25/18/334122518.db2.gz OTPQGOXJJBYZBS-UHFFFAOYSA-N 1 2 279.434 3.670 10 0 CHAELO CC[C@@H]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000080433300 334171413 /nfs/dbraw/zinc/17/14/13/334171413.db2.gz XJMQNOHGKDIMTN-KGLIPLIRSA-N 1 2 259.397 3.672 10 0 CHAELO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248606471 334308305 /nfs/dbraw/zinc/30/83/05/334308305.db2.gz FWUIIHHFDNEISK-RDJZCZTQSA-N 1 2 299.370 3.639 10 0 CHAELO COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000248606471 334308306 /nfs/dbraw/zinc/30/83/06/334308306.db2.gz FWUIIHHFDNEISK-RDJZCZTQSA-N 1 2 299.370 3.639 10 0 CHAELO CCCNc1ccc(CO[C@H](C)CC(C)C)c[nH+]1 ZINC000050832022 520160043 /nfs/dbraw/zinc/16/00/43/520160043.db2.gz JXTSHGLRUSHXOF-CYBMUJFWSA-N 1 2 250.386 3.855 10 0 CHAELO CCCNc1[nH+]cccc1COc1ccc(F)cc1 ZINC000052734680 520195914 /nfs/dbraw/zinc/19/59/14/520195914.db2.gz JQXNFNUDDUFTEX-UHFFFAOYSA-N 1 2 260.312 3.622 10 0 CHAELO CCNc1cc(COc2ccc(Cl)cc2)cc[nH+]1 ZINC000052734595 520272887 /nfs/dbraw/zinc/27/28/87/520272887.db2.gz LHORZLSFAHJUOQ-UHFFFAOYSA-N 1 2 262.740 3.746 10 0 CHAELO CCCc1cc(N)nc(-c2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000050866666 521367036 /nfs/dbraw/zinc/36/70/36/521367036.db2.gz NXJKJRNUKHOLFH-UHFFFAOYSA-N 1 2 282.174 3.985 10 0 CHAELO CNc1cc(COc2cccc(C(C)C)c2)cc[nH+]1 ZINC000052734443 522567016 /nfs/dbraw/zinc/56/70/16/522567016.db2.gz OJBFNYANQIQYLM-UHFFFAOYSA-N 1 2 256.349 3.826 10 0 CHAELO CNc1nc(-c2cccc(F)c2)[nH+]c(C)c1C(C)C ZINC000061687406 522676173 /nfs/dbraw/zinc/67/61/73/522676173.db2.gz UXLVOYLSFYECHD-UHFFFAOYSA-N 1 2 259.328 3.756 10 0 CHAELO CC[C@H]([NH2+][C@@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000069150311 522684989 /nfs/dbraw/zinc/68/49/89/522684989.db2.gz YUCZZYCDOBFRSS-UONOGXRCSA-N 1 2 283.799 3.578 10 0 CHAELO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccc(F)c(F)c1 ZINC000079289499 525622663 /nfs/dbraw/zinc/62/26/63/525622663.db2.gz VXNCJHGPIUUBSJ-BDAKNGLRSA-N 1 2 293.317 3.637 10 0 CHAELO C[C@@H]1CCn2cc(-c3cccc(Br)c3)[nH+]c2C1 ZINC000258386946 567931006 /nfs/dbraw/zinc/93/10/06/567931006.db2.gz MZFUZJJXBJYQGN-SNVBAGLBSA-N 1 2 291.192 3.895 10 0 CHAELO Fc1ccc(F)c([C@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000191674522 1125326720 /nfs/dbraw/zinc/32/67/20/1125326720.db2.gz SSNHCXHTTNPBQS-NSHDSACASA-N 1 2 294.370 3.801 10 0 CHAELO Fc1ccc(F)c([C@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000191674522 1125326724 /nfs/dbraw/zinc/32/67/24/1125326724.db2.gz SSNHCXHTTNPBQS-NSHDSACASA-N 1 2 294.370 3.801 10 0 CHAELO C[N@@H+]1CCCC[C@H]1Oc1cccc(C(F)(F)F)c1 ZINC000095940650 185036747 /nfs/dbraw/zinc/03/67/47/185036747.db2.gz PZFWFQRWLOTEPA-GFCCVEGCSA-N 1 2 259.271 3.526 10 0 CHAELO C[N@H+]1CCCC[C@H]1Oc1cccc(C(F)(F)F)c1 ZINC000095940650 185036748 /nfs/dbraw/zinc/03/67/48/185036748.db2.gz PZFWFQRWLOTEPA-GFCCVEGCSA-N 1 2 259.271 3.526 10 0 CHAELO CCCCc1c2c([nH+]c3c1CCC[C@H]3O)CCCC2 ZINC000005499267 170104829 /nfs/dbraw/zinc/10/48/29/170104829.db2.gz KASONYUJHMHLCL-MRXNPFEDSA-N 1 2 259.393 3.673 10 0 CHAELO Nc1c[nH+]ccc1Oc1ccc(Cl)cc1Br ZINC000020370684 171167602 /nfs/dbraw/zinc/16/76/02/171167602.db2.gz UUVIPXRXVQRNIE-UHFFFAOYSA-N 1 2 299.555 3.872 10 0 CHAELO Nc1c[nH+]ccc1Oc1cc(Cl)ccc1Cl ZINC000020370557 171167797 /nfs/dbraw/zinc/16/77/97/171167797.db2.gz RFXZQPMBMAUVJR-UHFFFAOYSA-N 1 2 255.104 3.763 10 0 CHAELO Cc1ccc(Oc2ccc(N)c3c[nH+]ccc23)cc1 ZINC000035333084 172131466 /nfs/dbraw/zinc/13/14/66/172131466.db2.gz KCZNMTRGEBNQDV-UHFFFAOYSA-N 1 2 250.301 3.918 10 0 CHAELO Nc1ccc(SCc2csc(-c3ccco3)n2)c[nH+]1 ZINC000037192242 173020938 /nfs/dbraw/zinc/02/09/38/173020938.db2.gz CLYKACBNSDEESI-UHFFFAOYSA-N 1 2 289.385 3.673 10 0 CHAELO CCC[C@]([NH2+]C1CCCCC1)(C(=O)OC)c1ccccc1 ZINC000037971972 173923659 /nfs/dbraw/zinc/92/36/59/173923659.db2.gz WBISPXQRVKHJKR-GOSISDBHSA-N 1 2 289.419 3.777 10 0 CHAELO Nc1cccc2c1CC[N@H+](Cc1c(F)cccc1Cl)C2 ZINC000038032496 174028350 /nfs/dbraw/zinc/02/83/50/174028350.db2.gz RQTUFWLWIBBQJG-UHFFFAOYSA-N 1 2 290.769 3.620 10 0 CHAELO Nc1cccc2c1CC[N@@H+](Cc1c(F)cccc1Cl)C2 ZINC000038032496 174028352 /nfs/dbraw/zinc/02/83/52/174028352.db2.gz RQTUFWLWIBBQJG-UHFFFAOYSA-N 1 2 290.769 3.620 10 0 CHAELO CC[C@@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066614 174077456 /nfs/dbraw/zinc/07/74/56/174077456.db2.gz VGNXQTOMYAPWHC-IAQYHMDHSA-N 1 2 283.799 3.506 10 0 CHAELO COc1ccc(Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000040231595 174210005 /nfs/dbraw/zinc/21/00/05/174210005.db2.gz FDLACSFQYFBYAP-UHFFFAOYSA-N 1 2 278.355 3.971 10 0 CHAELO CN(c1ccccc1)c1nc[nH+]c(NC2CCCCC2)c1N ZINC000040708513 174380400 /nfs/dbraw/zinc/38/04/00/174380400.db2.gz IEMKCZKJNIBFQP-UHFFFAOYSA-N 1 2 297.406 3.571 10 0 CHAELO CN(c1ccccc1)c1[nH+]cnc(NC2CCCCC2)c1N ZINC000040708513 174380401 /nfs/dbraw/zinc/38/04/01/174380401.db2.gz IEMKCZKJNIBFQP-UHFFFAOYSA-N 1 2 297.406 3.571 10 0 CHAELO O[C@@H](CCCCCc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000043463841 175052426 /nfs/dbraw/zinc/05/24/26/175052426.db2.gz NYUGBUKQPFQIQM-LBPRGKRZSA-N 1 2 286.297 3.589 10 0 CHAELO CCOc1ccc([C@H](C)Nc2c[nH+]ccc2C)cc1 ZINC000071413256 176158620 /nfs/dbraw/zinc/15/86/20/176158620.db2.gz ANYXIDMUNJYSIX-ZDUSSCGKSA-N 1 2 256.349 3.962 10 0 CHAELO CCn1cc[nH+]c1CSCc1cccc(OC(F)F)c1 ZINC000176737298 261307553 /nfs/dbraw/zinc/30/75/53/261307553.db2.gz BDIUQMFRAZENRW-UHFFFAOYSA-N 1 2 298.358 3.938 10 0 CHAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000181558263 261903153 /nfs/dbraw/zinc/90/31/53/261903153.db2.gz MBJQWPFOCNTOPD-LBPRGKRZSA-N 1 2 273.380 3.526 10 0 CHAELO C[C@@H](COCc1ccccc1)Nc1ccc2ccccc2[nH+]1 ZINC000390668374 262237167 /nfs/dbraw/zinc/23/71/67/262237167.db2.gz WNWOZVXGTNDRBA-HNNXBMFYSA-N 1 2 292.382 3.674 10 0 CHAELO C[C@@H](NC(=O)/C=C\C(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000255870739 327023017 /nfs/dbraw/zinc/02/30/17/327023017.db2.gz SYHFAZNNICJLMI-QIAWRQBBSA-N 1 2 297.402 3.652 10 0 CHAELO c1cn2cc(C[N@H+]3CC=C(c4ccccc4)CC3)nc2s1 ZINC000171074387 329074118 /nfs/dbraw/zinc/07/41/18/329074118.db2.gz IAIAGNFDNPMMOQ-UHFFFAOYSA-N 1 2 295.411 3.685 10 0 CHAELO c1cn2cc(C[N@@H+]3CC=C(c4ccccc4)CC3)nc2s1 ZINC000171074387 329074119 /nfs/dbraw/zinc/07/41/19/329074119.db2.gz IAIAGNFDNPMMOQ-UHFFFAOYSA-N 1 2 295.411 3.685 10 0 CHAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547597 329198391 /nfs/dbraw/zinc/19/83/91/329198391.db2.gz MSAWIQXIHDMXHC-XHDPSFHLSA-N 1 2 298.415 3.615 10 0 CHAELO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1ccncc1 ZINC000182863081 329245659 /nfs/dbraw/zinc/24/56/59/329245659.db2.gz MWUCBZPHUZNMCO-OLZOCXBDSA-N 1 2 294.358 3.543 10 0 CHAELO Fc1ccccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185868927 329333865 /nfs/dbraw/zinc/33/38/65/329333865.db2.gz GGXRQFCUBIOPKI-UHFFFAOYSA-N 1 2 293.345 3.573 10 0 CHAELO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000220927536 333170816 /nfs/dbraw/zinc/17/08/16/333170816.db2.gz XIJAMVHSWFUUGS-CHWSQXEVSA-N 1 2 274.364 3.794 10 0 CHAELO Cc1ncc(C[N@@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000195372449 333251590 /nfs/dbraw/zinc/25/15/90/333251590.db2.gz YNAXMAYBRYDNJZ-GFCCVEGCSA-N 1 2 279.434 3.635 10 0 CHAELO Cc1ncc(C[N@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000195372449 333251592 /nfs/dbraw/zinc/25/15/92/333251592.db2.gz YNAXMAYBRYDNJZ-GFCCVEGCSA-N 1 2 279.434 3.635 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2c(C)oc3ccccc32)o1 ZINC000231531068 333325771 /nfs/dbraw/zinc/32/57/71/333325771.db2.gz WYCDXLDZEZXSJT-NSHDSACASA-N 1 2 270.332 3.888 10 0 CHAELO Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)c(C)[nH+]1 ZINC000176774836 335330363 /nfs/dbraw/zinc/33/03/63/335330363.db2.gz FXJPVGHERNPWEA-CQSZACIVSA-N 1 2 285.347 3.660 10 0 CHAELO CCNc1[nH+]cccc1CSc1ccccc1OC ZINC000052756548 520379015 /nfs/dbraw/zinc/37/90/15/520379015.db2.gz GHHWYOXMYFTPNW-UHFFFAOYSA-N 1 2 274.389 3.814 10 0 CHAELO CCCc1cc(N)c2c(Br)ccc(OC)c2[nH+]1 ZINC000050871102 521367165 /nfs/dbraw/zinc/36/71/65/521367165.db2.gz XRGXLTZLPGHLJS-UHFFFAOYSA-N 1 2 295.180 3.541 10 0 CHAELO CN(C)c1[nH+]cccc1N[C@@H]1CCCc2sccc21 ZINC000061326858 522379398 /nfs/dbraw/zinc/37/93/98/522379398.db2.gz QIWRFMKWCSQCIK-GFCCVEGCSA-N 1 2 273.405 3.699 10 0 CHAELO CNc1cc(COc2cc(C)ccc2Cl)cc[nH+]1 ZINC000052755395 522567063 /nfs/dbraw/zinc/56/70/63/522567063.db2.gz VUCRFGLRABIZBK-UHFFFAOYSA-N 1 2 262.740 3.664 10 0 CHAELO CNc1cc(COc2ccc(Cl)cc2C)cc[nH+]1 ZINC000052754597 522567076 /nfs/dbraw/zinc/56/70/76/522567076.db2.gz QHHRLWKOZJHFGM-UHFFFAOYSA-N 1 2 262.740 3.664 10 0 CHAELO CNc1[nH+]cccc1CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052755064 522709675 /nfs/dbraw/zinc/70/96/75/522709675.db2.gz DLSWNPWHETVVRY-JSGCOSHPSA-N 1 2 262.397 3.855 10 0 CHAELO CCc1cc(NC)nc(Cc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000050851062 523819506 /nfs/dbraw/zinc/81/95/06/523819506.db2.gz QYEDACFADOLTPX-UHFFFAOYSA-N 1 2 296.201 3.978 10 0 CHAELO CCc1cc(OCc2cc[nH+]c(NC)c2)ccc1Cl ZINC000052755419 523840989 /nfs/dbraw/zinc/84/09/89/523840989.db2.gz AVKAWBOZSUIEMG-UHFFFAOYSA-N 1 2 276.767 3.918 10 0 CHAELO Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)no1 ZINC000044692476 524777392 /nfs/dbraw/zinc/77/73/92/524777392.db2.gz QRKGLFVTIVBJEA-SECBINFHSA-N 1 2 268.719 3.626 10 0 CHAELO C[C@H](Nc1cc[nH+]c(C(N)=S)c1)c1ccc(Cl)cc1 ZINC000061812954 525673346 /nfs/dbraw/zinc/67/33/46/525673346.db2.gz XNNDTLCRQKGQPB-VIFPVBQESA-N 1 2 291.807 3.542 10 0 CHAELO Cc1[nH+]c[nH]c1CNc1ccc(Cl)c2ncccc12 ZINC000054795868 527215808 /nfs/dbraw/zinc/21/58/08/527215808.db2.gz JOSVHPCWMUANKT-UHFFFAOYSA-N 1 2 272.739 3.532 10 0 CHAELO Clc1cc([C@@H]2[NH2+]CCc3ccoc32)c(Cl)s1 ZINC000701290280 570276920 /nfs/dbraw/zinc/27/69/20/570276920.db2.gz MPBMDAXBJVDNRR-VIFPVBQESA-N 1 2 274.172 3.883 10 0 CHAELO C[C@H]1CCn2cc(-c3ccc(Cl)s3)[nH+]c2C1 ZINC000258531820 567931140 /nfs/dbraw/zinc/93/11/40/567931140.db2.gz SGTIETZPQHVQLO-QMMMGPOBSA-N 1 2 252.770 3.847 10 0 CHAELO CCc1cnc([C@H](C)Nc2cc[nH+]c(C3CC3)n2)s1 ZINC000301561480 529664721 /nfs/dbraw/zinc/66/47/21/529664721.db2.gz OTTPMPZKLVERBQ-VIFPVBQESA-N 1 2 274.393 3.546 10 0 CHAELO Cc1cn(-c2ccc3nc(-c4ccccc4)ncc3c2)c[nH+]1 ZINC000114470129 186625063 /nfs/dbraw/zinc/62/50/63/186625063.db2.gz NXNLFYOOYJDWGL-UHFFFAOYSA-N 1 2 286.338 3.791 10 0 CHAELO c1ccc([C@@H]2CC=NC(=[NH+]c3nc4ccccc4o3)N2)cc1 ZINC000006241801 170184676 /nfs/dbraw/zinc/18/46/76/170184676.db2.gz BJPJARRFIYPVOJ-ZDUSSCGKSA-N 1 2 290.326 3.812 10 0 CHAELO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccco1 ZINC000020136175 171024147 /nfs/dbraw/zinc/02/41/47/171024147.db2.gz HMIVGHXRYXYUDY-SNVBAGLBSA-N 1 2 258.346 3.740 10 0 CHAELO [NH2+]=C1c2ccccc2CN1c1ccc(F)cc1Cl ZINC000020303886 171140555 /nfs/dbraw/zinc/14/05/55/171140555.db2.gz PUPBUOBTCCJWMM-UHFFFAOYSA-N 1 2 260.699 3.825 10 0 CHAELO CCCCOc1ccc(-c2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000020547338 171244916 /nfs/dbraw/zinc/24/49/16/171244916.db2.gz OSFQWXKHLWXPGH-UHFFFAOYSA-N 1 2 281.359 3.991 10 0 CHAELO CCCn1c2ccccc2[nH+]c1CCc1cccc(N)c1 ZINC000020980518 171282959 /nfs/dbraw/zinc/28/29/59/171282959.db2.gz BFPPDCQPDOUDAF-UHFFFAOYSA-N 1 2 279.387 3.814 10 0 CHAELO COC(=O)[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C(C)C ZINC000035224660 172069413 /nfs/dbraw/zinc/06/94/13/172069413.db2.gz FJDLOWNDAJRWIB-GJZGRUSLSA-N 1 2 295.810 3.578 10 0 CHAELO CC[C@H](C)C[N@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037172827 173007004 /nfs/dbraw/zinc/00/70/04/173007004.db2.gz WXLCIIYOSCEZKM-VIFPVBQESA-N 1 2 260.303 3.770 10 0 CHAELO CC[C@H](C)C[N@@H+](C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037172827 173007006 /nfs/dbraw/zinc/00/70/06/173007006.db2.gz WXLCIIYOSCEZKM-VIFPVBQESA-N 1 2 260.303 3.770 10 0 CHAELO Nc1ccc(SCc2cccc(Cl)c2)c[nH+]1 ZINC000037192646 173022054 /nfs/dbraw/zinc/02/20/54/173022054.db2.gz XDCMDYJWTBPMIN-UHFFFAOYSA-N 1 2 250.754 3.610 10 0 CHAELO C[C@@H]1CCCC[C@H]1Nc1ccc2[nH+]cccc2c1N ZINC000037377587 173166469 /nfs/dbraw/zinc/16/64/69/173166469.db2.gz WKFIYRLQTHBOQD-DGCLKSJQSA-N 1 2 255.365 3.808 10 0 CHAELO Cc1cc2[nH+]cn(-c3c(F)cc(N)cc3F)c2cc1C ZINC000038040234 174040371 /nfs/dbraw/zinc/04/03/71/174040371.db2.gz LUFAQXGPOUSRNO-UHFFFAOYSA-N 1 2 273.286 3.503 10 0 CHAELO Cc1ccc(Cn2c3cc(C)c(C)cc3[nH+]c2CCO)cc1 ZINC000040310678 174230157 /nfs/dbraw/zinc/23/01/57/174230157.db2.gz JXPXXCUGRWUBBM-UHFFFAOYSA-N 1 2 294.398 3.545 10 0 CHAELO Cc1c(Cl)cccc1Nc1[nH+]cnc(NC(C)C)c1N ZINC000040701488 174379049 /nfs/dbraw/zinc/37/90/49/174379049.db2.gz PSRRYBZETKOOQL-UHFFFAOYSA-N 1 2 291.786 3.585 10 0 CHAELO Cc1c(Cl)cccc1Nc1nc[nH+]c(NC(C)C)c1N ZINC000040701488 174379051 /nfs/dbraw/zinc/37/90/51/174379051.db2.gz PSRRYBZETKOOQL-UHFFFAOYSA-N 1 2 291.786 3.585 10 0 CHAELO Nc1c(NC2CCCCC2)nc[nH+]c1Nc1ccccc1 ZINC000040708567 174380233 /nfs/dbraw/zinc/38/02/33/174380233.db2.gz YZTHGBHSGYSGBA-UHFFFAOYSA-N 1 2 283.379 3.547 10 0 CHAELO Nc1c(Nc2ccccc2)nc[nH+]c1NC1CCCCC1 ZINC000040708567 174380235 /nfs/dbraw/zinc/38/02/35/174380235.db2.gz YZTHGBHSGYSGBA-UHFFFAOYSA-N 1 2 283.379 3.547 10 0 CHAELO C[N@H+](CC(=O)c1ccc(Cl)s1)CC(C)(C)C ZINC000045084599 175303723 /nfs/dbraw/zinc/30/37/23/175303723.db2.gz PAIUQTHVBIEAME-UHFFFAOYSA-N 1 2 259.802 3.562 10 0 CHAELO C[N@@H+](CC(=O)c1ccc(Cl)s1)CC(C)(C)C ZINC000045084599 175303724 /nfs/dbraw/zinc/30/37/24/175303724.db2.gz PAIUQTHVBIEAME-UHFFFAOYSA-N 1 2 259.802 3.562 10 0 CHAELO Cc1cc[nH+]cc1N[C@H](C)CCc1ccc(O)cc1 ZINC000071413435 176158644 /nfs/dbraw/zinc/15/86/44/176158644.db2.gz NESGPJSDGIWWIE-CYBMUJFWSA-N 1 2 256.349 3.529 10 0 CHAELO Clc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000037202775 260074002 /nfs/dbraw/zinc/07/40/02/260074002.db2.gz PBSLUARIKAQWNV-UHFFFAOYSA-N 1 2 287.794 3.816 10 0 CHAELO COc1ccc([C@H](C)Nc2ccc[nH+]c2C)c(OC)c1 ZINC000091495924 260266230 /nfs/dbraw/zinc/26/62/30/260266230.db2.gz AGVNGILPZFQXLG-NSHDSACASA-N 1 2 272.348 3.580 10 0 CHAELO Cc1cnc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000175489496 261231225 /nfs/dbraw/zinc/23/12/25/261231225.db2.gz XHFXKUYVRXQOKS-CYBMUJFWSA-N 1 2 258.365 3.957 10 0 CHAELO CCCCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173944730 261551227 /nfs/dbraw/zinc/55/12/27/261551227.db2.gz LSIGBRJGVTWSFM-CQSZACIVSA-N 1 2 285.391 3.630 10 0 CHAELO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000164682736 327723171 /nfs/dbraw/zinc/72/31/71/327723171.db2.gz ZMIDXXFFDYPZRS-JSGCOSHPSA-N 1 2 296.374 3.518 10 0 CHAELO CC(C)C[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000185421678 327839913 /nfs/dbraw/zinc/83/99/13/327839913.db2.gz PYVLNJKHQJTXJW-HUUCEWRRSA-N 1 2 299.418 3.732 10 0 CHAELO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049368068 328355740 /nfs/dbraw/zinc/35/57/40/328355740.db2.gz IZTBZNZNHWEKDS-QWHCGFSZSA-N 1 2 277.408 3.586 10 0 CHAELO Cc1noc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000038034418 326869036 /nfs/dbraw/zinc/86/90/36/326869036.db2.gz GEAGRJHZPBYSNG-LLVKDONJSA-N 1 2 273.380 3.526 10 0 CHAELO CC(=O)Nc1cccc([C@@H](C)Nc2ccc[nH+]c2C)c1 ZINC000091495710 327102948 /nfs/dbraw/zinc/10/29/48/327102948.db2.gz MHUKQPKYGODRPM-LLVKDONJSA-N 1 2 269.348 3.522 10 0 CHAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2nccn2CC)o1 ZINC000172871290 329139492 /nfs/dbraw/zinc/13/94/92/329139492.db2.gz XBPQCFPTJOKPHV-OAHLLOKOSA-N 1 2 287.407 3.786 10 0 CHAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2nccn2CC)o1 ZINC000172871290 329139493 /nfs/dbraw/zinc/13/94/93/329139493.db2.gz XBPQCFPTJOKPHV-OAHLLOKOSA-N 1 2 287.407 3.786 10 0 CHAELO CC(=O)c1ccc(NCc2[nH+]ccn2C(C)C)cc1Cl ZINC000181018440 329224845 /nfs/dbraw/zinc/22/48/45/329224845.db2.gz AJOFGAXWEGXZGZ-UHFFFAOYSA-N 1 2 291.782 3.932 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3o2)o1 ZINC000183084097 329247014 /nfs/dbraw/zinc/24/70/14/329247014.db2.gz BFXBAOUFJPDLLX-LLVKDONJSA-N 1 2 256.305 3.580 10 0 CHAELO Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc[nH+]cc1C)[C@@H](C)C2 ZINC000184188618 329257241 /nfs/dbraw/zinc/25/72/41/329257241.db2.gz DDUGZSMMMZEAKS-SJCJKPOMSA-N 1 2 295.386 3.753 10 0 CHAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000185823115 329329920 /nfs/dbraw/zinc/32/99/20/329329920.db2.gz JZFINCDOOKBIIU-OAHLLOKOSA-N 1 2 289.382 3.994 10 0 CHAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)o1 ZINC000186063412 329336915 /nfs/dbraw/zinc/33/69/15/329336915.db2.gz DLQNNGMVXDWNSO-CQSZACIVSA-N 1 2 293.370 3.896 10 0 CHAELO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](C2CCC2)CCO1 ZINC000187720457 329362711 /nfs/dbraw/zinc/36/27/11/329362711.db2.gz SMUNKRNFIBXBGQ-CQSZACIVSA-N 1 2 285.309 3.631 10 0 CHAELO FC(F)(F)c1ccccc1[C@H]1C[N@H+](C2CCC2)CCO1 ZINC000187720457 329362712 /nfs/dbraw/zinc/36/27/12/329362712.db2.gz SMUNKRNFIBXBGQ-CQSZACIVSA-N 1 2 285.309 3.631 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)o1 ZINC000231525353 329376984 /nfs/dbraw/zinc/37/69/84/329376984.db2.gz JJXCGUJGAQEURZ-VIFPVBQESA-N 1 2 268.719 3.626 10 0 CHAELO Cc1cc[nH+]c(N[C@@H](C)C(C)C)c1Br ZINC000232718471 329391079 /nfs/dbraw/zinc/39/10/79/329391079.db2.gz IOISNIDPGFSQIU-VIFPVBQESA-N 1 2 257.175 3.609 10 0 CHAELO CC(C)c1cccc(N(C)C(=O)[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000080607004 330144956 /nfs/dbraw/zinc/14/49/56/330144956.db2.gz QCHQJSHFJVGCMJ-MRXNPFEDSA-N 1 2 297.402 3.547 10 0 CHAELO Cc1cc[nH+]cc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085129961 330489164 /nfs/dbraw/zinc/48/91/64/330489164.db2.gz MHZWTUYTGOHYPL-GHMZBOCLSA-N 1 2 258.287 3.923 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)o1 ZINC000220905742 333170572 /nfs/dbraw/zinc/17/05/72/333170572.db2.gz CRLZKWOXXFNDRW-VHSXEESVSA-N 1 2 266.291 3.673 10 0 CHAELO CO[C@H](C)C[N@@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000248454497 334302624 /nfs/dbraw/zinc/30/26/24/334302624.db2.gz ZKUYSTSDMYFTCM-DOMZBBRYSA-N 1 2 297.826 3.527 10 0 CHAELO CO[C@H](C)C[N@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000248454497 334302626 /nfs/dbraw/zinc/30/26/26/334302626.db2.gz ZKUYSTSDMYFTCM-DOMZBBRYSA-N 1 2 297.826 3.527 10 0 CHAELO C[C@@H](Cc1cccs1)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000301849680 534254889 /nfs/dbraw/zinc/25/48/89/534254889.db2.gz AMJFBABGONHKQH-NSHDSACASA-N 1 2 271.389 3.692 10 0 CHAELO CCCCC1CCC(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000061680280 519919548 /nfs/dbraw/zinc/91/95/48/519919548.db2.gz FCORGDWUNLJYLQ-UHFFFAOYSA-N 1 2 275.396 3.599 10 0 CHAELO CCCNc1nc(Cc2ccccc2)[nH+]c(C)c1C ZINC000050864325 520187452 /nfs/dbraw/zinc/18/74/52/520187452.db2.gz JKNBQUPRZNTHTF-UHFFFAOYSA-N 1 2 255.365 3.506 10 0 CHAELO CCC[C@H](O)[C@H](CC)n1c2ccccc2[nH+]c1CC ZINC000062807853 521191554 /nfs/dbraw/zinc/19/15/54/521191554.db2.gz WAYOPQHIYZZDIU-ZFWWWQNUSA-N 1 2 260.381 3.711 10 0 CHAELO CCCCc1nc(Cl)c(C[NH2+]Cc2ccccc2F)[nH]1 ZINC000088398704 521308857 /nfs/dbraw/zinc/30/88/57/521308857.db2.gz VHXKJGHAMQYOTO-UHFFFAOYSA-N 1 2 295.789 3.835 10 0 CHAELO CNc1cc(C(C)C)[nH+]c(-c2ccc(C)cc2C)n1 ZINC000050865252 522563000 /nfs/dbraw/zinc/56/30/00/522563000.db2.gz ZGILLTHECAAOFP-UHFFFAOYSA-N 1 2 255.365 3.926 10 0 CHAELO CNc1[nH+]cccc1CSc1nc2ccccc2o1 ZINC000052756145 522711614 /nfs/dbraw/zinc/71/16/14/522711614.db2.gz PKYGNDGWVYHOPT-UHFFFAOYSA-N 1 2 271.345 3.557 10 0 CHAELO Cc1ccc(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000127786703 524453122 /nfs/dbraw/zinc/45/31/22/524453122.db2.gz RKTLUFBTNQBZEV-ZDUSSCGKSA-N 1 2 291.420 3.900 10 0 CHAELO Cc1ccc(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000127786703 524453135 /nfs/dbraw/zinc/45/31/35/524453135.db2.gz RKTLUFBTNQBZEV-ZDUSSCGKSA-N 1 2 291.420 3.900 10 0 CHAELO C[C@H]1CCn2cc(-c3cccc(Br)c3)[nH+]c2C1 ZINC000258386942 567931034 /nfs/dbraw/zinc/93/10/34/567931034.db2.gz MZFUZJJXBJYQGN-JTQLQIEISA-N 1 2 291.192 3.895 10 0 CHAELO Fc1ccc(C[NH2+]Cc2nc3ccccc3s2)c(F)c1 ZINC000020135915 171023180 /nfs/dbraw/zinc/02/31/80/171023180.db2.gz OCEGNDXRWQBEKK-UHFFFAOYSA-N 1 2 290.338 3.864 10 0 CHAELO Nc1c[nH+]ccc1Oc1ccc(Br)cc1Cl ZINC000020372793 171168845 /nfs/dbraw/zinc/16/88/45/171168845.db2.gz LKEJKWSLMUQAQL-UHFFFAOYSA-N 1 2 299.555 3.872 10 0 CHAELO Cc1ccc2[nH+]c(-c3cccc(NC(=O)C(C)C)c3)cn2c1 ZINC000035156310 172016762 /nfs/dbraw/zinc/01/67/62/172016762.db2.gz UVOJRHKKUSWIOH-UHFFFAOYSA-N 1 2 293.370 3.904 10 0 CHAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(C)C ZINC000035185746 172039867 /nfs/dbraw/zinc/03/98/67/172039867.db2.gz RWLFNMRNUOTLSP-GUYCJALGSA-N 1 2 285.387 3.688 10 0 CHAELO Cc1cc([N@@H+](Cc2ccccc2)C(C)C)ccc1N ZINC000035277547 172097215 /nfs/dbraw/zinc/09/72/15/172097215.db2.gz WRCGPRVGHJLFAL-UHFFFAOYSA-N 1 2 254.377 3.992 10 0 CHAELO Cc1cc([N@H+](Cc2ccccc2)C(C)C)ccc1N ZINC000035277547 172097216 /nfs/dbraw/zinc/09/72/16/172097216.db2.gz WRCGPRVGHJLFAL-UHFFFAOYSA-N 1 2 254.377 3.992 10 0 CHAELO CN(c1ccc2cc(N)ccc2[nH+]1)C1CCCCC1 ZINC000035343163 172135050 /nfs/dbraw/zinc/13/50/50/172135050.db2.gz FMHXCOBWVJVJII-UHFFFAOYSA-N 1 2 255.365 3.586 10 0 CHAELO [NH3+][C@H](c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000035381259 172163507 /nfs/dbraw/zinc/16/35/07/172163507.db2.gz OSEZZEIJPBTGMK-SECBINFHSA-N 1 2 292.585 3.805 10 0 CHAELO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccco2)c(C)s1 ZINC000035738564 172391299 /nfs/dbraw/zinc/39/12/99/172391299.db2.gz BWCDTVLSVMMLFX-DTWKUNHWSA-N 1 2 250.367 3.765 10 0 CHAELO CC[C@@H](C)[NH2+][C@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067028 174078374 /nfs/dbraw/zinc/07/83/74/174078374.db2.gz UMEKYCFCHRICDJ-ABAIWWIYSA-N 1 2 283.799 3.506 10 0 CHAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccccc1 ZINC000040295530 174223804 /nfs/dbraw/zinc/22/38/04/174223804.db2.gz OQRQHRAIJYTPAO-UHFFFAOYSA-N 1 2 293.370 3.600 10 0 CHAELO CCCC[N@H+](CC)C[C@H](O)c1c(C)cc(C)cc1C ZINC000044124167 175143763 /nfs/dbraw/zinc/14/37/63/175143763.db2.gz ITJRERSYNUGUEK-INIZCTEOSA-N 1 2 263.425 3.767 10 0 CHAELO CCCC[N@@H+](CC)C[C@H](O)c1c(C)cc(C)cc1C ZINC000044124167 175143764 /nfs/dbraw/zinc/14/37/64/175143764.db2.gz ITJRERSYNUGUEK-INIZCTEOSA-N 1 2 263.425 3.767 10 0 CHAELO COc1ccc(Cn2c[nH+]cc2-c2ccccc2)cc1 ZINC000045338026 175360958 /nfs/dbraw/zinc/36/09/58/175360958.db2.gz AZQFSYIIRUWICT-UHFFFAOYSA-N 1 2 264.328 3.607 10 0 in-vivo CHAELO Cc1cc[nH+]cc1NC1CC(c2cccc(F)c2)C1 ZINC000071413683 176159151 /nfs/dbraw/zinc/15/91/51/176159151.db2.gz VKAPKDTUJYTZTN-UHFFFAOYSA-N 1 2 256.324 3.887 10 0 CHAELO CCn1cc[nH+]c1CSCc1ccn(-c2ccccc2)n1 ZINC000175297109 261217129 /nfs/dbraw/zinc/21/71/29/261217129.db2.gz LKNWJLXNUGMIOV-UHFFFAOYSA-N 1 2 298.415 3.522 10 0 CHAELO CCn1cc[nH+]c1CSCc1cc(F)ccc1F ZINC000175290613 261218901 /nfs/dbraw/zinc/21/89/01/261218901.db2.gz RZXRPHNKOOPBKZ-UHFFFAOYSA-N 1 2 268.332 3.615 10 0 CHAELO Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(C)[nH+]1 ZINC000176206802 261270392 /nfs/dbraw/zinc/27/03/92/261270392.db2.gz PZULMOOBEPPHJR-CABCVRRESA-N 1 2 272.392 3.853 10 0 CHAELO CCc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1 ZINC000105607493 261311763 /nfs/dbraw/zinc/31/17/63/261311763.db2.gz GTTWZUBYOJSBDP-GFCCVEGCSA-N 1 2 297.358 3.743 10 0 CHAELO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049368074 328355909 /nfs/dbraw/zinc/35/59/09/328355909.db2.gz IZTBZNZNHWEKDS-CHWSQXEVSA-N 1 2 277.408 3.586 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)cc(Cl)c2)o1 ZINC000339394340 327010302 /nfs/dbraw/zinc/01/03/02/327010302.db2.gz QRHGVQZFCIISSO-NSHDSACASA-N 1 2 264.756 3.796 10 0 CHAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000036980590 327209256 /nfs/dbraw/zinc/20/92/56/327209256.db2.gz LYBUTLHDWOQPRW-GOEBONIOSA-N 1 2 277.408 3.542 10 0 CHAELO c1coc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000172026814 329083334 /nfs/dbraw/zinc/08/33/34/329083334.db2.gz RNLHSRUVEYNMKV-CQSZACIVSA-N 1 2 295.342 3.667 10 0 CHAELO c1coc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000172026814 329083336 /nfs/dbraw/zinc/08/33/36/329083336.db2.gz RNLHSRUVEYNMKV-CQSZACIVSA-N 1 2 295.342 3.667 10 0 CHAELO Clc1ncc(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000175446489 329168717 /nfs/dbraw/zinc/16/87/17/329168717.db2.gz VJNRTKJDRMYATL-SNVBAGLBSA-N 1 2 268.769 3.727 10 0 CHAELO Clc1ncc(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000175446489 329168718 /nfs/dbraw/zinc/16/87/18/329168718.db2.gz VJNRTKJDRMYATL-SNVBAGLBSA-N 1 2 268.769 3.727 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)o1 ZINC000220903810 329203989 /nfs/dbraw/zinc/20/39/89/329203989.db2.gz GSDJKPPLPKJEQI-MRVPVSSYSA-N 1 2 256.758 3.549 10 0 CHAELO Cc1nnc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000181060737 329225542 /nfs/dbraw/zinc/22/55/42/329225542.db2.gz RCKXEOVHDRTBMU-SSDOTTSWSA-N 1 2 286.162 3.536 10 0 CHAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccncc1 ZINC000181591198 329235034 /nfs/dbraw/zinc/23/50/34/329235034.db2.gz PBMHOVPHFKDORU-LBPRGKRZSA-N 1 2 297.333 3.727 10 0 CHAELO Cc1cc[nH+]c(N[C@H](C)C(C)C)c1Br ZINC000232677366 329391194 /nfs/dbraw/zinc/39/11/94/329391194.db2.gz IOISNIDPGFSQIU-SECBINFHSA-N 1 2 257.175 3.609 10 0 CHAELO CCC[C@@H](CC)[NH2+][C@@H](c1noc(C)n1)c1ccccc1F ZINC000130850144 329628955 /nfs/dbraw/zinc/62/89/55/329628955.db2.gz MUVYZPZZYXYYSZ-IUODEOHRSA-N 1 2 291.370 3.775 10 0 CHAELO Cc1nc(N2CC[C@H](C)[C@H]2c2cccc(F)c2)cc[nH+]1 ZINC000245422383 329698619 /nfs/dbraw/zinc/69/86/19/329698619.db2.gz POULYUDMYAOMIF-ZBEGNZNMSA-N 1 2 271.339 3.512 10 0 CHAELO CCn1cc[nH+]c1CNc1c(C)cccc1SC ZINC000185439903 333140813 /nfs/dbraw/zinc/14/08/13/333140813.db2.gz RTZOLAQVIUDBAW-UHFFFAOYSA-N 1 2 261.394 3.545 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(OC(C)C)cc2)o1 ZINC000220903160 333170574 /nfs/dbraw/zinc/17/05/74/333170574.db2.gz YPVNYXNPSBHGLS-ZDUSSCGKSA-N 1 2 274.364 3.621 10 0 CHAELO Cc1cc[nH+]cc1N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000071413387 333860309 /nfs/dbraw/zinc/86/03/09/333860309.db2.gz XGVHJMCXQYGCDP-ZDUSSCGKSA-N 1 2 284.359 3.552 10 0 CHAELO CCCC1CC[NH+](CC(=O)c2cccc(F)c2)CC1 ZINC000050894152 519900832 /nfs/dbraw/zinc/90/08/32/519900832.db2.gz AYRDVDJJZABIAD-UHFFFAOYSA-N 1 2 263.356 3.521 10 0 CHAELO CNc1cc(COc2cc(C)c(Cl)c(C)c2)cc[nH+]1 ZINC000052755413 522566589 /nfs/dbraw/zinc/56/65/89/522566589.db2.gz RRFIVNQIWSOJFJ-UHFFFAOYSA-N 1 2 276.767 3.973 10 0 CHAELO CC(C)[N@H+](CC1CC1)c1ccc(Cl)cc1C(N)=S ZINC000052858907 519640752 /nfs/dbraw/zinc/64/07/52/519640752.db2.gz LOUWRSAPOJXPHK-UHFFFAOYSA-N 1 2 282.840 3.599 10 0 CHAELO CC(C)[N@@H+](CC1CC1)c1ccc(Cl)cc1C(N)=S ZINC000052858907 519640754 /nfs/dbraw/zinc/64/07/54/519640754.db2.gz LOUWRSAPOJXPHK-UHFFFAOYSA-N 1 2 282.840 3.599 10 0 CHAELO CC(C)n1cc[nH+]c1CN1c2ccccc2SC[C@@H]1C ZINC000150815477 520029953 /nfs/dbraw/zinc/02/99/53/520029953.db2.gz PUFZFUXUTBRKOX-ZDUSSCGKSA-N 1 2 287.432 3.965 10 0 CHAELO CCNc1[nH+]cccc1CSc1ccc(OC)cc1 ZINC000052756050 520377448 /nfs/dbraw/zinc/37/74/48/520377448.db2.gz ZIOQTIAFOSCSAX-UHFFFAOYSA-N 1 2 274.389 3.814 10 0 CHAELO Fc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202227 534522775 /nfs/dbraw/zinc/52/27/75/534522775.db2.gz JYHOJUWVAZAMLP-OAHLLOKOSA-N 1 2 293.773 3.929 10 0 CHAELO Fc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202227 534522781 /nfs/dbraw/zinc/52/27/81/534522781.db2.gz JYHOJUWVAZAMLP-OAHLLOKOSA-N 1 2 293.773 3.929 10 0 CHAELO CCC[C@](C)(CO)C[N@@H+]1CCCc2cc(C)ccc21 ZINC000051292282 521268436 /nfs/dbraw/zinc/26/84/36/521268436.db2.gz JCNIHXHWFNMZIE-KRWDZBQOSA-N 1 2 261.409 3.546 10 0 CHAELO CCC[C@](C)(CO)C[N@H+]1CCCc2cc(C)ccc21 ZINC000051292282 521268448 /nfs/dbraw/zinc/26/84/48/521268448.db2.gz JCNIHXHWFNMZIE-KRWDZBQOSA-N 1 2 261.409 3.546 10 0 CHAELO CNc1[nH+]cccc1COc1c(C)cc(C)cc1C ZINC000052755643 522710392 /nfs/dbraw/zinc/71/03/92/522710392.db2.gz RBZJQGORKRSIBU-UHFFFAOYSA-N 1 2 256.349 3.628 10 0 CHAELO CCc1c(C)[nH+]c(-c2ccc(F)c(C)c2)nc1NC ZINC000050849257 523708833 /nfs/dbraw/zinc/70/88/33/523708833.db2.gz XUPWSAUJVFRAKG-UHFFFAOYSA-N 1 2 259.328 3.504 10 0 CHAELO C[C@H](Nc1nc[nH+]c(N)c1Cl)c1ccc(Cl)s1 ZINC000235561256 525685477 /nfs/dbraw/zinc/68/54/77/525685477.db2.gz JNVIKTSRFZWOMW-YFKPBYRVSA-N 1 2 289.191 3.600 10 0 CHAELO C[C@H](Nc1[nH+]cnc(N)c1Cl)c1ccc(Cl)s1 ZINC000235561256 525685482 /nfs/dbraw/zinc/68/54/82/525685482.db2.gz JNVIKTSRFZWOMW-YFKPBYRVSA-N 1 2 289.191 3.600 10 0 CHAELO Clc1cc(Cl)cc(NCCCn2cc[nH+]c2)c1 ZINC000049327696 526928261 /nfs/dbraw/zinc/92/82/61/526928261.db2.gz FULALWRWOWWZHX-UHFFFAOYSA-N 1 2 270.163 3.692 10 0 CHAELO Nc1[nH+]cccc1COc1c(Cl)cccc1Cl ZINC000052755537 527568589 /nfs/dbraw/zinc/56/85/89/527568589.db2.gz CEZJQWNYNRRJKJ-UHFFFAOYSA-N 1 2 269.131 3.550 10 0 CHAELO Nc1[nH+]cccc1COc1ccc(Cl)c(Cl)c1 ZINC000052755612 527568664 /nfs/dbraw/zinc/56/86/64/527568664.db2.gz ZEXDBFYNEDIBNP-UHFFFAOYSA-N 1 2 269.131 3.550 10 0 CHAELO CC(C)n1c[nH+]cc1-c1cccc(OC(F)F)c1 ZINC000725245896 567908167 /nfs/dbraw/zinc/90/81/67/567908167.db2.gz MKWFJNKEQFDEGW-UHFFFAOYSA-N 1 2 252.264 3.732 10 0 CHAELO CC(C)n1c[nH+]cc1-c1ccc(OC(F)F)cc1F ZINC000725246313 567908351 /nfs/dbraw/zinc/90/83/51/567908351.db2.gz UVXDZDYKOKUSCO-UHFFFAOYSA-N 1 2 270.254 3.872 10 0 CHAELO C[C@@H]1CCc2[nH+]c(-c3ccccc3Br)cn2C1 ZINC000258482726 567930936 /nfs/dbraw/zinc/93/09/36/567930936.db2.gz QQJDGPLHHSOBJU-SNVBAGLBSA-N 1 2 291.192 3.895 10 0 CHAELO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1C(=O)OCc1ccccc1 ZINC000096330755 256839774 /nfs/dbraw/zinc/83/97/74/256839774.db2.gz CANYIAQWEWELJV-MAUKXSAKSA-N 1 2 295.382 3.565 10 0 CHAELO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1C(=O)OCc1ccccc1 ZINC000096330755 256839775 /nfs/dbraw/zinc/83/97/75/256839775.db2.gz CANYIAQWEWELJV-MAUKXSAKSA-N 1 2 295.382 3.565 10 0 CHAELO Cc1[nH+]c2ccccc2n1CC(=O)c1cccc(Cl)c1 ZINC000034979815 171912050 /nfs/dbraw/zinc/91/20/50/171912050.db2.gz ULCSZHYOFDXVOA-UHFFFAOYSA-N 1 2 284.746 3.881 10 0 CHAELO CC[C@@H]([NH2+][C@H](C(=O)OC)C(C)C)c1cccc(Cl)c1 ZINC000035346495 172139141 /nfs/dbraw/zinc/13/91/41/172139141.db2.gz PAHOMIGJOAHNAK-KGLIPLIRSA-N 1 2 283.799 3.578 10 0 CHAELO CCn1c(C[NH2+][C@@H](C)c2ccc(C)o2)nc2ccccc21 ZINC000038046804 174055919 /nfs/dbraw/zinc/05/59/19/174055919.db2.gz SLXAUETVYFAMNG-ZDUSSCGKSA-N 1 2 283.375 3.808 10 0 CHAELO CC[C@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066615 174077606 /nfs/dbraw/zinc/07/76/06/174077606.db2.gz VGNXQTOMYAPWHC-XHDPSFHLSA-N 1 2 283.799 3.506 10 0 CHAELO CC[C@@H](C)[NH2+][C@@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067030 174078488 /nfs/dbraw/zinc/07/84/88/174078488.db2.gz UMEKYCFCHRICDJ-IAQYHMDHSA-N 1 2 283.799 3.506 10 0 CHAELO CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1ccc(Cl)cc1 ZINC000038067699 174079094 /nfs/dbraw/zinc/07/90/94/174079094.db2.gz LKUVTNDYSTUPOD-XHDPSFHLSA-N 1 2 283.799 3.506 10 0 CHAELO CCOC(=O)[C@@](C)([NH2+][C@@H](C)CC)c1cccc(Cl)c1 ZINC000038067735 174079926 /nfs/dbraw/zinc/07/99/26/174079926.db2.gz XGUMBNNNKXBJOC-NHYWBVRUSA-N 1 2 283.799 3.506 10 0 CHAELO CCOCCCn1c(CC)[nH+]c2cc(Cl)ccc21 ZINC000040403209 174253856 /nfs/dbraw/zinc/25/38/56/174253856.db2.gz KHDNSTMCAYXIMN-UHFFFAOYSA-N 1 2 266.772 3.679 10 0 CHAELO Cc1cc(C)cc(Nc2[nH+]cnc(NC3CCCC3)c2N)c1 ZINC000040682209 174375527 /nfs/dbraw/zinc/37/55/27/174375527.db2.gz ZXEZVLJQUJYASQ-UHFFFAOYSA-N 1 2 297.406 3.774 10 0 CHAELO Cc1ccc(Nc2[nH+]cnc(NCCC(C)C)c2N)c(C)c1 ZINC000040755509 174396544 /nfs/dbraw/zinc/39/65/44/174396544.db2.gz XVCUGKVYDSGFGT-UHFFFAOYSA-N 1 2 299.422 3.877 10 0 CHAELO Cc1ccc(Nc2nc[nH+]c(NCCC(C)C)c2N)c(C)c1 ZINC000040755509 174396547 /nfs/dbraw/zinc/39/65/47/174396547.db2.gz XVCUGKVYDSGFGT-UHFFFAOYSA-N 1 2 299.422 3.877 10 0 CHAELO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000114202857 228112505 /nfs/dbraw/zinc/11/25/05/228112505.db2.gz YZFWOYCHTMTGNM-HNNXBMFYSA-N 1 2 293.773 3.929 10 0 CHAELO Fc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000114202857 228112507 /nfs/dbraw/zinc/11/25/07/228112507.db2.gz YZFWOYCHTMTGNM-HNNXBMFYSA-N 1 2 293.773 3.929 10 0 CHAELO CC[C@@]12C=CC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)C=C2 ZINC000015148942 260039698 /nfs/dbraw/zinc/03/96/98/260039698.db2.gz YGQJAUFBGGXCPP-MOPGFXCFSA-N 1 2 276.383 3.991 10 0 CHAELO CC[C@@]12C=CC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)C=C2 ZINC000015148942 260039700 /nfs/dbraw/zinc/03/97/00/260039700.db2.gz YGQJAUFBGGXCPP-MOPGFXCFSA-N 1 2 276.383 3.991 10 0 CHAELO CCCn1ccc(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000091010799 260264826 /nfs/dbraw/zinc/26/48/26/260264826.db2.gz FCSIEYWDMGXLKM-UHFFFAOYSA-N 1 2 284.407 3.505 10 0 CHAELO CCc1nc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000154386695 261091153 /nfs/dbraw/zinc/09/11/53/261091153.db2.gz XNHMIOYAUFLYQW-GFCCVEGCSA-N 1 2 287.407 3.780 10 0 CHAELO CCn1cc[nH+]c1CSCCCOc1ccc(F)cc1 ZINC000175278315 261217903 /nfs/dbraw/zinc/21/79/03/261217903.db2.gz PAWXYTLWDSQSIT-UHFFFAOYSA-N 1 2 294.395 3.744 10 0 CHAELO FC(F)CNc1cc[nH+]c2c(Br)cccc12 ZINC000301435304 261333871 /nfs/dbraw/zinc/33/38/71/261333871.db2.gz RDYINMHMTOVPNT-UHFFFAOYSA-N 1 2 287.107 3.674 10 0 CHAELO c1nc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)co1 ZINC000182065447 261922715 /nfs/dbraw/zinc/92/27/15/261922715.db2.gz KLMPBJMXLWUVGG-OAHLLOKOSA-N 1 2 284.359 3.601 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2Br)o1 ZINC000220925534 329203951 /nfs/dbraw/zinc/20/39/51/329203951.db2.gz HHZSJNFMIGGLLN-JTQLQIEISA-N 1 2 295.180 3.596 10 0 CHAELO C[C@H](NC(=O)/C=C\C(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000255870738 327022979 /nfs/dbraw/zinc/02/29/79/327022979.db2.gz SYHFAZNNICJLMI-CKXPSTMWSA-N 1 2 297.402 3.652 10 0 CHAELO COc1ccc([C@H](C)Nc2ccc[nH+]c2C)cc1OC ZINC000091495888 327102765 /nfs/dbraw/zinc/10/27/65/327102765.db2.gz QJVCNBVURVSCLJ-NSHDSACASA-N 1 2 272.348 3.580 10 0 CHAELO CCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914179 329151132 /nfs/dbraw/zinc/15/11/32/329151132.db2.gz DXPLNSKSYDPWDY-HUUCEWRRSA-N 1 2 299.418 3.876 10 0 CHAELO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(Cl)s1 ZINC000193114169 329437462 /nfs/dbraw/zinc/43/74/62/329437462.db2.gz KBHZGGVFTCHLEG-SSDOTTSWSA-N 1 2 283.784 3.513 10 0 CHAELO CCn1cc[nH+]c1CSCc1cnn(-c2ccccc2)c1 ZINC000124971271 329575923 /nfs/dbraw/zinc/57/59/23/329575923.db2.gz PTRSUJQRVGJLPR-UHFFFAOYSA-N 1 2 298.415 3.522 10 0 CHAELO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)oc1C ZINC000223650030 333210418 /nfs/dbraw/zinc/21/04/18/333210418.db2.gz KETUKHATHDWWSH-ZDUSSCGKSA-N 1 2 258.365 3.759 10 0 CHAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C(F)F)c2)o1 ZINC000232004943 333332665 /nfs/dbraw/zinc/33/26/65/333332665.db2.gz BPHOLQIPFLWYJG-SNVBAGLBSA-N 1 2 266.291 3.771 10 0 CHAELO CO[C@@H](C)C[N@@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000248454498 334302519 /nfs/dbraw/zinc/30/25/19/334302519.db2.gz ZKUYSTSDMYFTCM-WFASDCNBSA-N 1 2 297.826 3.527 10 0 CHAELO CO[C@@H](C)C[N@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000248454498 334302521 /nfs/dbraw/zinc/30/25/21/334302521.db2.gz ZKUYSTSDMYFTCM-WFASDCNBSA-N 1 2 297.826 3.527 10 0 CHAELO Clc1ccsc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248733023 334315145 /nfs/dbraw/zinc/31/51/45/334315145.db2.gz MJQXXEYYSFGSJN-NEPJUHHUSA-N 1 2 271.813 3.545 10 0 CHAELO Clc1ccsc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248733023 334315147 /nfs/dbraw/zinc/31/51/47/334315147.db2.gz MJQXXEYYSFGSJN-NEPJUHHUSA-N 1 2 271.813 3.545 10 0 CHAELO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)c1ncccn1 ZINC000055224950 520087893 /nfs/dbraw/zinc/08/78/93/520087893.db2.gz XEGQBZPDWVZHEK-CYBMUJFWSA-N 1 2 296.201 3.872 10 0 CHAELO CCNc1ccc(CO[C@H]2CCCC[C@@H]2CC)c[nH+]1 ZINC000050831464 520303676 /nfs/dbraw/zinc/30/36/76/520303676.db2.gz JJRBPWPLOYGWMB-GJZGRUSLSA-N 1 2 262.397 3.999 10 0 CHAELO COc1c(C)c[nH+]c(CNc2ccc3c(c2)CCC3)c1C ZINC000020048723 518126996 /nfs/dbraw/zinc/12/69/96/518126996.db2.gz URTBYYFRFORAMW-UHFFFAOYSA-N 1 2 282.387 3.808 10 0 CHAELO CC(C)c1cc(N)nc(-c2ccc(Cl)c(F)c2)[nH+]1 ZINC000050867085 519832913 /nfs/dbraw/zinc/83/29/13/519832913.db2.gz JKFDZCAXLUTWBS-UHFFFAOYSA-N 1 2 265.719 3.642 10 0 CHAELO CC(C)c1cc(N)c2cccc(OC(F)F)c2[nH+]1 ZINC000050870816 519833040 /nfs/dbraw/zinc/83/30/40/519833040.db2.gz XXYJHBSSNJNIRH-UHFFFAOYSA-N 1 2 252.264 3.542 10 0 CHAELO CNc1cc(COc2c(C)ccc(C)c2C)cc[nH+]1 ZINC000052755351 522568310 /nfs/dbraw/zinc/56/83/10/522568310.db2.gz FKEYBQMYQDIHPN-UHFFFAOYSA-N 1 2 256.349 3.628 10 0 CHAELO COc1ccc([NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000057614943 524675030 /nfs/dbraw/zinc/67/50/30/524675030.db2.gz BMVZEHZVLZAQJF-UHFFFAOYSA-N 1 2 257.377 3.932 10 0 CHAELO COc1ccc([NH2+][C@@H](C)CC(C)(C)OC)cc1C ZINC000049528421 524701016 /nfs/dbraw/zinc/70/10/16/524701016.db2.gz ISQAZBMIHPWGAP-LBPRGKRZSA-N 1 2 251.370 3.619 10 0 CHAELO Cc1cc(N)c[nH+]c1Nc1ccc(Cl)cc1F ZINC000052813120 525041701 /nfs/dbraw/zinc/04/17/01/525041701.db2.gz JHVHOXKJCUTEMR-UHFFFAOYSA-N 1 2 251.692 3.508 10 0 CHAELO COc1ccc([C@@H](C)Nc2cc[nH+]c(C3CC3)n2)cc1OC ZINC000264632931 525165973 /nfs/dbraw/zinc/16/59/73/525165973.db2.gz KMNIRHPBKQCAST-LLVKDONJSA-N 1 2 299.374 3.544 10 0 CHAELO Clc1ccc(Cl)c(NCCCn2cc[nH+]c2)c1 ZINC000049327569 526954475 /nfs/dbraw/zinc/95/44/75/526954475.db2.gz VFXFCVBOMXCUBZ-UHFFFAOYSA-N 1 2 270.163 3.692 10 0 CHAELO Nc1[nH+]cccc1COc1cccc(Cl)c1Cl ZINC000052755203 527568905 /nfs/dbraw/zinc/56/89/05/527568905.db2.gz YUTQFAPMYUOYKZ-UHFFFAOYSA-N 1 2 269.131 3.550 10 0 CHAELO CCCCCSc1nsnc1C1=CCC[N@H+](C)C1 ZINC000013456708 560216910 /nfs/dbraw/zinc/21/69/10/560216910.db2.gz LRTWCQHCJKYNPS-UHFFFAOYSA-N 1 2 283.466 3.539 10 0 in-vitro CHAELO CCCCCSc1nsnc1C1=CCC[N@@H+](C)C1 ZINC000013456708 560216912 /nfs/dbraw/zinc/21/69/12/560216912.db2.gz LRTWCQHCJKYNPS-UHFFFAOYSA-N 1 2 283.466 3.539 10 0 in-vitro CHAELO COc1ccc(Cc2[nH+]ccc3cc4c(cc32)OCO4)cc1 ZINC000014444071 560221450 /nfs/dbraw/zinc/22/14/50/560221450.db2.gz SJQUHHVDBQGYPL-UHFFFAOYSA-N 1 2 293.322 3.563 10 0 biogenic,in-vitro CHAELO CNc1nc(NCc2ccc(Cl)cc2)c2ccccc2[nH+]1 ZINC000127947762 567033747 /nfs/dbraw/zinc/03/37/47/567033747.db2.gz VENMKIWSQIDYDE-UHFFFAOYSA-N 1 2 298.777 3.937 10 0 CHAELO CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000057353487 567895121 /nfs/dbraw/zinc/89/51/21/567895121.db2.gz IPYSMMQHJQWOJY-QGZVFWFLSA-N 1 2 299.462 3.625 10 0 CHAELO C[C@H]1CCc2[nH+]c(-c3ccccc3Br)cn2C1 ZINC000258482723 567931000 /nfs/dbraw/zinc/93/10/00/567931000.db2.gz QQJDGPLHHSOBJU-JTQLQIEISA-N 1 2 291.192 3.895 10 0 CHAELO C[N@@H+]1CCCC[C@@H]1Oc1cccc(C(F)(F)F)c1 ZINC000095940649 185036728 /nfs/dbraw/zinc/03/67/28/185036728.db2.gz PZFWFQRWLOTEPA-LBPRGKRZSA-N 1 2 259.271 3.526 10 0 CHAELO C[N@H+]1CCCC[C@@H]1Oc1cccc(C(F)(F)F)c1 ZINC000095940649 185036730 /nfs/dbraw/zinc/03/67/30/185036730.db2.gz PZFWFQRWLOTEPA-LBPRGKRZSA-N 1 2 259.271 3.526 10 0 CHAELO Cc1cccn2cc(COc3cccc4cccnc43)[nH+]c12 ZINC000035482711 172222330 /nfs/dbraw/zinc/22/23/30/172222330.db2.gz XKBSWUQGKVWVMK-UHFFFAOYSA-N 1 2 289.338 3.770 10 0 CHAELO C[C@H](Nc1ccc2cc(N)ccc2[nH+]1)c1ccco1 ZINC000035739165 172393271 /nfs/dbraw/zinc/39/32/71/172393271.db2.gz UCRQNDSEKWUFKU-JTQLQIEISA-N 1 2 253.305 3.583 10 0 CHAELO Nc1ccc2[nH]c(CSc3ccc(F)cc3)[nH+]c2c1 ZINC000037285632 173091890 /nfs/dbraw/zinc/09/18/90/173091890.db2.gz DRNRVIAERHNIQO-UHFFFAOYSA-N 1 2 273.336 3.577 10 0 CHAELO C[C@H]1CCCC[C@H]1Nc1ccc2[nH+]cccc2c1N ZINC000037377590 173165908 /nfs/dbraw/zinc/16/59/08/173165908.db2.gz WKFIYRLQTHBOQD-WCQYABFASA-N 1 2 255.365 3.808 10 0 CHAELO Cc1cccc2oc([C@H]3Cc4ccccc4C[NH2+]3)nc21 ZINC000038052796 174063932 /nfs/dbraw/zinc/06/39/32/174063932.db2.gz ZSNOUTFNWAQZFX-CQSZACIVSA-N 1 2 264.328 3.523 10 0 CHAELO CCCCNc1nc[nH+]c(Nc2ccc(Cl)cc2)c1N ZINC000040706575 174379691 /nfs/dbraw/zinc/37/96/91/174379691.db2.gz TWAAUKKWHXGYGE-UHFFFAOYSA-N 1 2 291.786 3.668 10 0 CHAELO CCCCNc1[nH+]cnc(Nc2ccc(Cl)cc2)c1N ZINC000040706575 174379692 /nfs/dbraw/zinc/37/96/92/174379692.db2.gz TWAAUKKWHXGYGE-UHFFFAOYSA-N 1 2 291.786 3.668 10 0 CHAELO Clc1sccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000312580180 260157771 /nfs/dbraw/zinc/15/77/71/260157771.db2.gz KDRQVAMEKPCERS-LLVKDONJSA-N 1 2 265.765 3.625 10 0 CHAELO CCCc1nc(CSCc2[nH+]ccn2CC)cs1 ZINC000175289016 261218805 /nfs/dbraw/zinc/21/88/05/261218805.db2.gz JJTRRULZHSMECA-UHFFFAOYSA-N 1 2 281.450 3.745 10 0 CHAELO COc1cccc(CSCc2[nH+]ccn2C(C)C)c1 ZINC000171678309 261476987 /nfs/dbraw/zinc/47/69/87/261476987.db2.gz WHHLCSZVSGCPCK-UHFFFAOYSA-N 1 2 276.405 3.906 10 0 CHAELO CC/C=C/CC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000184493693 262021554 /nfs/dbraw/zinc/02/15/54/262021554.db2.gz UUOCGKUEOVTDIV-GFUIURDCSA-N 1 2 263.385 3.686 10 0 CHAELO CC/C=C/CC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000184493693 262021556 /nfs/dbraw/zinc/02/15/56/262021556.db2.gz UUOCGKUEOVTDIV-GFUIURDCSA-N 1 2 263.385 3.686 10 0 CHAELO CCn1cc[nH+]c1CSCc1cc(F)cc(F)c1 ZINC000187506682 263261146 /nfs/dbraw/zinc/26/11/46/263261146.db2.gz WUOZVSBRQOCAJM-UHFFFAOYSA-N 1 2 268.332 3.615 10 0 CHAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)s2)o1 ZINC000220903862 329204116 /nfs/dbraw/zinc/20/41/16/329204116.db2.gz GSDJKPPLPKJEQI-QMMMGPOBSA-N 1 2 256.758 3.549 10 0 CHAELO COc1ccc2c(c1)CCC[C@H]2Nc1ccc[nH+]c1C ZINC000091495620 327102526 /nfs/dbraw/zinc/10/25/26/327102526.db2.gz OSQNZKVJPPDFBG-QGZVFWFLSA-N 1 2 268.360 3.888 10 0 CHAELO CC(=O)Nc1cccc([C@H](C)Nc2ccc[nH+]c2C)c1 ZINC000091495709 327102808 /nfs/dbraw/zinc/10/28/08/327102808.db2.gz MHUKQPKYGODRPM-NSHDSACASA-N 1 2 269.348 3.522 10 0 CHAELO Clc1ccccc1-c1cnc(C[NH+]2CCSCC2)o1 ZINC000173534620 329148491 /nfs/dbraw/zinc/14/84/91/329148491.db2.gz VSSIHIPTLXBJMB-UHFFFAOYSA-N 1 2 294.807 3.544 10 0 CHAELO CC(C)n1cc[nH+]c1C[S@@](=O)c1ccc2ccccc2c1 ZINC000177082391 329182999 /nfs/dbraw/zinc/18/29/99/329182999.db2.gz CYTZPIIEPPWXGZ-OAQYLSRUSA-N 1 2 298.411 3.925 10 0 CHAELO CC(C)n1cc[nH+]c1C[S@](=O)c1ccc2ccccc2c1 ZINC000177082405 329183122 /nfs/dbraw/zinc/18/31/22/329183122.db2.gz CYTZPIIEPPWXGZ-NRFANRHFSA-N 1 2 298.411 3.925 10 0 CHAELO Cn1cc[nH+]c1-c1cccc(NC(=O)Nc2ccsc2)c1 ZINC000186597716 329345916 /nfs/dbraw/zinc/34/59/16/329345916.db2.gz GMWJGBLUYOAUJB-UHFFFAOYSA-N 1 2 298.371 3.793 10 0 CHAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)o1 ZINC000220905920 333170570 /nfs/dbraw/zinc/17/05/70/333170570.db2.gz CRLZKWOXXFNDRW-ZJUUUORDSA-N 1 2 266.291 3.673 10 0 CHAELO CC(C)=CC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195398817 333252070 /nfs/dbraw/zinc/25/20/70/333252070.db2.gz HWQHBYSNHXZYHM-ZDUSSCGKSA-N 1 2 294.464 3.780 10 0 CHAELO CC(C)=CC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195398817 333252072 /nfs/dbraw/zinc/25/20/72/333252072.db2.gz HWQHBYSNHXZYHM-ZDUSSCGKSA-N 1 2 294.464 3.780 10 0 CHAELO CCNc1cc(CC)[nH+]c(-c2cccc(C)c2C)n1 ZINC000050865203 520269041 /nfs/dbraw/zinc/26/90/41/520269041.db2.gz MFKNYLWCSNLESW-UHFFFAOYSA-N 1 2 255.365 3.755 10 0 CHAELO CCNc1[nH+]cccc1COCc1ccccc1Cl ZINC000052754850 520378640 /nfs/dbraw/zinc/37/86/40/520378640.db2.gz ZKIUBPQTRVTFRZ-UHFFFAOYSA-N 1 2 276.767 3.884 10 0 CHAELO Cc1cc(C[NH2+][C@@H](C)c2ccccc2Br)no1 ZINC000044296254 524766414 /nfs/dbraw/zinc/76/64/14/524766414.db2.gz LRUMYSUUFZABKH-JTQLQIEISA-N 1 2 295.180 3.596 10 0 CHAELO Cc1cc(Cl)cc(C)c1OCc1ccc(N)[nH+]c1 ZINC000050830570 524859915 /nfs/dbraw/zinc/85/99/15/524859915.db2.gz HEWIROAPHULWIA-UHFFFAOYSA-N 1 2 262.740 3.513 10 0 CHAELO Cc1cc(N)nc(-c2ccc(-c3ccccc3)cc2)[nH+]1 ZINC000050866341 525041058 /nfs/dbraw/zinc/04/10/58/525041058.db2.gz JPMXSFZPPYKMFK-UHFFFAOYSA-N 1 2 261.328 3.701 10 0 CHAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(C)c(C)s2)o1 ZINC000094965570 525930636 /nfs/dbraw/zinc/93/06/36/525930636.db2.gz JSSBCPBPKTVFEA-JTQLQIEISA-N 1 2 250.367 3.512 10 0 CHAELO O=C(CCC[NH+]1Cc2ccccc2C1)c1cccs1 ZINC000050911607 526433993 /nfs/dbraw/zinc/43/39/93/526433993.db2.gz JIVYLJCGAPIGNA-UHFFFAOYSA-N 1 2 271.385 3.727 10 0 CHAELO Cc1noc(C)c1[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000078678650 526565727 /nfs/dbraw/zinc/56/57/27/526565727.db2.gz FLZQJPJQQMSGQW-SNVBAGLBSA-N 1 2 274.368 3.686 10 0 CHAELO Cc1[nH+]c(-c2ccc(O)c(Cl)c2)nc(N)c1C(C)C ZINC000061687603 526578296 /nfs/dbraw/zinc/57/82/96/526578296.db2.gz IRAMFKQCIAIAOR-UHFFFAOYSA-N 1 2 277.755 3.517 10 0 CHAELO Cc1[nH+]c[nH]c1CNc1ccc(SC(F)F)cc1 ZINC000054794679 527215546 /nfs/dbraw/zinc/21/55/46/527215546.db2.gz KSNVWUXNOIJCSU-UHFFFAOYSA-N 1 2 269.320 3.645 10 0 CHAELO COc1c(C)c[nH+]c(CSc2ccccc2N)c1C ZINC000019844457 567211242 /nfs/dbraw/zinc/21/12/42/567211242.db2.gz DKDFHIXFHMHAFL-UHFFFAOYSA-N 1 2 274.389 3.582 10 0 CHAELO