smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(-c2[nH+]c(-c3ccccc3)c3ccccn32)cc1 ZINC000003893014 181052736 /nfs/dbraw/zinc/05/27/36/181052736.db2.gz ONIDYQRFKKROFC-UHFFFAOYSA-N 1 2 314.388 5.067 10 0 DKAELO c1c(-c2ccccc2)[nH+]c2n1c1ccccc1n2Cc1ccccc1 ZINC000005286346 181226415 /nfs/dbraw/zinc/22/64/15/181226415.db2.gz WJYDGMPGIRYSKZ-UHFFFAOYSA-N 1 2 323.399 5.004 10 0 DKAELO c1ccc(-c2cc(-c3ccccc3)[nH+]c(N3CCCC3)c2)cc1 ZINC000005490884 181249369 /nfs/dbraw/zinc/24/93/69/181249369.db2.gz BUAJFOUNHLRNOO-UHFFFAOYSA-N 1 2 300.405 5.016 10 0 DKAELO CCCCc1[nH+]c2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000005545705 181255392 /nfs/dbraw/zinc/25/53/92/181255392.db2.gz CCZIJZJPAPXCBN-UHFFFAOYSA-N 1 2 320.480 5.661 10 0 DKAELO Cc1ccc(OCCCn2c(CC(C)C)[nH+]c3ccccc32)cc1 ZINC000005547658 181255969 /nfs/dbraw/zinc/25/59/69/181255969.db2.gz GTNYRCVGIKVBAR-UHFFFAOYSA-N 1 2 322.452 5.012 10 0 DKAELO CCCCc1[nH+]c2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000005547666 181255964 /nfs/dbraw/zinc/25/59/64/181255964.db2.gz ZZMDBHKUGXNIAT-UHFFFAOYSA-N 1 2 306.453 5.352 10 0 DKAELO CCCCCc1[nH+]c2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000005547668 181256209 /nfs/dbraw/zinc/25/62/09/181256209.db2.gz FNFNTSFDEFKLHM-UHFFFAOYSA-N 1 2 320.480 5.743 10 0 DKAELO CCCCCc1[nH+]c2ccccc2n1Cc1cccc(Cl)c1 ZINC000005547673 181256248 /nfs/dbraw/zinc/25/62/48/181256248.db2.gz AHMSXWYMUBWDDW-UHFFFAOYSA-N 1 2 312.844 5.471 10 0 DKAELO CCCCCc1[nH+]c2ccccc2n1Cc1cc(C)ccc1C ZINC000005547674 181256150 /nfs/dbraw/zinc/25/61/50/181256150.db2.gz QKJYOEHVNUMGBY-UHFFFAOYSA-N 1 2 306.453 5.434 10 0 DKAELO CC(C)c1[nH+]c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000005547688 181256233 /nfs/dbraw/zinc/25/62/33/181256233.db2.gz MCOANMISUSGJDP-UHFFFAOYSA-N 1 2 319.235 5.515 10 0 DKAELO Cc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c2ccccc12 ZINC000005587770 181261449 /nfs/dbraw/zinc/26/14/49/181261449.db2.gz XICYNTCBFCVSDM-UHFFFAOYSA-N 1 2 302.299 5.306 10 0 DKAELO C[C@@H](Nc1ccc2ccccc2[nH+]1)c1ccc(Cl)cc1Cl ZINC000020013455 182177941 /nfs/dbraw/zinc/17/79/41/182177941.db2.gz GTYIOTPEZXNMRV-LLVKDONJSA-N 1 2 317.219 5.715 10 0 DKAELO C[C@H](Nc1ccc2ccccc2[nH+]1)c1ccc(Cl)cc1Cl ZINC000020013458 182177620 /nfs/dbraw/zinc/17/76/20/182177620.db2.gz GTYIOTPEZXNMRV-NSHDSACASA-N 1 2 317.219 5.715 10 0 DKAELO Fc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1Cl ZINC000020298819 182203991 /nfs/dbraw/zinc/20/39/91/182203991.db2.gz KZURZDSKHIDPFO-UHFFFAOYSA-N 1 2 307.155 5.424 10 0 DKAELO C[C@H]([NH2+]Cc1ccccc1F)c1c(Cl)ccc(F)c1Cl ZINC000035790382 337745562 /nfs/dbraw/zinc/74/55/62/337745562.db2.gz RIFMISXMHKRGBG-VIFPVBQESA-N 1 2 316.178 5.122 10 0 DKAELO C[C@@H]([NH2+]Cc1ccccc1F)c1c(Cl)ccc(F)c1Cl ZINC000035790386 337745598 /nfs/dbraw/zinc/74/55/98/337745598.db2.gz RIFMISXMHKRGBG-SECBINFHSA-N 1 2 316.178 5.122 10 0 DKAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccco1 ZINC000035791595 337745666 /nfs/dbraw/zinc/74/56/66/337745666.db2.gz CRQMUWRDMIIGRI-IUCAKERBSA-N 1 2 302.176 5.137 10 0 DKAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccco1 ZINC000035791599 337745636 /nfs/dbraw/zinc/74/56/36/337745636.db2.gz CRQMUWRDMIIGRI-BDAKNGLRSA-N 1 2 302.176 5.137 10 0 DKAELO Cc1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000039963821 183025629 /nfs/dbraw/zinc/02/56/29/183025629.db2.gz ALORTHXHSKPGSU-UHFFFAOYSA-N 1 2 302.299 5.306 10 0 DKAELO COc1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000039963823 183025871 /nfs/dbraw/zinc/02/58/71/183025871.db2.gz TYZUUSJNDNXBQO-UHFFFAOYSA-N 1 2 318.298 5.006 10 0 DKAELO COc1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000039963825 183025931 /nfs/dbraw/zinc/02/59/31/183025931.db2.gz KZAMRLZRJPIKPS-UHFFFAOYSA-N 1 2 318.298 5.006 10 0 DKAELO Cc1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000039963830 183025958 /nfs/dbraw/zinc/02/59/58/183025958.db2.gz DBCQBNJIOYCFGH-UHFFFAOYSA-N 1 2 302.299 5.306 10 0 DKAELO FC(F)(F)c1cccc2c(Nc3ccccc3Cl)cc[nH+]c21 ZINC000039963833 183026053 /nfs/dbraw/zinc/02/60/53/183026053.db2.gz NIBZPWRWMRWDQD-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO FC(F)(F)c1cccc2c(Nc3cccc(Cl)c3)cc[nH+]c21 ZINC000039963837 183025665 /nfs/dbraw/zinc/02/56/65/183025665.db2.gz CTHDXLKYDCTUAV-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO Cc1cccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1 ZINC000039963838 183025759 /nfs/dbraw/zinc/02/57/59/183025759.db2.gz NRJHGXDCPOHBMA-UHFFFAOYSA-N 1 2 302.299 5.306 10 0 DKAELO Cc1cc(C)cc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1 ZINC000039963839 183026179 /nfs/dbraw/zinc/02/61/79/183026179.db2.gz SWEBYKRSDQTCSP-UHFFFAOYSA-N 1 2 316.326 5.614 10 0 DKAELO Fc1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000039963843 183026144 /nfs/dbraw/zinc/02/61/44/183026144.db2.gz BOHOCGOTXHZTIX-UHFFFAOYSA-N 1 2 306.262 5.136 10 0 DKAELO Fc1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c(F)c1 ZINC000039963844 183026151 /nfs/dbraw/zinc/02/61/51/183026151.db2.gz YQPFVTYIYANYMD-UHFFFAOYSA-N 1 2 324.252 5.275 10 0 DKAELO Fc1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000039963845 183026063 /nfs/dbraw/zinc/02/60/63/183026063.db2.gz OOYZNUIULDCNNV-UHFFFAOYSA-N 1 2 306.262 5.136 10 0 DKAELO COc1cccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1 ZINC000039963846 183026073 /nfs/dbraw/zinc/02/60/73/183026073.db2.gz BMHZDDUWUNBOEW-UHFFFAOYSA-N 1 2 318.298 5.006 10 0 DKAELO CCc1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000039963847 183025712 /nfs/dbraw/zinc/02/57/12/183025712.db2.gz WUCIELHCLOEQBH-UHFFFAOYSA-N 1 2 316.326 5.560 10 0 DKAELO Cc1cccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1C ZINC000039963849 183025642 /nfs/dbraw/zinc/02/56/42/183025642.db2.gz PMYVDKJCLSJILO-UHFFFAOYSA-N 1 2 316.326 5.614 10 0 DKAELO Cc1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c(C)c1 ZINC000039963852 183026112 /nfs/dbraw/zinc/02/61/12/183026112.db2.gz JIFHIIQZGMGVAV-UHFFFAOYSA-N 1 2 316.326 5.614 10 0 DKAELO Fc1cc(F)cc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1 ZINC000039963869 183025661 /nfs/dbraw/zinc/02/56/61/183025661.db2.gz PORVKHNYAQLPSF-UHFFFAOYSA-N 1 2 324.252 5.275 10 0 DKAELO FC(F)(F)c1cccc2c(Nc3ccc(Cl)cc3)cc[nH+]c21 ZINC000039963871 183025739 /nfs/dbraw/zinc/02/57/39/183025739.db2.gz REVMZBSHAKBWJO-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)CC3CCCCC3)c2c1 ZINC000040177053 183044379 /nfs/dbraw/zinc/04/43/79/183044379.db2.gz DVTVOWMRNTUTGJ-UHFFFAOYSA-N 1 2 310.441 5.069 10 0 DKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)CCC3CCCCC3)c2c1 ZINC000040177057 183044420 /nfs/dbraw/zinc/04/44/20/183044420.db2.gz VDCGLLIQGZEIIQ-UHFFFAOYSA-N 1 2 324.468 5.459 10 0 DKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000040177064 183044406 /nfs/dbraw/zinc/04/44/06/183044406.db2.gz BXSNXMRXDPXFRF-UHFFFAOYSA-N 1 2 324.811 5.066 10 0 DKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3cccc(Cl)c3)c2c1 ZINC000040177073 183043877 /nfs/dbraw/zinc/04/38/77/183043877.db2.gz QZYKGKANXOSLHI-UHFFFAOYSA-N 1 2 324.811 5.066 10 0 DKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccc(C)c(C)c3)c2c1 ZINC000040177100 183044441 /nfs/dbraw/zinc/04/44/41/183044441.db2.gz MRPMFTWFPLACAX-UHFFFAOYSA-N 1 2 318.420 5.029 10 0 DKAELO Cc1ccc(C(C)C)c(OCCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000040224039 183046897 /nfs/dbraw/zinc/04/68/97/183046897.db2.gz DFQZPLYPONASBY-UHFFFAOYSA-N 1 2 322.452 5.164 10 0 DKAELO Cc1cc2[nH+]cn(CCOc3ccc(C(C)(C)C)cc3)c2cc1C ZINC000040224063 183046972 /nfs/dbraw/zinc/04/69/72/183046972.db2.gz ALMCFHSFARNQQQ-UHFFFAOYSA-N 1 2 322.452 5.030 10 0 DKAELO Cc1cc2[nH+]cn(CCCOc3ccc(C(C)C)cc3)c2cc1C ZINC000040224095 183047337 /nfs/dbraw/zinc/04/73/37/183047337.db2.gz YMSQUUCPNVRMEZ-UHFFFAOYSA-N 1 2 322.452 5.246 10 0 DKAELO Cc1cccc(C)c1OCCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000040224116 183047282 /nfs/dbraw/zinc/04/72/82/183047282.db2.gz HYPDPEUVIBVWOF-UHFFFAOYSA-N 1 2 322.452 5.129 10 0 DKAELO Cc1[nH+]c2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040224700 183046996 /nfs/dbraw/zinc/04/69/96/183046996.db2.gz OJGHWCAFKWJKFU-UHFFFAOYSA-N 1 2 322.452 5.111 10 0 DKAELO Cc1[nH+]c2ccccc2n1CCCCOc1ccc(C(C)C)cc1 ZINC000040224742 183046929 /nfs/dbraw/zinc/04/69/29/183046929.db2.gz AJBWOEJTVYYWDX-UHFFFAOYSA-N 1 2 322.452 5.327 10 0 DKAELO CCc1[nH+]c2ccccc2n1CCOc1cc(C)ccc1C(C)C ZINC000040227347 183047674 /nfs/dbraw/zinc/04/76/74/183047674.db2.gz KLGNRAUJOPVHMQ-UHFFFAOYSA-N 1 2 322.452 5.110 10 0 DKAELO CCc1[nH+]c2ccccc2n1CCCOc1ccccc1C(C)C ZINC000040227395 183047782 /nfs/dbraw/zinc/04/77/82/183047782.db2.gz RGBDEJYYZVILNY-UHFFFAOYSA-N 1 2 322.452 5.191 10 0 DKAELO CCc1[nH+]c2ccccc2n1CCCOc1ccc(C(C)C)cc1 ZINC000040227417 183047737 /nfs/dbraw/zinc/04/77/37/183047737.db2.gz IYVWFGFWXKGPFA-UHFFFAOYSA-N 1 2 322.452 5.191 10 0 DKAELO CCc1[nH+]c2ccccc2n1CCCCOc1c(C)cccc1C ZINC000040231131 183048006 /nfs/dbraw/zinc/04/80/06/183048006.db2.gz IIGHWIIGYLFBQG-UHFFFAOYSA-N 1 2 322.452 5.075 10 0 DKAELO CCc1[nH+]c2ccccc2n1CCCCOc1cc(C)cc(C)c1 ZINC000040231151 183048119 /nfs/dbraw/zinc/04/81/19/183048119.db2.gz QBJKLPDKIRXLJA-UHFFFAOYSA-N 1 2 322.452 5.075 10 0 DKAELO CC(C)c1[nH+]c2ccccc2n1CCOc1ccccc1C(C)C ZINC000040231246 183047902 /nfs/dbraw/zinc/04/79/02/183047902.db2.gz RFKNUVKAAOFEFQ-UHFFFAOYSA-N 1 2 322.452 5.362 10 0 DKAELO CC(C)c1[nH+]c2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040231267 183047854 /nfs/dbraw/zinc/04/78/54/183047854.db2.gz IOGOEELGPIOVJE-UHFFFAOYSA-N 1 2 322.452 5.362 10 0 DKAELO Cc1cccc(OCCCn2c3ccccc3[nH+]c2C(C)C)c1C ZINC000040231280 183047771 /nfs/dbraw/zinc/04/77/71/183047771.db2.gz BPUGTZAXYLISOP-UHFFFAOYSA-N 1 2 322.452 5.246 10 0 DKAELO Cc1ccc(OCCCn2c3ccccc3[nH+]c2C(C)C)c(C)c1 ZINC000040231282 183047909 /nfs/dbraw/zinc/04/79/09/183047909.db2.gz MOXOXYLNFSSJQC-UHFFFAOYSA-N 1 2 322.452 5.246 10 0 DKAELO Cc1cccc(C)c1OCCCn1c2ccccc2[nH+]c1C(C)C ZINC000040231283 183047893 /nfs/dbraw/zinc/04/78/93/183047893.db2.gz AALCJINOPJDEOY-UHFFFAOYSA-N 1 2 322.452 5.246 10 0 DKAELO Cc1ccc(C)c(OCCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231285 183047867 /nfs/dbraw/zinc/04/78/67/183047867.db2.gz ZJNQWOGXZCJSJK-UHFFFAOYSA-N 1 2 322.452 5.246 10 0 DKAELO Cc1cc(C)cc(OCCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231303 183047863 /nfs/dbraw/zinc/04/78/63/183047863.db2.gz WLAWFSGSCARNRB-UHFFFAOYSA-N 1 2 322.452 5.246 10 0 DKAELO Cc1ccc(OCCCn2c3ccccc3[nH+]c2C(C)C)cc1C ZINC000040231309 183047895 /nfs/dbraw/zinc/04/78/95/183047895.db2.gz HGTMKDLEMUNFDJ-UHFFFAOYSA-N 1 2 322.452 5.246 10 0 DKAELO CCc1ccc(OCCCn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000040231322 183048160 /nfs/dbraw/zinc/04/81/60/183048160.db2.gz NVOXGUDMISOKCU-UHFFFAOYSA-N 1 2 322.452 5.191 10 0 DKAELO CC(C)c1[nH+]c2ccccc2n1CCCCOc1ccccc1 ZINC000040231326 183047790 /nfs/dbraw/zinc/04/77/90/183047790.db2.gz PZQROYWCNMTYHM-UHFFFAOYSA-N 1 2 308.425 5.019 10 0 DKAELO COc1ccc(Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1 ZINC000040231434 183048394 /nfs/dbraw/zinc/04/83/94/183048394.db2.gz OEKULKYMMKUTGV-UHFFFAOYSA-N 1 2 320.436 5.141 10 0 DKAELO COc1ccccc1Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040231439 183048804 /nfs/dbraw/zinc/04/88/04/183048804.db2.gz PSVYFBUWGDLWTC-UHFFFAOYSA-N 1 2 320.436 5.141 10 0 DKAELO CC(C)c1ccc(OCCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000040231617 183048812 /nfs/dbraw/zinc/04/88/12/183048812.db2.gz VKJQVPPJJWWXRG-UHFFFAOYSA-N 1 2 320.436 5.116 10 0 DKAELO Cc1ccccc1OCCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000040239244 183048783 /nfs/dbraw/zinc/04/87/83/183048783.db2.gz RMOCEIMLBSSEOS-UHFFFAOYSA-N 1 2 322.452 5.111 10 0 DKAELO Cc1cccc(OCCCn2c3ccccc3[nH+]c2C(C)(C)C)c1 ZINC000040239256 183048534 /nfs/dbraw/zinc/04/85/34/183048534.db2.gz LASQISQKUKXCRS-UHFFFAOYSA-N 1 2 322.452 5.111 10 0 DKAELO Cc1ccc(OCCCn2c3ccccc3[nH+]c2C(C)(C)C)cc1 ZINC000040239262 183048485 /nfs/dbraw/zinc/04/84/85/183048485.db2.gz TUWOXPPWLDFCLF-UHFFFAOYSA-N 1 2 322.452 5.111 10 0 DKAELO CC(C)(C)c1[nH+]c2ccccc2n1CCCCOc1ccccc1 ZINC000040239273 183048555 /nfs/dbraw/zinc/04/85/55/183048555.db2.gz DZVRIWDOCRGLBK-UHFFFAOYSA-N 1 2 322.452 5.193 10 0 DKAELO CC(=O)c1ccc(Nc2cc[nH+]c3c(C)c(Cl)ccc23)cc1 ZINC000040358916 183056473 /nfs/dbraw/zinc/05/64/73/183056473.db2.gz XTDWHMPYPBDIQN-UHFFFAOYSA-N 1 2 310.784 5.143 10 0 DKAELO Cc1c(Cl)ccc2c(Nc3cccc4ccccc43)cc[nH+]c12 ZINC000040358926 183056172 /nfs/dbraw/zinc/05/61/72/183056172.db2.gz BHVFQKOTIVJCAR-UHFFFAOYSA-N 1 2 318.807 6.093 10 0 DKAELO Cc1c(Cl)ccc2c(Nc3ccccc3Cl)cc[nH+]c12 ZINC000040358936 183056201 /nfs/dbraw/zinc/05/62/01/183056201.db2.gz LRKVAIDYNDQVEQ-UHFFFAOYSA-N 1 2 303.192 5.594 10 0 DKAELO Cc1c(Cl)ccc2c(Nc3cccc(Cl)c3)cc[nH+]c12 ZINC000040358940 183056165 /nfs/dbraw/zinc/05/61/65/183056165.db2.gz NVMOJIZKXYNYJG-UHFFFAOYSA-N 1 2 303.192 5.594 10 0 DKAELO Cc1c(Cl)ccc2c(Nc3ccc(F)cc3F)cc[nH+]c12 ZINC000040358954 183056236 /nfs/dbraw/zinc/05/62/36/183056236.db2.gz CFACYCLJLJVQFF-UHFFFAOYSA-N 1 2 304.727 5.218 10 0 DKAELO Cc1c(Cl)cccc1Nc1cc[nH+]c2c(C)c(Cl)ccc12 ZINC000040358964 183056065 /nfs/dbraw/zinc/05/60/65/183056065.db2.gz BSXIEZHPIGMQDN-UHFFFAOYSA-N 1 2 317.219 5.902 10 0 DKAELO CC(=O)c1ccccc1Nc1cc[nH+]c2c(C)c(Cl)ccc12 ZINC000040358984 183056213 /nfs/dbraw/zinc/05/62/13/183056213.db2.gz MPVYBJLFWFYESI-UHFFFAOYSA-N 1 2 310.784 5.143 10 0 DKAELO CC(=O)c1cccc(Nc2cc[nH+]c3c(C)c(Cl)ccc23)c1 ZINC000040358986 183056087 /nfs/dbraw/zinc/05/60/87/183056087.db2.gz LYFKBSKMPKCCOL-UHFFFAOYSA-N 1 2 310.784 5.143 10 0 DKAELO Cc1c(Cl)ccc2c(Nc3cc(F)cc(F)c3)cc[nH+]c12 ZINC000040358990 183056372 /nfs/dbraw/zinc/05/63/72/183056372.db2.gz OBSBLONXUSTIFZ-UHFFFAOYSA-N 1 2 304.727 5.218 10 0 DKAELO Cc1c(Cl)ccc2c(Nc3ccc(Cl)cc3)cc[nH+]c12 ZINC000040358992 183056026 /nfs/dbraw/zinc/05/60/26/183056026.db2.gz ZFUVSZADWRXJMR-UHFFFAOYSA-N 1 2 303.192 5.594 10 0 DKAELO Cc1cc(Cl)cn2cc(-c3ccc(Cl)cc3Cl)[nH+]c12 ZINC000040383812 183059199 /nfs/dbraw/zinc/05/91/99/183059199.db2.gz OZXXNEQVJDZJQI-UHFFFAOYSA-N 1 2 311.599 5.270 10 0 DKAELO Cc1cc(Cl)cn2cc(-c3ccc(Cl)c(Cl)c3)[nH+]c12 ZINC000040383815 183059131 /nfs/dbraw/zinc/05/91/31/183059131.db2.gz VTDVNSXNSLKWDR-UHFFFAOYSA-N 1 2 311.599 5.270 10 0 DKAELO Cc1cc(Nc2cc(Cl)cc(Cl)c2)[nH+]c2ccccc12 ZINC000040400811 183061472 /nfs/dbraw/zinc/06/14/72/183061472.db2.gz ZGSTYXWHSFKUBV-UHFFFAOYSA-N 1 2 303.192 5.594 10 0 DKAELO Cc1cc(NCc2c(Cl)cccc2Cl)[nH+]c2ccccc12 ZINC000040400838 183061767 /nfs/dbraw/zinc/06/17/67/183061767.db2.gz SDXHFYOZPOEZEC-UHFFFAOYSA-N 1 2 317.219 5.462 10 0 DKAELO CCOCCCn1c2cc(Cl)ccc2[nH+]c1C1CCCCC1 ZINC000040403293 183061364 /nfs/dbraw/zinc/06/13/64/183061364.db2.gz KFWLKIZUIZHPEQ-UHFFFAOYSA-N 1 2 320.864 5.164 10 0 DKAELO Cc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000041054830 183159090 /nfs/dbraw/zinc/15/90/90/183159090.db2.gz IXLADKVQOLVKCX-UHFFFAOYSA-N 1 2 302.299 5.306 10 0 DKAELO COc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000041054831 183159613 /nfs/dbraw/zinc/15/96/13/183159613.db2.gz IIPSLQKWMVVTCI-UHFFFAOYSA-N 1 2 318.298 5.006 10 0 DKAELO COc1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000041054835 183158892 /nfs/dbraw/zinc/15/88/92/183158892.db2.gz KZRWJWZCNXXUGM-UHFFFAOYSA-N 1 2 318.298 5.006 10 0 DKAELO Cc1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000041054844 183159380 /nfs/dbraw/zinc/15/93/80/183159380.db2.gz GHIRINBYXYZFAL-UHFFFAOYSA-N 1 2 302.299 5.306 10 0 DKAELO FC(F)(F)c1ccc2c(Nc3ccccc3Cl)cc[nH+]c2c1 ZINC000041054848 183159643 /nfs/dbraw/zinc/15/96/43/183159643.db2.gz VYYGJAAOSXGGRF-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO FC(F)(F)c1ccc2c(Nc3cccc(Cl)c3)cc[nH+]c2c1 ZINC000041054854 183158844 /nfs/dbraw/zinc/15/88/44/183158844.db2.gz GUYPHHNGLTYYRX-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO Cc1cccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000041054856 183159027 /nfs/dbraw/zinc/15/90/27/183159027.db2.gz VWGGFRDSUJKUKP-UHFFFAOYSA-N 1 2 302.299 5.306 10 0 DKAELO Cc1cc(C)cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000041054858 183159676 /nfs/dbraw/zinc/15/96/76/183159676.db2.gz BZZWYJMNVJQBHV-UHFFFAOYSA-N 1 2 316.326 5.614 10 0 DKAELO Fc1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000041054866 183158853 /nfs/dbraw/zinc/15/88/53/183158853.db2.gz JBQMATNVSRZTLB-UHFFFAOYSA-N 1 2 306.262 5.136 10 0 DKAELO Fc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c(F)c1 ZINC000041054868 183159525 /nfs/dbraw/zinc/15/95/25/183159525.db2.gz WOMCHWBKAMLAGZ-UHFFFAOYSA-N 1 2 324.252 5.275 10 0 DKAELO Fc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000041054870 183159636 /nfs/dbraw/zinc/15/96/36/183159636.db2.gz HNGPLDKGEJHBHX-UHFFFAOYSA-N 1 2 306.262 5.136 10 0 DKAELO COc1cccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000041054872 183159516 /nfs/dbraw/zinc/15/95/16/183159516.db2.gz LZQYCPFSPVHLCY-UHFFFAOYSA-N 1 2 318.298 5.006 10 0 DKAELO CCc1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000041054874 183158972 /nfs/dbraw/zinc/15/89/72/183158972.db2.gz ZNCDIPMCWVFQQQ-UHFFFAOYSA-N 1 2 316.326 5.560 10 0 DKAELO Cc1cccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1C ZINC000041054878 183159014 /nfs/dbraw/zinc/15/90/14/183159014.db2.gz JWCDGQUZMGMKPB-UHFFFAOYSA-N 1 2 316.326 5.614 10 0 DKAELO Cc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c(C)c1 ZINC000041054884 183158802 /nfs/dbraw/zinc/15/88/02/183158802.db2.gz QONGWUGDTHSXPP-UHFFFAOYSA-N 1 2 316.326 5.614 10 0 DKAELO Fc1cc(F)cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000041054908 183159123 /nfs/dbraw/zinc/15/91/23/183159123.db2.gz IJODXMVTBXGNKH-UHFFFAOYSA-N 1 2 324.252 5.275 10 0 DKAELO FC(F)(F)c1ccc2c(Nc3ccc(Cl)cc3)cc[nH+]c2c1 ZINC000041054910 183159594 /nfs/dbraw/zinc/15/95/94/183159594.db2.gz BLXJNQVLOSWOLD-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO Clc1ccc2c(Nc3cccc4ccccc43)cc[nH+]c2c1 ZINC000041055049 183159506 /nfs/dbraw/zinc/15/95/06/183159506.db2.gz SQDUSAGFODETGU-UHFFFAOYSA-N 1 2 304.780 5.785 10 0 DKAELO Cc1cc(Cl)ccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000041055053 183158906 /nfs/dbraw/zinc/15/89/06/183158906.db2.gz MDORUXATAMPEBA-UHFFFAOYSA-N 1 2 303.192 5.594 10 0 DKAELO Cc1c(Cl)cccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000041055080 183159094 /nfs/dbraw/zinc/15/90/94/183159094.db2.gz JGUXUHXTNZMKNF-UHFFFAOYSA-N 1 2 303.192 5.594 10 0 DKAELO FC(F)(F)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000041055081 183158966 /nfs/dbraw/zinc/15/89/66/183158966.db2.gz XIYWDMQDQKXOMR-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO FC(F)(F)c1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000041055083 183159434 /nfs/dbraw/zinc/15/94/34/183159434.db2.gz SLBTVPWSHPOYMT-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO FC(F)(F)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000041055093 183159167 /nfs/dbraw/zinc/15/91/67/183159167.db2.gz SOIWWQKJXGXAFN-UHFFFAOYSA-N 1 2 322.717 5.651 10 0 DKAELO Cc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC000041055215 183159588 /nfs/dbraw/zinc/15/95/88/183159588.db2.gz CKMVTFRWPJFLAM-UHFFFAOYSA-N 1 2 313.198 5.049 10 0 DKAELO Cc1ccccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC000041055233 183160410 /nfs/dbraw/zinc/16/04/10/183160410.db2.gz QHGODQJFVQNNCI-UHFFFAOYSA-N 1 2 313.198 5.049 10 0 DKAELO Cc1cccc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC000041055244 183160429 /nfs/dbraw/zinc/16/04/29/183160429.db2.gz QSMVVTWWPIADGM-UHFFFAOYSA-N 1 2 313.198 5.049 10 0 DKAELO Cc1cc(Cl)ccc1Nc1cc[nH+]c2c(C)c(Cl)ccc12 ZINC000041055506 183160332 /nfs/dbraw/zinc/16/03/32/183160332.db2.gz VYRCXZHSHHLGRP-UHFFFAOYSA-N 1 2 317.219 5.902 10 0 DKAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1nccs1 ZINC000080266524 341271697 /nfs/dbraw/zinc/27/16/97/341271697.db2.gz MYJIXEZNINVMDB-YUMQZZPRSA-N 1 2 319.232 5.001 10 0 DKAELO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1c(Cl)ccc(F)c1Cl ZINC000080266526 341271678 /nfs/dbraw/zinc/27/16/78/341271678.db2.gz MYJIXEZNINVMDB-SFYZADRCSA-N 1 2 319.232 5.001 10 0 DKAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1nccs1 ZINC000080266530 341271764 /nfs/dbraw/zinc/27/17/64/341271764.db2.gz MYJIXEZNINVMDB-JGVFFNPUSA-N 1 2 319.232 5.001 10 0 DKAELO C[C@@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)c1nccs1 ZINC000080266533 341271734 /nfs/dbraw/zinc/27/17/34/341271734.db2.gz MYJIXEZNINVMDB-HTQZYQBOSA-N 1 2 319.232 5.001 10 0 DKAELO CCCCc1cccc(-c2c[nH+]c(C)nc2NC2CCCC2)c1 ZINC000090429030 185295554 /nfs/dbraw/zinc/29/55/54/185295554.db2.gz SAFXUQXGJZLMGA-UHFFFAOYSA-N 1 2 309.457 5.149 10 0 DKAELO CC(C)n1cc[nH+]c1CSCc1csc(C2CCCC2)n1 ZINC000175295006 332884161 /nfs/dbraw/zinc/88/41/61/332884161.db2.gz IRYPTUSGHVEGRB-UHFFFAOYSA-N 1 2 321.515 5.012 10 0 DKAELO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ncc(C(C)(C)C)o1 ZINC000177410866 340440114 /nfs/dbraw/zinc/44/01/14/340440114.db2.gz MHQMJCCNSIZYEY-GJZGRUSLSA-N 1 2 322.452 5.537 10 0 DKAELO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1ncc(C(C)(C)C)o1 ZINC000177410921 340440163 /nfs/dbraw/zinc/44/01/63/340440163.db2.gz MHQMJCCNSIZYEY-HUUCEWRRSA-N 1 2 322.452 5.537 10 0 DKAELO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000177411464 340440215 /nfs/dbraw/zinc/44/02/15/340440215.db2.gz UKTVDENVNXJDQW-GJZGRUSLSA-N 1 2 314.473 5.507 10 0 DKAELO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ncc(C(C)(C)C)o1 ZINC000177437155 525606519 /nfs/dbraw/zinc/60/65/19/525606519.db2.gz FFGCPYGXKHTIIO-WDEREUQCSA-N 1 2 324.827 5.176 10 0 DKAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221783938 333366334 /nfs/dbraw/zinc/36/63/34/333366334.db2.gz HYJUOVGLKBPDEM-DTWKUNHWSA-N 1 2 304.242 5.368 10 0 DKAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221783997 333366434 /nfs/dbraw/zinc/36/64/34/333366434.db2.gz HYJUOVGLKBPDEM-IUCAKERBSA-N 1 2 304.242 5.368 10 0 DKAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221784055 333366324 /nfs/dbraw/zinc/36/63/24/333366324.db2.gz HYJUOVGLKBPDEM-RKDXNWHRSA-N 1 2 304.242 5.368 10 0 DKAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221784110 333366391 /nfs/dbraw/zinc/36/63/91/333366391.db2.gz HYJUOVGLKBPDEM-BDAKNGLRSA-N 1 2 304.242 5.368 10 0 DKAELO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1c(Cl)ccc(F)c1Cl ZINC000513649465 340417079 /nfs/dbraw/zinc/41/70/79/340417079.db2.gz XWVWRGOHCMWVTP-SSDOTTSWSA-N 1 2 322.594 5.230 10 0 DKAELO FC(F)(C[C@H]1c2ccccc2-c2c[nH+]cn21)C1CCCCC1 ZINC000584638622 337379708 /nfs/dbraw/zinc/37/97/08/337379708.db2.gz DFLNKWBSNIFFKH-INIZCTEOSA-N 1 2 302.368 5.059 10 0 DKAELO FC(F)(C[C@@H]1c2ccccc2-c2c[nH+]cn21)C1CCCCC1 ZINC000584638624 337379627 /nfs/dbraw/zinc/37/96/27/337379627.db2.gz DFLNKWBSNIFFKH-MRXNPFEDSA-N 1 2 302.368 5.059 10 0 DKAELO