smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCC[C@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000001171 564118113 /nfs/dbraw/zinc/11/81/13/564118113.db2.gz YNNUSGIPVFPVBX-SFTDATJTSA-N 1 1 343.898 5.104 40 0 EKABMO Clc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000000319460 563996768 /nfs/dbraw/zinc/99/67/68/563996768.db2.gz GFEOGPSAFBRRPN-UHFFFAOYSA-N 1 1 325.843 5.399 40 0 EKABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NC2CCCCC2)cc1 ZINC000000319866 563996775 /nfs/dbraw/zinc/99/67/75/563996775.db2.gz YMKBXRUTJNCZAI-UHFFFAOYSA-N 1 1 335.451 5.063 40 0 EKABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2NC1CCCCC1 ZINC000000319905 563996837 /nfs/dbraw/zinc/99/68/37/563996837.db2.gz OHVJZNRVXCXTBD-UHFFFAOYSA-N 1 1 339.870 5.708 40 0 EKABMO COc1ccc(-c2[nH+]c3cc(C)ccn3c2NC2CCCCC2)cc1 ZINC000000319914 563996832 /nfs/dbraw/zinc/99/68/32/563996832.db2.gz IRYZNQKWUNMLSQ-UHFFFAOYSA-N 1 1 335.451 5.063 40 0 EKABMO Clc1ccc2[nH+]c(-c3ccccc3)c(NC3CCCCC3)n2c1 ZINC000000319964 563996823 /nfs/dbraw/zinc/99/68/23/563996823.db2.gz VWLGFCIJIYYMMH-UHFFFAOYSA-N 1 1 325.843 5.399 40 0 EKABMO Fc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)cc1 ZINC000000319966 563996839 /nfs/dbraw/zinc/99/68/39/563996839.db2.gz ANKIHCSFKURNSN-UHFFFAOYSA-N 1 1 343.833 5.538 40 0 EKABMO Cc1cccn2c(NC3CCCCC3)c(-c3ccc(Cl)cc3)[nH+]c12 ZINC000000320002 563996827 /nfs/dbraw/zinc/99/68/27/563996827.db2.gz ODTDVUBPDJBCLV-UHFFFAOYSA-N 1 1 339.870 5.708 40 0 EKABMO COc1ccc(-c2[nH+]c3c(C)cccn3c2NC2CCCCC2)cc1 ZINC000000320008 563996834 /nfs/dbraw/zinc/99/68/34/563996834.db2.gz APBNJTHRANIAMD-UHFFFAOYSA-N 1 1 335.451 5.063 40 0 EKABMO Cc1ccc2[nH+]c(-c3ccc(N(C)C)cc3)c(NC3CCCCC3)n2c1 ZINC000000320037 563996808 /nfs/dbraw/zinc/99/68/08/563996808.db2.gz FCUOVHYMWRJGNR-UHFFFAOYSA-N 1 1 348.494 5.120 40 0 EKABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)cc1 ZINC000000320043 209535546 /nfs/dbraw/zinc/53/55/46/209535546.db2.gz VYZMYGNLFOTRQC-UHFFFAOYSA-N 1 1 335.451 5.063 40 0 EKABMO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)cc1 ZINC000000412141 563996960 /nfs/dbraw/zinc/99/69/60/563996960.db2.gz BSQJFTGZMCYPQX-UHFFFAOYSA-N 1 1 325.843 5.318 40 0 EKABMO Fc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)cc1 ZINC000000412142 563996965 /nfs/dbraw/zinc/99/69/65/563996965.db2.gz WULDGGKXWNWSJS-UHFFFAOYSA-N 1 1 329.806 5.148 40 0 EKABMO CC(C)(C)Nc1c(-c2ccc(Cl)cc2)[nH+]c2ccc(Cl)cn21 ZINC000000412145 563996974 /nfs/dbraw/zinc/99/69/74/563996974.db2.gz GHKTTZPXDPUUDY-UHFFFAOYSA-N 1 1 334.250 5.519 40 0 EKABMO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)cc1 ZINC000000412146 563996950 /nfs/dbraw/zinc/99/69/50/563996950.db2.gz HJKSAXUQEODMFO-UHFFFAOYSA-N 1 1 341.842 5.105 40 0 EKABMO Cc1ccc2[nH+]c(-c3cccs3)c(NCc3ccc(F)cc3)n2c1 ZINC000000413710 563997234 /nfs/dbraw/zinc/99/72/34/563997234.db2.gz HCSMDTRXOMGAFW-UHFFFAOYSA-N 1 1 337.423 5.122 40 0 EKABMO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccco2)cc1 ZINC000000413726 563997205 /nfs/dbraw/zinc/99/72/05/563997205.db2.gz CPSQLGSFTGUBMF-UHFFFAOYSA-N 1 1 337.810 5.168 40 0 EKABMO Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(NCCC(C)C)n2c1 ZINC000000417101 563997130 /nfs/dbraw/zinc/99/71/30/563997130.db2.gz RDHIVFRABUVJDN-UHFFFAOYSA-N 1 1 327.859 5.421 40 0 EKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCCC(C)C)cc1 ZINC000000417107 563997112 /nfs/dbraw/zinc/99/71/12/563997112.db2.gz ROUGCPJTWKFCFB-UHFFFAOYSA-N 1 1 343.858 5.121 40 0 EKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)cc1 ZINC000000417119 209581343 /nfs/dbraw/zinc/58/13/43/209581343.db2.gz DIXIAYKQWUCQRF-UHFFFAOYSA-N 1 1 341.842 5.018 40 0 EKABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2NCCC(C)C ZINC000000417131 563997110 /nfs/dbraw/zinc/99/71/10/563997110.db2.gz GTCQWBVAYNXGNA-UHFFFAOYSA-N 1 1 327.859 5.421 40 0 EKABMO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(NCCC(C)C)n21 ZINC000000417139 563997138 /nfs/dbraw/zinc/99/71/38/563997138.db2.gz VGJWUFJOPHFMFK-UHFFFAOYSA-N 1 1 327.859 5.421 40 0 EKABMO CCOc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000000417859 563997338 /nfs/dbraw/zinc/99/73/38/563997338.db2.gz XTXWNFCHAUYINM-UHFFFAOYSA-N 1 1 335.451 5.145 40 0 EKABMO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(NC3CCCC3)n21 ZINC000000417885 563997322 /nfs/dbraw/zinc/99/73/22/563997322.db2.gz VHWBANHSGOVKSV-UHFFFAOYSA-N 1 1 325.843 5.318 40 0 EKABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(Cl)cc1)c2NC1CCCC1 ZINC000000417896 563997315 /nfs/dbraw/zinc/99/73/15/563997315.db2.gz HVVMLEQJXNHZCK-UHFFFAOYSA-N 1 1 325.843 5.318 40 0 EKABMO C[N@H+]1CCC[C@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000896472 564118091 /nfs/dbraw/zinc/11/80/91/564118091.db2.gz YNNUSGIPVFPVBX-LEWJYISDSA-N 1 1 343.898 5.104 40 0 EKABMO CC[NH+](CC)CCC[C@H](C)Nc1c(C)cnc2cc(Cl)c(C)cc21 ZINC000001555461 563391787 /nfs/dbraw/zinc/39/17/87/563391787.db2.gz VVPGOCHOGLCENW-INIZCTEOSA-N 1 1 347.934 5.427 40 0 EKABMO CC[NH+](CC)CCC[C@H](C)Nc1c(C)cnc2cc(Cl)ccc21 ZINC000001577157 563393565 /nfs/dbraw/zinc/39/35/65/563393565.db2.gz AFEAUYYSRPFHIA-HNNXBMFYSA-N 1 1 333.907 5.119 40 0 EKABMO O=C(C[NH+]1CCCCC1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001594906 209765392 /nfs/dbraw/zinc/76/53/92/209765392.db2.gz UOABAPJUJLLAFB-SNAWJCMRSA-N 1 1 339.866 5.179 40 0 EKABMO COc1ccc([C@H](CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000001615849 563396776 /nfs/dbraw/zinc/39/67/76/563396776.db2.gz ZXMNEGRPJLYERL-MZLICYQSSA-N 1 1 349.518 5.339 40 0 EKABMO COc1ccc(/C(=C/C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000001615884 563396716 /nfs/dbraw/zinc/39/67/16/563396716.db2.gz UNGBWSHKZGGGND-NMGFGJDYSA-N 1 1 347.502 5.249 40 0 EKABMO c1ccc(C[N@H+]2CCCC(c3ccccc3)=C2c2ccccc2)cc1 ZINC000001664751 563400307 /nfs/dbraw/zinc/40/03/07/563400307.db2.gz YQMNQLYDJFUMJK-UHFFFAOYSA-N 1 1 325.455 5.851 40 0 EKABMO C[N@H+]1CCC(=C(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000001681675 563402732 /nfs/dbraw/zinc/40/27/32/563402732.db2.gz GWAHCEODORVIBC-DEOSSOPVSA-N 1 1 339.482 5.608 40 0 EKABMO Cc1cnc2cc(Cl)ccc2c1NCC[NH+](CC(C)C)CC(C)C ZINC000001712668 563406453 /nfs/dbraw/zinc/40/64/53/563406453.db2.gz RGLMFCRDXLXIBE-UHFFFAOYSA-N 1 1 347.934 5.223 40 0 EKABMO CCC1(C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2Sc2ccccc21 ZINC000001713962 563406519 /nfs/dbraw/zinc/40/65/19/563406519.db2.gz DNNSAMRVVMKCTM-KRWDZBQOSA-N 1 1 337.532 5.579 40 0 EKABMO CCCCC[C@H]1[C@@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000001802113 563412876 /nfs/dbraw/zinc/41/28/76/563412876.db2.gz YIBLLNKVEAJJCJ-GSPCLOLRSA-N 1 1 337.507 5.362 40 0 EKABMO CC[NH+](CC)CCC[C@@H](C)Nc1c(C)cnc2cc(Cl)ccc21 ZINC000001848642 564130222 /nfs/dbraw/zinc/13/02/22/564130222.db2.gz AFEAUYYSRPFHIA-OAHLLOKOSA-N 1 1 333.907 5.119 40 0 EKABMO C[N@H+]1CCC(=C(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000002044725 563419465 /nfs/dbraw/zinc/41/94/65/563419465.db2.gz GWAHCEODORVIBC-XMMPIXPASA-N 1 1 339.482 5.608 40 0 EKABMO c1[nH]c2ccccc2c1CCCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000002541533 563439907 /nfs/dbraw/zinc/43/99/07/563439907.db2.gz AACJICLCLVMZKK-UHFFFAOYSA-N 1 1 330.475 5.280 40 0 EKABMO C[N@H+]1CCC[C@@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000003830574 210078800 /nfs/dbraw/zinc/07/88/00/210078800.db2.gz YNNUSGIPVFPVBX-RTWAWAEBSA-N 1 1 343.898 5.104 40 0 world EKABMO CCCCC[C@H]1[C@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000004011380 210100356 /nfs/dbraw/zinc/10/03/56/210100356.db2.gz YIBLLNKVEAJJCJ-WBADGQHESA-N 1 1 337.507 5.362 40 0 EKABMO CCCCC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000004011381 210099877 /nfs/dbraw/zinc/09/98/77/210099877.db2.gz YIBLLNKVEAJJCJ-BXXSPATCSA-N 1 1 337.507 5.362 40 0 EKABMO CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004143644 564026590 /nfs/dbraw/zinc/02/65/90/564026590.db2.gz QTCCWCRPTWVSSV-USSLWURLSA-N 1 1 337.507 5.074 40 0 EKABMO CC(C)C1(O)[C@@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004143645 210132869 /nfs/dbraw/zinc/13/28/69/210132869.db2.gz QTCCWCRPTWVSSV-CZQWAENCSA-N 1 1 337.507 5.074 40 0 EKABMO CC(C)C1(O)[C@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004143646 210132123 /nfs/dbraw/zinc/13/21/23/210132123.db2.gz QTCCWCRPTWVSSV-ZJJAWJATSA-N 1 1 337.507 5.074 40 0 EKABMO CCCC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416429 563502485 /nfs/dbraw/zinc/50/24/85/563502485.db2.gz FEJCWBIFNFWDAV-PMACEKPBSA-N 1 1 331.887 5.237 40 0 EKABMO CCCC[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416430 210190384 /nfs/dbraw/zinc/19/03/84/210190384.db2.gz FEJCWBIFNFWDAV-UXHICEINSA-N 1 1 331.887 5.237 40 0 EKABMO CCCCOC[N@H+](C[C@H](CC)CCCC)C[C@@H](CC)CCCC ZINC000004416563 210190159 /nfs/dbraw/zinc/19/01/59/210190159.db2.gz RWDHUSBRENEAAI-OYRHEFFESA-N 1 1 327.597 6.495 40 0 EKABMO CCC1(C[C@H]2CCC[N@@H+](C)C2)c2ccccc2Sc2ccccc21 ZINC000004895977 563514541 /nfs/dbraw/zinc/51/45/41/563514541.db2.gz DNNSAMRVVMKCTM-QGZVFWFLSA-N 1 1 337.532 5.579 40 0 EKABMO COc1ccc([C@@H](CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934856 210328417 /nfs/dbraw/zinc/32/84/17/210328417.db2.gz ZXMNEGRPJLYERL-SKPFHBQLSA-N 1 1 349.518 5.339 40 0 EKABMO CCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccc(C)cc1)C2 ZINC000005059311 564005775 /nfs/dbraw/zinc/00/57/75/564005775.db2.gz WQOSKDXGMMHOKK-FRIKZZABSA-N 1 1 335.491 5.304 40 0 EKABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000006870041 563589801 /nfs/dbraw/zinc/58/98/01/563589801.db2.gz BKEGWSRFXHWYDI-UHFFFAOYSA-N 1 1 348.837 5.173 40 0 EKABMO Cc1ccc(C(=O)CN(c2cccc(C)c2C)C2=[NH+]CCCC2)c(C)c1 ZINC000008410411 564035628 /nfs/dbraw/zinc/03/56/28/564035628.db2.gz GJRXNZBUNPSNBV-UHFFFAOYSA-N 1 1 348.490 5.192 40 0 EKABMO Cc1ccc(C)c(N(CC(=O)c2cccs2)C2=[NH+]CCCCC2)c1 ZINC000008410771 262520773 /nfs/dbraw/zinc/52/07/73/262520773.db2.gz HZQMJWCMEPAIOL-UHFFFAOYSA-N 1 1 340.492 5.027 40 0 EKABMO CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000008412978 563629765 /nfs/dbraw/zinc/62/97/65/563629765.db2.gz RRPABRBHCANZME-UHFFFAOYSA-N 1 1 348.837 5.091 40 0 EKABMO O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1ccc(Cl)cc1 ZINC000008436114 564035736 /nfs/dbraw/zinc/03/57/36/564035736.db2.gz IOGGCZHDQBUAAW-UHFFFAOYSA-N 1 1 340.854 5.002 40 0 EKABMO CC[NH+](CC)CCC[C@@H](C)Nc1c(C)cnc2cc(Cl)c(C)cc21 ZINC000008614582 563633254 /nfs/dbraw/zinc/63/32/54/563633254.db2.gz VVPGOCHOGLCENW-MRXNPFEDSA-N 1 1 347.934 5.427 40 0 EKABMO Cc1ccccc1/C=C/C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000013532660 564118107 /nfs/dbraw/zinc/11/81/07/564118107.db2.gz FJFLDQXXCJUUBR-XECBNOGISA-N 1 1 335.491 5.014 40 0 in-vivo EKABMO CC(C)c1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569701 564020181 /nfs/dbraw/zinc/02/01/81/564020181.db2.gz FOBVADCCOYIFJW-UHFFFAOYSA-N 1 1 336.504 5.469 40 0 EKABMO CC(C)c1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569701 564020180 /nfs/dbraw/zinc/02/01/80/564020180.db2.gz FOBVADCCOYIFJW-UHFFFAOYSA-N 1 1 336.504 5.469 40 0 EKABMO Cc1cc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c(C)s1 ZINC000013569764 564020207 /nfs/dbraw/zinc/02/02/07/564020207.db2.gz WLAJLXDPZYGDTN-UHFFFAOYSA-N 1 1 328.506 5.024 40 0 EKABMO Cc1cc(C[N@H+](Cc2cccs2)Cc2cccnc2)c(C)s1 ZINC000013569764 564020206 /nfs/dbraw/zinc/02/02/06/564020206.db2.gz WLAJLXDPZYGDTN-UHFFFAOYSA-N 1 1 328.506 5.024 40 0 EKABMO CCCc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)s1 ZINC000013569774 564020210 /nfs/dbraw/zinc/02/02/10/564020210.db2.gz JWMLIZHBEFHEAZ-UHFFFAOYSA-N 1 1 342.533 5.360 40 0 EKABMO CCCc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)s1 ZINC000013569774 564020209 /nfs/dbraw/zinc/02/02/09/564020209.db2.gz JWMLIZHBEFHEAZ-UHFFFAOYSA-N 1 1 342.533 5.360 40 0 EKABMO CCCCC[C@H]1C(=O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013574140 564125473 /nfs/dbraw/zinc/12/54/73/564125473.db2.gz MZWDNWGOALGHNY-QZNHQXDQSA-N 1 1 335.491 5.570 40 0 EKABMO CCCCC[C@H]1C(=O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000013574140 564125472 /nfs/dbraw/zinc/12/54/72/564125472.db2.gz MZWDNWGOALGHNY-QZNHQXDQSA-N 1 1 335.491 5.570 40 0 EKABMO CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000013756367 563721001 /nfs/dbraw/zinc/72/10/01/563721001.db2.gz QTCCWCRPTWVSSV-ZFKQBZJWSA-N 1 1 337.507 5.074 40 0 EKABMO CC(C)Oc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC000013989226 564020754 /nfs/dbraw/zinc/02/07/54/564020754.db2.gz LBUHFPLHHYESGA-UHFFFAOYSA-N 1 1 346.474 5.071 40 0 EKABMO Cc1oc2ccccc2c1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000013989241 564020739 /nfs/dbraw/zinc/02/07/39/564020739.db2.gz BCWNBROWRKUCSM-UHFFFAOYSA-N 1 1 342.442 5.339 40 0 EKABMO CCCC1(O)[C@@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000016512172 211911021 /nfs/dbraw/zinc/91/10/21/211911021.db2.gz QYKFGQQFZQYMFW-CZQWAENCSA-N 1 1 337.507 5.218 40 0 EKABMO O=C(C[NH+]1CCCCC1)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000017157565 563839243 /nfs/dbraw/zinc/83/92/43/563839243.db2.gz UOABAPJUJLLAFB-PLNGDYQASA-N 1 1 339.866 5.179 40 0 EKABMO COc1ccc(/C(=C\C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378399 563843657 /nfs/dbraw/zinc/84/36/57/563843657.db2.gz UNGBWSHKZGGGND-UWLAKRBBSA-N 1 1 347.502 5.249 40 0 EKABMO Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@H](C)c3ccccc3)[NH2+]2)n1 ZINC000019240269 202001668 /nfs/dbraw/zinc/00/16/68/202001668.db2.gz ZLPSSFCVBZYTFX-KBRIMQKVSA-N 1 1 340.517 5.245 40 0 EKABMO Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@@H](C)c3ccccc3)[NH2+]2)n1 ZINC000019240270 212008233 /nfs/dbraw/zinc/00/82/33/212008233.db2.gz ZLPSSFCVBZYTFX-IAOVAPTHSA-N 1 1 340.517 5.245 40 0 EKABMO c1coc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1 ZINC000019342325 202006388 /nfs/dbraw/zinc/00/63/88/202006388.db2.gz HDCDQZCUGUXTPS-INIZCTEOSA-N 1 1 328.437 5.113 40 0 EKABMO c1coc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1 ZINC000019342325 202006383 /nfs/dbraw/zinc/00/63/83/202006383.db2.gz HDCDQZCUGUXTPS-INIZCTEOSA-N 1 1 328.437 5.113 40 0 EKABMO c1coc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1 ZINC000019342328 212018601 /nfs/dbraw/zinc/01/86/01/212018601.db2.gz HDCDQZCUGUXTPS-MRXNPFEDSA-N 1 1 328.437 5.113 40 0 EKABMO c1coc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1 ZINC000019342328 212018598 /nfs/dbraw/zinc/01/85/98/212018598.db2.gz HDCDQZCUGUXTPS-MRXNPFEDSA-N 1 1 328.437 5.113 40 0 EKABMO C[C@@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1-c1ccco1)c1ccccc1 ZINC000019455981 212030139 /nfs/dbraw/zinc/03/01/39/212030139.db2.gz RWYDAPCJGZLPNS-INIZCTEOSA-N 1 1 345.446 5.058 40 0 EKABMO C[C@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1-c1ccco1)c1ccccc1 ZINC000019455983 212029576 /nfs/dbraw/zinc/02/95/76/212029576.db2.gz RWYDAPCJGZLPNS-MRXNPFEDSA-N 1 1 345.446 5.058 40 0 EKABMO Cc1nc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc(F)cc2)sc1C ZINC000019559870 202011139 /nfs/dbraw/zinc/01/11/39/202011139.db2.gz GBJVDESBZLVFKX-QGZVFWFLSA-N 1 1 346.496 5.034 40 0 EKABMO Cc1nc([C@H](Cc2ccsc2)[NH2+]Cc2ccc(F)cc2)sc1C ZINC000019559873 212042173 /nfs/dbraw/zinc/04/21/73/212042173.db2.gz GBJVDESBZLVFKX-KRWDZBQOSA-N 1 1 346.496 5.034 40 0 EKABMO Cc1nc([C@@H](Cc2ccsc2)[NH2+]Cc2ccccc2F)sc1C ZINC000019559924 212042992 /nfs/dbraw/zinc/04/29/92/212042992.db2.gz GLWYSOFRZAACRH-QGZVFWFLSA-N 1 1 346.496 5.034 40 0 EKABMO Cc1nc([C@H](Cc2ccsc2)[NH2+]Cc2ccccc2F)sc1C ZINC000019559927 202011218 /nfs/dbraw/zinc/01/12/18/202011218.db2.gz GLWYSOFRZAACRH-KRWDZBQOSA-N 1 1 346.496 5.034 40 0 EKABMO CCCCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031613802 202207717 /nfs/dbraw/zinc/20/77/17/202207717.db2.gz YTQHJNOYQLTNLW-HXUWFJFHSA-N 1 1 331.887 5.066 40 0 EKABMO CCCCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000031613805 563912744 /nfs/dbraw/zinc/91/27/44/563912744.db2.gz YTQHJNOYQLTNLW-FQEVSTJZSA-N 1 1 331.887 5.066 40 0 EKABMO C[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000031792481 563913010 /nfs/dbraw/zinc/91/30/10/563913010.db2.gz OVRKXSYIXORYFJ-INIZCTEOSA-N 1 1 339.866 5.663 40 0 EKABMO C[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000031792486 563912987 /nfs/dbraw/zinc/91/29/87/563912987.db2.gz OVRKXSYIXORYFJ-MRXNPFEDSA-N 1 1 339.866 5.663 40 0 EKABMO O[C@@H](C[N@@H+](Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000031923782 563913253 /nfs/dbraw/zinc/91/32/53/563913253.db2.gz ORLHMXYPJWTLGW-NRFANRHFSA-N 1 1 343.898 5.208 40 0 EKABMO O[C@H](C[N@@H+](Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000031923785 563913240 /nfs/dbraw/zinc/91/32/40/563913240.db2.gz ORLHMXYPJWTLGW-OAQYLSRUSA-N 1 1 343.898 5.208 40 0 EKABMO CC[NH+](CC)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000031923820 563913251 /nfs/dbraw/zinc/91/32/51/563913251.db2.gz QJWXXLPUXDJRCB-QGZVFWFLSA-N 1 1 336.262 5.259 40 0 EKABMO CC[NH+](CC)[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000031923822 563913205 /nfs/dbraw/zinc/91/32/05/563913205.db2.gz QJWXXLPUXDJRCB-KRWDZBQOSA-N 1 1 336.262 5.259 40 0 EKABMO CC[C@@H]([NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031924541 202213415 /nfs/dbraw/zinc/21/34/15/202213415.db2.gz NVERXPXBCCTSMD-FGZHOGPDSA-N 1 1 329.443 5.352 40 0 EKABMO CC[C@H]([NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031924543 563913191 /nfs/dbraw/zinc/91/31/91/563913191.db2.gz NVERXPXBCCTSMD-FCHUYYIVSA-N 1 1 329.443 5.352 40 0 EKABMO CC[C@@H]([NH2+][C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031924545 202212979 /nfs/dbraw/zinc/21/29/79/202212979.db2.gz NVERXPXBCCTSMD-YADHBBJMSA-N 1 1 329.443 5.352 40 0 EKABMO CC[C@H]([NH2+][C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000031924548 202213178 /nfs/dbraw/zinc/21/31/78/202213178.db2.gz NVERXPXBCCTSMD-VXKWHMMOSA-N 1 1 329.443 5.352 40 0 EKABMO CCCC1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000036372529 213092185 /nfs/dbraw/zinc/09/21/85/213092185.db2.gz QYKFGQQFZQYMFW-USSLWURLSA-N 1 1 337.507 5.218 40 0 EKABMO CCCC1(O)[C@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000036372530 213092077 /nfs/dbraw/zinc/09/20/77/213092077.db2.gz QYKFGQQFZQYMFW-ZJJAWJATSA-N 1 1 337.507 5.218 40 0 EKABMO Clc1ccc(C[N@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 ZINC000049168817 564032546 /nfs/dbraw/zinc/03/25/46/564032546.db2.gz SLPFHDQXPQWUHQ-ZDUSSCGKSA-N 1 1 347.245 5.124 40 0 biogenic,in-vitro EKABMO C[C@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000057294279 564133231 /nfs/dbraw/zinc/13/32/31/564133231.db2.gz UZUCCSMLMFNSDR-PNTFMKQHSA-N 1 1 339.482 6.134 40 0 EKABMO C[C@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000057294283 564133202 /nfs/dbraw/zinc/13/32/02/564133202.db2.gz UZUCCSMLMFNSDR-LQGLAIQGSA-N 1 1 339.482 6.134 40 0 EKABMO C[N@@H+](Cc1c2cccnc2[nH]c1-c1ccc(F)cc1)C1CCCCC1 ZINC000057762051 564035286 /nfs/dbraw/zinc/03/52/86/564035286.db2.gz XPFBQGBGVHGREW-UHFFFAOYSA-N 1 1 337.442 5.134 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212128 563984466 /nfs/dbraw/zinc/98/44/66/563984466.db2.gz GGPYEHIWFNJTIR-OAQYLSRUSA-N 1 1 330.431 5.211 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212129 563984453 /nfs/dbraw/zinc/98/44/53/563984453.db2.gz GGPYEHIWFNJTIR-NRFANRHFSA-N 1 1 330.431 5.211 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212165 563984444 /nfs/dbraw/zinc/98/44/44/563984444.db2.gz SECVPPQOEMSNSL-JOCHJYFZSA-N 1 1 344.458 5.601 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212166 563984470 /nfs/dbraw/zinc/98/44/70/563984470.db2.gz SECVPPQOEMSNSL-QFIPXVFZSA-N 1 1 344.458 5.601 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212188 563984459 /nfs/dbraw/zinc/98/44/59/563984459.db2.gz AOEPZOUJRNXPSR-OAQYLSRUSA-N 1 1 330.431 5.211 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212189 563984478 /nfs/dbraw/zinc/98/44/78/563984478.db2.gz AOEPZOUJRNXPSR-NRFANRHFSA-N 1 1 330.431 5.211 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212225 563984483 /nfs/dbraw/zinc/98/44/83/563984483.db2.gz DAPNVSWYTPGJIK-JOCHJYFZSA-N 1 1 344.458 5.601 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212226 563984456 /nfs/dbraw/zinc/98/44/56/563984456.db2.gz DAPNVSWYTPGJIK-QFIPXVFZSA-N 1 1 344.458 5.601 40 0 EKABMO CC(C)N(c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212945 563984505 /nfs/dbraw/zinc/98/45/05/563984505.db2.gz BGFSMTYDTASUBW-NRFANRHFSA-N 1 1 337.511 5.042 40 0 EKABMO CC(C)N(c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212946 563984533 /nfs/dbraw/zinc/98/45/33/563984533.db2.gz BGFSMTYDTASUBW-OAQYLSRUSA-N 1 1 337.511 5.042 40 0 EKABMO CC(C)N(c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000072213005 563984520 /nfs/dbraw/zinc/98/45/20/563984520.db2.gz QDZJTUOTZWVBAZ-NRFANRHFSA-N 1 1 337.511 5.042 40 0 EKABMO CC(C)N(c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000072213006 257689327 /nfs/dbraw/zinc/68/93/27/257689327.db2.gz QDZJTUOTZWVBAZ-OAQYLSRUSA-N 1 1 337.511 5.042 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213984 563984712 /nfs/dbraw/zinc/98/47/12/563984712.db2.gz FHMNVGKCNCXUNU-OAQYLSRUSA-N 1 1 335.495 5.163 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213985 563984660 /nfs/dbraw/zinc/98/46/60/563984660.db2.gz FHMNVGKCNCXUNU-NRFANRHFSA-N 1 1 335.495 5.163 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214007 563984721 /nfs/dbraw/zinc/98/47/21/563984721.db2.gz FWJYLTQBJPZGLH-OAQYLSRUSA-N 1 1 335.495 5.163 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214008 563984669 /nfs/dbraw/zinc/98/46/69/563984669.db2.gz FWJYLTQBJPZGLH-NRFANRHFSA-N 1 1 335.495 5.163 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214044 563984663 /nfs/dbraw/zinc/98/46/63/563984663.db2.gz CKAAWAFQTHHUJB-JOCHJYFZSA-N 1 1 349.522 5.553 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214045 563984724 /nfs/dbraw/zinc/98/47/24/563984724.db2.gz CKAAWAFQTHHUJB-QFIPXVFZSA-N 1 1 349.522 5.553 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214067 257689711 /nfs/dbraw/zinc/68/97/11/257689711.db2.gz CCWSAPHHUAIIKH-OAQYLSRUSA-N 1 1 329.447 5.162 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214068 563984657 /nfs/dbraw/zinc/98/46/57/563984657.db2.gz CCWSAPHHUAIIKH-NRFANRHFSA-N 1 1 329.447 5.162 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214104 563984694 /nfs/dbraw/zinc/98/46/94/563984694.db2.gz LAFHCNVUVXCJQZ-JOCHJYFZSA-N 1 1 343.474 5.552 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214105 563984687 /nfs/dbraw/zinc/98/46/87/563984687.db2.gz LAFHCNVUVXCJQZ-QFIPXVFZSA-N 1 1 343.474 5.552 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214127 563984690 /nfs/dbraw/zinc/98/46/90/563984690.db2.gz RSEXDVJIRPNPGM-OAQYLSRUSA-N 1 1 329.447 5.162 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214128 563984697 /nfs/dbraw/zinc/98/46/97/563984697.db2.gz RSEXDVJIRPNPGM-NRFANRHFSA-N 1 1 329.447 5.162 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214164 563984672 /nfs/dbraw/zinc/98/46/72/563984672.db2.gz BQVOMJFQSAPREV-JOCHJYFZSA-N 1 1 343.474 5.552 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214165 563984715 /nfs/dbraw/zinc/98/47/15/563984715.db2.gz BQVOMJFQSAPREV-QFIPXVFZSA-N 1 1 343.474 5.552 40 0 EKABMO CN(c1ccccc1)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214187 563984683 /nfs/dbraw/zinc/98/46/83/563984683.db2.gz GPVHZCGOHQCLTH-QFIPXVFZSA-N 1 1 343.474 5.187 40 0 EKABMO CN(c1ccccc1)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214188 563984677 /nfs/dbraw/zinc/98/46/77/563984677.db2.gz GPVHZCGOHQCLTH-JOCHJYFZSA-N 1 1 343.474 5.187 40 0 EKABMO CN(c1ccccc1)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214247 563984707 /nfs/dbraw/zinc/98/47/07/563984707.db2.gz OVMFKOFDIJBIFW-QFIPXVFZSA-N 1 1 343.474 5.187 40 0 EKABMO CN(c1ccccc1)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214248 563984718 /nfs/dbraw/zinc/98/47/18/563984718.db2.gz OVMFKOFDIJBIFW-JOCHJYFZSA-N 1 1 343.474 5.187 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216668 563985537 /nfs/dbraw/zinc/98/55/37/563985537.db2.gz LKZNUBAMZFGJIV-JOCHJYFZSA-N 1 1 349.522 5.189 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216669 563985527 /nfs/dbraw/zinc/98/55/27/563985527.db2.gz LKZNUBAMZFGJIV-QFIPXVFZSA-N 1 1 349.522 5.189 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216728 563985549 /nfs/dbraw/zinc/98/55/49/563985549.db2.gz JZFNYSGKGIPZGD-JOCHJYFZSA-N 1 1 349.522 5.189 40 0 EKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216729 563985596 /nfs/dbraw/zinc/98/55/96/563985596.db2.gz JZFNYSGKGIPZGD-QFIPXVFZSA-N 1 1 349.522 5.189 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217263 563985325 /nfs/dbraw/zinc/98/53/25/563985325.db2.gz WEOBGMZFKYQUMT-LJQANCHMSA-N 1 1 332.557 5.689 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217264 563985358 /nfs/dbraw/zinc/98/53/58/563985358.db2.gz WEOBGMZFKYQUMT-IBGZPJMESA-N 1 1 332.557 5.689 40 0 EKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217265 563985372 /nfs/dbraw/zinc/98/53/72/563985372.db2.gz XKRFOLOQRQIVSA-LJQANCHMSA-N 1 1 332.557 5.834 40 0 EKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217266 563985347 /nfs/dbraw/zinc/98/53/47/563985347.db2.gz XKRFOLOQRQIVSA-IBGZPJMESA-N 1 1 332.557 5.834 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217323 563985338 /nfs/dbraw/zinc/98/53/38/563985338.db2.gz IFUIFOHWOAOTQB-LJQANCHMSA-N 1 1 332.557 5.689 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217324 563985365 /nfs/dbraw/zinc/98/53/65/563985365.db2.gz IFUIFOHWOAOTQB-IBGZPJMESA-N 1 1 332.557 5.689 40 0 EKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217325 563985352 /nfs/dbraw/zinc/98/53/52/563985352.db2.gz RSNWTWQOPIKJQA-LJQANCHMSA-N 1 1 332.557 5.834 40 0 EKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217326 563985344 /nfs/dbraw/zinc/98/53/44/563985344.db2.gz RSNWTWQOPIKJQA-IBGZPJMESA-N 1 1 332.557 5.834 40 0 EKABMO CC(C)(C)Sc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217350 563985376 /nfs/dbraw/zinc/98/53/76/563985376.db2.gz LKIHMVDUKUHZFG-SFHVURJKSA-N 1 1 326.509 5.309 40 0 EKABMO CC(C)(C)Sc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217351 563985334 /nfs/dbraw/zinc/98/53/34/563985334.db2.gz LKIHMVDUKUHZFG-GOSISDBHSA-N 1 1 326.509 5.309 40 0 EKABMO CC(C)(C)Sc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217387 563985322 /nfs/dbraw/zinc/98/53/22/563985322.db2.gz YQCULBXHEHRCII-IBGZPJMESA-N 1 1 340.536 5.699 40 0 EKABMO CC(C)(C)Sc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217388 257687178 /nfs/dbraw/zinc/68/71/78/257687178.db2.gz YQCULBXHEHRCII-LJQANCHMSA-N 1 1 340.536 5.699 40 0 EKABMO CC(C)(C)Sc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217410 563985341 /nfs/dbraw/zinc/98/53/41/563985341.db2.gz UGINUHKGSSMCCW-SFHVURJKSA-N 1 1 326.509 5.309 40 0 EKABMO CC(C)(C)Sc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217411 563985355 /nfs/dbraw/zinc/98/53/55/563985355.db2.gz UGINUHKGSSMCCW-GOSISDBHSA-N 1 1 326.509 5.309 40 0 EKABMO CC(C)(C)Sc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217447 563985331 /nfs/dbraw/zinc/98/53/31/563985331.db2.gz VZWZMMIZKJYAJU-IBGZPJMESA-N 1 1 340.536 5.699 40 0 EKABMO CC(C)(C)Sc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217448 257687388 /nfs/dbraw/zinc/68/73/88/257687388.db2.gz VZWZMMIZKJYAJU-LJQANCHMSA-N 1 1 340.536 5.699 40 0 EKABMO CC(C)Sc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217507 563985384 /nfs/dbraw/zinc/98/53/84/563985384.db2.gz KGATWCCRHQKBMP-IBGZPJMESA-N 1 1 326.509 5.309 40 0 EKABMO CC(C)Sc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217508 563985404 /nfs/dbraw/zinc/98/54/04/563985404.db2.gz KGATWCCRHQKBMP-LJQANCHMSA-N 1 1 326.509 5.309 40 0 EKABMO CC(C)Sc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217567 563985420 /nfs/dbraw/zinc/98/54/20/563985420.db2.gz KBZYNFXUHISPNY-IBGZPJMESA-N 1 1 326.509 5.309 40 0 EKABMO CC(C)Sc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217568 563985435 /nfs/dbraw/zinc/98/54/35/563985435.db2.gz KBZYNFXUHISPNY-LJQANCHMSA-N 1 1 326.509 5.309 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217590 563985391 /nfs/dbraw/zinc/98/53/91/563985391.db2.gz JPOOPJZQRJHWTM-OAQYLSRUSA-N 1 1 346.499 5.570 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217591 563985426 /nfs/dbraw/zinc/98/54/26/563985426.db2.gz JPOOPJZQRJHWTM-NRFANRHFSA-N 1 1 346.499 5.570 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217623 563985407 /nfs/dbraw/zinc/98/54/07/563985407.db2.gz SJAHENGLRKONMZ-LJQANCHMSA-N 1 1 326.509 5.416 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217624 563985401 /nfs/dbraw/zinc/98/54/01/563985401.db2.gz SJAHENGLRKONMZ-IBGZPJMESA-N 1 1 326.509 5.416 40 0 EKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217625 563985395 /nfs/dbraw/zinc/98/53/95/563985395.db2.gz AJLDZIJFZFRNDN-LJQANCHMSA-N 1 1 326.509 5.560 40 0 EKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217626 563985388 /nfs/dbraw/zinc/98/53/88/563985388.db2.gz AJLDZIJFZFRNDN-IBGZPJMESA-N 1 1 326.509 5.560 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217650 257687332 /nfs/dbraw/zinc/68/73/32/257687332.db2.gz YTEMAQOZGCPNFH-OAQYLSRUSA-N 1 1 346.499 5.570 40 0 EKABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217651 563985417 /nfs/dbraw/zinc/98/54/17/563985417.db2.gz YTEMAQOZGCPNFH-NRFANRHFSA-N 1 1 346.499 5.570 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217683 563985423 /nfs/dbraw/zinc/98/54/23/563985423.db2.gz OVTLAVBQEBNHCK-LJQANCHMSA-N 1 1 326.509 5.416 40 0 EKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217684 563985414 /nfs/dbraw/zinc/98/54/14/563985414.db2.gz OVTLAVBQEBNHCK-IBGZPJMESA-N 1 1 326.509 5.416 40 0 EKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217685 257687575 /nfs/dbraw/zinc/68/75/75/257687575.db2.gz KMYYOUIBNRKFPK-LJQANCHMSA-N 1 1 326.509 5.560 40 0 EKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217686 563985430 /nfs/dbraw/zinc/98/54/30/563985430.db2.gz KMYYOUIBNRKFPK-IBGZPJMESA-N 1 1 326.509 5.560 40 0 EKABMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219186 563985738 /nfs/dbraw/zinc/98/57/38/563985738.db2.gz OMXNWBBCIYZQFQ-QFIPXVFZSA-N 1 1 349.522 5.108 40 0 EKABMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219187 563985750 /nfs/dbraw/zinc/98/57/50/563985750.db2.gz OMXNWBBCIYZQFQ-JOCHJYFZSA-N 1 1 349.522 5.108 40 0 EKABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219246 563985786 /nfs/dbraw/zinc/98/57/86/563985786.db2.gz PLJHCCIQFVNHBP-QFIPXVFZSA-N 1 1 349.522 5.108 40 0 EKABMO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219247 563985777 /nfs/dbraw/zinc/98/57/77/563985777.db2.gz PLJHCCIQFVNHBP-JOCHJYFZSA-N 1 1 349.522 5.108 40 0 EKABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219306 563985772 /nfs/dbraw/zinc/98/57/72/563985772.db2.gz FKKROVIEYZFUHI-QFIPXVFZSA-N 1 1 349.522 5.108 40 0 EKABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219307 518192808 /nfs/dbraw/zinc/19/28/08/518192808.db2.gz FKKROVIEYZFUHI-JOCHJYFZSA-N 1 1 349.522 5.108 40 0 EKABMO CC[NH+](CC)c1ccc(-n2c3ccccc3nc2-c2ccccc2)cc1 ZINC000073739993 216420307 /nfs/dbraw/zinc/42/03/07/216420307.db2.gz TVWGIOSQSZFOMG-UHFFFAOYSA-N 1 1 341.458 5.539 40 0 EKABMO FC1(F)CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951705 563977848 /nfs/dbraw/zinc/97/78/48/563977848.db2.gz JIDPXAOOYVIWPN-QHAWAJNXSA-N 1 1 341.445 5.480 40 0 EKABMO Cc1ccccc1/C=C/C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1 ZINC000096125844 564051248 /nfs/dbraw/zinc/05/12/48/564051248.db2.gz FJFLDQXXCJUUBR-AIUXHLRUSA-N 1 1 335.491 5.014 40 0 EKABMO Cc1ccccc1/C=C/C[N@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1 ZINC000096125845 564051243 /nfs/dbraw/zinc/05/12/43/564051243.db2.gz FJFLDQXXCJUUBR-QTNMPDCNSA-N 1 1 335.491 5.014 40 0 EKABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000100371760 563779164 /nfs/dbraw/zinc/77/91/64/563779164.db2.gz OCAXFDULERPAJM-PLACYPQZSA-N 1 1 341.882 5.071 40 0 EKABMO CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000102672128 219221535 /nfs/dbraw/zinc/22/15/35/219221535.db2.gz QTCCWCRPTWVSSV-RTYZCEEYSA-N 1 1 337.507 5.074 40 0 EKABMO c1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34OCC[N@@H+]24)cc1 ZINC000102743111 219227626 /nfs/dbraw/zinc/22/76/26/219227626.db2.gz IIWHIPPFNCKTOT-QZNHQXDQSA-N 1 1 331.459 5.044 40 0 EKABMO c1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34OCC[N@H+]24)cc1 ZINC000102743111 219227625 /nfs/dbraw/zinc/22/76/25/219227625.db2.gz IIWHIPPFNCKTOT-QZNHQXDQSA-N 1 1 331.459 5.044 40 0 EKABMO c1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34OCC[N@@H+]24)cc1 ZINC000102743115 219227370 /nfs/dbraw/zinc/22/73/70/219227370.db2.gz IIWHIPPFNCKTOT-MQSCRBSSSA-N 1 1 331.459 5.044 40 0 EKABMO c1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34OCC[N@H+]24)cc1 ZINC000102743115 219227369 /nfs/dbraw/zinc/22/73/69/219227369.db2.gz IIWHIPPFNCKTOT-MQSCRBSSSA-N 1 1 331.459 5.044 40 0 EKABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790307 241213034 /nfs/dbraw/zinc/21/30/34/241213034.db2.gz GHABUJYCKRGMHW-GASCZTMLSA-N 1 1 338.426 5.112 40 0 EKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790531 241212251 /nfs/dbraw/zinc/21/22/51/241212251.db2.gz SPPOFYSUIKUVCG-GASCZTMLSA-N 1 1 338.426 5.397 40 0 EKABMO C[N@@H+](Cc1ccc2oc(-c3ccccc3F)nc2c1)C1CCCCC1 ZINC000216790906 536473752 /nfs/dbraw/zinc/47/37/52/536473752.db2.gz ZGJKFPMBYYRXIE-UHFFFAOYSA-N 1 1 338.426 5.398 40 0 EKABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216798958 241213602 /nfs/dbraw/zinc/21/36/02/241213602.db2.gz KSTYYYQSMXSCIR-CQSZACIVSA-N 1 1 340.854 5.523 40 0 EKABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216799002 241212852 /nfs/dbraw/zinc/21/28/52/241212852.db2.gz KSTYYYQSMXSCIR-AWEZNQCLSA-N 1 1 340.854 5.523 40 0 EKABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799202 241213633 /nfs/dbraw/zinc/21/36/33/241213633.db2.gz CFWKIIWSIDITTH-CQSZACIVSA-N 1 1 340.854 5.380 40 0 EKABMO C[C@H]1CCC[N@@H+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799238 241212993 /nfs/dbraw/zinc/21/29/93/241212993.db2.gz CFWKIIWSIDITTH-AWEZNQCLSA-N 1 1 340.854 5.380 40 0 EKABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841204 241213750 /nfs/dbraw/zinc/21/37/50/241213750.db2.gz UUTATZYETGBNCA-CQSZACIVSA-N 1 1 340.854 5.523 40 0 EKABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841237 241213138 /nfs/dbraw/zinc/21/31/38/241213138.db2.gz UUTATZYETGBNCA-AWEZNQCLSA-N 1 1 340.854 5.523 40 0 EKABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841328 241216286 /nfs/dbraw/zinc/21/62/86/241216286.db2.gz IKENETOOBLKRDK-CQSZACIVSA-N 1 1 340.854 5.380 40 0 EKABMO C[C@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841364 241214756 /nfs/dbraw/zinc/21/47/56/241214756.db2.gz IKENETOOBLKRDK-AWEZNQCLSA-N 1 1 340.854 5.380 40 0 EKABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841698 241215279 /nfs/dbraw/zinc/21/52/79/241215279.db2.gz PEMOZEWHVRTQST-GASCZTMLSA-N 1 1 338.426 5.112 40 0 EKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216841889 241215582 /nfs/dbraw/zinc/21/55/82/241215582.db2.gz OXQIOKVGJVBTHD-GASCZTMLSA-N 1 1 338.426 5.397 40 0 EKABMO Cc1cc[nH+]c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000228948492 564118177 /nfs/dbraw/zinc/11/81/77/564118177.db2.gz RQGSADJUYDPBKC-UHFFFAOYSA-N 1 1 334.263 5.040 40 0 EKABMO C[C@]12C[C@@H](c3ccccc3)[N@@H+](Cc3ccccc3)[C@H]1CCCCC2=O ZINC000254286874 244045065 /nfs/dbraw/zinc/04/50/65/244045065.db2.gz NIZOCBKNQRRYRA-FUDKSRODSA-N 1 1 333.475 5.152 40 0 EKABMO Fc1ccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cc1 ZINC000257226106 244200798 /nfs/dbraw/zinc/20/07/98/244200798.db2.gz FJEJCLIUJWMKAH-JOCHJYFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1ccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cc1 ZINC000257226107 244200747 /nfs/dbraw/zinc/20/07/47/244200747.db2.gz FJEJCLIUJWMKAH-QFIPXVFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1cccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3ccncc3)cn2)c1 ZINC000257249467 244267001 /nfs/dbraw/zinc/26/70/01/244267001.db2.gz JIMVZTIPXPTCLI-JOCHJYFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1cccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)cn2)c1 ZINC000257249468 244266363 /nfs/dbraw/zinc/26/63/63/244266363.db2.gz JIMVZTIPXPTCLI-QFIPXVFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1ccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257284129 564132467 /nfs/dbraw/zinc/13/24/67/564132467.db2.gz PBIISQFTMDLEJS-JOCHJYFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1ccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257284130 564132461 /nfs/dbraw/zinc/13/24/61/564132461.db2.gz PBIISQFTMDLEJS-QFIPXVFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1cccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)c1 ZINC000257293162 564132437 /nfs/dbraw/zinc/13/24/37/564132437.db2.gz QOKAAFXODXGXMO-JOCHJYFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1cccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)c1 ZINC000257293163 564132447 /nfs/dbraw/zinc/13/24/47/564132447.db2.gz QOKAAFXODXGXMO-QFIPXVFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1cccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3ccccn3)cn2)c1 ZINC000257297322 564132453 /nfs/dbraw/zinc/13/24/53/564132453.db2.gz RGTGHUXDJZHSQL-JOCHJYFZSA-N 1 1 347.437 5.010 40 0 EKABMO Fc1cccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)c1 ZINC000257297323 564132430 /nfs/dbraw/zinc/13/24/30/564132430.db2.gz RGTGHUXDJZHSQL-QFIPXVFZSA-N 1 1 347.437 5.010 40 0 EKABMO c1ccc(CC[N@H+]2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)cc1 ZINC000257308785 564132442 /nfs/dbraw/zinc/13/24/42/564132442.db2.gz TYCBNCLBPHSRGL-DEOSSOPVSA-N 1 1 342.486 5.052 40 0 EKABMO c1ccc(CC[N@H+]2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)cc1 ZINC000257308786 244483103 /nfs/dbraw/zinc/48/31/03/244483103.db2.gz TYCBNCLBPHSRGL-XMMPIXPASA-N 1 1 342.486 5.052 40 0 EKABMO CCCC[NH+](CCCC)CCNc1ccnc2cccc(Cl)c21 ZINC000263615950 564132621 /nfs/dbraw/zinc/13/26/21/564132621.db2.gz GFBDETZVKYCUTH-UHFFFAOYSA-N 1 1 333.907 5.202 40 0 EKABMO Cc1ccccc1/C=C/C[N@H+]1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000352063287 564133632 /nfs/dbraw/zinc/13/36/32/564133632.db2.gz FJFLDQXXCJUUBR-JLHGHFKBSA-N 1 1 335.491 5.014 40 0 EKABMO C[N@H+]1CCC[C@H]1CCOc1cccc(F)c1Oc1cccc(Cl)c1 ZINC000585266165 564081088 /nfs/dbraw/zinc/08/10/88/564081088.db2.gz COZSUWJUSQACPO-HNNXBMFYSA-N 1 1 349.833 5.135 40 0 EKABMO C[N@H+]1CCC[C@@H]1CCOc1cccc(F)c1Oc1cccc(Cl)c1 ZINC000585266166 564081078 /nfs/dbraw/zinc/08/10/78/564081078.db2.gz COZSUWJUSQACPO-OAHLLOKOSA-N 1 1 349.833 5.135 40 0 EKABMO C[N@H+]1CCC[C@H]1CCOc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585266189 564081096 /nfs/dbraw/zinc/08/10/96/564081096.db2.gz HAMYEVXXELTNND-INIZCTEOSA-N 1 1 349.833 5.135 40 0 EKABMO C[N@H+]1CCC[C@@H]1CCOc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585266191 564081092 /nfs/dbraw/zinc/08/10/92/564081092.db2.gz HAMYEVXXELTNND-MRXNPFEDSA-N 1 1 349.833 5.135 40 0 EKABMO C[N@H+]1CCC[C@H]1CCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585266241 563981176 /nfs/dbraw/zinc/98/11/76/563981176.db2.gz VQPRPMQGQYJFTC-HNNXBMFYSA-N 1 1 349.833 5.135 40 0 EKABMO C[N@H+]1CCC[C@@H]1CCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585266242 563981178 /nfs/dbraw/zinc/98/11/78/563981178.db2.gz VQPRPMQGQYJFTC-OAHLLOKOSA-N 1 1 349.833 5.135 40 0 EKABMO