smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCCC1 ZINC000090667854 185308966 /nfs/dbraw/zinc/30/89/66/185308966.db2.gz QLHIAMCRAOZBAV-IRXDYDNUSA-N 2 2 315.505 4.165 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092568137 185326447 /nfs/dbraw/zinc/32/64/47/185326447.db2.gz BUUWZYIHGDBLAX-SQNIBIBYSA-N 2 2 315.505 4.023 20 0 DIADLP CC(C)CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccoc1 ZINC000285737187 534943619 /nfs/dbraw/zinc/94/36/19/534943619.db2.gz QYDBQHZZHMSBKD-SFHVURJKSA-N 2 2 324.428 4.127 20 0 DIADLP Cc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000525857941 334951022 /nfs/dbraw/zinc/95/10/22/334951022.db2.gz LTRUPGHUZFRXPO-HXUWFJFHSA-N 2 2 311.473 4.493 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000020023385 182179979 /nfs/dbraw/zinc/17/99/79/182179979.db2.gz GQHNMPYDVVPJDA-GFCCVEGCSA-N 2 2 303.277 4.376 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1F ZINC000272280928 130016098 /nfs/dbraw/zinc/01/60/98/130016098.db2.gz MSDIUAOFIMJKII-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272645709 130049425 /nfs/dbraw/zinc/04/94/25/130049425.db2.gz FKZQWMBMAULACQ-CQSZACIVSA-N 2 2 314.395 4.062 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(C)c1 ZINC000285818507 131202979 /nfs/dbraw/zinc/20/29/79/131202979.db2.gz WGGAPHIOBUOAQZ-OAQYLSRUSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(C3CC3)c1)CCC2 ZINC000340251186 131273384 /nfs/dbraw/zinc/27/33/84/131273384.db2.gz HTQLXUSNFORHKB-HNAYVOBHSA-N 2 2 309.457 4.297 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000289284314 131370928 /nfs/dbraw/zinc/37/09/28/131370928.db2.gz OXMLFPNFQRQZTL-SFTDATJTSA-N 2 2 324.468 4.080 20 0 DIADLP Cc1cc([NH+]2CCCCCC2)ccc1N[C@H]1CCn2cc[nH+]c21 ZINC000297234438 132005191 /nfs/dbraw/zinc/00/51/91/132005191.db2.gz IBNRFYRYJPUSKH-SFHVURJKSA-N 2 2 310.445 4.129 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120788946 132150676 /nfs/dbraw/zinc/15/06/76/132150676.db2.gz PKQMFDYGAVYRGE-KSSFIOAISA-N 2 2 307.397 4.194 20 0 DIADLP Cc1ccc(C)c(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000320605498 335093335 /nfs/dbraw/zinc/09/33/35/335093335.db2.gz ZDERSCUJAGBJEK-NRFANRHFSA-N 2 2 308.469 4.230 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(Cl)cc(Cl)c1 ZINC000556610766 331720088 /nfs/dbraw/zinc/72/00/88/331720088.db2.gz VIWFQMGTVWTJEW-NSHDSACASA-N 2 2 324.255 4.377 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000255312327 331730989 /nfs/dbraw/zinc/73/09/89/331730989.db2.gz BTHGXHOUWDGEJV-BMRADRMJSA-N 2 2 319.452 4.199 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000556907423 331751656 /nfs/dbraw/zinc/75/16/56/331751656.db2.gz YATWBUDETADIRN-UHFFFAOYSA-N 2 2 304.384 4.224 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000558009233 331832467 /nfs/dbraw/zinc/83/24/67/331832467.db2.gz GPCIBTPANHBILW-GOSISDBHSA-N 2 2 323.484 4.014 20 0 DIADLP CC[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)Oc1cccc(C)c1 ZINC000569530331 332126965 /nfs/dbraw/zinc/12/69/65/332126965.db2.gz NPBDSYAWRWFTNX-IBGZPJMESA-N 2 2 312.457 4.078 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000132906330 332134604 /nfs/dbraw/zinc/13/46/04/332134604.db2.gz IDKBURPVYKFONT-AWEZNQCLSA-N 2 2 315.486 4.025 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368070 332233484 /nfs/dbraw/zinc/23/34/84/332233484.db2.gz CNFKOASWBREYKG-AWEZNQCLSA-N 2 2 315.848 4.373 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000559722575 332277987 /nfs/dbraw/zinc/27/79/87/332277987.db2.gz XXKPDWAMMVNKAC-IEBWSBKVSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000559722575 332277989 /nfs/dbraw/zinc/27/79/89/332277989.db2.gz XXKPDWAMMVNKAC-IEBWSBKVSA-N 2 2 314.860 4.265 20 0 DIADLP Cc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCC2)cc1 ZINC000427610383 332464804 /nfs/dbraw/zinc/46/48/04/332464804.db2.gz BDFTTXFOYYJCFN-OAQYLSRUSA-N 2 2 323.484 4.201 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCC2)cc1 ZINC000427610382 332464928 /nfs/dbraw/zinc/46/49/28/332464928.db2.gz BDFTTXFOYYJCFN-NRFANRHFSA-N 2 2 323.484 4.201 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCc1cc[nH+]cc1C ZINC000561776167 332495431 /nfs/dbraw/zinc/49/54/31/332495431.db2.gz HGZUBHAKVKSUOP-FQEVSTJZSA-N 2 2 319.452 4.389 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccccc2)c1 ZINC000427852568 332541743 /nfs/dbraw/zinc/54/17/43/332541743.db2.gz FYPIWXBFOXMARN-OXJNMPFZSA-N 2 2 317.436 4.216 20 0 DIADLP CC(C)(C)C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427860483 332545253 /nfs/dbraw/zinc/54/52/53/332545253.db2.gz AHKOQWLBYPEBEL-IRXDYDNUSA-N 2 2 315.436 4.104 20 0 DIADLP Cc1cccn2c(C[NH2+]Cc3csc4ccccc34)c[nH+]c12 ZINC000525694137 332615252 /nfs/dbraw/zinc/61/52/52/332615252.db2.gz CGCVAMPRCGVWIX-UHFFFAOYSA-N 2 2 307.422 4.147 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000314075435 333085946 /nfs/dbraw/zinc/08/59/46/333085946.db2.gz UNSRSKLFBPXIHL-CYBMUJFWSA-N 2 2 313.832 4.349 20 0 DIADLP Cc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000462782569 333111400 /nfs/dbraw/zinc/11/14/00/333111400.db2.gz XEQOVKMCCVEPIX-UHFFFAOYSA-N 2 2 307.441 4.019 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776525 333147597 /nfs/dbraw/zinc/14/75/97/333147597.db2.gz BCXSXMOWMMFZME-WIYYLYMNSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776525 333147599 /nfs/dbraw/zinc/14/75/99/333147599.db2.gz BCXSXMOWMMFZME-WIYYLYMNSA-N 2 2 308.469 4.229 20 0 DIADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000582089599 333208907 /nfs/dbraw/zinc/20/89/07/333208907.db2.gz MYLDSCWEMCKJSK-UFYCRDLUSA-N 2 2 317.436 4.102 20 0 DIADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000582089599 333208908 /nfs/dbraw/zinc/20/89/08/333208908.db2.gz MYLDSCWEMCKJSK-UFYCRDLUSA-N 2 2 317.436 4.102 20 0 DIADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000390498624 333286172 /nfs/dbraw/zinc/28/61/72/333286172.db2.gz KEECWEDOYYFQLL-BHIYHBOVSA-N 2 2 315.505 4.101 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880772 333305751 /nfs/dbraw/zinc/30/57/51/333305751.db2.gz PADZGBKSSCUJAG-ZWKOTPCHSA-N 2 2 318.480 4.331 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880772 333305753 /nfs/dbraw/zinc/30/57/53/333305753.db2.gz PADZGBKSSCUJAG-ZWKOTPCHSA-N 2 2 318.480 4.331 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531340081 333344806 /nfs/dbraw/zinc/34/48/06/333344806.db2.gz VBISTHDYLZOJKR-ZBFHGGJFSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531340081 333344807 /nfs/dbraw/zinc/34/48/07/333344807.db2.gz VBISTHDYLZOJKR-ZBFHGGJFSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531340081 333344809 /nfs/dbraw/zinc/34/48/09/333344809.db2.gz VBISTHDYLZOJKR-ZBFHGGJFSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531340081 333344811 /nfs/dbraw/zinc/34/48/11/333344811.db2.gz VBISTHDYLZOJKR-ZBFHGGJFSA-N 2 2 306.881 4.065 20 0 DIADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383086 333348308 /nfs/dbraw/zinc/34/83/08/333348308.db2.gz HXPOMEAGDOWJMV-CYBMUJFWSA-N 2 2 322.905 4.328 20 0 DIADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383086 333348309 /nfs/dbraw/zinc/34/83/09/333348309.db2.gz HXPOMEAGDOWJMV-CYBMUJFWSA-N 2 2 322.905 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383086 333348310 /nfs/dbraw/zinc/34/83/10/333348310.db2.gz HXPOMEAGDOWJMV-CYBMUJFWSA-N 2 2 322.905 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383086 333348311 /nfs/dbraw/zinc/34/83/11/333348311.db2.gz HXPOMEAGDOWJMV-CYBMUJFWSA-N 2 2 322.905 4.328 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000531693231 333546323 /nfs/dbraw/zinc/54/63/23/333546323.db2.gz VRSVKQAAWOJTBW-CQSZACIVSA-N 2 2 311.404 4.225 20 0 DIADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000414054996 333888173 /nfs/dbraw/zinc/88/81/73/333888173.db2.gz OADHNSGPKZZIBI-SJLPKXTDSA-N 2 2 317.864 4.243 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414064234 333889774 /nfs/dbraw/zinc/88/97/74/333889774.db2.gz NIOLHHHOTFCWGO-QGPMSJSTSA-N 2 2 317.864 4.241 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414105541 333897183 /nfs/dbraw/zinc/89/71/83/333897183.db2.gz PQPYCZWPJROKTO-OAHLLOKOSA-N 2 2 323.465 4.407 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCCC13CCCC3)CCC2 ZINC000340251929 334157336 /nfs/dbraw/zinc/15/73/36/334157336.db2.gz JAULDIMDYSJOJJ-SJORKVTESA-N 2 2 301.478 4.162 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000534474903 334271939 /nfs/dbraw/zinc/27/19/39/334271939.db2.gz SNTYGWMIZWLHQG-GOSISDBHSA-N 2 2 323.415 4.148 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000534474903 334271940 /nfs/dbraw/zinc/27/19/40/334271940.db2.gz SNTYGWMIZWLHQG-GOSISDBHSA-N 2 2 323.415 4.148 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000187828245 334274156 /nfs/dbraw/zinc/27/41/56/334274156.db2.gz SFUJPGSARVRCCG-GOSISDBHSA-N 2 2 309.388 4.252 20 0 DIADLP CCSc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000534494936 334277566 /nfs/dbraw/zinc/27/75/66/334277566.db2.gz MESYDSCPBGXRCQ-OAHLLOKOSA-N 2 2 303.475 4.126 20 0 DIADLP CCSc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000534494935 334277613 /nfs/dbraw/zinc/27/76/13/334277613.db2.gz MESYDSCPBGXRCQ-HNNXBMFYSA-N 2 2 303.475 4.126 20 0 DIADLP Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1C ZINC000531942677 334302299 /nfs/dbraw/zinc/30/22/99/334302299.db2.gz BQFPTRXVEMNIEU-QGZVFWFLSA-N 2 2 307.441 4.153 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1C(F)(F)F ZINC000531977930 334349724 /nfs/dbraw/zinc/34/97/24/334349724.db2.gz FWCOGWVPVOMLEF-ZDUSSCGKSA-N 2 2 323.362 4.253 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccccc1C(C)(C)C ZINC000535087444 334368819 /nfs/dbraw/zinc/36/88/19/334368819.db2.gz HATQOYKDNPVHBQ-JKSUJKDBSA-N 2 2 311.473 4.409 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000342306264 334527019 /nfs/dbraw/zinc/52/70/19/334527019.db2.gz DCGRMNXWVSSGNS-NRFANRHFSA-N 2 2 317.436 4.348 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000343096587 334599160 /nfs/dbraw/zinc/59/91/60/334599160.db2.gz RRCPISKSFHNEBY-SFHVURJKSA-N 2 2 323.827 4.303 20 0 DIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000343931239 335202629 /nfs/dbraw/zinc/20/26/29/335202629.db2.gz SLYLOYNYINBLFO-QGZVFWFLSA-N 2 2 317.864 4.156 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3cc(C)c(C)cc3o1)CCC2 ZINC000344545652 335260391 /nfs/dbraw/zinc/26/03/91/335260391.db2.gz SFTBRZZJCCQKSW-INIZCTEOSA-N 2 2 323.440 4.222 20 0 DIADLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000346178294 335378155 /nfs/dbraw/zinc/37/81/55/335378155.db2.gz PDWLYZZYWYNFFM-UHFFFAOYSA-N 2 2 311.454 4.344 20 0 DIADLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000346178294 335378156 /nfs/dbraw/zinc/37/81/56/335378156.db2.gz PDWLYZZYWYNFFM-UHFFFAOYSA-N 2 2 311.454 4.344 20 0 DIADLP c1csc(C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000346145582 335381291 /nfs/dbraw/zinc/38/12/91/335381291.db2.gz TUVAKTPKBSOKHE-UHFFFAOYSA-N 2 2 315.467 4.160 20 0 DIADLP c1csc(C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000346145582 335381292 /nfs/dbraw/zinc/38/12/92/335381292.db2.gz TUVAKTPKBSOKHE-UHFFFAOYSA-N 2 2 315.467 4.160 20 0 DIADLP C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346153825 335382623 /nfs/dbraw/zinc/38/26/23/335382623.db2.gz PZOOVTVIUPKWCH-GFCCVEGCSA-N 2 2 315.467 4.115 20 0 DIADLP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346153825 335382625 /nfs/dbraw/zinc/38/26/25/335382625.db2.gz PZOOVTVIUPKWCH-GFCCVEGCSA-N 2 2 315.467 4.115 20 0 DIADLP c1csc([C@@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346198944 335389178 /nfs/dbraw/zinc/38/91/78/335389178.db2.gz FZZGUADSBJHYHQ-HNNXBMFYSA-N 2 2 315.467 4.332 20 0 DIADLP c1csc([C@@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346198944 335389180 /nfs/dbraw/zinc/38/91/80/335389180.db2.gz FZZGUADSBJHYHQ-HNNXBMFYSA-N 2 2 315.467 4.332 20 0 DIADLP C[C@H](c1cccs1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346305539 335398185 /nfs/dbraw/zinc/39/81/85/335398185.db2.gz INVLIQKLLGQXGJ-MRXNPFEDSA-N 2 2 311.454 4.208 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000346315471 335399270 /nfs/dbraw/zinc/39/92/70/335399270.db2.gz SIUPSHSYZPWJRP-LLVKDONJSA-N 2 2 324.255 4.118 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000346315471 335399271 /nfs/dbraw/zinc/39/92/71/335399271.db2.gz SIUPSHSYZPWJRP-LLVKDONJSA-N 2 2 324.255 4.118 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000162919263 338506018 /nfs/dbraw/zinc/50/60/18/338506018.db2.gz OOTASNLTEQDJCV-CQSZACIVSA-N 2 2 303.475 4.248 20 0 DIADLP CC[C@@H](c1ccccc1)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117589 336018291 /nfs/dbraw/zinc/01/82/91/336018291.db2.gz QXQSBXMNVBTSKI-NRFANRHFSA-N 2 2 323.484 4.129 20 0 DIADLP CC[C@@H](c1ccccc1)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117589 336018292 /nfs/dbraw/zinc/01/82/92/336018292.db2.gz QXQSBXMNVBTSKI-NRFANRHFSA-N 2 2 323.484 4.129 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000480555891 336031163 /nfs/dbraw/zinc/03/11/63/336031163.db2.gz RLNHQAJUWYPIPG-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000480555891 336031164 /nfs/dbraw/zinc/03/11/64/336031164.db2.gz RLNHQAJUWYPIPG-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000480555891 336031165 /nfs/dbraw/zinc/03/11/65/336031165.db2.gz RLNHQAJUWYPIPG-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC000480555891 336031166 /nfs/dbraw/zinc/03/11/66/336031166.db2.gz RLNHQAJUWYPIPG-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000583660965 336035478 /nfs/dbraw/zinc/03/54/78/336035478.db2.gz UNPMRAQPUBPLEW-PZJWPPBQSA-N 2 2 308.469 4.324 20 0 DIADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2ccccc2c1 ZINC000532452118 336250170 /nfs/dbraw/zinc/25/01/70/336250170.db2.gz SNVURHDUYJSICL-MRXNPFEDSA-N 2 2 315.420 4.381 20 0 DIADLP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000532511432 336252920 /nfs/dbraw/zinc/25/29/20/336252920.db2.gz CADIHJXHQILKAL-HZPDHXFCSA-N 2 2 323.444 4.062 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000532785679 336271260 /nfs/dbraw/zinc/27/12/60/336271260.db2.gz IFQPMOFTBWZQLZ-AZUAARDMSA-N 2 2 309.457 4.187 20 0 DIADLP Clc1oc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000352851530 336279694 /nfs/dbraw/zinc/27/96/94/336279694.db2.gz CFADJNHELJPPGD-UHFFFAOYSA-N 2 2 315.804 4.120 20 0 DIADLP C[C@@H]1CCC[N@H+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301508789 336311405 /nfs/dbraw/zinc/31/14/05/336311405.db2.gz JYALHPAOUIBOHV-CYBMUJFWSA-N 2 2 315.383 4.024 20 0 DIADLP C[C@@H]1CCC[N@@H+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301508789 336311406 /nfs/dbraw/zinc/31/14/06/336311406.db2.gz JYALHPAOUIBOHV-CYBMUJFWSA-N 2 2 315.383 4.024 20 0 DIADLP CC(C)c1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301799896 336330866 /nfs/dbraw/zinc/33/08/66/336330866.db2.gz BPQKDAYSXKEQBX-OAHLLOKOSA-N 2 2 316.449 4.031 20 0 DIADLP CC(C)c1cc(N(C)C2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301840627 336333459 /nfs/dbraw/zinc/33/34/59/336333459.db2.gz AUXQNAHYHNCDNZ-UHFFFAOYSA-N 2 2 318.509 4.032 20 0 DIADLP CC1CC[NH+](C2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000301901042 336337104 /nfs/dbraw/zinc/33/71/04/336337104.db2.gz ZUFSZNFXKXINAB-UHFFFAOYSA-N 2 2 312.461 4.018 20 0 DIADLP Cc1ccc2[nH+]ccc(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000302137790 336350214 /nfs/dbraw/zinc/35/02/14/336350214.db2.gz BZYUQHZVTNFEIZ-UHFFFAOYSA-N 2 2 318.424 4.019 20 0 DIADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808171 336370111 /nfs/dbraw/zinc/37/01/11/336370111.db2.gz GGTOAOHJZNBNLI-RDJZCZTQSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808171 336370112 /nfs/dbraw/zinc/37/01/12/336370112.db2.gz GGTOAOHJZNBNLI-RDJZCZTQSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808168 336370205 /nfs/dbraw/zinc/37/02/05/336370205.db2.gz GGTOAOHJZNBNLI-NVXWUHKLSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808168 336370206 /nfs/dbraw/zinc/37/02/06/336370206.db2.gz GGTOAOHJZNBNLI-NVXWUHKLSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834246 336371352 /nfs/dbraw/zinc/37/13/52/336371352.db2.gz SYCMJWRIUWSWSI-RDJZCZTQSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834246 336371353 /nfs/dbraw/zinc/37/13/53/336371353.db2.gz SYCMJWRIUWSWSI-RDJZCZTQSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1ccc(OC2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)cc1 ZINC000353447131 336418291 /nfs/dbraw/zinc/41/82/91/336418291.db2.gz HOXWDTNSRCNOSD-UHFFFAOYSA-N 2 2 324.468 4.174 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000354540408 336474048 /nfs/dbraw/zinc/47/40/48/336474048.db2.gz KGVBHLHTSQXNCA-PZJWPPBQSA-N 2 2 324.468 4.080 20 0 DIADLP Cc1cccc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[nH+]1 ZINC000354797472 336482850 /nfs/dbraw/zinc/48/28/50/336482850.db2.gz WNYHTAAHFXYQLI-OAHLLOKOSA-N 2 2 323.362 4.124 20 0 DIADLP Cc1cccc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000355067754 336493715 /nfs/dbraw/zinc/49/37/15/336493715.db2.gz WSOKEWRJMAYRFH-SFHVURJKSA-N 2 2 323.484 4.014 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000358223680 336617816 /nfs/dbraw/zinc/61/78/16/336617816.db2.gz OZFICWTUDXRNOV-KXBFYZLASA-N 2 2 305.425 4.105 20 0 DIADLP C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358240714 336618902 /nfs/dbraw/zinc/61/89/02/336618902.db2.gz RQPBKCCPZXMYCK-KBXCAEBGSA-N 2 2 321.449 4.370 20 0 DIADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1cccc(Cl)c1F ZINC000359437427 336673032 /nfs/dbraw/zinc/67/30/32/336673032.db2.gz YLBFLGBGLDONFS-MRXNPFEDSA-N 2 2 306.812 4.466 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000359626556 336680789 /nfs/dbraw/zinc/68/07/89/336680789.db2.gz APDYZWYCKAQSTF-OAQYLSRUSA-N 2 2 323.484 4.033 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC(C)(C)c3ccccc31)CCC2 ZINC000361661814 336767691 /nfs/dbraw/zinc/76/76/91/336767691.db2.gz HDJGTDANXHJDKC-YJBOKZPZSA-N 2 2 309.457 4.081 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC(OC3CCCCC3)CC2)c[nH+]1 ZINC000361800871 336773254 /nfs/dbraw/zinc/77/32/54/336773254.db2.gz UUUOYBFTYNCECJ-UHFFFAOYSA-N 2 2 316.489 4.136 20 0 DIADLP C[C@@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(C)(C)C ZINC000443191286 336902093 /nfs/dbraw/zinc/90/20/93/336902093.db2.gz HDUCXMGSPJVZJN-INIZCTEOSA-N 2 2 303.494 4.102 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373524630 336963837 /nfs/dbraw/zinc/96/38/37/336963837.db2.gz UBZYDZAFBIWPHA-JEYLPNPQSA-N 2 2 321.534 4.242 20 0 DIADLP Clc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)cc1 ZINC000375266052 337006816 /nfs/dbraw/zinc/00/68/16/337006816.db2.gz CZYXHMOIMVFCCA-SFHVURJKSA-N 2 2 315.848 4.114 20 0 DIADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)c2ccccc21 ZINC000375273221 337007064 /nfs/dbraw/zinc/00/70/64/337007064.db2.gz YLVJALZNHPAUQC-OALUTQOASA-N 2 2 309.457 4.194 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000123026467 337034180 /nfs/dbraw/zinc/03/41/80/337034180.db2.gz XXWAUIKRQZAIIM-GOSISDBHSA-N 2 2 323.484 4.014 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376490877 337034738 /nfs/dbraw/zinc/03/47/38/337034738.db2.gz IKQZWWDMAKAPLT-UHFFFAOYSA-N 2 2 307.397 4.049 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376490877 337034739 /nfs/dbraw/zinc/03/47/39/337034739.db2.gz IKQZWWDMAKAPLT-UHFFFAOYSA-N 2 2 307.397 4.049 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1csc(Cl)c1)CCC2 ZINC000376995235 337044789 /nfs/dbraw/zinc/04/47/89/337044789.db2.gz OHTXPHYRIVEOJW-NWDGAFQWSA-N 2 2 309.866 4.135 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798943 337061335 /nfs/dbraw/zinc/06/13/35/337061335.db2.gz OTMIXEXWTDIPRW-GXFFZTMASA-N 2 2 315.804 4.017 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798943 337061336 /nfs/dbraw/zinc/06/13/36/337061336.db2.gz OTMIXEXWTDIPRW-GXFFZTMASA-N 2 2 315.804 4.017 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000173349018 337134771 /nfs/dbraw/zinc/13/47/71/337134771.db2.gz VMYOKQZVBBCAQM-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000177935566 337159235 /nfs/dbraw/zinc/15/92/35/337159235.db2.gz ZMPMJACCJOPMSK-OAQYLSRUSA-N 2 2 317.436 4.017 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccoc1 ZINC000178795146 337165069 /nfs/dbraw/zinc/16/50/69/337165069.db2.gz VWQNLKMBKLMREJ-ZQIUZPCESA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccoc1 ZINC000178795146 337165070 /nfs/dbraw/zinc/16/50/70/337165070.db2.gz VWQNLKMBKLMREJ-ZQIUZPCESA-N 2 2 304.459 4.075 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1F ZINC000180415176 337174448 /nfs/dbraw/zinc/17/44/48/337174448.db2.gz HAVHGIYOFAGCBY-QGZVFWFLSA-N 2 2 301.409 4.154 20 0 DIADLP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582926614 337215584 /nfs/dbraw/zinc/21/55/84/337215584.db2.gz CFYBNECSOZOULF-OAHLLOKOSA-N 2 2 308.897 4.329 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273212 337299185 /nfs/dbraw/zinc/29/91/85/337299185.db2.gz JKZIFBOJRXHFFG-JXFKEZNVSA-N 2 2 319.452 4.093 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273212 337299186 /nfs/dbraw/zinc/29/91/86/337299186.db2.gz JKZIFBOJRXHFFG-JXFKEZNVSA-N 2 2 319.452 4.093 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193143729 337309765 /nfs/dbraw/zinc/30/97/65/337309765.db2.gz IZZLCANLXMSFSJ-GJYPPUQNSA-N 2 2 315.505 4.021 20 0 DIADLP Cc1cccc(C)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000583774431 337332158 /nfs/dbraw/zinc/33/21/58/337332158.db2.gz PZDRBSLVBWSZTF-UHFFFAOYSA-N 2 2 311.473 4.192 20 0 DIADLP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796859 337388526 /nfs/dbraw/zinc/38/85/26/337388526.db2.gz SVVVCMHKMCJDKV-MRXNPFEDSA-N 2 2 305.425 4.434 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000237835495 337469561 /nfs/dbraw/zinc/46/95/61/337469561.db2.gz UQRYDWYBSSGTPB-QGZVFWFLSA-N 2 2 323.440 4.347 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421368016 337532782 /nfs/dbraw/zinc/53/27/82/337532782.db2.gz FPDNLDFJCFHHCY-KRWDZBQOSA-N 2 2 304.384 4.309 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000571961015 337584140 /nfs/dbraw/zinc/58/41/40/337584140.db2.gz URWYNXBKJWYGMT-UHFFFAOYSA-N 2 2 300.833 4.255 20 0 DIADLP C[C@H](CCC1CCCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000572287315 337604975 /nfs/dbraw/zinc/60/49/75/337604975.db2.gz LVEXCSUHGWUISE-QGZVFWFLSA-N 2 2 311.473 4.380 20 0 DIADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422758209 337685171 /nfs/dbraw/zinc/68/51/71/337685171.db2.gz IMZNSALBHIWNCP-BZSNNMDCSA-N 2 2 302.368 4.150 20 0 DIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000422765597 337685670 /nfs/dbraw/zinc/68/56/70/337685670.db2.gz QMBJLXHIAGVCPD-YFVAEKQCSA-N 2 2 323.484 4.071 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OCC2CC2)c1 ZINC000422870657 337689337 /nfs/dbraw/zinc/68/93/37/337689337.db2.gz XULXHIZXROXJHD-WOJBJXKFSA-N 2 2 322.452 4.018 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC(C)C)c1 ZINC000422870159 337689349 /nfs/dbraw/zinc/68/93/49/337689349.db2.gz BFCUBTDHGPCMCM-RBUKOAKNSA-N 2 2 310.441 4.017 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)c2ccccc21 ZINC000423118756 337700407 /nfs/dbraw/zinc/70/04/07/337700407.db2.gz AEEMOJQMNZYWSF-RDBSUJKOSA-N 2 2 304.846 4.123 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146421 337701640 /nfs/dbraw/zinc/70/16/40/337701640.db2.gz PECOVWJDXRUXDE-QYZOEREBSA-N 2 2 314.379 4.077 20 0 DIADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1csc(-c2ccccc2)n1 ZINC000423174457 337702334 /nfs/dbraw/zinc/70/23/34/337702334.db2.gz ASKOMJCUTSEUGN-CQSZACIVSA-N 2 2 315.486 4.122 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1 ZINC000423221792 337705384 /nfs/dbraw/zinc/70/53/84/337705384.db2.gz YEISPLQAJWESRB-AWEZNQCLSA-N 2 2 318.424 4.322 20 0 DIADLP C[C@@H]([NH2+]CCCc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536847892 337744572 /nfs/dbraw/zinc/74/45/72/337744572.db2.gz WYBCVQCIIOUNNN-OAHLLOKOSA-N 2 2 311.454 4.217 20 0 DIADLP c1cn(CCCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)c[nH+]1 ZINC000527643628 337753956 /nfs/dbraw/zinc/75/39/56/337753956.db2.gz VKTXAVJJLGLFOM-UXHICEINSA-N 2 2 311.473 4.369 20 0 DIADLP C[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000537605600 337947474 /nfs/dbraw/zinc/94/74/74/337947474.db2.gz RWPIHIPPGYQBJQ-OAQYLSRUSA-N 2 2 317.436 4.214 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000515918723 338001180 /nfs/dbraw/zinc/00/11/80/338001180.db2.gz RRRRCAWYEJPZBN-GOSISDBHSA-N 2 2 323.484 4.274 20 0 DIADLP CCCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000516348137 338010349 /nfs/dbraw/zinc/01/03/49/338010349.db2.gz ORQSVGLOEDUMPZ-INIZCTEOSA-N 2 2 320.443 4.352 20 0 DIADLP COc1ccc([C@@H](C)CC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000516347554 338010407 /nfs/dbraw/zinc/01/04/07/338010407.db2.gz BPTCGBGFJWPXQW-INIZCTEOSA-N 2 2 312.457 4.115 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc3ccc(C)cc3o1)CCC2 ZINC000426027783 338019839 /nfs/dbraw/zinc/01/98/39/338019839.db2.gz CJJIMWRDSOARCM-WBVHZDCISA-N 2 2 323.440 4.474 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432246717 338150596 /nfs/dbraw/zinc/15/05/96/338150596.db2.gz PAVFINMSQOLQES-UHFFFAOYSA-N 2 2 307.290 4.019 20 0 DIADLP CCC[C@@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000433148885 338183035 /nfs/dbraw/zinc/18/30/35/338183035.db2.gz CBUAFTJWWHZEQH-MOPGFXCFSA-N 2 2 311.473 4.032 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985900 338228948 /nfs/dbraw/zinc/22/89/48/338228948.db2.gz LFUMWCMKHHHPFL-KRWDZBQOSA-N 2 2 303.837 4.394 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000162849160 338234588 /nfs/dbraw/zinc/23/45/88/338234588.db2.gz RKHPIPYZZUCIJS-LBPRGKRZSA-N 2 2 309.866 4.339 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788517 338249295 /nfs/dbraw/zinc/24/92/95/338249295.db2.gz FIAKHWWMOQFZAN-MQGJPIDWSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788517 338249296 /nfs/dbraw/zinc/24/92/96/338249296.db2.gz FIAKHWWMOQFZAN-MQGJPIDWSA-N 2 2 320.480 4.358 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000436229908 338262567 /nfs/dbraw/zinc/26/25/67/338262567.db2.gz FUSSWTRKSPRXQX-PMACEKPBSA-N 2 2 323.484 4.275 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)c[nH+]1 ZINC000437350430 338307590 /nfs/dbraw/zinc/30/75/90/338307590.db2.gz BZVPFCSSVUZVCW-WOJBJXKFSA-N 2 2 318.505 4.286 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000438087904 338330681 /nfs/dbraw/zinc/33/06/81/338330681.db2.gz ZPWODZJODZSUQJ-CABCVRRESA-N 2 2 323.362 4.083 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156191336 338344709 /nfs/dbraw/zinc/34/47/09/338344709.db2.gz DWXIGQZEYMVZCM-GVXVVHGQSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156191336 338344710 /nfs/dbraw/zinc/34/47/10/338344710.db2.gz DWXIGQZEYMVZCM-GVXVVHGQSA-N 2 2 301.261 4.127 20 0 DIADLP FC(F)C1CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000442640876 338426523 /nfs/dbraw/zinc/42/65/23/338426523.db2.gz CMWBVFSJBHTHIY-ABHNRTSZSA-N 2 2 322.443 4.237 20 0 DIADLP CC(C)[NH+](CCC[NH2+]Cc1ncc(C(C)(C)C)s1)C(C)C ZINC000447924925 338571543 /nfs/dbraw/zinc/57/15/43/338571543.db2.gz HUZLGSJGNKTKBX-UHFFFAOYSA-N 2 2 311.539 4.039 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cc2ccoc2)c(C)c1 ZINC000449195357 338601444 /nfs/dbraw/zinc/60/14/44/338601444.db2.gz VCJCPEITQSQHQH-YLJYHZDGSA-N 2 2 323.440 4.055 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450714572 338700702 /nfs/dbraw/zinc/70/07/02/338700702.db2.gz VERLETZYAQBGND-GOEBONIOSA-N 2 2 319.399 4.348 20 0 DIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000453162003 338801236 /nfs/dbraw/zinc/80/12/36/338801236.db2.gz BEBWLTNKJLCLBQ-VQIMIIECSA-N 2 2 317.521 4.411 20 0 DIADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000459306131 339020671 /nfs/dbraw/zinc/02/06/71/339020671.db2.gz PXXXYLRHCXKMNX-HNNXBMFYSA-N 2 2 311.429 4.182 20 0 DIADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000459306131 339020672 /nfs/dbraw/zinc/02/06/72/339020672.db2.gz PXXXYLRHCXKMNX-HNNXBMFYSA-N 2 2 311.429 4.182 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459373376 339025380 /nfs/dbraw/zinc/02/53/80/339025380.db2.gz RZTBAPFVRFALSJ-UXLLHSPISA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459373376 339025381 /nfs/dbraw/zinc/02/53/81/339025381.db2.gz RZTBAPFVRFALSJ-UXLLHSPISA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373376 339025382 /nfs/dbraw/zinc/02/53/82/339025382.db2.gz RZTBAPFVRFALSJ-UXLLHSPISA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373376 339025383 /nfs/dbraw/zinc/02/53/83/339025383.db2.gz RZTBAPFVRFALSJ-UXLLHSPISA-N 2 2 314.464 4.149 20 0 DIADLP Cc1ccc2c(C)cc(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)[nH+]c2c1 ZINC000460954036 339055948 /nfs/dbraw/zinc/05/59/48/339055948.db2.gz BFRURUSAKGBFSO-DNVCBOLYSA-N 2 2 320.440 4.136 20 0 DIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000462885286 339096147 /nfs/dbraw/zinc/09/61/47/339096147.db2.gz SJUPCLWWXVWWMV-CVEARBPZSA-N 2 2 324.472 4.099 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)CC3CCOCC3)cc2)c1C ZINC000463041812 339102631 /nfs/dbraw/zinc/10/26/31/339102631.db2.gz HOCXFDWXYPAXAH-CQSZACIVSA-N 2 2 313.445 4.106 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782494 339153418 /nfs/dbraw/zinc/15/34/18/339153418.db2.gz XGNZQXQPBASWAW-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782494 339153419 /nfs/dbraw/zinc/15/34/19/339153419.db2.gz XGNZQXQPBASWAW-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789117 339153808 /nfs/dbraw/zinc/15/38/08/339153808.db2.gz MOZZHNOBYAOPDL-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789117 339153809 /nfs/dbraw/zinc/15/38/09/339153809.db2.gz MOZZHNOBYAOPDL-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789117 339153810 /nfs/dbraw/zinc/15/38/10/339153810.db2.gz MOZZHNOBYAOPDL-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789117 339153811 /nfs/dbraw/zinc/15/38/11/339153811.db2.gz MOZZHNOBYAOPDL-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467329550 339231820 /nfs/dbraw/zinc/23/18/20/339231820.db2.gz CCCYTSPXZDSPSB-AWEZNQCLSA-N 2 2 322.374 4.172 20 0 DIADLP Cc1cc(Cl)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000468400035 339261914 /nfs/dbraw/zinc/26/19/14/339261914.db2.gz SVZTZAJZFOSSTA-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCC1CCCCC1)CCC2 ZINC000468550470 339265981 /nfs/dbraw/zinc/26/59/81/339265981.db2.gz AJLPQLLFBLGXQM-MAUKXSAKSA-N 2 2 303.494 4.408 20 0 DIADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1)CCC2 ZINC000468551627 339266161 /nfs/dbraw/zinc/26/61/61/339266161.db2.gz DPOXRWNZGGQONG-XUVXKRRUSA-N 2 2 323.484 4.152 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468554442 339266232 /nfs/dbraw/zinc/26/62/32/339266232.db2.gz OFNMJGWGQMVCEL-NJAFHUGGSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468554442 339266233 /nfs/dbraw/zinc/26/62/33/339266233.db2.gz OFNMJGWGQMVCEL-NJAFHUGGSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469740358 339297568 /nfs/dbraw/zinc/29/75/68/339297568.db2.gz XGXKSGWTVKURAK-IERDGZPVSA-N 2 2 318.420 4.449 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)[nH]1 ZINC000471169076 339339377 /nfs/dbraw/zinc/33/93/77/339339377.db2.gz NDZLCHFWAANJGJ-IBGZPJMESA-N 2 2 319.452 4.375 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)[nH]1 ZINC000471169076 339339378 /nfs/dbraw/zinc/33/93/78/339339378.db2.gz NDZLCHFWAANJGJ-IBGZPJMESA-N 2 2 319.452 4.375 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471172621 339339487 /nfs/dbraw/zinc/33/94/87/339339487.db2.gz HWTULFDPBKNAHX-ZBFHGGJFSA-N 2 2 303.837 4.394 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471172621 339339488 /nfs/dbraw/zinc/33/94/88/339339488.db2.gz HWTULFDPBKNAHX-ZBFHGGJFSA-N 2 2 303.837 4.394 20 0 DIADLP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471578473 339347865 /nfs/dbraw/zinc/34/78/65/339347865.db2.gz RJFJKKRCKYYKEU-XZSMBWTPSA-N 2 2 308.469 4.214 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000471610626 339349362 /nfs/dbraw/zinc/34/93/62/339349362.db2.gz OGQSOCNBHPLPFG-FTRWYGJKSA-N 2 2 312.457 4.037 20 0 DIADLP C[C@H](CCc1ccsc1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471609219 339349424 /nfs/dbraw/zinc/34/94/24/339349424.db2.gz IQCCIQFCEQWSHE-MDZRGWNJSA-N 2 2 316.514 4.350 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000471618587 339349774 /nfs/dbraw/zinc/34/97/74/339349774.db2.gz KJHVPUJRKGONSH-NJSLBKSFSA-N 2 2 318.411 4.307 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471618586 339349893 /nfs/dbraw/zinc/34/98/93/339349893.db2.gz KJHVPUJRKGONSH-KSMMKXTCSA-N 2 2 318.411 4.307 20 0 DIADLP c1csc([C@H](C[NH2+][C@@H]2CCC23CCCC3)[NH+]2CCCC2)c1 ZINC000474036999 339398204 /nfs/dbraw/zinc/39/82/04/339398204.db2.gz SAFDEUYREAUYRN-DOTOQJQBSA-N 2 2 304.503 4.197 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000474471017 339415954 /nfs/dbraw/zinc/41/59/54/339415954.db2.gz LBBYLCYHBOXECH-HUUCEWRRSA-N 2 2 300.368 4.033 20 0 DIADLP COc1ccc(C2([NH2+]CCCc3ccc(C)[nH+]c3)CCCC2)cc1 ZINC000474722912 339424027 /nfs/dbraw/zinc/42/40/27/339424027.db2.gz BNVNRNDAHNVAGS-UHFFFAOYSA-N 2 2 324.468 4.390 20 0 DIADLP Cc1ccc(SC[C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000474925351 339431336 /nfs/dbraw/zinc/43/13/36/339431336.db2.gz KOJBBSHXXBOLEL-KRWDZBQOSA-N 2 2 314.498 4.401 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@H](c4ccc(F)cc4)C3)n2c1 ZINC000475334189 339447266 /nfs/dbraw/zinc/44/72/66/339447266.db2.gz DEHPKWQJXMAKQV-WMZOPIPTSA-N 2 2 323.415 4.208 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000475556307 339454985 /nfs/dbraw/zinc/45/49/85/339454985.db2.gz UFPYANCNKPWQLD-ICSRJNTNSA-N 2 2 312.432 4.388 20 0 DIADLP c1cn(CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)c[nH+]1 ZINC000479851987 339550716 /nfs/dbraw/zinc/55/07/16/339550716.db2.gz PFDSABMUAJUBFW-MRXNPFEDSA-N 2 2 311.454 4.155 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccccc1F ZINC000480082709 339558197 /nfs/dbraw/zinc/55/81/97/339558197.db2.gz IRYORIZBLGZFJE-AWEZNQCLSA-N 2 2 311.404 4.225 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)s1 ZINC000480087015 339558497 /nfs/dbraw/zinc/55/84/97/339558497.db2.gz QSAMCRNPEBMNOL-AWEZNQCLSA-N 2 2 313.470 4.456 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@H](CC)c2cc(F)ccc2F)CC1 ZINC000481947708 339617806 /nfs/dbraw/zinc/61/78/06/339617806.db2.gz NPQAPLONXMMOTJ-GOSISDBHSA-N 2 2 310.432 4.270 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C(C)(C)c1ccccc1 ZINC000482271875 339628319 /nfs/dbraw/zinc/62/83/19/339628319.db2.gz UWSOSZINFMQRHL-QGZVFWFLSA-N 2 2 311.473 4.230 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000484085551 339680757 /nfs/dbraw/zinc/68/07/57/339680757.db2.gz XXVSKCOTUUEKIV-UHFFFAOYSA-N 2 2 321.399 4.099 20 0 DIADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)c[nH+]1 ZINC000490761670 339839689 /nfs/dbraw/zinc/83/96/89/339839689.db2.gz SQMUYRBRMUTWGM-UHFFFAOYSA-N 2 2 317.436 4.041 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000500375756 340055960 /nfs/dbraw/zinc/05/59/60/340055960.db2.gz JCJHNRWXWPTBDE-SOLBZPMBSA-N 2 2 322.443 4.237 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000500375756 340055961 /nfs/dbraw/zinc/05/59/61/340055961.db2.gz JCJHNRWXWPTBDE-SOLBZPMBSA-N 2 2 322.443 4.237 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503089720 340120748 /nfs/dbraw/zinc/12/07/48/340120748.db2.gz YMQXFVMZNJBEQN-DYESRHJHSA-N 2 2 319.452 4.428 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503089720 340120749 /nfs/dbraw/zinc/12/07/49/340120749.db2.gz YMQXFVMZNJBEQN-DYESRHJHSA-N 2 2 319.452 4.428 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000503558402 340130444 /nfs/dbraw/zinc/13/04/44/340130444.db2.gz RSUKLXANUCQUAF-HNAYVOBHSA-N 2 2 312.432 4.065 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000503558402 340130445 /nfs/dbraw/zinc/13/04/45/340130445.db2.gz RSUKLXANUCQUAF-HNAYVOBHSA-N 2 2 312.432 4.065 20 0 DIADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000507512186 340223528 /nfs/dbraw/zinc/22/35/28/340223528.db2.gz OXMMCHNXVHGVIF-INIZCTEOSA-N 2 2 315.505 4.092 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507772187 340230926 /nfs/dbraw/zinc/23/09/26/340230926.db2.gz GVMWMFNJQBJNTK-UHFFFAOYSA-N 2 2 312.432 4.019 20 0 DIADLP C(=C\[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877725 340234849 /nfs/dbraw/zinc/23/48/49/340234849.db2.gz SUIRRNRDBORNJJ-JYBLJSLWSA-N 2 2 303.409 4.012 20 0 DIADLP C(=C\[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877725 340234850 /nfs/dbraw/zinc/23/48/50/340234850.db2.gz SUIRRNRDBORNJJ-JYBLJSLWSA-N 2 2 303.409 4.012 20 0 DIADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000508666429 340250124 /nfs/dbraw/zinc/25/01/24/340250124.db2.gz ZHBZKFNKTBWERI-HNAYVOBHSA-N 2 2 320.908 4.473 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc(C)c(C)cc1C ZINC000302720457 340280100 /nfs/dbraw/zinc/28/01/00/340280100.db2.gz UEWMBQGHCLCKPJ-UHFFFAOYSA-N 2 2 307.441 4.060 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303144306 340305266 /nfs/dbraw/zinc/30/52/66/340305266.db2.gz DKPGDCIIRFKMBP-QZTJIDSGSA-N 2 2 318.480 4.475 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303144306 340305267 /nfs/dbraw/zinc/30/52/67/340305267.db2.gz DKPGDCIIRFKMBP-QZTJIDSGSA-N 2 2 318.480 4.475 20 0 DIADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000510740667 340309021 /nfs/dbraw/zinc/30/90/21/340309021.db2.gz VXVBRSCWHJESSM-SXLOBPIMSA-N 2 2 318.480 4.332 20 0 DIADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000510740635 340309122 /nfs/dbraw/zinc/30/91/22/340309122.db2.gz VLAWCSRDQJAGOI-YESZJQIVSA-N 2 2 324.509 4.393 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)[NH+](C)C)cc1 ZINC000510756917 340310002 /nfs/dbraw/zinc/31/00/02/340310002.db2.gz SUNNPHQRZOMELW-UHOSZYNNSA-N 2 2 306.469 4.106 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000510926778 340315076 /nfs/dbraw/zinc/31/50/76/340315076.db2.gz FBNITIMBPOTUBK-DAYGRLMNSA-N 2 2 300.471 4.234 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000510926778 340315077 /nfs/dbraw/zinc/31/50/77/340315077.db2.gz FBNITIMBPOTUBK-DAYGRLMNSA-N 2 2 300.471 4.234 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(SC(C)C)cc2)CC1 ZINC000511123997 340321442 /nfs/dbraw/zinc/32/14/42/340321442.db2.gz VLYTZHIURDAHBX-UHFFFAOYSA-N 2 2 306.519 4.150 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511757063 340337249 /nfs/dbraw/zinc/33/72/49/340337249.db2.gz NXIYRJGGUDHRJC-UHFFFAOYSA-N 2 2 316.448 4.354 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212689 340352535 /nfs/dbraw/zinc/35/25/35/340352535.db2.gz ODJDFDHNUKIKLC-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212689 340352536 /nfs/dbraw/zinc/35/25/36/340352536.db2.gz ODJDFDHNUKIKLC-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000512212689 340352537 /nfs/dbraw/zinc/35/25/37/340352537.db2.gz ODJDFDHNUKIKLC-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000512212689 340352538 /nfs/dbraw/zinc/35/25/38/340352538.db2.gz ODJDFDHNUKIKLC-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214236 340352766 /nfs/dbraw/zinc/35/27/66/340352766.db2.gz VKWBEIDZYSUTMT-RDJZCZTQSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214236 340352767 /nfs/dbraw/zinc/35/27/67/340352767.db2.gz VKWBEIDZYSUTMT-RDJZCZTQSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214236 340352768 /nfs/dbraw/zinc/35/27/68/340352768.db2.gz VKWBEIDZYSUTMT-RDJZCZTQSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214236 340352769 /nfs/dbraw/zinc/35/27/69/340352769.db2.gz VKWBEIDZYSUTMT-RDJZCZTQSA-N 2 2 322.443 4.051 20 0 DIADLP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000304170936 340361313 /nfs/dbraw/zinc/36/13/13/340361313.db2.gz HEERRIVARFMLQO-ROUUACIJSA-N 2 2 322.443 4.066 20 0 DIADLP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000304170936 340361314 /nfs/dbraw/zinc/36/13/14/340361314.db2.gz HEERRIVARFMLQO-ROUUACIJSA-N 2 2 322.443 4.066 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000173379252 340363757 /nfs/dbraw/zinc/36/37/57/340363757.db2.gz JVJSWNSEVXVAKY-HNNXBMFYSA-N 2 2 315.486 4.346 20 0 DIADLP CC(C)[C@@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccccc1 ZINC000513087478 340392700 /nfs/dbraw/zinc/39/27/00/340392700.db2.gz AQTQBAICFXABTC-LJQANCHMSA-N 2 2 320.440 4.178 20 0 DIADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(F)cccc1F ZINC000513122567 340394154 /nfs/dbraw/zinc/39/41/54/340394154.db2.gz OPYMHOSLQNOMHW-UHFFFAOYSA-N 2 2 318.411 4.049 20 0 DIADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1c(F)cccc1F ZINC000513122567 340394155 /nfs/dbraw/zinc/39/41/55/340394155.db2.gz OPYMHOSLQNOMHW-UHFFFAOYSA-N 2 2 318.411 4.049 20 0 DIADLP C[C@H]1CCC[C@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513204900 340397131 /nfs/dbraw/zinc/39/71/31/340397131.db2.gz WWJRRYZTSZBTSW-LSDHHAIUSA-N 2 2 320.443 4.209 20 0 DIADLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513234106 340398570 /nfs/dbraw/zinc/39/85/70/340398570.db2.gz SFFDBZZFGIOFHP-MRXNPFEDSA-N 2 2 308.897 4.473 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186293407 340510605 /nfs/dbraw/zinc/51/06/05/340510605.db2.gz VIMVMEMPXGVAHY-AWEZNQCLSA-N 2 2 309.523 4.182 20 0 DIADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCCC4)CC2)cc1 ZINC000189072989 340526183 /nfs/dbraw/zinc/52/61/83/340526183.db2.gz QSPDOHZXLJKWJL-IBGZPJMESA-N 2 2 316.464 4.103 20 0 DIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000522536287 340603612 /nfs/dbraw/zinc/60/36/12/340603612.db2.gz GVBFTCQWRIWOLY-AWEZNQCLSA-N 2 2 318.848 4.248 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000236646108 340663335 /nfs/dbraw/zinc/66/33/35/340663335.db2.gz YVFPKPTUYFQZIJ-UHFFFAOYSA-N 2 2 312.457 4.299 20 0 DIADLP CCc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000315134961 340675803 /nfs/dbraw/zinc/67/58/03/340675803.db2.gz ZDXZZMWWEPTMTD-LJQANCHMSA-N 2 2 314.498 4.237 20 0 DIADLP CCOc1cccc2cc([C@H](C)[NH2+]CCc3cc[nH+]cc3C)oc21 ZINC000538407546 340821697 /nfs/dbraw/zinc/82/16/97/340821697.db2.gz FNGSENCGNQAKCS-HNNXBMFYSA-N 2 2 324.424 4.428 20 0 DIADLP Fc1ccccc1[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000539164614 340875430 /nfs/dbraw/zinc/87/54/30/340875430.db2.gz XJAHAIIQBWNQFV-LJQANCHMSA-N 2 2 315.436 4.324 20 0 DIADLP Cc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000540908300 340951117 /nfs/dbraw/zinc/95/11/17/340951117.db2.gz FTXZCTQKGNORFW-OAQYLSRUSA-N 2 2 319.452 4.351 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)c1ccccc1 ZINC000543394666 341041705 /nfs/dbraw/zinc/04/17/05/341041705.db2.gz XJIPBPPCEOMEQL-ZBFHGGJFSA-N 2 2 316.411 4.390 20 0 DIADLP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397751 341042266 /nfs/dbraw/zinc/04/22/66/341042266.db2.gz DRBYAPJZWUYWNH-RDJZCZTQSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397751 341042267 /nfs/dbraw/zinc/04/22/67/341042267.db2.gz DRBYAPJZWUYWNH-RDJZCZTQSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCCC1 ZINC000543411154 341042897 /nfs/dbraw/zinc/04/28/97/341042897.db2.gz DTPJUBGZHCGOMO-QGZVFWFLSA-N 2 2 311.473 4.380 20 0 DIADLP CS[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000544386122 341079642 /nfs/dbraw/zinc/07/96/42/341079642.db2.gz SSDKOXFUPDAWBB-WMLDXEAASA-N 2 2 317.502 4.301 20 0 DIADLP CCCc1[nH+]ccn1CC(Cn1cc[nH+]c1CCC)C(C)(C)C ZINC000544618789 341089521 /nfs/dbraw/zinc/08/95/21/341089521.db2.gz DIWUSMSSWGXPBE-UHFFFAOYSA-N 2 2 316.493 4.347 20 0 DIADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000545519361 341128286 /nfs/dbraw/zinc/12/82/86/341128286.db2.gz CTIHPGLHJWRLMT-GOSISDBHSA-N 2 2 323.484 4.014 20 0 DIADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000546573565 341173269 /nfs/dbraw/zinc/17/32/69/341173269.db2.gz BPFZTBNYMIGEHY-GOSISDBHSA-N 2 2 321.468 4.051 20 0 DIADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000546573565 341173270 /nfs/dbraw/zinc/17/32/70/341173270.db2.gz BPFZTBNYMIGEHY-GOSISDBHSA-N 2 2 321.468 4.051 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000133976202 341203605 /nfs/dbraw/zinc/20/36/05/341203605.db2.gz FSYSAWKSELPZPV-AZUAARDMSA-N 2 2 323.484 4.056 20 0 DIADLP CCc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000237131778 341207818 /nfs/dbraw/zinc/20/78/18/341207818.db2.gz ZKHRYFIDUXRFGR-UHFFFAOYSA-N 2 2 307.441 4.230 20 0 DIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000547395567 341210765 /nfs/dbraw/zinc/21/07/65/341210765.db2.gz SUKZVGDESYROGT-WCQYABFASA-N 2 2 313.272 4.055 20 0 DIADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000547395567 341210766 /nfs/dbraw/zinc/21/07/66/341210766.db2.gz SUKZVGDESYROGT-WCQYABFASA-N 2 2 313.272 4.055 20 0 DIADLP C[C@H]([NH2+]Cc1ccnc2ccccc12)[C@H](c1ccccc1)[NH+](C)C ZINC000547435804 341213491 /nfs/dbraw/zinc/21/34/91/341213491.db2.gz ADEMDLIKSPYIMH-HRAATJIYSA-N 2 2 319.452 4.016 20 0 DIADLP C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000547435805 341213531 /nfs/dbraw/zinc/21/35/31/341213531.db2.gz ADEMDLIKSPYIMH-IERDGZPVSA-N 2 2 319.452 4.016 20 0 DIADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237530917 341215291 /nfs/dbraw/zinc/21/52/91/341215291.db2.gz LLOUYZBGNNFCQB-XLIONFOSSA-N 2 2 312.457 4.027 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136204395 341254809 /nfs/dbraw/zinc/25/48/09/341254809.db2.gz LQTPBLVERRKWIZ-CZUORRHYSA-N 2 2 312.860 4.108 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136204395 341254810 /nfs/dbraw/zinc/25/48/10/341254810.db2.gz LQTPBLVERRKWIZ-CZUORRHYSA-N 2 2 312.860 4.108 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143767 341287168 /nfs/dbraw/zinc/28/71/68/341287168.db2.gz OXITXZNMPBEWAQ-MNAPGUCWSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143767 341287169 /nfs/dbraw/zinc/28/71/69/341287169.db2.gz OXITXZNMPBEWAQ-MNAPGUCWSA-N 2 2 320.480 4.043 20 0 DIADLP Cc1ccc(CCC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)c[nH+]1 ZINC000549449827 341294919 /nfs/dbraw/zinc/29/49/19/341294919.db2.gz ROFLTGAHDIWLSI-LJQANCHMSA-N 2 2 316.395 4.032 20 0 DIADLP Cc1ccc(CCC[N@H+]2CC[C@](F)(c3ccccc3F)C2)c[nH+]1 ZINC000549449827 341294920 /nfs/dbraw/zinc/29/49/20/341294920.db2.gz ROFLTGAHDIWLSI-LJQANCHMSA-N 2 2 316.395 4.032 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245564131 341302311 /nfs/dbraw/zinc/30/23/11/341302311.db2.gz DFQUWUKLFCFWCW-HUUCEWRRSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245564131 341302312 /nfs/dbraw/zinc/30/23/12/341302312.db2.gz DFQUWUKLFCFWCW-HUUCEWRRSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245564131 341302313 /nfs/dbraw/zinc/30/23/13/341302313.db2.gz DFQUWUKLFCFWCW-HUUCEWRRSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245564131 341302314 /nfs/dbraw/zinc/30/23/14/341302314.db2.gz DFQUWUKLFCFWCW-HUUCEWRRSA-N 2 2 309.523 4.052 20 0 DIADLP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590744 341303871 /nfs/dbraw/zinc/30/38/71/341303871.db2.gz LDHDPOYMNUGEQP-QEORTHHSSA-N 2 2 312.860 4.106 20 0 DIADLP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590744 341303872 /nfs/dbraw/zinc/30/38/72/341303872.db2.gz LDHDPOYMNUGEQP-QEORTHHSSA-N 2 2 312.860 4.106 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063606 341309330 /nfs/dbraw/zinc/30/93/30/341309330.db2.gz LUXHPFCBEAMZLA-ZWKOTPCHSA-N 2 2 313.489 4.288 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063606 341309331 /nfs/dbraw/zinc/30/93/31/341309331.db2.gz LUXHPFCBEAMZLA-ZWKOTPCHSA-N 2 2 313.489 4.288 20 0 DIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Cl ZINC000550287193 341314402 /nfs/dbraw/zinc/31/44/02/341314402.db2.gz TWBPQLMHOVCIME-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 ZINC000550624264 341319716 /nfs/dbraw/zinc/31/97/16/341319716.db2.gz MDWRYVZOWGUZGT-QUCCMNQESA-N 2 2 320.436 4.358 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 ZINC000550624264 341319717 /nfs/dbraw/zinc/31/97/17/341319717.db2.gz MDWRYVZOWGUZGT-QUCCMNQESA-N 2 2 320.436 4.358 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)c2ccccc21 ZINC000550679978 341321273 /nfs/dbraw/zinc/32/12/73/341321273.db2.gz DRQLPKJQCHPHOW-PJSUUKDQSA-N 2 2 312.432 4.112 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)c2ccccc21 ZINC000550679978 341321274 /nfs/dbraw/zinc/32/12/74/341321274.db2.gz DRQLPKJQCHPHOW-PJSUUKDQSA-N 2 2 312.432 4.112 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000551085943 341331191 /nfs/dbraw/zinc/33/11/91/341331191.db2.gz JVRVGCDYOSJQCI-GOSISDBHSA-N 2 2 311.473 4.208 20 0 DIADLP COc1ccc([C@H](C[NH2+]C2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000551174141 341333060 /nfs/dbraw/zinc/33/30/60/341333060.db2.gz JKDNVUWCBJMYIR-FQEVSTJZSA-N 2 2 316.489 4.145 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H](C)c1ccc(Cl)cc1 ZINC000551572869 341346003 /nfs/dbraw/zinc/34/60/03/341346003.db2.gz XOOCOASLMYNDQJ-UONOGXRCSA-N 2 2 317.864 4.155 20 0 DIADLP Cc1ccccc1C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000551790088 341351749 /nfs/dbraw/zinc/35/17/49/341351749.db2.gz WWKJSAOGYFHXRE-HXUWFJFHSA-N 2 2 323.484 4.193 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000551812650 341352664 /nfs/dbraw/zinc/35/26/64/341352664.db2.gz OWHHUWMWFNZGBA-KRWDZBQOSA-N 2 2 315.848 4.040 20 0 DIADLP Cc1ccc(CCC[NH2+]CCc2cc3ccccc3s2)c[nH+]1 ZINC000552111507 341370458 /nfs/dbraw/zinc/37/04/58/341370458.db2.gz DVFMJOMJRSHMNU-UHFFFAOYSA-N 2 2 310.466 4.370 20 0 DIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000248446191 341377976 /nfs/dbraw/zinc/37/79/76/341377976.db2.gz CMMDNMQSRUYBHD-FXAWDEMLSA-N 2 2 312.457 4.079 20 0 DIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000248446191 341377977 /nfs/dbraw/zinc/37/79/77/341377977.db2.gz CMMDNMQSRUYBHD-FXAWDEMLSA-N 2 2 312.457 4.079 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000249010149 341392070 /nfs/dbraw/zinc/39/20/70/341392070.db2.gz OKQSSPGBMSCFAL-HUUCEWRRSA-N 2 2 309.523 4.182 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000249010149 341392071 /nfs/dbraw/zinc/39/20/71/341392071.db2.gz OKQSSPGBMSCFAL-HUUCEWRRSA-N 2 2 309.523 4.182 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000552579255 341399579 /nfs/dbraw/zinc/39/95/79/341399579.db2.gz ZOCMGTWXYNRAHT-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP CCOc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1Cl ZINC000572562915 341511642 /nfs/dbraw/zinc/51/16/42/341511642.db2.gz GYPBERFKWYJKHR-UHFFFAOYSA-N 2 2 318.848 4.165 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)n1C ZINC000565236468 341520888 /nfs/dbraw/zinc/52/08/88/341520888.db2.gz APGRDPFDYUAURO-KBXCAEBGSA-N 2 2 309.457 4.118 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000566036520 341546168 /nfs/dbraw/zinc/54/61/68/341546168.db2.gz LEEYCPLMTLJAHR-UHFFFAOYSA-N 2 2 314.860 4.297 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1C ZINC000566499357 341560154 /nfs/dbraw/zinc/56/01/54/341560154.db2.gz QSZMMUGYNNALEU-RDJZCZTQSA-N 2 2 317.864 4.198 20 0 DIADLP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000566720436 341566265 /nfs/dbraw/zinc/56/62/65/341566265.db2.gz CXNRSCLUFCOKRM-JKSUJKDBSA-N 2 2 303.494 4.021 20 0 DIADLP Clc1cccc(Cl)c1[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000567243397 341590904 /nfs/dbraw/zinc/59/09/04/341590904.db2.gz LRUYLHPQYJDKOA-INIZCTEOSA-N 2 2 324.255 4.321 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000568624479 341676722 /nfs/dbraw/zinc/67/67/22/341676722.db2.gz LIZGDCBYRMSZDB-MRXNPFEDSA-N 2 2 308.347 4.216 20 0 DIADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc43)CC2)cc1 ZINC000165359463 341711308 /nfs/dbraw/zinc/71/13/08/341711308.db2.gz FAFPXWYJCKAEGM-NRFANRHFSA-N 2 2 324.443 4.067 20 0 DIADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000574001807 341745639 /nfs/dbraw/zinc/74/56/39/341745639.db2.gz LVECGTRFBBYDFJ-RTWAWAEBSA-N 2 2 324.468 4.141 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000580677395 341896271 /nfs/dbraw/zinc/89/62/71/341896271.db2.gz NLVRDZXLHFKTSW-AWEZNQCLSA-N 2 2 320.383 4.275 20 0 DIADLP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(OC)c1 ZINC000156149046 522590327 /nfs/dbraw/zinc/59/03/27/522590327.db2.gz PSTSSVVCPXBAFV-KRWDZBQOSA-N 2 2 323.440 4.245 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000189826924 525324835 /nfs/dbraw/zinc/32/48/35/525324835.db2.gz MHJOMASXFYFGOV-PMACEKPBSA-N 2 2 309.457 4.030 20 0 DIADLP C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182236109 525394612 /nfs/dbraw/zinc/39/46/12/525394612.db2.gz AGSJENFWKASPBU-OAHLLOKOSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(-c2ccccc2)o1 ZINC000367435107 525549970 /nfs/dbraw/zinc/54/99/70/525549970.db2.gz ARKQOEVXIILWDK-OAHLLOKOSA-N 2 2 321.424 4.330 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000190942265 525564672 /nfs/dbraw/zinc/56/46/72/525564672.db2.gz WRCFYWTZFISDKO-KBXCAEBGSA-N 2 2 307.397 4.194 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@](C)(c3ccccc3)C1)CCC2 ZINC000364158952 525939428 /nfs/dbraw/zinc/93/94/28/525939428.db2.gz WMLMXRSNRJPTDQ-DSKINZAPSA-N 2 2 323.484 4.169 20 0 DIADLP C[C@H](c1cccs1)[N@H+](Cc1c[nH+]cn1C)Cc1ccccc1 ZINC000267559821 526154658 /nfs/dbraw/zinc/15/46/58/526154658.db2.gz ATOIYUUSKCPDHX-OAHLLOKOSA-N 2 2 311.454 4.245 20 0 DIADLP C[C@H](c1cccs1)[N@@H+](Cc1c[nH+]cn1C)Cc1ccccc1 ZINC000267559821 526154667 /nfs/dbraw/zinc/15/46/67/526154667.db2.gz ATOIYUUSKCPDHX-OAHLLOKOSA-N 2 2 311.454 4.245 20 0 DIADLP c1cn(CCC[NH2+]Cc2ccc(Sc3ccccc3)cc2)c[nH+]1 ZINC000338322733 526531912 /nfs/dbraw/zinc/53/19/12/526531912.db2.gz JVGBHWAWDSDMAP-UHFFFAOYSA-N 2 2 323.465 4.214 20 0 DIADLP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000266705626 526943493 /nfs/dbraw/zinc/94/34/93/526943493.db2.gz DPEWBACOPKHZLC-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2F)cc1 ZINC000338008276 527380735 /nfs/dbraw/zinc/38/07/35/527380735.db2.gz PMZSYUVAACDXAL-ZIAGYGMSSA-N 2 2 324.403 4.127 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000284393792 535018957 /nfs/dbraw/zinc/01/89/57/535018957.db2.gz PIECBOZDFJRTOH-UONOGXRCSA-N 2 2 321.852 4.063 20 0 DIADLP c1ccc2c(c1)cc[nH+]c2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046884 721966348 /nfs/dbraw/zinc/96/63/48/721966348.db2.gz PQOWGHPOXJWNGI-SFHVURJKSA-N 2 2 309.457 4.080 20 0 DIADLP CC[NH+](CC)C1CCN(c2cc(C)c3cccc(C)c3[nH+]2)CC1 ZINC001165051960 722000618 /nfs/dbraw/zinc/00/06/18/722000618.db2.gz KOEFVFZJFCOUSQ-UHFFFAOYSA-N 2 2 311.473 4.162 20 0 DIADLP CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246482162 1058961459 /nfs/dbraw/zinc/96/14/59/1058961459.db2.gz FMGYLXZCJODFSX-WCFLWFBJSA-N 2 2 301.261 4.175 20 0 DIADLP CC[NH+](CC)C1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC001167061659 1035678573 /nfs/dbraw/zinc/67/85/73/1035678573.db2.gz BSBAZMAWFVTHCW-LJQANCHMSA-N 2 2 322.537 4.065 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000035625578 1035757316 /nfs/dbraw/zinc/75/73/16/1035757316.db2.gz LIMWYPYAVMMISM-OAHLLOKOSA-N 2 2 301.261 4.128 20 0 DIADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000037158365 1035957796 /nfs/dbraw/zinc/95/77/96/1035957796.db2.gz BXMJOYYECRCERD-ABAIWWIYSA-N 2 2 312.244 4.319 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000317239150 1036543769 /nfs/dbraw/zinc/54/37/69/1036543769.db2.gz MCPAVUMYWYJVHU-SJORKVTESA-N 2 2 317.864 4.228 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683690737 1036712453 /nfs/dbraw/zinc/71/24/53/1036712453.db2.gz PPKCYGISVQTRHC-BPQIPLTHSA-N 2 2 311.473 4.118 20 0 DIADLP C[C@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706091 1036737141 /nfs/dbraw/zinc/73/71/41/1036737141.db2.gz BPQPLRRYNVZYQN-XLIONFOSSA-N 2 2 319.452 4.097 20 0 DIADLP C[C@@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706090 1036738957 /nfs/dbraw/zinc/73/89/57/1036738957.db2.gz BPQPLRRYNVZYQN-PXNSSMCTSA-N 2 2 319.452 4.097 20 0 DIADLP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)s1 ZINC000312755521 1037014896 /nfs/dbraw/zinc/01/48/96/1037014896.db2.gz BXMWQGNUQZWSIL-SDDRHHMPSA-N 2 2 319.301 4.065 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000647182960 1038019457 /nfs/dbraw/zinc/01/94/57/1038019457.db2.gz BYBHARSQCLKXDE-CQSZACIVSA-N 2 2 310.432 4.283 20 0 DIADLP c1ccc2c(c1)cc1ccccc1c2C[NH2+]CC[NH+]1CCCC1 ZINC000060844450 1038056494 /nfs/dbraw/zinc/05/64/94/1038056494.db2.gz ZOIHGJFAVIATRL-UHFFFAOYSA-N 2 2 304.437 4.178 20 0 DIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000341696474 1038228899 /nfs/dbraw/zinc/22/88/99/1038228899.db2.gz QWILFJNETVLICP-FQEVSTJZSA-N 2 2 321.399 4.179 20 0 DIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000341714981 1038241957 /nfs/dbraw/zinc/24/19/57/1038241957.db2.gz USKKPZLNNYXVHL-SFHVURJKSA-N 2 2 313.420 4.080 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694817 1038273650 /nfs/dbraw/zinc/27/36/50/1038273650.db2.gz SUUHKUVKAZGMSM-FXAWDEMLSA-N 2 2 321.468 4.086 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@H+]([C@@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694817 1038273659 /nfs/dbraw/zinc/27/36/59/1038273659.db2.gz SUUHKUVKAZGMSM-FXAWDEMLSA-N 2 2 321.468 4.086 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2sccc21 ZINC000061327985 1038313134 /nfs/dbraw/zinc/31/31/34/1038313134.db2.gz SFEOETZDFMPIMI-HOCLYGCPSA-N 2 2 303.475 4.027 20 0 DIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000604414974 1038411164 /nfs/dbraw/zinc/41/11/64/1038411164.db2.gz YAQVMABQWSHSNS-UHFFFAOYSA-N 2 2 318.436 4.214 20 0 DIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000604414974 1038411170 /nfs/dbraw/zinc/41/11/70/1038411170.db2.gz YAQVMABQWSHSNS-UHFFFAOYSA-N 2 2 318.436 4.214 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCc4sccc43)c2)c[nH+]1 ZINC000151344802 1038437868 /nfs/dbraw/zinc/43/78/68/1038437868.db2.gz KMTVUBKTZZTIJT-GOSISDBHSA-N 2 2 323.465 4.160 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000152095110 1038568250 /nfs/dbraw/zinc/56/82/50/1038568250.db2.gz LYPJWOBOSCCSJA-OAQYLSRUSA-N 2 2 319.452 4.481 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)c[nH+]1 ZINC000152113657 1038571945 /nfs/dbraw/zinc/57/19/45/1038571945.db2.gz QUMRTQLDSPIDRE-GOSISDBHSA-N 2 2 323.465 4.160 20 0 DIADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000152232552 1038597145 /nfs/dbraw/zinc/59/71/45/1038597145.db2.gz MHVJYNHUKFBVLU-KRWDZBQOSA-N 2 2 321.424 4.269 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000152246064 1038597742 /nfs/dbraw/zinc/59/77/42/1038597742.db2.gz DWJQOLOXXJWHGA-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152261622 1038598761 /nfs/dbraw/zinc/59/87/61/1038598761.db2.gz DAAADGHEIJUSCY-SFHVURJKSA-N 2 2 323.827 4.303 20 0 DIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152272234 1038600051 /nfs/dbraw/zinc/60/00/51/1038600051.db2.gz QBLQMFKMEXBMAR-JLTOFOAXSA-N 2 2 321.399 4.035 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000152266629 1038600723 /nfs/dbraw/zinc/60/07/23/1038600723.db2.gz ZTWJTCPRBVBZOU-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@@H]1c1ccccc1 ZINC000582291547 1038628716 /nfs/dbraw/zinc/62/87/16/1038628716.db2.gz IAGKPUNVXDWPPJ-WOJBJXKFSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@@H]1c1ccccc1 ZINC000582291547 1038628718 /nfs/dbraw/zinc/62/87/18/1038628718.db2.gz IAGKPUNVXDWPPJ-WOJBJXKFSA-N 2 2 324.443 4.240 20 0 DIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000152826426 1038724098 /nfs/dbraw/zinc/72/40/98/1038724098.db2.gz USFZRCXNILDKTO-QGZVFWFLSA-N 2 2 317.864 4.156 20 0 DIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)[C@H]1c1cccs1 ZINC000608060047 1038762083 /nfs/dbraw/zinc/76/20/83/1038762083.db2.gz YMDOJSGFOHJLCB-LRDDRELGSA-N 2 2 324.877 4.167 20 0 DIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)[C@H]1c1cccs1 ZINC000608060047 1038762087 /nfs/dbraw/zinc/76/20/87/1038762087.db2.gz YMDOJSGFOHJLCB-LRDDRELGSA-N 2 2 324.877 4.167 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC000608067820 1038764513 /nfs/dbraw/zinc/76/45/13/1038764513.db2.gz UMHFXLOMDAEDJX-QGZVFWFLSA-N 2 2 311.473 4.156 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000608070434 1038764639 /nfs/dbraw/zinc/76/46/39/1038764639.db2.gz HDBGAEIUDGWCBR-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916129 1038833983 /nfs/dbraw/zinc/83/39/83/1038833983.db2.gz TYOBUYRYXKJMRR-IFIJOSMWSA-N 2 2 310.844 4.004 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916129 1038834013 /nfs/dbraw/zinc/83/40/13/1038834013.db2.gz TYOBUYRYXKJMRR-IFIJOSMWSA-N 2 2 310.844 4.004 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000657614943 1038912865 /nfs/dbraw/zinc/91/28/65/1038912865.db2.gz LCKGIUFKTQOZCH-HXUWFJFHSA-N 2 2 323.415 4.498 20 0 DIADLP C[C@H](CCSc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000122594973 1039108415 /nfs/dbraw/zinc/10/84/15/1039108415.db2.gz HQVHOYIYIALPAK-MRXNPFEDSA-N 2 2 315.486 4.091 20 0 DIADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000535471082 1039220236 /nfs/dbraw/zinc/22/02/36/1039220236.db2.gz ZPFOCMRNXQTFAA-LJQANCHMSA-N 2 2 306.453 4.154 20 0 DIADLP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000535471082 1039220253 /nfs/dbraw/zinc/22/02/53/1039220253.db2.gz ZPFOCMRNXQTFAA-LJQANCHMSA-N 2 2 306.453 4.154 20 0 DIADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535577588 1039248165 /nfs/dbraw/zinc/24/81/65/1039248165.db2.gz ZXGGZXHUQRFAFE-CQSZACIVSA-N 2 2 315.848 4.373 20 0 DIADLP Clc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000539491409 1039270804 /nfs/dbraw/zinc/27/08/04/1039270804.db2.gz PDXDPUOAVVSRNH-SFHVURJKSA-N 2 2 317.864 4.448 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000539818133 1039348357 /nfs/dbraw/zinc/34/83/57/1039348357.db2.gz RAKSMCHQYZVOPT-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000539818133 1039348373 /nfs/dbraw/zinc/34/83/73/1039348373.db2.gz RAKSMCHQYZVOPT-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818133 1039348380 /nfs/dbraw/zinc/34/83/80/1039348380.db2.gz RAKSMCHQYZVOPT-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818133 1039348399 /nfs/dbraw/zinc/34/83/99/1039348399.db2.gz RAKSMCHQYZVOPT-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000539856686 1039373468 /nfs/dbraw/zinc/37/34/68/1039373468.db2.gz UXOUGUHEWIURGN-DBVUQKKJSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1ccc([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000540301301 1039470214 /nfs/dbraw/zinc/47/02/14/1039470214.db2.gz VELMVUHZIMQOMK-NRFANRHFSA-N 2 2 317.436 4.422 20 0 DIADLP Fc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000540303536 1039472467 /nfs/dbraw/zinc/47/24/67/1039472467.db2.gz YFARBVDNJKPDNI-LJQANCHMSA-N 2 2 313.420 4.154 20 0 DIADLP Fc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000540303535 1039472534 /nfs/dbraw/zinc/47/25/34/1039472534.db2.gz YFARBVDNJKPDNI-IBGZPJMESA-N 2 2 313.420 4.154 20 0 DIADLP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657799311 1039480065 /nfs/dbraw/zinc/48/00/65/1039480065.db2.gz UJAKGPWLRPBREP-LJQANCHMSA-N 2 2 323.465 4.409 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)c1ccccc1 ZINC000657815738 1039542538 /nfs/dbraw/zinc/54/25/38/1039542538.db2.gz IKEXXQLOWHNFAE-GDBMZVCRSA-N 2 2 312.448 4.339 20 0 DIADLP CC1=C[C@@H](C)C[C@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532460 1039554795 /nfs/dbraw/zinc/55/47/95/1039554795.db2.gz FPGUWXWTVVENID-AEFFLSMTSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=C[C@@H](C)C[C@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532460 1039554815 /nfs/dbraw/zinc/55/48/15/1039554815.db2.gz FPGUWXWTVVENID-AEFFLSMTSA-N 2 2 316.489 4.168 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000151658569 1039624078 /nfs/dbraw/zinc/62/40/78/1039624078.db2.gz UKFKZBILURTGQF-LSDHHAIUSA-N 2 2 309.388 4.423 20 0 DIADLP Cc1ccc(C)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541201227 1039631499 /nfs/dbraw/zinc/63/14/99/1039631499.db2.gz CSSZAURSLBPMFE-UHFFFAOYSA-N 2 2 311.473 4.192 20 0 DIADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151662245 1039852757 /nfs/dbraw/zinc/85/27/57/1039852757.db2.gz RHXXJGGAYAENDR-GJZGRUSLSA-N 2 2 311.454 4.216 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c[nH+]1 ZINC000685459663 1040069027 /nfs/dbraw/zinc/06/90/27/1040069027.db2.gz ZGQSKRJQANPOCV-UHFFFAOYSA-N 2 2 322.456 4.057 20 0 DIADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(C(F)(F)F)c1 ZINC001143458934 1040127618 /nfs/dbraw/zinc/12/76/18/1040127618.db2.gz RTJPRGSXPGWLRK-UHFFFAOYSA-N 2 2 323.362 4.047 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)[C@@H](C)C2 ZINC000493223750 1040139917 /nfs/dbraw/zinc/13/99/17/1040139917.db2.gz CMMIGESYKDFIBL-HRAATJIYSA-N 2 2 317.436 4.204 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000685612791 1040160040 /nfs/dbraw/zinc/16/00/40/1040160040.db2.gz BGVHYUQAIOADPB-OXJNMPFZSA-N 2 2 309.457 4.013 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000685662318 1040203423 /nfs/dbraw/zinc/20/34/23/1040203423.db2.gz OPINKOJQDKLTPT-RISCZKNCSA-N 2 2 324.255 4.315 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000685662165 1040205018 /nfs/dbraw/zinc/20/50/18/1040205018.db2.gz QZZBQQDDMXKTHY-YLJYHZDGSA-N 2 2 309.457 4.097 20 0 DIADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000657979231 1040242787 /nfs/dbraw/zinc/24/27/87/1040242787.db2.gz HMFFZOJSVMUNDE-TZIWHRDSSA-N 2 2 323.484 4.064 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414065385 1040809723 /nfs/dbraw/zinc/80/97/23/1040809723.db2.gz OKRVBKDBCAWOBF-UWWQBHOKSA-N 2 2 317.864 4.241 20 0 DIADLP CCCCCC[C@@H](CC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001170578795 1041158792 /nfs/dbraw/zinc/15/87/92/1041158792.db2.gz KKNZGQRCRRFGSX-HXUWFJFHSA-N 2 2 302.506 4.457 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(F)(F)F ZINC000414371582 1041186524 /nfs/dbraw/zinc/18/65/24/1041186524.db2.gz NAIWLGXPOWEGOT-AWEZNQCLSA-N 2 2 323.362 4.117 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(F)(F)F ZINC000414371582 1041186531 /nfs/dbraw/zinc/18/65/31/1041186531.db2.gz NAIWLGXPOWEGOT-AWEZNQCLSA-N 2 2 323.362 4.117 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000423231371 1041210531 /nfs/dbraw/zinc/21/05/31/1041210531.db2.gz AUCPWIJVUBRXMB-FKFRUQKQSA-N 2 2 314.395 4.033 20 0 DIADLP C[C@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301900373 1041255629 /nfs/dbraw/zinc/25/56/29/1041255629.db2.gz YZTWYLBVJXQJNG-RDJZCZTQSA-N 2 2 320.440 4.028 20 0 DIADLP C[C@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301900373 1041255647 /nfs/dbraw/zinc/25/56/47/1041255647.db2.gz YZTWYLBVJXQJNG-RDJZCZTQSA-N 2 2 320.440 4.028 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccc2ccccc21 ZINC000810211925 1041348909 /nfs/dbraw/zinc/34/89/09/1041348909.db2.gz XWPHKPIRCIWDNK-YJBOKZPZSA-N 2 2 322.456 4.197 20 0 DIADLP Fc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1C(F)F ZINC000892872132 1041414032 /nfs/dbraw/zinc/41/40/32/1041414032.db2.gz QNEMSUOAUMKNER-UHFFFAOYSA-N 2 2 323.362 4.140 20 0 DIADLP Clc1cccc(SCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000659998720 1041576376 /nfs/dbraw/zinc/57/63/76/1041576376.db2.gz KRXQIZZPMUGUGD-UHFFFAOYSA-N 2 2 321.877 4.035 20 0 DIADLP c1ccc(NC2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)[nH+]c1 ZINC000660146966 1041631512 /nfs/dbraw/zinc/63/15/12/1041631512.db2.gz ASQSAEJZOTUROZ-GOSISDBHSA-N 2 2 321.468 4.078 20 0 DIADLP CC[C@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812836198 1041654948 /nfs/dbraw/zinc/65/49/48/1041654948.db2.gz SFSVBDGXXMEYMO-DLBZAZTESA-N 2 2 317.521 4.136 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000319216455 1041719228 /nfs/dbraw/zinc/71/92/28/1041719228.db2.gz MMGZPYLNAIHOTL-IAGOWNOFSA-N 2 2 303.425 4.178 20 0 DIADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680425 1041850934 /nfs/dbraw/zinc/85/09/34/1041850934.db2.gz YIVTXIFWOUJVAD-MRXNPFEDSA-N 2 2 312.432 4.141 20 0 DIADLP C[C@@H](c1ccccc1F)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677828 1041852492 /nfs/dbraw/zinc/85/24/92/1041852492.db2.gz JUYXGYKKQITIKA-INIZCTEOSA-N 2 2 312.432 4.141 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651670606 1041873688 /nfs/dbraw/zinc/87/36/88/1041873688.db2.gz OOGANUVDHZKEGC-MRXNPFEDSA-N 2 2 321.468 4.026 20 0 DIADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000651688461 1041882952 /nfs/dbraw/zinc/88/29/52/1041882952.db2.gz LGDDKVQWZYHBNV-INIZCTEOSA-N 2 2 322.855 4.073 20 0 DIADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000651741628 1041900423 /nfs/dbraw/zinc/90/04/23/1041900423.db2.gz QJKTUGFJUHGUSQ-LSTHTHJFSA-N 2 2 315.505 4.165 20 0 DIADLP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000651741629 1041900751 /nfs/dbraw/zinc/90/07/51/1041900751.db2.gz QJKTUGFJUHGUSQ-NSISKUIASA-N 2 2 315.505 4.165 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000815563258 1041963934 /nfs/dbraw/zinc/96/39/34/1041963934.db2.gz XNRKKPLWZCPZIC-WMLDXEAASA-N 2 2 303.425 4.096 20 0 DIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000817893720 1042128114 /nfs/dbraw/zinc/12/81/14/1042128114.db2.gz GWWLTCUOACMBRP-RBSFLKMASA-N 2 2 317.502 4.258 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)sc1Cl ZINC000643547101 1042229908 /nfs/dbraw/zinc/22/99/08/1042229908.db2.gz ZTTCNCYNXUPVHX-UWVGGRQHSA-N 2 2 319.301 4.380 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)sc1Cl ZINC000643547103 1042229340 /nfs/dbraw/zinc/22/93/40/1042229340.db2.gz ZTTCNCYNXUPVHX-ZJUUUORDSA-N 2 2 319.301 4.380 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2o1 ZINC000319756421 1042246579 /nfs/dbraw/zinc/24/65/79/1042246579.db2.gz JSZMAWGDRXWPGY-KSSFIOAISA-N 2 2 311.429 4.395 20 0 DIADLP FC(F)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000279731093 1042336226 /nfs/dbraw/zinc/33/62/26/1042336226.db2.gz NPXQRJVUKJBWRI-QGZVFWFLSA-N 2 2 308.416 4.075 20 0 DIADLP FC(F)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000279731093 1042336231 /nfs/dbraw/zinc/33/62/31/1042336231.db2.gz NPXQRJVUKJBWRI-QGZVFWFLSA-N 2 2 308.416 4.075 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000271738892 1042667034 /nfs/dbraw/zinc/66/70/34/1042667034.db2.gz DQSHLYDTCXUZJH-NRFANRHFSA-N 2 2 317.436 4.172 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000271865918 1042671285 /nfs/dbraw/zinc/67/12/85/1042671285.db2.gz LKIYDRINXQXJPP-VXGBXAGGSA-N 2 2 303.793 4.022 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422785031 1042689809 /nfs/dbraw/zinc/68/98/09/1042689809.db2.gz QMQLOFAFUAXWTB-JXXFODFXSA-N 2 2 324.468 4.153 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422872891 1042692591 /nfs/dbraw/zinc/69/25/91/1042692591.db2.gz IYXONWNCFRZILZ-QYZOEREBSA-N 2 2 316.395 4.396 20 0 DIADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cc(F)ccc1F ZINC000422919980 1042693236 /nfs/dbraw/zinc/69/32/36/1042693236.db2.gz LIAOQQRJEYIGFF-OKZBNKHCSA-N 2 2 302.368 4.150 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCS2 ZINC000423239335 1042700293 /nfs/dbraw/zinc/70/02/93/1042700293.db2.gz JVCWYWSVYQHVNL-ZWKOTPCHSA-N 2 2 312.482 4.130 20 0 DIADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423250109 1042703098 /nfs/dbraw/zinc/70/30/98/1042703098.db2.gz UQBGZECZUYOZFB-RHSMWYFYSA-N 2 2 300.471 4.149 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423247159 1042703382 /nfs/dbraw/zinc/70/33/82/1042703382.db2.gz QDUKLAJLNIQOIS-FAAHXZRKSA-N 2 2 320.889 4.183 20 0 DIADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423291413 1042704278 /nfs/dbraw/zinc/70/42/78/1042704278.db2.gz IFPYHUMOGHPXAS-OAHLLOKOSA-N 2 2 313.445 4.042 20 0 DIADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423393081 1042710712 /nfs/dbraw/zinc/71/07/12/1042710712.db2.gz YFIBUHMKDABHDD-KGLIPLIRSA-N 2 2 317.502 4.076 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Cl)c1 ZINC000424307334 1042735480 /nfs/dbraw/zinc/73/54/80/1042735480.db2.gz XJZHEDSCTNSVLV-ZDUSSCGKSA-N 2 2 324.896 4.262 20 0 DIADLP CC(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000517542065 1042884547 /nfs/dbraw/zinc/88/45/47/1042884547.db2.gz MNQNNUAWWQDJKF-NRFANRHFSA-N 2 2 319.452 4.402 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2cccs2)cc1 ZINC000519484405 1042950759 /nfs/dbraw/zinc/95/07/59/1042950759.db2.gz JHRFUHDIRYHMFV-CZUORRHYSA-N 2 2 323.465 4.346 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000187940437 1042984700 /nfs/dbraw/zinc/98/47/00/1042984700.db2.gz ZNMMKVBDXCAFKV-KRWDZBQOSA-N 2 2 301.409 4.154 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167992198 1043054515 /nfs/dbraw/zinc/05/45/15/1043054515.db2.gz HQMXBTABZSHAPG-JWTNVVGKSA-N 2 2 318.892 4.177 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167992198 1043054528 /nfs/dbraw/zinc/05/45/28/1043054528.db2.gz HQMXBTABZSHAPG-JWTNVVGKSA-N 2 2 318.892 4.177 20 0 DIADLP C[NH+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167992198 1043054542 /nfs/dbraw/zinc/05/45/42/1043054542.db2.gz HQMXBTABZSHAPG-JWTNVVGKSA-N 2 2 318.892 4.177 20 0 DIADLP C[NH+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167992198 1043054551 /nfs/dbraw/zinc/05/45/51/1043054551.db2.gz HQMXBTABZSHAPG-JWTNVVGKSA-N 2 2 318.892 4.177 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000339073088 1043081542 /nfs/dbraw/zinc/08/15/42/1043081542.db2.gz AAWHZRVZSBLRNN-FQEVSTJZSA-N 2 2 317.436 4.348 20 0 DIADLP CSCc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001202519798 1043135301 /nfs/dbraw/zinc/13/53/01/1043135301.db2.gz KLPFQHSKYDMRAH-IBGZPJMESA-N 2 2 320.546 4.150 20 0 DIADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccnc1 ZINC000185134101 1043194956 /nfs/dbraw/zinc/19/49/56/1043194956.db2.gz CJSNNXWLYOFCCJ-SFHVURJKSA-N 2 2 324.403 4.037 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000427600162 1043229856 /nfs/dbraw/zinc/22/98/56/1043229856.db2.gz RWLZIDNBZPJBBD-KZNAEPCWSA-N 2 2 316.514 4.057 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000427600162 1043229867 /nfs/dbraw/zinc/22/98/67/1043229867.db2.gz RWLZIDNBZPJBBD-KZNAEPCWSA-N 2 2 316.514 4.057 20 0 DIADLP Clc1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168004775 1043235930 /nfs/dbraw/zinc/23/59/30/1043235930.db2.gz YVPYWTHDMTUFQN-DFNIBXOVSA-N 2 2 316.876 4.061 20 0 DIADLP Clc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168004775 1043235937 /nfs/dbraw/zinc/23/59/37/1043235937.db2.gz YVPYWTHDMTUFQN-DFNIBXOVSA-N 2 2 316.876 4.061 20 0 DIADLP Clc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168004775 1043235940 /nfs/dbraw/zinc/23/59/40/1043235940.db2.gz YVPYWTHDMTUFQN-DFNIBXOVSA-N 2 2 316.876 4.061 20 0 DIADLP Clc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168004775 1043235947 /nfs/dbraw/zinc/23/59/47/1043235947.db2.gz YVPYWTHDMTUFQN-DFNIBXOVSA-N 2 2 316.876 4.061 20 0 DIADLP Cc1cncc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000427840879 1043307847 /nfs/dbraw/zinc/30/78/47/1043307847.db2.gz HMMOZVQFASSGMV-GHTZIAJQSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1cncc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000427840879 1043307858 /nfs/dbraw/zinc/30/78/58/1043307858.db2.gz HMMOZVQFASSGMV-GHTZIAJQSA-N 2 2 323.484 4.095 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268802855 1043333164 /nfs/dbraw/zinc/33/31/64/1043333164.db2.gz IDJHQZNXAXULAJ-CABCVRRESA-N 2 2 303.475 4.123 20 0 DIADLP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012141 1043337340 /nfs/dbraw/zinc/33/73/40/1043337340.db2.gz WVBVYRMJTXFICE-BZSNNMDCSA-N 2 2 323.484 4.174 20 0 DIADLP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001168012143 1043337488 /nfs/dbraw/zinc/33/74/88/1043337488.db2.gz WVBVYRMJTXFICE-KURKYZTESA-N 2 2 323.484 4.174 20 0 DIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269047071 1043353294 /nfs/dbraw/zinc/35/32/94/1043353294.db2.gz VBKJYSPVAGZWLD-CYBMUJFWSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(F)ccc1OC ZINC000925828585 1043479886 /nfs/dbraw/zinc/47/98/86/1043479886.db2.gz XYOQEMPYQHYLNR-SQNIBIBYSA-N 2 2 314.404 4.020 20 0 DIADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1F ZINC000349341714 1043505986 /nfs/dbraw/zinc/50/59/86/1043505986.db2.gz CNCSTFGKNKOYBI-UHFFFAOYSA-N 2 2 315.436 4.023 20 0 DIADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000349797184 1043523953 /nfs/dbraw/zinc/52/39/53/1043523953.db2.gz BHNFDEDAVDCCCN-LJQANCHMSA-N 2 2 323.484 4.046 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3c(C)ccc(C)c31)CCC2 ZINC000349814869 1043525737 /nfs/dbraw/zinc/52/57/37/1043525737.db2.gz WKDLPGZJMPJLBB-MJGOQNOKSA-N 2 2 323.484 4.353 20 0 DIADLP C[C@H](C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985504 1043540708 /nfs/dbraw/zinc/54/07/08/1043540708.db2.gz FEKSEKVZVUVZBM-APWZRJJASA-N 2 2 302.506 4.169 20 0 DIADLP C[C@H](C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985504 1043540718 /nfs/dbraw/zinc/54/07/18/1043540718.db2.gz FEKSEKVZVUVZBM-APWZRJJASA-N 2 2 302.506 4.169 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000718014591 1043546725 /nfs/dbraw/zinc/54/67/25/1043546725.db2.gz CKSDKXBEZURTEM-SEONNTABSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000718014591 1043546738 /nfs/dbraw/zinc/54/67/38/1043546738.db2.gz CKSDKXBEZURTEM-SEONNTABSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718013891 1043546847 /nfs/dbraw/zinc/54/68/47/1043546847.db2.gz DNMNDADXDWQWCU-JRGCBEDISA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718013891 1043546863 /nfs/dbraw/zinc/54/68/63/1043546863.db2.gz DNMNDADXDWQWCU-JRGCBEDISA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001168017075 1043554486 /nfs/dbraw/zinc/55/44/86/1043554486.db2.gz WVBVYRMJTXFICE-KZNAEPCWSA-N 2 2 323.484 4.174 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(C)c1 ZINC000353523432 1043613266 /nfs/dbraw/zinc/61/32/66/1043613266.db2.gz UGVMOHZLQJTYEN-HXUWFJFHSA-N 2 2 305.425 4.422 20 0 DIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573324 1043618214 /nfs/dbraw/zinc/61/82/14/1043618214.db2.gz LAANULRKHVORKO-VQIMIIECSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573324 1043618224 /nfs/dbraw/zinc/61/82/24/1043618224.db2.gz LAANULRKHVORKO-VQIMIIECSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573324 1043618228 /nfs/dbraw/zinc/61/82/28/1043618228.db2.gz LAANULRKHVORKO-VQIMIIECSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573324 1043618239 /nfs/dbraw/zinc/61/82/39/1043618239.db2.gz LAANULRKHVORKO-VQIMIIECSA-N 2 2 312.457 4.073 20 0 DIADLP Fc1ccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000353609354 1043623061 /nfs/dbraw/zinc/62/30/61/1043623061.db2.gz MLLCTDKDNDWPIU-GOSISDBHSA-N 2 2 321.399 4.001 20 0 DIADLP Fc1ccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000353609354 1043623069 /nfs/dbraw/zinc/62/30/69/1043623069.db2.gz MLLCTDKDNDWPIU-GOSISDBHSA-N 2 2 321.399 4.001 20 0 DIADLP Clc1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353633044 1043627807 /nfs/dbraw/zinc/62/78/07/1043627807.db2.gz VPDXCDCJERZHCL-WBVHZDCISA-N 2 2 315.848 4.051 20 0 DIADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167629 1043685961 /nfs/dbraw/zinc/68/59/61/1043685961.db2.gz SKZQLUQELMABEZ-SFHVURJKSA-N 2 2 318.848 4.004 20 0 DIADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167629 1043685973 /nfs/dbraw/zinc/68/59/73/1043685973.db2.gz SKZQLUQELMABEZ-SFHVURJKSA-N 2 2 318.848 4.004 20 0 DIADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167629 1043685978 /nfs/dbraw/zinc/68/59/78/1043685978.db2.gz SKZQLUQELMABEZ-SFHVURJKSA-N 2 2 318.848 4.004 20 0 DIADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167629 1043685984 /nfs/dbraw/zinc/68/59/84/1043685984.db2.gz SKZQLUQELMABEZ-SFHVURJKSA-N 2 2 318.848 4.004 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354989458 1043734150 /nfs/dbraw/zinc/73/41/50/1043734150.db2.gz ZJOKMQQMNBYPHU-TZMCWYRMSA-N 2 2 311.351 4.254 20 0 DIADLP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC001308365009 1043804999 /nfs/dbraw/zinc/80/49/99/1043804999.db2.gz BAVDHMSIXUOGQJ-ZDUSSCGKSA-N 2 2 315.288 4.348 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474717589 1043900291 /nfs/dbraw/zinc/90/02/91/1043900291.db2.gz YGYDZRDVSYWEKR-LSDHHAIUSA-N 2 2 319.518 4.110 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474717589 1043900296 /nfs/dbraw/zinc/90/02/96/1043900296.db2.gz YGYDZRDVSYWEKR-LSDHHAIUSA-N 2 2 319.518 4.110 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H](C)C1CCCCC1)CCC2 ZINC000474806048 1043924400 /nfs/dbraw/zinc/92/44/00/1043924400.db2.gz CXAIERALLYODOG-JZXOWHBKSA-N 2 2 303.494 4.263 20 0 DIADLP CCCC1CCC(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000357357447 1043944504 /nfs/dbraw/zinc/94/45/04/1043944504.db2.gz RDVKVMCMRGYDRP-DAWZGUTISA-N 2 2 303.494 4.265 20 0 DIADLP CCCC1CCC(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000357357446 1043945854 /nfs/dbraw/zinc/94/58/54/1043945854.db2.gz RDVKVMCMRGYDRP-ABHNRTSZSA-N 2 2 303.494 4.265 20 0 DIADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)s1 ZINC000880572185 1044048191 /nfs/dbraw/zinc/04/81/91/1044048191.db2.gz YDAPKINXGSCQTG-SFHVURJKSA-N 2 2 311.454 4.093 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571171 1044048357 /nfs/dbraw/zinc/04/83/57/1044048357.db2.gz OHDRBROOMANHFF-HXUWFJFHSA-N 2 2 305.425 4.031 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571169 1044048548 /nfs/dbraw/zinc/04/85/48/1044048548.db2.gz OHDRBROOMANHFF-FQEVSTJZSA-N 2 2 305.425 4.031 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1C ZINC000880570828 1044048981 /nfs/dbraw/zinc/04/89/81/1044048981.db2.gz YYGHYHZLHWLEDU-FQEVSTJZSA-N 2 2 305.425 4.031 20 0 DIADLP C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358361005 1044058779 /nfs/dbraw/zinc/05/87/79/1044058779.db2.gz WDWPRYXZWXVNEP-CYBMUJFWSA-N 2 2 305.372 4.101 20 0 DIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000562284099 1044095761 /nfs/dbraw/zinc/09/57/61/1044095761.db2.gz NASMTVSOXLRFAY-AWEZNQCLSA-N 2 2 320.443 4.209 20 0 DIADLP Cc1ccsc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359312705 1044154945 /nfs/dbraw/zinc/15/49/45/1044154945.db2.gz OOBAGEZPLVNTGM-OAHLLOKOSA-N 2 2 311.454 4.136 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC000359377228 1044160014 /nfs/dbraw/zinc/16/00/14/1044160014.db2.gz YCRROYSUBSLKNU-HXUWFJFHSA-N 2 2 303.409 4.113 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883387298 1044300125 /nfs/dbraw/zinc/30/01/25/1044300125.db2.gz VHZWYTBMCZYVDA-CRAIPNDOSA-N 2 2 309.413 4.131 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386382 1044300761 /nfs/dbraw/zinc/30/07/61/1044300761.db2.gz FFBVOVLHDIFQET-DOTOQJQBSA-N 2 2 311.454 4.345 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387268 1044300849 /nfs/dbraw/zinc/30/08/49/1044300849.db2.gz UWCYSGQLKZXPSQ-PXNSSMCTSA-N 2 2 305.425 4.284 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000883387619 1044302596 /nfs/dbraw/zinc/30/25/96/1044302596.db2.gz ALUUTXPBXMOMAF-HBGVWJBISA-N 2 2 317.436 4.463 20 0 DIADLP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689241 1044302662 /nfs/dbraw/zinc/30/26/62/1044302662.db2.gz KSMKBACOYMHBBH-CJNGLKHVSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689241 1044302671 /nfs/dbraw/zinc/30/26/71/1044302671.db2.gz KSMKBACOYMHBBH-CJNGLKHVSA-N 2 2 323.362 4.035 20 0 DIADLP CCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883398185 1044306672 /nfs/dbraw/zinc/30/66/72/1044306672.db2.gz FVJCVNIVYCDDHD-SFHVURJKSA-N 2 2 311.454 4.038 20 0 DIADLP CC1(C)Cc2occc2[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000361031709 1044349919 /nfs/dbraw/zinc/34/99/19/1044349919.db2.gz FNQQCGIDEPWMNF-INIZCTEOSA-N 2 2 313.445 4.170 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C2CC2)c1 ZINC000293947380 1044357409 /nfs/dbraw/zinc/35/74/09/1044357409.db2.gz ZBNGBRMRAHQZAI-INIZCTEOSA-N 2 2 321.468 4.279 20 0 DIADLP FC(F)(F)CCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361084979 1044358897 /nfs/dbraw/zinc/35/88/97/1044358897.db2.gz CWPXLWBUEIUIKB-UHFFFAOYSA-N 2 2 317.399 4.108 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CCc3occc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062674 1044383572 /nfs/dbraw/zinc/38/35/72/1044383572.db2.gz LHQDOJYOKOMCRC-XEMDLRDOSA-N 2 2 324.468 4.079 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CCc3occc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062674 1044383585 /nfs/dbraw/zinc/38/35/85/1044383585.db2.gz LHQDOJYOKOMCRC-XEMDLRDOSA-N 2 2 324.468 4.079 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3occc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062674 1044383602 /nfs/dbraw/zinc/38/36/02/1044383602.db2.gz LHQDOJYOKOMCRC-XEMDLRDOSA-N 2 2 324.468 4.079 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+]2CCc3occc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062674 1044383620 /nfs/dbraw/zinc/38/36/20/1044383620.db2.gz LHQDOJYOKOMCRC-XEMDLRDOSA-N 2 2 324.468 4.079 20 0 DIADLP c1cn(C2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c[nH+]1 ZINC000109794825 1044411993 /nfs/dbraw/zinc/41/19/93/1044411993.db2.gz BRKQUHBZDRJHOU-UHFFFAOYSA-N 2 2 315.420 4.290 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccccc1Cl)CCC2 ZINC000361650478 1044430189 /nfs/dbraw/zinc/43/01/89/1044430189.db2.gz BBMAXDURBBXTMT-KGLIPLIRSA-N 2 2 303.837 4.073 20 0 DIADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000361665812 1044430314 /nfs/dbraw/zinc/43/03/14/1044430314.db2.gz ZOXWKKNJCOLYMF-PKOBYXMFSA-N 2 2 311.473 4.446 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CCC2 ZINC000361664802 1044430337 /nfs/dbraw/zinc/43/03/37/1044430337.db2.gz QCNBCIYZIHOKPD-JSGCOSHPSA-N 2 2 321.827 4.212 20 0 DIADLP CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000361928963 1044461215 /nfs/dbraw/zinc/46/12/15/1044461215.db2.gz XWYDYIOPZBHJCA-SFHVURJKSA-N 2 2 313.445 4.023 20 0 DIADLP Clc1cccc([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000444789025 1044629420 /nfs/dbraw/zinc/62/94/20/1044629420.db2.gz BRYZCXBSXKFSGQ-QGZVFWFLSA-N 2 2 303.837 4.154 20 0 DIADLP Clc1cccc([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000444789025 1044629427 /nfs/dbraw/zinc/62/94/27/1044629427.db2.gz BRYZCXBSXKFSGQ-QGZVFWFLSA-N 2 2 303.837 4.154 20 0 DIADLP c1ccc(NC2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)[nH+]c1 ZINC000569645566 1044702596 /nfs/dbraw/zinc/70/25/96/1044702596.db2.gz KRCUROFPXMKLNI-UHFFFAOYSA-N 2 2 321.468 4.426 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CCC2 ZINC000366213862 1044714412 /nfs/dbraw/zinc/71/44/12/1044714412.db2.gz ZKMSRWZIOLDQAK-UFYCRDLUSA-N 2 2 323.484 4.070 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CCC2 ZINC000368721074 1044787812 /nfs/dbraw/zinc/78/78/12/1044787812.db2.gz DFPSQVGWDWOYAO-SLFFLAALSA-N 2 2 323.484 4.070 20 0 DIADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC001204015224 1044799821 /nfs/dbraw/zinc/79/98/21/1044799821.db2.gz KZRJXNANVPLHTC-UHFFFAOYSA-N 2 2 314.498 4.235 20 0 DIADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC001204015224 1044799833 /nfs/dbraw/zinc/79/98/33/1044799833.db2.gz KZRJXNANVPLHTC-UHFFFAOYSA-N 2 2 314.498 4.235 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCc3c4ccccc4sc31)C2 ZINC000571191463 1044802174 /nfs/dbraw/zinc/80/21/74/1044802174.db2.gz LSJDPVRRIRCVOS-LRDDRELGSA-N 2 2 323.465 4.149 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)cc1 ZINC000572686563 1044868495 /nfs/dbraw/zinc/86/84/95/1044868495.db2.gz RDFRGHDEZSBAAH-HNAYVOBHSA-N 2 2 317.436 4.285 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)oc1C ZINC000337413921 1044893777 /nfs/dbraw/zinc/89/37/77/1044893777.db2.gz XXDQQJVFUJYBPZ-INIZCTEOSA-N 2 2 323.440 4.035 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424730 1044898240 /nfs/dbraw/zinc/89/82/40/1044898240.db2.gz CISYCUPXLXZBLP-WMZOPIPTSA-N 2 2 309.457 4.160 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424730 1044898260 /nfs/dbraw/zinc/89/82/60/1044898260.db2.gz CISYCUPXLXZBLP-WMZOPIPTSA-N 2 2 309.457 4.160 20 0 DIADLP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524859 1044917444 /nfs/dbraw/zinc/91/74/44/1044917444.db2.gz GDDRPFMWCBWSOU-CUWPLCDZSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524859 1044917460 /nfs/dbraw/zinc/91/74/60/1044917460.db2.gz GDDRPFMWCBWSOU-CUWPLCDZSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524859 1044917478 /nfs/dbraw/zinc/91/74/78/1044917478.db2.gz GDDRPFMWCBWSOU-CUWPLCDZSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524859 1044917495 /nfs/dbraw/zinc/91/74/95/1044917495.db2.gz GDDRPFMWCBWSOU-CUWPLCDZSA-N 2 2 323.484 4.076 20 0 DIADLP C[C@H]1CCC[C@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845299 1044927823 /nfs/dbraw/zinc/92/78/23/1044927823.db2.gz LZVMIHULPABXRN-IRXDYDNUSA-N 2 2 304.478 4.002 20 0 DIADLP C[C@H]1CCC[C@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845299 1044927835 /nfs/dbraw/zinc/92/78/35/1044927835.db2.gz LZVMIHULPABXRN-IRXDYDNUSA-N 2 2 304.478 4.002 20 0 DIADLP Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000337636954 1044932568 /nfs/dbraw/zinc/93/25/68/1044932568.db2.gz UDKOHFJTLJIXJA-HXUWFJFHSA-N 2 2 321.399 4.349 20 0 DIADLP Fc1cccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000337636954 1044932583 /nfs/dbraw/zinc/93/25/83/1044932583.db2.gz UDKOHFJTLJIXJA-HXUWFJFHSA-N 2 2 321.399 4.349 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151681087 1045029720 /nfs/dbraw/zinc/02/97/20/1045029720.db2.gz KYNVPHZFRXLQNM-HOTGVXAUSA-N 2 2 321.424 4.293 20 0 DIADLP COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151710600 1045031105 /nfs/dbraw/zinc/03/11/05/1045031105.db2.gz MLVKRDSIPNCGBB-HZPDHXFCSA-N 2 2 321.424 4.293 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000446849914 1045053218 /nfs/dbraw/zinc/05/32/18/1045053218.db2.gz SFHRXBCBWCUBMJ-MRXNPFEDSA-N 2 2 314.395 4.062 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471709 1045059608 /nfs/dbraw/zinc/05/96/08/1045059608.db2.gz VKUOQCJXOXPKGO-PKOBYXMFSA-N 2 2 318.505 4.026 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471709 1045059620 /nfs/dbraw/zinc/05/96/20/1045059620.db2.gz VKUOQCJXOXPKGO-PKOBYXMFSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471709 1045059631 /nfs/dbraw/zinc/05/96/31/1045059631.db2.gz VKUOQCJXOXPKGO-PKOBYXMFSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471709 1045059644 /nfs/dbraw/zinc/05/96/44/1045059644.db2.gz VKUOQCJXOXPKGO-PKOBYXMFSA-N 2 2 318.505 4.026 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc32)C[C@H]1c1ccccc1 ZINC000576721285 1045075285 /nfs/dbraw/zinc/07/52/85/1045075285.db2.gz CTRCPTMHEZSRRB-UHOSZYNNSA-N 2 2 324.493 4.259 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc32)C[C@H]1c1ccccc1 ZINC000576721285 1045075298 /nfs/dbraw/zinc/07/52/98/1045075298.db2.gz CTRCPTMHEZSRRB-UHOSZYNNSA-N 2 2 324.493 4.259 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772424 1045077509 /nfs/dbraw/zinc/07/75/09/1045077509.db2.gz URBNDBDPMYQKBW-PMACEKPBSA-N 2 2 306.453 4.101 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772424 1045077519 /nfs/dbraw/zinc/07/75/19/1045077519.db2.gz URBNDBDPMYQKBW-PMACEKPBSA-N 2 2 306.453 4.101 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772426 1045078695 /nfs/dbraw/zinc/07/86/95/1045078695.db2.gz URBNDBDPMYQKBW-VQTJNVASSA-N 2 2 306.453 4.101 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772426 1045078706 /nfs/dbraw/zinc/07/87/06/1045078706.db2.gz URBNDBDPMYQKBW-VQTJNVASSA-N 2 2 306.453 4.101 20 0 DIADLP Clc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CCC2)cc1 ZINC000576939540 1045089858 /nfs/dbraw/zinc/08/98/58/1045089858.db2.gz NQDDSPFDDBLVTK-GOSISDBHSA-N 2 2 317.864 4.448 20 0 DIADLP C/C(=C\c1ccccc1)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447088872 1045092154 /nfs/dbraw/zinc/09/21/54/1045092154.db2.gz UQOXPHVONUZFRP-SAPNQHFASA-N 2 2 322.452 4.337 20 0 DIADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(C3CCC3)cc2)c[nH+]1 ZINC000578029865 1045200830 /nfs/dbraw/zinc/20/08/30/1045200830.db2.gz ULMILLKXLVRHFW-UHFFFAOYSA-N 2 2 317.436 4.430 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H](C)c1ccc(Cl)cc1 ZINC000527229169 1045209948 /nfs/dbraw/zinc/20/99/48/1045209948.db2.gz YECMWMYLBNZAMR-LSDHHAIUSA-N 2 2 305.853 4.099 20 0 DIADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355677 1045220424 /nfs/dbraw/zinc/22/04/24/1045220424.db2.gz HMBCOINAAMTLIB-DZGCQCFKSA-N 2 2 303.837 4.046 20 0 DIADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355677 1045220432 /nfs/dbraw/zinc/22/04/32/1045220432.db2.gz HMBCOINAAMTLIB-DZGCQCFKSA-N 2 2 303.837 4.046 20 0 DIADLP CCc1ccc([C@H](CC(C)C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000527893491 1045274507 /nfs/dbraw/zinc/27/45/07/1045274507.db2.gz RCJXIMYEUOEPGU-MOPGFXCFSA-N 2 2 311.473 4.137 20 0 DIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCC1 ZINC000449077402 1045345066 /nfs/dbraw/zinc/34/50/66/1045345066.db2.gz VUAYWRYTUSJVOT-IBGZPJMESA-N 2 2 311.473 4.032 20 0 DIADLP C[C@H](Cc1coc2ccccc12)[NH2+]CCCCNc1cccc[nH+]1 ZINC000449121436 1045348309 /nfs/dbraw/zinc/34/83/09/1045348309.db2.gz HTBLUVZEROWTMD-MRXNPFEDSA-N 2 2 323.440 4.241 20 0 DIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)sc1Cl ZINC000449325640 1045375372 /nfs/dbraw/zinc/37/53/72/1045375372.db2.gz OIMJXXAPSKILAY-UHFFFAOYSA-N 2 2 318.273 4.082 20 0 DIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)sc1Cl ZINC000449325640 1045375376 /nfs/dbraw/zinc/37/53/76/1045375376.db2.gz OIMJXXAPSKILAY-UHFFFAOYSA-N 2 2 318.273 4.082 20 0 DIADLP C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464197 1045399418 /nfs/dbraw/zinc/39/94/18/1045399418.db2.gz XZVLXSYWVWRSDS-UKRRQHHQSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464197 1045399420 /nfs/dbraw/zinc/39/94/20/1045399420.db2.gz XZVLXSYWVWRSDS-UKRRQHHQSA-N 2 2 323.362 4.035 20 0 DIADLP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000449745122 1045433698 /nfs/dbraw/zinc/43/36/98/1045433698.db2.gz AZFZYDIEYIJVGN-AWEZNQCLSA-N 2 2 320.443 4.209 20 0 DIADLP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000449745123 1045433739 /nfs/dbraw/zinc/43/37/39/1045433739.db2.gz AZFZYDIEYIJVGN-CQSZACIVSA-N 2 2 320.443 4.209 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528568 1045488288 /nfs/dbraw/zinc/48/82/88/1045488288.db2.gz KCQOHGOXNSRRFG-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528568 1045488291 /nfs/dbraw/zinc/48/82/91/1045488291.db2.gz KCQOHGOXNSRRFG-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528568 1045488292 /nfs/dbraw/zinc/48/82/92/1045488292.db2.gz KCQOHGOXNSRRFG-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528568 1045488296 /nfs/dbraw/zinc/48/82/96/1045488296.db2.gz KCQOHGOXNSRRFG-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000629742026 1045707570 /nfs/dbraw/zinc/70/75/70/1045707570.db2.gz MASFPSKAPXXEPC-NRFANRHFSA-N 2 2 317.436 4.331 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000451738074 1045724099 /nfs/dbraw/zinc/72/40/99/1045724099.db2.gz RNMNVBWKKLGIAD-KRWDZBQOSA-N 2 2 303.837 4.072 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000530863916 1045741447 /nfs/dbraw/zinc/74/14/47/1045741447.db2.gz RGJFFMUMLPKHDG-KXBFYZLASA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000530863916 1045741453 /nfs/dbraw/zinc/74/14/53/1045741453.db2.gz RGJFFMUMLPKHDG-KXBFYZLASA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000530863916 1045741460 /nfs/dbraw/zinc/74/14/60/1045741460.db2.gz RGJFFMUMLPKHDG-KXBFYZLASA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000530863916 1045741469 /nfs/dbraw/zinc/74/14/69/1045741469.db2.gz RGJFFMUMLPKHDG-KXBFYZLASA-N 2 2 322.443 4.080 20 0 DIADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531683584 1045897031 /nfs/dbraw/zinc/89/70/31/1045897031.db2.gz UVGRPCRWBZOLTA-UXHICEINSA-N 2 2 311.473 4.236 20 0 DIADLP CCC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000453068520 1045914804 /nfs/dbraw/zinc/91/48/04/1045914804.db2.gz AZFVIXPLQNQFCC-SFHVURJKSA-N 2 2 313.489 4.278 20 0 DIADLP C[C@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2sccc21 ZINC000453084170 1045929051 /nfs/dbraw/zinc/92/90/51/1045929051.db2.gz NTDPTSLFYVWBBV-XJKSGUPXSA-N 2 2 315.486 4.052 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000453093237 1045932032 /nfs/dbraw/zinc/93/20/32/1045932032.db2.gz TUEVDZQTQVFBPH-SFHVURJKSA-N 2 2 311.454 4.234 20 0 DIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](C2CC2)C2CCCC2)[nH+]1 ZINC000453091617 1045932407 /nfs/dbraw/zinc/93/24/07/1045932407.db2.gz RRIQGTLAMMODDL-OAQYLSRUSA-N 2 2 323.484 4.032 20 0 DIADLP CC(C)[N@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001137715633 1045943602 /nfs/dbraw/zinc/94/36/02/1045943602.db2.gz DGVDAYLMSZNZHF-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001137715633 1045943626 /nfs/dbraw/zinc/94/36/26/1045943626.db2.gz DGVDAYLMSZNZHF-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802301167 1045946139 /nfs/dbraw/zinc/94/61/39/1045946139.db2.gz NGBLXMQHNCFXMI-DSLXNQLJSA-N 2 2 311.473 4.080 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000756033474 1046039735 /nfs/dbraw/zinc/03/97/35/1046039735.db2.gz KDAHXYHAEAFWFL-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000756033474 1046039748 /nfs/dbraw/zinc/03/97/48/1046039748.db2.gz KDAHXYHAEAFWFL-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP CCC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000902791918 1046071843 /nfs/dbraw/zinc/07/18/43/1046071843.db2.gz ZULRUYZULPAHLS-OXJNMPFZSA-N 2 2 320.440 4.459 20 0 DIADLP COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000902886053 1046099869 /nfs/dbraw/zinc/09/98/69/1046099869.db2.gz IXPGXEXWSNUKHG-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc3ncccc3c2)C2CCCC2)CC1 ZINC001138113917 1046100452 /nfs/dbraw/zinc/10/04/52/1046100452.db2.gz YLCPQMFAAKGOEB-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc3ncccc3c2)C2CCCC2)CC1 ZINC001138113917 1046100460 /nfs/dbraw/zinc/10/04/60/1046100460.db2.gz YLCPQMFAAKGOEB-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894513 1046103684 /nfs/dbraw/zinc/10/36/84/1046103684.db2.gz MCMJEFPRWFQWBN-HZPDHXFCSA-N 2 2 320.440 4.242 20 0 DIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206627 1046108625 /nfs/dbraw/zinc/10/86/25/1046108625.db2.gz RXLCYHYXKBYJBV-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000532194765 1046110719 /nfs/dbraw/zinc/11/07/19/1046110719.db2.gz SLYXJERKFWGYCZ-CQSZACIVSA-N 2 2 321.852 4.066 20 0 DIADLP C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902915413 1046111932 /nfs/dbraw/zinc/11/19/32/1046111932.db2.gz QXFKFBZMIINDGC-OAHLLOKOSA-N 2 2 321.399 4.351 20 0 DIADLP CSCCCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902959763 1046127137 /nfs/dbraw/zinc/12/71/37/1046127137.db2.gz LBQMBISCOAPQRI-OAHLLOKOSA-N 2 2 303.475 4.056 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)c1cccnc1 ZINC000903379114 1046261951 /nfs/dbraw/zinc/26/19/51/1046261951.db2.gz FLOGBKQKWGNYNE-RTWAWAEBSA-N 2 2 323.484 4.205 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccn1 ZINC000638289775 1046309848 /nfs/dbraw/zinc/30/98/48/1046309848.db2.gz ALKBDSLKTUYQCA-YRISNDGFSA-N 2 2 321.468 4.100 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccn1 ZINC000638289775 1046309865 /nfs/dbraw/zinc/30/98/65/1046309865.db2.gz ALKBDSLKTUYQCA-YRISNDGFSA-N 2 2 321.468 4.100 20 0 DIADLP C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903884501 1046334866 /nfs/dbraw/zinc/33/48/66/1046334866.db2.gz BDTQRGULLPVXDP-DZGCQCFKSA-N 2 2 324.440 4.294 20 0 DIADLP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903884501 1046334878 /nfs/dbraw/zinc/33/48/78/1046334878.db2.gz BDTQRGULLPVXDP-DZGCQCFKSA-N 2 2 324.440 4.294 20 0 DIADLP CCCCOc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001138957860 1046336758 /nfs/dbraw/zinc/33/67/58/1046336758.db2.gz PSTFMDNHPQRIST-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001138957860 1046336765 /nfs/dbraw/zinc/33/67/65/1046336765.db2.gz PSTFMDNHPQRIST-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069749 1046379040 /nfs/dbraw/zinc/37/90/40/1046379040.db2.gz XEMDPPCDDUNDJE-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069749 1046379049 /nfs/dbraw/zinc/37/90/49/1046379049.db2.gz XEMDPPCDDUNDJE-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP c1csc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000045106376 1046401073 /nfs/dbraw/zinc/40/10/73/1046401073.db2.gz RWZUNEPPNIIDEU-QGZVFWFLSA-N 2 2 303.475 4.246 20 0 DIADLP CCOc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001139597704 1046482641 /nfs/dbraw/zinc/48/26/41/1046482641.db2.gz HYGUUVFUDCGTIK-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001139597704 1046482648 /nfs/dbraw/zinc/48/26/48/1046482648.db2.gz HYGUUVFUDCGTIK-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000677652434 1046510026 /nfs/dbraw/zinc/51/00/26/1046510026.db2.gz WYOYQZOQEYQCQK-OAHLLOKOSA-N 2 2 324.255 4.247 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641744779 1046510174 /nfs/dbraw/zinc/51/01/74/1046510174.db2.gz YSCXJPBJOSUHRK-ZHALLVOQSA-N 2 2 315.505 4.165 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc12 ZINC001139753166 1046511701 /nfs/dbraw/zinc/51/17/01/1046511701.db2.gz RATHYGDZARZZGT-UHFFFAOYSA-N 2 2 320.436 4.256 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccccc2C2CC2)C2CCCC2)CC1 ZINC001139883982 1046543012 /nfs/dbraw/zinc/54/30/12/1046543012.db2.gz PXDRBOCWEOVRRU-UHFFFAOYSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2C2CC2)C2CCCC2)CC1 ZINC001139883982 1046543023 /nfs/dbraw/zinc/54/30/23/1046543023.db2.gz PXDRBOCWEOVRRU-UHFFFAOYSA-N 2 2 312.501 4.403 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000783226312 1046565519 /nfs/dbraw/zinc/56/55/19/1046565519.db2.gz ZVGYCSUOOVJRTO-QYZOEREBSA-N 2 2 311.473 4.224 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000783226310 1046566695 /nfs/dbraw/zinc/56/66/95/1046566695.db2.gz ZVGYCSUOOVJRTO-QRVBRYPASA-N 2 2 311.473 4.224 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001140026955 1046570012 /nfs/dbraw/zinc/57/00/12/1046570012.db2.gz RDLZVHAWMUQLIK-INIZCTEOSA-N 2 2 317.436 4.128 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001140026955 1046570026 /nfs/dbraw/zinc/57/00/26/1046570026.db2.gz RDLZVHAWMUQLIK-INIZCTEOSA-N 2 2 317.436 4.128 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140027910 1046570069 /nfs/dbraw/zinc/57/00/69/1046570069.db2.gz GMKALCBDXFJHCJ-HKUYNNGSSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140027910 1046570082 /nfs/dbraw/zinc/57/00/82/1046570082.db2.gz GMKALCBDXFJHCJ-HKUYNNGSSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC001140023440 1046571979 /nfs/dbraw/zinc/57/19/79/1046571979.db2.gz OOWRCRUROYFLMY-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ccc(C)cc2C1 ZINC001140023440 1046571996 /nfs/dbraw/zinc/57/19/96/1046571996.db2.gz OOWRCRUROYFLMY-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C3(c4ccccc4)CCC3)cc2)c[nH+]1 ZINC000236620699 1046590892 /nfs/dbraw/zinc/59/08/92/1046590892.db2.gz UFIWVYQRBILFLV-UHFFFAOYSA-N 2 2 303.409 4.041 20 0 DIADLP CC(C)CCC[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000783653237 1046618311 /nfs/dbraw/zinc/61/83/11/1046618311.db2.gz XEDYEBXYBUFFHZ-UHFFFAOYSA-N 2 2 303.494 4.065 20 0 DIADLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000245703217 1046629375 /nfs/dbraw/zinc/62/93/75/1046629375.db2.gz MAYSYZAKGKLWDO-MBOZVWFJSA-N 2 2 315.505 4.165 20 0 DIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000678997493 1046752086 /nfs/dbraw/zinc/75/20/86/1046752086.db2.gz KZXXMWTWUKIHCF-CJNGLKHVSA-N 2 2 310.869 4.066 20 0 DIADLP c1ccc([C@@H](CC2CC2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000679046390 1046762035 /nfs/dbraw/zinc/76/20/35/1046762035.db2.gz DXCSNBOEEFBXCA-HXUWFJFHSA-N 2 2 321.468 4.181 20 0 DIADLP Fc1ccccc1C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000646025836 1046849053 /nfs/dbraw/zinc/84/90/53/1046849053.db2.gz KOEXROUFORNSPY-UHFFFAOYSA-N 2 2 321.399 4.180 20 0 DIADLP Fc1cc(F)cc([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140806936 1046911273 /nfs/dbraw/zinc/91/12/73/1046911273.db2.gz YBCQUKKZQGEDKL-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cc(F)cc([C@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140806936 1046911286 /nfs/dbraw/zinc/91/12/86/1046911286.db2.gz YBCQUKKZQGEDKL-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000162161218 1046947094 /nfs/dbraw/zinc/94/70/94/1046947094.db2.gz SYDBGHXLOMGXCV-QGZVFWFLSA-N 2 2 312.457 4.212 20 0 DIADLP COc1ccc([C@@H](CC(C)C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000647283925 1046966954 /nfs/dbraw/zinc/96/69/54/1046966954.db2.gz SQJBKWJFTGQCEZ-LJQANCHMSA-N 2 2 315.461 4.049 20 0 DIADLP CC(C)C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1 ZINC000647287757 1046968244 /nfs/dbraw/zinc/96/82/44/1046968244.db2.gz ROFGSJWQGCSWDW-SFHVURJKSA-N 2 2 312.461 4.046 20 0 DIADLP Cc1cccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)c1 ZINC000647333184 1046981219 /nfs/dbraw/zinc/98/12/19/1046981219.db2.gz NRQFISZMQXAUSC-UHFFFAOYSA-N 2 2 321.468 4.028 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC001141237705 1047061355 /nfs/dbraw/zinc/06/13/55/1047061355.db2.gz WUDPZYSSNCBGKG-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC001141237705 1047061361 /nfs/dbraw/zinc/06/13/61/1047061361.db2.gz WUDPZYSSNCBGKG-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP CC[N@H+](Cc1ccc(C)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243243 1047061873 /nfs/dbraw/zinc/06/18/73/1047061873.db2.gz BIZAIDXVCUUAGX-UHFFFAOYSA-N 2 2 305.425 4.203 20 0 DIADLP CC[N@@H+](Cc1ccc(C)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243243 1047061891 /nfs/dbraw/zinc/06/18/91/1047061891.db2.gz BIZAIDXVCUUAGX-UHFFFAOYSA-N 2 2 305.425 4.203 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC(F)(F)F ZINC000536905560 1047124757 /nfs/dbraw/zinc/12/47/57/1047124757.db2.gz OOUCTZBKVNJELB-UHFFFAOYSA-N 2 2 316.411 4.219 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC(F)(F)F ZINC000536905560 1047124762 /nfs/dbraw/zinc/12/47/62/1047124762.db2.gz OOUCTZBKVNJELB-UHFFFAOYSA-N 2 2 316.411 4.219 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838908590 1047171395 /nfs/dbraw/zinc/17/13/95/1047171395.db2.gz HADJCQXWQWNCBI-QPIRBTGLSA-N 2 2 311.473 4.008 20 0 DIADLP CSCCCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000389662256 1047291766 /nfs/dbraw/zinc/29/17/66/1047291766.db2.gz SCNLRVLDEZYNGM-INIZCTEOSA-N 2 2 317.502 4.446 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000840718105 1047318611 /nfs/dbraw/zinc/31/86/11/1047318611.db2.gz WUBCSAKKQHRBDK-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP c1cc2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2s1 ZINC000651863363 1047331433 /nfs/dbraw/zinc/33/14/33/1047331433.db2.gz FUZLBFHBNHZHMG-UHFFFAOYSA-N 2 2 323.465 4.055 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000651959299 1047335893 /nfs/dbraw/zinc/33/58/93/1047335893.db2.gz HGPYQCHQTWBJMP-SFHVURJKSA-N 2 2 309.438 4.019 20 0 DIADLP CC(C)C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000652142636 1047344946 /nfs/dbraw/zinc/34/49/46/1047344946.db2.gz XUYMSESZBCAARW-SFHVURJKSA-N 2 2 303.425 4.179 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000045105599 1047359376 /nfs/dbraw/zinc/35/93/76/1047359376.db2.gz HRVWCANZRXGTEW-LBPRGKRZSA-N 2 2 312.244 4.321 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000726606148 1047368446 /nfs/dbraw/zinc/36/84/46/1047368446.db2.gz ANARQUSXVXUKQU-GHRIWEEISA-N 2 2 303.409 4.065 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123838762 1047455466 /nfs/dbraw/zinc/45/54/66/1047455466.db2.gz KUDPIUJFXTXQMN-HUUCEWRRSA-N 2 2 317.864 4.089 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123838762 1047455473 /nfs/dbraw/zinc/45/54/73/1047455473.db2.gz KUDPIUJFXTXQMN-HUUCEWRRSA-N 2 2 317.864 4.089 20 0 DIADLP c1csc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057598321 1047463173 /nfs/dbraw/zinc/46/31/73/1047463173.db2.gz WSVQKUKFWPGFAF-QGZVFWFLSA-N 2 2 309.438 4.271 20 0 DIADLP c1csc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057598321 1047463181 /nfs/dbraw/zinc/46/31/81/1047463181.db2.gz WSVQKUKFWPGFAF-QGZVFWFLSA-N 2 2 309.438 4.271 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000119651578 1047467022 /nfs/dbraw/zinc/46/70/22/1047467022.db2.gz JFPOHAOXMPFFDV-NSHDSACASA-N 2 2 313.272 4.271 20 0 DIADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000537652547 1047567135 /nfs/dbraw/zinc/56/71/35/1047567135.db2.gz RUOHZNROJQTKME-NSISKUIASA-N 2 2 311.473 4.236 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(C)n1 ZINC000643508568 1047629111 /nfs/dbraw/zinc/62/91/11/1047629111.db2.gz FJXNIFAROTUPHI-MGPUTAFESA-N 2 2 311.473 4.172 20 0 DIADLP Fc1ccc([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000538099623 1047657156 /nfs/dbraw/zinc/65/71/56/1047657156.db2.gz XIFITLDLXFJQLW-HXUWFJFHSA-N 2 2 321.399 4.252 20 0 DIADLP Cc1cc([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)ccc1F ZINC000538116585 1047657767 /nfs/dbraw/zinc/65/77/67/1047657767.db2.gz MWTFVEMBQDHAPG-LJQANCHMSA-N 2 2 313.420 4.072 20 0 DIADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000538709259 1047697880 /nfs/dbraw/zinc/69/78/80/1047697880.db2.gz XGFZBBCXRQRZNX-SFHVURJKSA-N 2 2 317.502 4.070 20 0 DIADLP C[N@@H+]1CCC[C@H](CCNc2[nH+]ccc3cc(Cl)ccc32)C1 ZINC001156380185 1047708471 /nfs/dbraw/zinc/70/84/71/1047708471.db2.gz YJWZJXKERIWEDA-CYBMUJFWSA-N 2 2 303.837 4.032 20 0 DIADLP C[N@H+]1CCC[C@H](CCNc2[nH+]ccc3cc(Cl)ccc32)C1 ZINC001156380185 1047708476 /nfs/dbraw/zinc/70/84/76/1047708476.db2.gz YJWZJXKERIWEDA-CYBMUJFWSA-N 2 2 303.837 4.032 20 0 DIADLP CC(C)[NH+]1CCC(CNc2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001156496166 1047714742 /nfs/dbraw/zinc/71/47/42/1047714742.db2.gz WXKFMLPEDOGORQ-UHFFFAOYSA-N 2 2 317.864 4.421 20 0 DIADLP Cc1ccc2c(C)cc(NCc3ccc(N)[nH+]c3C)[nH+]c2c1C ZINC001156981173 1047731642 /nfs/dbraw/zinc/73/16/42/1047731642.db2.gz RVYKCXBCEPHDCJ-UHFFFAOYSA-N 2 2 306.413 4.058 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000539196029 1047740098 /nfs/dbraw/zinc/74/00/98/1047740098.db2.gz LHTRAXSUYMGWHJ-QGZVFWFLSA-N 2 2 306.881 4.351 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000539196029 1047740101 /nfs/dbraw/zinc/74/01/01/1047740101.db2.gz LHTRAXSUYMGWHJ-QGZVFWFLSA-N 2 2 306.881 4.351 20 0 DIADLP Clc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000539324648 1047748427 /nfs/dbraw/zinc/74/84/27/1047748427.db2.gz BMCYZCMQNNMLES-QGZVFWFLSA-N 2 2 303.837 4.058 20 0 DIADLP Cc1cc(N(CC(C)(C)C)C2CC[NH2+]CC2)[nH+]c2ccccc12 ZINC001157884468 1047761588 /nfs/dbraw/zinc/76/15/88/1047761588.db2.gz YFXYYRMPJGZVSX-UHFFFAOYSA-N 2 2 311.473 4.148 20 0 DIADLP Cc1cccc2c1cc[nH+]c2N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001157883970 1047761829 /nfs/dbraw/zinc/76/18/29/1047761829.db2.gz IZOKOXUGZQYMPU-UHFFFAOYSA-N 2 2 311.473 4.148 20 0 DIADLP C[NH+]1CCC(N(c2[nH+]ccc3ccccc32)C2CCCC2)CC1 ZINC001158485835 1047786706 /nfs/dbraw/zinc/78/67/06/1047786706.db2.gz WELOBDRNTGBJOQ-UHFFFAOYSA-N 2 2 309.457 4.078 20 0 DIADLP [NH3+]C1CCN(c2ccc(Nc3cccc(C4CCC4)c3)c[nH+]2)CC1 ZINC001159323345 1047834198 /nfs/dbraw/zinc/83/41/98/1047834198.db2.gz KSOIGAXTHKZPMU-UHFFFAOYSA-N 2 2 322.456 4.020 20 0 DIADLP C[C@@H](CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC001182918503 1047863978 /nfs/dbraw/zinc/86/39/78/1047863978.db2.gz OVEHLXKRSIANQU-PXNSSMCTSA-N 2 2 300.490 4.177 20 0 DIADLP C[C@@H](CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001182918503 1047863989 /nfs/dbraw/zinc/86/39/89/1047863989.db2.gz OVEHLXKRSIANQU-PXNSSMCTSA-N 2 2 300.490 4.177 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001197881915 1047893931 /nfs/dbraw/zinc/89/39/31/1047893931.db2.gz MUNNZUKCCUCPRL-HNNXBMFYSA-N 2 2 306.881 4.351 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183226331 1047905194 /nfs/dbraw/zinc/90/51/94/1047905194.db2.gz GTFKYKNGOSGMGG-AZUAARDMSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183226331 1047905202 /nfs/dbraw/zinc/90/52/02/1047905202.db2.gz GTFKYKNGOSGMGG-AZUAARDMSA-N 2 2 300.490 4.004 20 0 DIADLP c1ccc(OC2CC[NH2+]CC2)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001159804880 1047927078 /nfs/dbraw/zinc/92/70/78/1047927078.db2.gz AZOFGBXFRXNNQV-UHFFFAOYSA-N 2 2 319.408 4.109 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c[nH+]c1C ZINC001183525880 1047935724 /nfs/dbraw/zinc/93/57/24/1047935724.db2.gz JFTOTDJJTKZBAL-LIRRHRJNSA-N 2 2 301.478 4.153 20 0 DIADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842934 1047969083 /nfs/dbraw/zinc/96/90/83/1047969083.db2.gz QAOGGRVSQJKFHD-DOMZBBRYSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842934 1047969093 /nfs/dbraw/zinc/96/90/93/1047969093.db2.gz QAOGGRVSQJKFHD-DOMZBBRYSA-N 2 2 306.500 4.036 20 0 DIADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1cc2ccccc2o1 ZINC000667553899 1047974502 /nfs/dbraw/zinc/97/45/02/1047974502.db2.gz DOOSHSDHAJFEMN-AWEZNQCLSA-N 2 2 311.429 4.448 20 0 DIADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1cc2ccccc2o1 ZINC000667553899 1047974514 /nfs/dbraw/zinc/97/45/14/1047974514.db2.gz DOOSHSDHAJFEMN-AWEZNQCLSA-N 2 2 311.429 4.448 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C(C)(C)C)oc2C)CC1 ZINC001183865223 1047977074 /nfs/dbraw/zinc/97/70/74/1047977074.db2.gz RGNFYXHLGJLNKP-UHFFFAOYSA-N 2 2 318.505 4.336 20 0 DIADLP c1ccc(O[C@@H]2CCC[NH2+]C2)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001160232474 1048004851 /nfs/dbraw/zinc/00/48/51/1048004851.db2.gz CEJCFXXQOGLYLM-MRXNPFEDSA-N 2 2 319.408 4.109 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc2c(c1)C[NH2+]CC2(C)C ZINC001160284528 1048023004 /nfs/dbraw/zinc/02/30/04/1048023004.db2.gz BPBYJMAYWVHIKZ-UHFFFAOYSA-N 2 2 307.441 4.392 20 0 DIADLP CC1(C)CCC(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001199190087 1048043278 /nfs/dbraw/zinc/04/32/78/1048043278.db2.gz SJSSESFEGROXCT-UHFFFAOYSA-N 2 2 311.473 4.237 20 0 DIADLP CCC1CCC([NH2+]C[C@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC001199188397 1048044182 /nfs/dbraw/zinc/04/41/82/1048044182.db2.gz BGJSLZSZMCWREU-MNLRITNHSA-N 2 2 316.533 4.498 20 0 DIADLP CCC(CC)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001199640564 1048082558 /nfs/dbraw/zinc/08/25/58/1048082558.db2.gz VRPNVYWFMSSQPU-HXUWFJFHSA-N 2 2 302.506 4.485 20 0 DIADLP CC(C)c1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC001184728932 1048087236 /nfs/dbraw/zinc/08/72/36/1048087236.db2.gz CHIGMJCXJRBIFY-UHFFFAOYSA-N 2 2 318.509 4.445 20 0 DIADLP c1cn(-c2ccc(C[NH2+]Cc3ccccc3C3CC3)cc2)c[nH+]1 ZINC001199895310 1048111545 /nfs/dbraw/zinc/11/15/45/1048111545.db2.gz CGELTPLVSNJCPJ-UHFFFAOYSA-N 2 2 303.409 4.040 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001203943641 1048115033 /nfs/dbraw/zinc/11/50/33/1048115033.db2.gz IQSDGUFEQVXMBA-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001203943641 1048115042 /nfs/dbraw/zinc/11/50/42/1048115042.db2.gz IQSDGUFEQVXMBA-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(Cl)cn1 ZINC000480324594 1048122920 /nfs/dbraw/zinc/12/29/20/1048122920.db2.gz GHNPBMXVHQKBBA-CQSZACIVSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(Cl)cn1 ZINC000480324594 1048122928 /nfs/dbraw/zinc/12/29/28/1048122928.db2.gz GHNPBMXVHQKBBA-CQSZACIVSA-N 2 2 309.885 4.040 20 0 DIADLP CCC(C)(C)C1CCC([NH2+]C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001200872072 1048150958 /nfs/dbraw/zinc/15/09/58/1048150958.db2.gz IJQNUEOCGKWZAG-HTWSVDAQSA-N 2 2 312.567 4.008 20 0 DIADLP CCS[C@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001200924051 1048158320 /nfs/dbraw/zinc/15/83/20/1048158320.db2.gz YTUKQKNFTOFWPB-ZFWWWQNUSA-N 2 2 321.515 4.088 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000480635539 1048204131 /nfs/dbraw/zinc/20/41/31/1048204131.db2.gz AVGSAAOOIWAQBR-UAGQMJEPSA-N 2 2 304.503 4.076 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000480635539 1048204139 /nfs/dbraw/zinc/20/41/39/1048204139.db2.gz AVGSAAOOIWAQBR-UAGQMJEPSA-N 2 2 304.503 4.076 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000480751031 1048234383 /nfs/dbraw/zinc/23/43/83/1048234383.db2.gz PSTWRGGXBITNNK-GJZGRUSLSA-N 2 2 311.454 4.351 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000480762683 1048239797 /nfs/dbraw/zinc/23/97/97/1048239797.db2.gz KTDMYERLOHUFDA-IAGOWNOFSA-N 2 2 321.424 4.415 20 0 DIADLP [NH3+][C@H]1CC[C@H](N(CC2CCCC2)c2cccc(C3CC3)[nH+]2)CC1 ZINC001162190024 1048240372 /nfs/dbraw/zinc/24/03/72/1048240372.db2.gz MKKDEHWZJKKPTL-IYARVYRRSA-N 2 2 313.489 4.226 20 0 DIADLP CC(C)c1cc(NCC[C@@H](C)[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC001186078964 1048259177 /nfs/dbraw/zinc/25/91/77/1048259177.db2.gz IEDFGPHQUFLFOZ-MRXNPFEDSA-N 2 2 318.509 4.400 20 0 DIADLP Cc1c[nH+]c(NCC[PH+](C(C)C)C(C)C)nc1NC(C)C ZINC001162357868 1048266218 /nfs/dbraw/zinc/26/62/18/1048266218.db2.gz OMVPZDUVAJPWLU-UHFFFAOYSA-N 2 2 310.426 4.316 20 0 DIADLP c1cc(C[NH+]2CCCC2)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175350712 1048271680 /nfs/dbraw/zinc/27/16/80/1048271680.db2.gz BJDPNEIRPRRUFW-UHFFFAOYSA-N 2 2 322.456 4.021 20 0 DIADLP c1cn2cccc(Nc3ccc(C[NH+]4CCCCC4)cc3)c2[nH+]1 ZINC001175361382 1048277361 /nfs/dbraw/zinc/27/73/61/1048277361.db2.gz JUOUOVIXYOUKPN-UHFFFAOYSA-N 2 2 306.413 4.064 20 0 DIADLP CCC(CC)(C[NH2+]C[C@H]1CCC=CO1)[NH2+][C@H](C)c1ccccc1 ZINC000775027856 1048315495 /nfs/dbraw/zinc/31/54/95/1048315495.db2.gz KZIIXUFBKYWLFS-IEBWSBKVSA-N 2 2 316.489 4.178 20 0 DIADLP CCC(CC)(C[NH2+]C[C@H]1CCC=CO1)[NH2+][C@@H](C)c1ccccc1 ZINC000775027858 1048315546 /nfs/dbraw/zinc/31/55/46/1048315546.db2.gz KZIIXUFBKYWLFS-PKOBYXMFSA-N 2 2 316.489 4.178 20 0 DIADLP CCC[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001201652266 1048346124 /nfs/dbraw/zinc/34/61/24/1048346124.db2.gz HYFLDDOREMFCNS-UHFFFAOYSA-N 2 2 320.480 4.194 20 0 DIADLP CCC[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001201652266 1048346138 /nfs/dbraw/zinc/34/61/38/1048346138.db2.gz HYFLDDOREMFCNS-UHFFFAOYSA-N 2 2 320.480 4.194 20 0 DIADLP CCCCCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001201755923 1048366055 /nfs/dbraw/zinc/36/60/55/1048366055.db2.gz BOLXIAHOYCBFGE-UHFFFAOYSA-N 2 2 306.469 4.302 20 0 DIADLP CCCCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001201755923 1048366067 /nfs/dbraw/zinc/36/60/67/1048366067.db2.gz BOLXIAHOYCBFGE-UHFFFAOYSA-N 2 2 306.469 4.302 20 0 DIADLP Cc1cc(C[NH+](C)C)cc(NCc2cc(C)[nH+]c3c2CCCC3)c1 ZINC001201814999 1048378371 /nfs/dbraw/zinc/37/83/71/1048378371.db2.gz QLGROTIZLTVESR-UHFFFAOYSA-N 2 2 323.484 4.251 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000555537337 1048379917 /nfs/dbraw/zinc/37/99/17/1048379917.db2.gz LLTXCTKQABSGLE-UHFFFAOYSA-N 2 2 303.837 4.025 20 0 DIADLP C[C@H]([NH2+]Cc1cscc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947031 1048407875 /nfs/dbraw/zinc/40/78/75/1048407875.db2.gz QGMZHANUJVVPTL-QWHCGFSZSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@H]([NH2+]Cc1cscc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947031 1048407881 /nfs/dbraw/zinc/40/78/81/1048407881.db2.gz QGMZHANUJVVPTL-QWHCGFSZSA-N 2 2 312.910 4.144 20 0 DIADLP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000667913006 1048449107 /nfs/dbraw/zinc/44/91/07/1048449107.db2.gz UZDBRGQOGVKSLX-QGZVFWFLSA-N 2 2 317.521 4.413 20 0 DIADLP CC(C)c1ccc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH+]c1 ZINC001163318891 1048450614 /nfs/dbraw/zinc/45/06/14/1048450614.db2.gz AZRYKWZOKLIRBB-QGZVFWFLSA-N 2 2 313.489 4.438 20 0 DIADLP c1cc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH+]c(C2CC2)c1 ZINC001163321927 1048451344 /nfs/dbraw/zinc/45/13/44/1048451344.db2.gz LTXARKDMUZIKAU-MRXNPFEDSA-N 2 2 311.473 4.192 20 0 DIADLP CC[NH+]1CCN(c2ccc(Nc3cccc(C(C)C)[nH+]3)cc2)CC1 ZINC001175783375 1048452037 /nfs/dbraw/zinc/45/20/37/1048452037.db2.gz JZKILZYPVRFGSR-UHFFFAOYSA-N 2 2 324.472 4.091 20 0 DIADLP CC1(C)C(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1(C)C ZINC001202119774 1048455926 /nfs/dbraw/zinc/45/59/26/1048455926.db2.gz UUFCBEGKXHCFCF-QGZVFWFLSA-N 2 2 314.517 4.311 20 0 DIADLP CC1(C)C(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1(C)C ZINC001202119774 1048455929 /nfs/dbraw/zinc/45/59/29/1048455929.db2.gz UUFCBEGKXHCFCF-QGZVFWFLSA-N 2 2 314.517 4.311 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@@H](C)C1 ZINC001163361598 1048461606 /nfs/dbraw/zinc/46/16/06/1048461606.db2.gz JLXVDVJGZJKEPZ-QFBILLFUSA-N 2 2 309.457 4.279 20 0 DIADLP CC(C)[N@H+]1CC[C@@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@@H](C)C1 ZINC001163361598 1048461612 /nfs/dbraw/zinc/46/16/12/1048461612.db2.gz JLXVDVJGZJKEPZ-QFBILLFUSA-N 2 2 309.457 4.279 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@H](C)C1 ZINC001163361599 1048461715 /nfs/dbraw/zinc/46/17/15/1048461715.db2.gz JLXVDVJGZJKEPZ-VQIMIIECSA-N 2 2 309.457 4.279 20 0 DIADLP CC(C)[N@H+]1CC[C@@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@H](C)C1 ZINC001163361599 1048461723 /nfs/dbraw/zinc/46/17/23/1048461723.db2.gz JLXVDVJGZJKEPZ-VQIMIIECSA-N 2 2 309.457 4.279 20 0 DIADLP CS[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001202151714 1048474673 /nfs/dbraw/zinc/47/46/73/1048474673.db2.gz XECSHPDILXEGTE-ZWKOTPCHSA-N 2 2 324.578 4.297 20 0 DIADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965927 1048508386 /nfs/dbraw/zinc/50/83/86/1048508386.db2.gz UGRYRFKAFUKLDP-INIZCTEOSA-N 2 2 304.453 4.227 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000482245447 1048572555 /nfs/dbraw/zinc/57/25/55/1048572555.db2.gz ZQUCFNXIEMISNI-CQSZACIVSA-N 2 2 303.837 4.278 20 0 DIADLP Cc1cccc(C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)c1 ZINC000482244872 1048573671 /nfs/dbraw/zinc/57/36/71/1048573671.db2.gz NKPVQQYDFUYEDI-FQEVSTJZSA-N 2 2 323.484 4.193 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1Cl ZINC000482267619 1048578854 /nfs/dbraw/zinc/57/88/54/1048578854.db2.gz PWNZDTHUBUDTMA-CYBMUJFWSA-N 2 2 321.827 4.417 20 0 DIADLP CC[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000107717395 1048591099 /nfs/dbraw/zinc/59/10/99/1048591099.db2.gz RLFAABWQIUXAHW-FQEVSTJZSA-N 2 2 305.425 4.287 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164491580 1048635036 /nfs/dbraw/zinc/63/50/36/1048635036.db2.gz FEMOHEJJWFRUKM-SLFFLAALSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164491580 1048635042 /nfs/dbraw/zinc/63/50/42/1048635042.db2.gz FEMOHEJJWFRUKM-SLFFLAALSA-N 2 2 321.468 4.021 20 0 DIADLP CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001176372248 1048664824 /nfs/dbraw/zinc/66/48/24/1048664824.db2.gz DFZNNQXGOYBASA-QGZVFWFLSA-N 2 2 317.864 4.195 20 0 DIADLP CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC001176372248 1048664834 /nfs/dbraw/zinc/66/48/34/1048664834.db2.gz DFZNNQXGOYBASA-QGZVFWFLSA-N 2 2 317.864 4.195 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000775375529 1048722095 /nfs/dbraw/zinc/72/20/95/1048722095.db2.gz KIRUCQFVBBMXIF-ROUUACIJSA-N 2 2 315.436 4.104 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc2ccccc2o1 ZINC000483127553 1048742470 /nfs/dbraw/zinc/74/24/70/1048742470.db2.gz NGNJYFFLBWXZPG-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP CC(C)(C)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC001166618481 1048774027 /nfs/dbraw/zinc/77/40/27/1048774027.db2.gz JAWWRCWMGIZSNG-UHFFFAOYSA-N 2 2 311.473 4.215 20 0 DIADLP Cc1ccc2c(c1)C[NH+](C/C=C/C[N@H+]1Cc3ccc(C)cc3C1)C2 ZINC000483309794 1048777685 /nfs/dbraw/zinc/77/76/85/1048777685.db2.gz QRUOYVCNZLZNHA-ONEGZZNKSA-N 2 2 318.464 4.191 20 0 DIADLP Cc1ccc2c(c1)C[NH+](C/C=C/C[N@@H+]1Cc3ccc(C)cc3C1)C2 ZINC000483309794 1048777693 /nfs/dbraw/zinc/77/76/93/1048777693.db2.gz QRUOYVCNZLZNHA-ONEGZZNKSA-N 2 2 318.464 4.191 20 0 DIADLP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000483440539 1048798661 /nfs/dbraw/zinc/79/86/61/1048798661.db2.gz OCDUFMJFXNLPGS-VQIMIIECSA-N 2 2 311.473 4.372 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C)CCC2 ZINC000483439150 1048799215 /nfs/dbraw/zinc/79/92/15/1048799215.db2.gz DIMWZPQZBOTNPR-LAVFITLUSA-N 2 2 303.494 4.119 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(C)c(C)cc1C)CCC2 ZINC000483441288 1048799434 /nfs/dbraw/zinc/79/94/34/1048799434.db2.gz PZBMNGZMIWHJOU-QZTJIDSGSA-N 2 2 311.473 4.345 20 0 DIADLP Cc1cc2cc[nH]c2c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)[nH+]1 ZINC001166864668 1048806571 /nfs/dbraw/zinc/80/65/71/1048806571.db2.gz FZNVBVWSGVOSDI-SFHVURJKSA-N 2 2 320.440 4.120 20 0 DIADLP Cc1c[nH+]c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c2[nH]ccc21 ZINC001166889577 1048808151 /nfs/dbraw/zinc/80/81/51/1048808151.db2.gz RPMBTMKCTRCIFI-GOSISDBHSA-N 2 2 320.440 4.120 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001177061525 1048821444 /nfs/dbraw/zinc/82/14/44/1048821444.db2.gz OVVZOTAFWIFHHL-HOJAQTOUSA-N 2 2 300.490 4.239 20 0 DIADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)C1 ZINC001177262000 1048860601 /nfs/dbraw/zinc/86/06/01/1048860601.db2.gz NDCBLUQFONOXRH-QIJZPMMNSA-N 2 2 314.517 4.280 20 0 DIADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)C1 ZINC001177262000 1048860616 /nfs/dbraw/zinc/86/06/16/1048860616.db2.gz NDCBLUQFONOXRH-QIJZPMMNSA-N 2 2 314.517 4.280 20 0 DIADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001177379020 1048876724 /nfs/dbraw/zinc/87/67/24/1048876724.db2.gz IXFUFPBZUKGTAP-ROUUACIJSA-N 2 2 315.505 4.067 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000484064266 1048899968 /nfs/dbraw/zinc/89/99/68/1048899968.db2.gz AJBMIKQABZVGMX-LJQANCHMSA-N 2 2 323.465 4.483 20 0 DIADLP CSc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001203470149 1048910178 /nfs/dbraw/zinc/91/01/78/1048910178.db2.gz BOTSLKMLBTWHKM-LJQANCHMSA-N 2 2 323.465 4.136 20 0 DIADLP Cc1cc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c(C)c1 ZINC001203742108 1048986118 /nfs/dbraw/zinc/98/61/18/1048986118.db2.gz FFUKEGAESNHMOE-UHFFFAOYSA-N 2 2 310.441 4.050 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC2CCC=CCC2)C[N@@H+]1Cc1ccccc1 ZINC001203782765 1048995322 /nfs/dbraw/zinc/99/53/22/1048995322.db2.gz MSPIMIGXWUQMDR-FQEVSTJZSA-N 2 2 312.501 4.376 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC2CCC=CCC2)C[N@H+]1Cc1ccccc1 ZINC001203782765 1048995332 /nfs/dbraw/zinc/99/53/32/1048995332.db2.gz MSPIMIGXWUQMDR-FQEVSTJZSA-N 2 2 312.501 4.376 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CC2CCC=CCC2)C[N@@H+]1Cc1ccccc1 ZINC001203782766 1048995378 /nfs/dbraw/zinc/99/53/78/1048995378.db2.gz MSPIMIGXWUQMDR-HXUWFJFHSA-N 2 2 312.501 4.376 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CC2CCC=CCC2)C[N@H+]1Cc1ccccc1 ZINC001203782766 1048995381 /nfs/dbraw/zinc/99/53/81/1048995381.db2.gz MSPIMIGXWUQMDR-HXUWFJFHSA-N 2 2 312.501 4.376 20 0 DIADLP CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001203806803 1049002503 /nfs/dbraw/zinc/00/25/03/1049002503.db2.gz OJPUTAUNSMNSOS-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001203806803 1049002511 /nfs/dbraw/zinc/00/25/11/1049002511.db2.gz OJPUTAUNSMNSOS-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC1(C)C[C@H]([NH2+]C/C=C/c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001178327057 1049023580 /nfs/dbraw/zinc/02/35/80/1049023580.db2.gz XCGPCLDNZPWBAA-PBAKHKOTSA-N 2 2 320.480 4.343 20 0 DIADLP CC1(C)C[C@H]([NH2+]C/C=C/c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001178327057 1049023589 /nfs/dbraw/zinc/02/35/89/1049023589.db2.gz XCGPCLDNZPWBAA-PBAKHKOTSA-N 2 2 320.480 4.343 20 0 DIADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001178408657 1049034746 /nfs/dbraw/zinc/03/47/46/1049034746.db2.gz CHJNOSPITPRFQS-UHFFFAOYSA-N 2 2 318.480 4.132 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3ccccc23)C2CCCC2)CC1 ZINC001204050209 1049074164 /nfs/dbraw/zinc/07/41/64/1049074164.db2.gz PUPMDPYOXVDVJR-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3ccccc23)C2CCCC2)CC1 ZINC001204050209 1049074170 /nfs/dbraw/zinc/07/41/70/1049074170.db2.gz PUPMDPYOXVDVJR-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC001204111268 1049086756 /nfs/dbraw/zinc/08/67/56/1049086756.db2.gz SGRFBGLDAKLEBQ-GFCCVEGCSA-N 2 2 303.277 4.203 20 0 DIADLP CC(C)(C)C1CC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001178810736 1049092605 /nfs/dbraw/zinc/09/26/05/1049092605.db2.gz MVZRUELTBUZBSY-CTWPCTMYSA-N 2 2 314.517 4.454 20 0 DIADLP CC(C)(C)C1CC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001178810736 1049092617 /nfs/dbraw/zinc/09/26/17/1049092617.db2.gz MVZRUELTBUZBSY-CTWPCTMYSA-N 2 2 314.517 4.454 20 0 DIADLP CCc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001204179674 1049105095 /nfs/dbraw/zinc/10/50/95/1049105095.db2.gz ZAJCZKGHVBUGDT-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP CCc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001204179674 1049105100 /nfs/dbraw/zinc/10/51/00/1049105100.db2.gz ZAJCZKGHVBUGDT-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP C[N@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204232949 1049115346 /nfs/dbraw/zinc/11/53/46/1049115346.db2.gz LYYQCZKKDFHPQI-UHFFFAOYSA-N 2 2 322.443 4.194 20 0 DIADLP C[N@@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204232949 1049115351 /nfs/dbraw/zinc/11/53/51/1049115351.db2.gz LYYQCZKKDFHPQI-UHFFFAOYSA-N 2 2 322.443 4.194 20 0 DIADLP CCCCCCOc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001204298763 1049131782 /nfs/dbraw/zinc/13/17/82/1049131782.db2.gz WEHCSYHCVVEYSP-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CCCCCCOc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001204298763 1049131783 /nfs/dbraw/zinc/13/17/83/1049131783.db2.gz WEHCSYHCVVEYSP-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP C[C@H]1CC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)C1 ZINC001179111426 1049133410 /nfs/dbraw/zinc/13/34/10/1049133410.db2.gz ZSPOBFJUXFOYOB-ZIAGYGMSSA-N 2 2 303.475 4.096 20 0 DIADLP CCC(C)(C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179333506 1049157920 /nfs/dbraw/zinc/15/79/20/1049157920.db2.gz XLXPTAQDTCASCK-SFHVURJKSA-N 2 2 302.506 4.455 20 0 DIADLP CCC(C)(C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179333506 1049157929 /nfs/dbraw/zinc/15/79/29/1049157929.db2.gz XLXPTAQDTCASCK-SFHVURJKSA-N 2 2 302.506 4.455 20 0 DIADLP CCC(C)(C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179333502 1049158063 /nfs/dbraw/zinc/15/80/63/1049158063.db2.gz XLXPTAQDTCASCK-GOSISDBHSA-N 2 2 302.506 4.455 20 0 DIADLP CCC(C)(C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179333502 1049158069 /nfs/dbraw/zinc/15/80/69/1049158069.db2.gz XLXPTAQDTCASCK-GOSISDBHSA-N 2 2 302.506 4.455 20 0 DIADLP Clc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001204445657 1049164291 /nfs/dbraw/zinc/16/42/91/1049164291.db2.gz KVYPCQJHVJDACL-AWEZNQCLSA-N 2 2 312.910 4.242 20 0 DIADLP Clc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001204445657 1049164285 /nfs/dbraw/zinc/16/42/85/1049164285.db2.gz KVYPCQJHVJDACL-AWEZNQCLSA-N 2 2 312.910 4.242 20 0 DIADLP Cc1cc(C)cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001204523596 1049181151 /nfs/dbraw/zinc/18/11/51/1049181151.db2.gz BMHHSHYSNAWRSL-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001204523596 1049181154 /nfs/dbraw/zinc/18/11/54/1049181154.db2.gz BMHHSHYSNAWRSL-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1cc(C)cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001204527118 1049182328 /nfs/dbraw/zinc/18/23/28/1049182328.db2.gz REDNIRQGJJZJEZ-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1cc(C)cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001204527118 1049182331 /nfs/dbraw/zinc/18/23/31/1049182331.db2.gz REDNIRQGJJZJEZ-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1cn2cccc(Nc3ccc(C[NH2+]C(C)(C)C)cc3)c2[nH+]1 ZINC001204677921 1049220052 /nfs/dbraw/zinc/22/00/52/1049220052.db2.gz ZKEPGLLEASPKKR-UHFFFAOYSA-N 2 2 308.429 4.274 20 0 DIADLP Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000195438948 1049229629 /nfs/dbraw/zinc/22/96/29/1049229629.db2.gz HSNICSNPVAHOMT-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP CC(C)=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC001193763149 1049261957 /nfs/dbraw/zinc/26/19/57/1049261957.db2.gz VIMSTWMHVWCKRQ-UHFFFAOYSA-N 2 2 317.864 4.395 20 0 DIADLP CC(C)=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC001193763149 1049261973 /nfs/dbraw/zinc/26/19/73/1049261973.db2.gz VIMSTWMHVWCKRQ-UHFFFAOYSA-N 2 2 317.864 4.395 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099261 1049284605 /nfs/dbraw/zinc/28/46/05/1049284605.db2.gz XIKGBECDBUWRAY-SQWLQELKSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)CC[C@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099261 1049284595 /nfs/dbraw/zinc/28/45/95/1049284595.db2.gz XIKGBECDBUWRAY-SQWLQELKSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)c2ccsc2S1 ZINC001180099261 1049284614 /nfs/dbraw/zinc/28/46/14/1049284614.db2.gz XIKGBECDBUWRAY-SQWLQELKSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)c2ccsc2S1 ZINC001180099261 1049284627 /nfs/dbraw/zinc/28/46/27/1049284627.db2.gz XIKGBECDBUWRAY-SQWLQELKSA-N 2 2 324.559 4.480 20 0 DIADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001204912648 1049308342 /nfs/dbraw/zinc/30/83/42/1049308342.db2.gz YRPXWCSWJCHDQN-LJQANCHMSA-N 2 2 324.443 4.033 20 0 DIADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001204912648 1049308359 /nfs/dbraw/zinc/30/83/59/1049308359.db2.gz YRPXWCSWJCHDQN-LJQANCHMSA-N 2 2 324.443 4.033 20 0 DIADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001204925278 1049313321 /nfs/dbraw/zinc/31/33/21/1049313321.db2.gz OTRSPDLGVZWVHA-KRWDZBQOSA-N 2 2 314.860 4.320 20 0 DIADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001204925278 1049313325 /nfs/dbraw/zinc/31/33/25/1049313325.db2.gz OTRSPDLGVZWVHA-KRWDZBQOSA-N 2 2 314.860 4.320 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001205069283 1049361861 /nfs/dbraw/zinc/36/18/61/1049361861.db2.gz XKAOGJXFRBYREA-HOCLYGCPSA-N 2 2 314.860 4.319 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001205069283 1049361867 /nfs/dbraw/zinc/36/18/67/1049361867.db2.gz XKAOGJXFRBYREA-HOCLYGCPSA-N 2 2 314.860 4.319 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205280502 1049427724 /nfs/dbraw/zinc/42/77/24/1049427724.db2.gz ATCZVPAYICKERX-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205280502 1049427726 /nfs/dbraw/zinc/42/77/26/1049427726.db2.gz ATCZVPAYICKERX-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CCCC12CCC2 ZINC001181196320 1049451955 /nfs/dbraw/zinc/45/19/55/1049451955.db2.gz LVSHEJSKSCCJJE-GOSISDBHSA-N 2 2 304.522 4.345 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001181436325 1049482036 /nfs/dbraw/zinc/48/20/36/1049482036.db2.gz PHZFQWBSEIFLRH-VQTJNVASSA-N 2 2 316.533 4.498 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001181436325 1049482040 /nfs/dbraw/zinc/48/20/40/1049482040.db2.gz PHZFQWBSEIFLRH-VQTJNVASSA-N 2 2 316.533 4.498 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001205650373 1049523109 /nfs/dbraw/zinc/52/31/09/1049523109.db2.gz KRQFEBPJVBLLSH-ZJOUEHCJSA-N 2 2 314.517 4.207 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001205650373 1049523123 /nfs/dbraw/zinc/52/31/23/1049523123.db2.gz KRQFEBPJVBLLSH-ZJOUEHCJSA-N 2 2 314.517 4.207 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001205650370 1049523407 /nfs/dbraw/zinc/52/34/07/1049523407.db2.gz KRQFEBPJVBLLSH-DYXWJJEUSA-N 2 2 314.517 4.207 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001205650370 1049523420 /nfs/dbraw/zinc/52/34/20/1049523420.db2.gz KRQFEBPJVBLLSH-DYXWJJEUSA-N 2 2 314.517 4.207 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001205650525 1049524348 /nfs/dbraw/zinc/52/43/48/1049524348.db2.gz NTNQVMLXXQNMJA-ZCNNSNEGSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001205650525 1049524374 /nfs/dbraw/zinc/52/43/74/1049524374.db2.gz NTNQVMLXXQNMJA-ZCNNSNEGSA-N 2 2 314.517 4.108 20 0 DIADLP CC[C@H](C)C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001205692785 1049535680 /nfs/dbraw/zinc/53/56/80/1049535680.db2.gz LBJFCCKHJSOHQR-HNNXBMFYSA-N 2 2 305.853 4.085 20 0 DIADLP CC[C@H](C)C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001205692785 1049535698 /nfs/dbraw/zinc/53/56/98/1049535698.db2.gz LBJFCCKHJSOHQR-HNNXBMFYSA-N 2 2 305.853 4.085 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3cccc4ccoc43)CC2)c[nH+]1 ZINC001205692559 1049536071 /nfs/dbraw/zinc/53/60/71/1049536071.db2.gz FOTAQGQGDZHECM-UHFFFAOYSA-N 2 2 323.440 4.322 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(Cl)oc2ccccc21 ZINC001205697438 1049539241 /nfs/dbraw/zinc/53/92/41/1049539241.db2.gz YRSFCICGKKSJJX-UHFFFAOYSA-N 2 2 308.853 4.250 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(Cl)oc2ccccc21 ZINC001205697438 1049539257 /nfs/dbraw/zinc/53/92/57/1049539257.db2.gz YRSFCICGKKSJJX-UHFFFAOYSA-N 2 2 308.853 4.250 20 0 DIADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)C ZINC001182033268 1049560621 /nfs/dbraw/zinc/56/06/21/1049560621.db2.gz PTLBWKJIWNZFBP-CYBMUJFWSA-N 2 2 305.853 4.298 20 0 DIADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805668 1049567986 /nfs/dbraw/zinc/56/79/86/1049567986.db2.gz RGTDCRRELSWZLH-KGLIPLIRSA-N 2 2 318.848 4.159 20 0 DIADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805668 1049567991 /nfs/dbraw/zinc/56/79/91/1049567991.db2.gz RGTDCRRELSWZLH-KGLIPLIRSA-N 2 2 318.848 4.159 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[NH+](CC)CC)cc1 ZINC001182109706 1049570281 /nfs/dbraw/zinc/57/02/81/1049570281.db2.gz REQHBSUMUFPARG-ANULTFPQSA-N 2 2 314.517 4.410 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206043392 1049639501 /nfs/dbraw/zinc/63/95/01/1049639501.db2.gz BPAOZPBOGODPHC-FOIQADDNSA-N 2 2 308.469 4.140 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206043392 1049639503 /nfs/dbraw/zinc/63/95/03/1049639503.db2.gz BPAOZPBOGODPHC-FOIQADDNSA-N 2 2 308.469 4.140 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182634783 1049691910 /nfs/dbraw/zinc/69/19/10/1049691910.db2.gz PCHIDJBCGLNGRN-QZTJIDSGSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182634783 1049691914 /nfs/dbraw/zinc/69/19/14/1049691914.db2.gz PCHIDJBCGLNGRN-QZTJIDSGSA-N 2 2 324.871 4.018 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001206643937 1049774517 /nfs/dbraw/zinc/77/45/17/1049774517.db2.gz ARFHNSKYYIDBPQ-HXUWFJFHSA-N 2 2 322.496 4.281 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001206643937 1049774522 /nfs/dbraw/zinc/77/45/22/1049774522.db2.gz ARFHNSKYYIDBPQ-HXUWFJFHSA-N 2 2 322.496 4.281 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001206644170 1049775155 /nfs/dbraw/zinc/77/51/55/1049775155.db2.gz DXRIXUNAKTYFKJ-FHWLQOOXSA-N 2 2 300.490 4.094 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001206644170 1049775163 /nfs/dbraw/zinc/77/51/63/1049775163.db2.gz DXRIXUNAKTYFKJ-FHWLQOOXSA-N 2 2 300.490 4.094 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001206644169 1049775229 /nfs/dbraw/zinc/77/52/29/1049775229.db2.gz DXRIXUNAKTYFKJ-CEXWTWQISA-N 2 2 300.490 4.094 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001206644169 1049775241 /nfs/dbraw/zinc/77/52/41/1049775241.db2.gz DXRIXUNAKTYFKJ-CEXWTWQISA-N 2 2 300.490 4.094 20 0 DIADLP Fc1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c(Cl)c1 ZINC001206692055 1049779164 /nfs/dbraw/zinc/77/91/64/1049779164.db2.gz WWJVIZKPUGUZIP-QGZVFWFLSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC001206692055 1049779169 /nfs/dbraw/zinc/77/91/69/1049779169.db2.gz WWJVIZKPUGUZIP-QGZVFWFLSA-N 2 2 324.871 4.018 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC001206696722 1049781144 /nfs/dbraw/zinc/78/11/44/1049781144.db2.gz CYAAZIBQXQDARS-BPQIPLTHSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC001206696722 1049781152 /nfs/dbraw/zinc/78/11/52/1049781152.db2.gz CYAAZIBQXQDARS-BPQIPLTHSA-N 2 2 322.443 4.065 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207183592 1049854094 /nfs/dbraw/zinc/85/40/94/1049854094.db2.gz CDWVKYMPRSBBCD-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001207183592 1049854106 /nfs/dbraw/zinc/85/41/06/1049854106.db2.gz CDWVKYMPRSBBCD-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP CC(C)[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197440 1049860715 /nfs/dbraw/zinc/86/07/15/1049860715.db2.gz QFQNRZRVUHBOIZ-APWZRJJASA-N 2 2 320.908 4.248 20 0 DIADLP CC(C)[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197440 1049860717 /nfs/dbraw/zinc/86/07/17/1049860717.db2.gz QFQNRZRVUHBOIZ-APWZRJJASA-N 2 2 320.908 4.248 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC(F)(F)CC1 ZINC001207349953 1049883602 /nfs/dbraw/zinc/88/36/02/1049883602.db2.gz VJKFJTDWYHVZEO-UHFFFAOYSA-N 2 2 319.399 4.130 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC(F)(F)CC1 ZINC001207349953 1049883608 /nfs/dbraw/zinc/88/36/08/1049883608.db2.gz VJKFJTDWYHVZEO-UHFFFAOYSA-N 2 2 319.399 4.130 20 0 DIADLP CC(C)c1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001207518884 1049902090 /nfs/dbraw/zinc/90/20/90/1049902090.db2.gz JCPZPVUKFMWJMZ-UHFFFAOYSA-N 2 2 324.468 4.291 20 0 DIADLP CC(C)C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571009045 1049918900 /nfs/dbraw/zinc/91/89/00/1049918900.db2.gz FWLKCLKYDDYUDO-RDJZCZTQSA-N 2 2 317.864 4.297 20 0 DIADLP CCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000571609981 1049940222 /nfs/dbraw/zinc/94/02/22/1049940222.db2.gz DVQLCLYVUYPTFY-UHFFFAOYSA-N 2 2 316.470 4.057 20 0 DIADLP C[C@@H](C[NH+]1CCC(c2c[nH+]cn2C)CC1)c1cccc(Cl)c1 ZINC001207824734 1049941026 /nfs/dbraw/zinc/94/10/26/1049941026.db2.gz TUWQNHONDCSZQJ-AWEZNQCLSA-N 2 2 317.864 4.057 20 0 DIADLP Cc1ccc([C@H](C)CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)o1 ZINC001208159248 1049979467 /nfs/dbraw/zinc/97/94/67/1049979467.db2.gz FEQQJNVWIQJEOZ-OAHLLOKOSA-N 2 2 314.429 4.020 20 0 DIADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CCCC1 ZINC001208186933 1049982841 /nfs/dbraw/zinc/98/28/41/1049982841.db2.gz BEUFWEFATWSXIA-SFHVURJKSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CCCC1 ZINC001208186933 1049982845 /nfs/dbraw/zinc/98/28/45/1049982845.db2.gz BEUFWEFATWSXIA-SFHVURJKSA-N 2 2 322.443 4.224 20 0 DIADLP CC[N@H+](CC[C@@H](C)CCCC(C)(C)OC)C1CC[NH+](C)CC1 ZINC001208207256 1049985852 /nfs/dbraw/zinc/98/58/52/1049985852.db2.gz XGBFHLWRYVHMEY-KRWDZBQOSA-N 2 2 312.542 4.024 20 0 DIADLP CC[N@@H+](CC[C@@H](C)CCCC(C)(C)OC)C1CC[NH+](C)CC1 ZINC001208207256 1049985857 /nfs/dbraw/zinc/98/58/57/1049985857.db2.gz XGBFHLWRYVHMEY-KRWDZBQOSA-N 2 2 312.542 4.024 20 0 DIADLP C[C@@H](CCc1ccco1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572112041 1049994504 /nfs/dbraw/zinc/99/45/04/1049994504.db2.gz AIGHHHBOMIIIKS-MGPUTAFESA-N 2 2 308.425 4.044 20 0 DIADLP C[NH+]1CCC([N@H+](CCC2CCCC2)Cc2ccc(F)cc2)CC1 ZINC001208699008 1050003635 /nfs/dbraw/zinc/00/36/35/1050003635.db2.gz PPAZKBSRZGWHNH-UHFFFAOYSA-N 2 2 318.480 4.302 20 0 DIADLP C[NH+]1CCC([N@@H+](CCC2CCCC2)Cc2ccc(F)cc2)CC1 ZINC001208699008 1050003638 /nfs/dbraw/zinc/00/36/38/1050003638.db2.gz PPAZKBSRZGWHNH-UHFFFAOYSA-N 2 2 318.480 4.302 20 0 DIADLP Fc1ccccc1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209448859 1050060089 /nfs/dbraw/zinc/06/00/89/1050060089.db2.gz LUTIRIWWFJCCML-LJQANCHMSA-N 2 2 304.453 4.229 20 0 DIADLP Fc1ccccc1[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209448859 1050060095 /nfs/dbraw/zinc/06/00/95/1050060095.db2.gz LUTIRIWWFJCCML-LJQANCHMSA-N 2 2 304.453 4.229 20 0 DIADLP Cc1cc(Oc2ccc(Nc3c[nH+]c(N)cc3C)cc2)cc[nH+]1 ZINC001209969398 1050113532 /nfs/dbraw/zinc/11/35/32/1050113532.db2.gz MWDBEROSTIAPNN-UHFFFAOYSA-N 2 2 306.369 4.212 20 0 DIADLP Cc1cc(Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1[NH+](C)C ZINC001210042034 1050127693 /nfs/dbraw/zinc/12/76/93/1050127693.db2.gz UTWJIIAPNUESAM-UHFFFAOYSA-N 2 2 323.484 4.443 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2Cl)CC[NH2+]1 ZINC001210497113 1050267795 /nfs/dbraw/zinc/26/77/95/1050267795.db2.gz LEIVBFAIWZLVOS-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2Cl)CC[NH2+]1 ZINC001210497113 1050267805 /nfs/dbraw/zinc/26/78/05/1050267805.db2.gz LEIVBFAIWZLVOS-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc3sc4ccccc4c3c2)CC[NH2+]1 ZINC001210518985 1050279183 /nfs/dbraw/zinc/27/91/83/1050279183.db2.gz KPQHMXZUDTUDJR-CQSZACIVSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc3sc4ccccc4c3c2)CC[NH2+]1 ZINC001210518985 1050279187 /nfs/dbraw/zinc/27/91/87/1050279187.db2.gz KPQHMXZUDTUDJR-CQSZACIVSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CC1(C)C ZINC000785508052 1050383680 /nfs/dbraw/zinc/38/36/80/1050383680.db2.gz MLZMGQURQSFITP-DNVCBOLYSA-N 2 2 315.505 4.064 20 0 DIADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000766215115 1050443543 /nfs/dbraw/zinc/44/35/43/1050443543.db2.gz DEFDWBINCQCJCL-UHFFFAOYSA-N 2 2 304.453 4.021 20 0 DIADLP Cc1ccc(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)[nH+]c1 ZINC001211013324 1050446793 /nfs/dbraw/zinc/44/67/93/1050446793.db2.gz CJWCKMORNQTWDC-HXUWFJFHSA-N 2 2 321.468 4.477 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000766243712 1050597686 /nfs/dbraw/zinc/59/76/86/1050597686.db2.gz PGXUQGPASOWDHV-MRXNPFEDSA-N 2 2 323.362 4.047 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000766243712 1050597701 /nfs/dbraw/zinc/59/77/01/1050597701.db2.gz PGXUQGPASOWDHV-MRXNPFEDSA-N 2 2 323.362 4.047 20 0 DIADLP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000575097870 1050645952 /nfs/dbraw/zinc/64/59/52/1050645952.db2.gz RMXXJLSRMKQJDY-UZLBHIALSA-N 2 2 309.457 4.013 20 0 DIADLP c1ccc(NC2CC[NH+](Cc3ccccc3C3CC3)CC2)[nH+]c1 ZINC000846836304 1050767116 /nfs/dbraw/zinc/76/71/16/1050767116.db2.gz CNLZVJPZOKLJPU-UHFFFAOYSA-N 2 2 307.441 4.036 20 0 DIADLP Cc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000742391862 1050829683 /nfs/dbraw/zinc/82/96/83/1050829683.db2.gz MUHKIVOIPMSVBG-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391472 1050829745 /nfs/dbraw/zinc/82/97/45/1050829745.db2.gz JNKFNWDWMKKGNI-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000773067693 1051045056 /nfs/dbraw/zinc/04/50/56/1051045056.db2.gz JUGUFSUEUNRPDU-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000792284533 1051129809 /nfs/dbraw/zinc/12/98/09/1051129809.db2.gz ZGHDMQUIHMOFNC-HNNXBMFYSA-N 2 2 311.454 4.401 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC001170195917 1051153289 /nfs/dbraw/zinc/15/32/89/1051153289.db2.gz WCUGHTBPSOOPKJ-UHFFFAOYSA-N 2 2 308.897 4.284 20 0 DIADLP CC[NH+](CC)CCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC001170195917 1051153294 /nfs/dbraw/zinc/15/32/94/1051153294.db2.gz WCUGHTBPSOOPKJ-UHFFFAOYSA-N 2 2 308.897 4.284 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2nc3ccccc3s2)CC1(C)C ZINC001171614348 1051177064 /nfs/dbraw/zinc/17/70/64/1051177064.db2.gz YDHFEVFAZNMCEA-UHFFFAOYSA-N 2 2 317.502 4.037 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]C2(c3ccc(F)cc3F)CC2)CC1(C)C ZINC001171625066 1051180013 /nfs/dbraw/zinc/18/00/13/1051180013.db2.gz ANZZQOCBZZXQFS-UHFFFAOYSA-N 2 2 322.443 4.195 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC001171627501 1051181396 /nfs/dbraw/zinc/18/13/96/1051181396.db2.gz SJZAAIQDMYNCKV-OAHLLOKOSA-N 2 2 322.880 4.015 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2COc3cc(Cl)ccc32)CC1(C)C ZINC001171627592 1051181615 /nfs/dbraw/zinc/18/16/15/1051181615.db2.gz YESSVTVWYKTYMQ-OAHLLOKOSA-N 2 2 322.880 4.015 20 0 DIADLP CC[N@H+](Cc1cccc(F)c1F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640906 1051197931 /nfs/dbraw/zinc/19/79/31/1051197931.db2.gz KDOXQXGLNDFSJM-UHFFFAOYSA-N 2 2 324.459 4.438 20 0 DIADLP CC[N@@H+](Cc1cccc(F)c1F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640906 1051197938 /nfs/dbraw/zinc/19/79/38/1051197938.db2.gz KDOXQXGLNDFSJM-UHFFFAOYSA-N 2 2 324.459 4.438 20 0 DIADLP C[C@H](Cc1cccs1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327232 1051246553 /nfs/dbraw/zinc/24/65/53/1051246553.db2.gz VKXKVXRLQDKAGU-HUUCEWRRSA-N 2 2 311.454 4.216 20 0 DIADLP C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327228 1051247920 /nfs/dbraw/zinc/24/79/20/1051247920.db2.gz VKXKVXRLQDKAGU-CABCVRRESA-N 2 2 311.454 4.216 20 0 DIADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172319031 1051339497 /nfs/dbraw/zinc/33/94/97/1051339497.db2.gz OKPYWILOKSLGAV-HBFSDRIKSA-N 2 2 318.505 4.007 20 0 DIADLP CCCCCC[C@@H](CCC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001172382964 1051388444 /nfs/dbraw/zinc/38/84/44/1051388444.db2.gz FVUBYJDFKBZYDR-GOSISDBHSA-N 2 2 312.542 4.168 20 0 DIADLP CCCCCC[C@@H](CCC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001172382964 1051388458 /nfs/dbraw/zinc/38/84/58/1051388458.db2.gz FVUBYJDFKBZYDR-GOSISDBHSA-N 2 2 312.542 4.168 20 0 DIADLP CC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001172389116 1051392797 /nfs/dbraw/zinc/39/27/97/1051392797.db2.gz LMBMIQRGQRCIEN-GOSISDBHSA-N 2 2 318.505 4.074 20 0 DIADLP CC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001172389117 1051393060 /nfs/dbraw/zinc/39/30/60/1051393060.db2.gz LMBMIQRGQRCIEN-SFHVURJKSA-N 2 2 318.505 4.074 20 0 DIADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172535458 1051450036 /nfs/dbraw/zinc/45/00/36/1051450036.db2.gz VPWFEPQDWWWHDA-UXHICEINSA-N 2 2 300.490 4.034 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001172717854 1051480331 /nfs/dbraw/zinc/48/03/31/1051480331.db2.gz YYFXTFINOHLUOB-SFHVURJKSA-N 2 2 323.827 4.002 20 0 DIADLP CCOc1ccc([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C ZINC001169148859 1051534523 /nfs/dbraw/zinc/53/45/23/1051534523.db2.gz WKRVNHKRQRYMHP-LPHOPBHVSA-N 2 2 304.478 4.349 20 0 DIADLP Cc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1[NH+](C)C ZINC001169150086 1051535549 /nfs/dbraw/zinc/53/55/49/1051535549.db2.gz ASBVLQRZFUMLCW-APWZRJJASA-N 2 2 303.494 4.017 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001169261448 1051560331 /nfs/dbraw/zinc/56/03/31/1051560331.db2.gz FZPZMEMEQBKZRI-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001169261448 1051560347 /nfs/dbraw/zinc/56/03/47/1051560347.db2.gz FZPZMEMEQBKZRI-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000493256456 1051607223 /nfs/dbraw/zinc/60/72/23/1051607223.db2.gz NOQPSBYCXNWMNO-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000493256456 1051607228 /nfs/dbraw/zinc/60/72/28/1051607228.db2.gz NOQPSBYCXNWMNO-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173206775 1051644676 /nfs/dbraw/zinc/64/46/76/1051644676.db2.gz WXSDJRIVONIFPL-WIYYLYMNSA-N 2 2 322.496 4.281 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173206775 1051644684 /nfs/dbraw/zinc/64/46/84/1051644684.db2.gz WXSDJRIVONIFPL-WIYYLYMNSA-N 2 2 322.496 4.281 20 0 DIADLP CCCC[C@H](CC(C)C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001173249920 1051652745 /nfs/dbraw/zinc/65/27/45/1051652745.db2.gz LHPGFMNPFPJUBX-HXUWFJFHSA-N 2 2 302.506 4.313 20 0 DIADLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173270146 1051667514 /nfs/dbraw/zinc/66/75/14/1051667514.db2.gz AVUPSKWIYRNXIU-OXQOHEQNSA-N 2 2 318.480 4.267 20 0 DIADLP CCSC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001173286987 1051690624 /nfs/dbraw/zinc/69/06/24/1051690624.db2.gz JEHPKXONSFVRFE-ATZDWAIDSA-N 2 2 314.498 4.159 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183190236 1051710382 /nfs/dbraw/zinc/71/03/82/1051710382.db2.gz BGRWXUCRIHQDHS-QLFBSQMISA-N 2 2 322.443 4.268 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183190236 1051710394 /nfs/dbraw/zinc/71/03/94/1051710394.db2.gz BGRWXUCRIHQDHS-QLFBSQMISA-N 2 2 322.443 4.268 20 0 DIADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000767373744 1051798796 /nfs/dbraw/zinc/79/87/96/1051798796.db2.gz BFBCYOIOTSDAIN-FOIQADDNSA-N 2 2 312.457 4.039 20 0 DIADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000767373744 1051798815 /nfs/dbraw/zinc/79/88/15/1051798815.db2.gz BFBCYOIOTSDAIN-FOIQADDNSA-N 2 2 312.457 4.039 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1Nc1ccc2c[nH+]ccc2c1 ZINC001216551940 1051813754 /nfs/dbraw/zinc/81/37/54/1051813754.db2.gz DSNNAUIBGDFFBC-UHFFFAOYSA-N 2 2 300.365 4.223 20 0 DIADLP C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768264046 1051911284 /nfs/dbraw/zinc/91/12/84/1051911284.db2.gz ZHMBTBWTTIBWLZ-CQSZACIVSA-N 2 2 318.411 4.219 20 0 DIADLP C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768264046 1051911293 /nfs/dbraw/zinc/91/12/93/1051911293.db2.gz ZHMBTBWTTIBWLZ-CQSZACIVSA-N 2 2 318.411 4.219 20 0 DIADLP CC1CC[NH+]([C@@H](C[NH2+]C2CC(C(F)F)C2)c2ccccc2)CC1 ZINC000768690043 1051957577 /nfs/dbraw/zinc/95/75/77/1051957577.db2.gz SQWIQWVOYWZCQQ-ABHNRTSZSA-N 2 2 322.443 4.093 20 0 DIADLP CCCCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000808675296 1052065223 /nfs/dbraw/zinc/06/52/23/1052065223.db2.gz BZYVCYQTNZTXIZ-QGZVFWFLSA-N 2 2 305.510 4.347 20 0 DIADLP C[C@@H]([NH2+]CCSC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089516366 1052379900 /nfs/dbraw/zinc/37/99/00/1052379900.db2.gz HOBPUEMUMPRSBF-CQSZACIVSA-N 2 2 303.475 4.055 20 0 DIADLP C[C@@H]([NH2+]C/C=C/c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000237388882 1052440479 /nfs/dbraw/zinc/44/04/79/1052440479.db2.gz BHWSGZCXQRAVQV-RCMYXZNBSA-N 2 2 303.409 4.236 20 0 DIADLP Fc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1-c1ccccc1 ZINC001222259418 1052470074 /nfs/dbraw/zinc/47/00/74/1052470074.db2.gz PHECEMFPMJRNEW-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1-c1ccccc1 ZINC001222259418 1052470080 /nfs/dbraw/zinc/47/00/80/1052470080.db2.gz PHECEMFPMJRNEW-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282441 1052473725 /nfs/dbraw/zinc/47/37/25/1052473725.db2.gz JHENQBWDZQZCDD-HXUWFJFHSA-N 2 2 322.477 4.382 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282441 1052473730 /nfs/dbraw/zinc/47/37/30/1052473730.db2.gz JHENQBWDZQZCDD-HXUWFJFHSA-N 2 2 322.477 4.382 20 0 DIADLP Cc1cc(C)c(Cl)c(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222298533 1052475767 /nfs/dbraw/zinc/47/57/67/1052475767.db2.gz YPRMLBFRSFNTSE-UHFFFAOYSA-N 2 2 306.881 4.065 20 0 DIADLP c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346318 1052487404 /nfs/dbraw/zinc/48/74/04/1052487404.db2.gz QAFSVAFPVOBQNV-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2ccccc2)sc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346318 1052487407 /nfs/dbraw/zinc/48/74/07/1052487407.db2.gz QAFSVAFPVOBQNV-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222356044 1052489707 /nfs/dbraw/zinc/48/97/07/1052489707.db2.gz WLQVKCFUKAMGJO-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222356044 1052489712 /nfs/dbraw/zinc/48/97/12/1052489712.db2.gz WLQVKCFUKAMGJO-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353478 1052490153 /nfs/dbraw/zinc/49/01/53/1052490153.db2.gz BMJDVYPXTXHCSU-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353478 1052490156 /nfs/dbraw/zinc/49/01/56/1052490156.db2.gz BMJDVYPXTXHCSU-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222427577 1052499570 /nfs/dbraw/zinc/49/95/70/1052499570.db2.gz SULIAYVQBPVQBT-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccccc2C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222427577 1052499572 /nfs/dbraw/zinc/49/95/72/1052499572.db2.gz SULIAYVQBPVQBT-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP Cc1c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cccc1-c1ccccc1 ZINC001222434963 1052500188 /nfs/dbraw/zinc/50/01/88/1052500188.db2.gz MKYWUWFEKZWEKS-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cccc1-c1ccccc1 ZINC001222434963 1052500196 /nfs/dbraw/zinc/50/01/96/1052500196.db2.gz MKYWUWFEKZWEKS-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP CC(C)(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222464713 1052502756 /nfs/dbraw/zinc/50/27/56/1052502756.db2.gz CSLKWHJUVZRQBW-QGZVFWFLSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222464713 1052502762 /nfs/dbraw/zinc/50/27/62/1052502762.db2.gz CSLKWHJUVZRQBW-QGZVFWFLSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000763395284 1052623248 /nfs/dbraw/zinc/62/32/48/1052623248.db2.gz LWEDJHIUZGWYAW-IRXDYDNUSA-N 2 2 317.864 4.228 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1Cl ZINC000037786461 1052629189 /nfs/dbraw/zinc/62/91/89/1052629189.db2.gz FBOMBZOSPIKLRX-GFCCVEGCSA-N 2 2 312.860 4.393 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000556063632 1052795206 /nfs/dbraw/zinc/79/52/06/1052795206.db2.gz OGWIMEOFEKLONV-GOEBONIOSA-N 2 2 320.889 4.327 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000556063632 1052795214 /nfs/dbraw/zinc/79/52/14/1052795214.db2.gz OGWIMEOFEKLONV-GOEBONIOSA-N 2 2 320.889 4.327 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129624909 1052799090 /nfs/dbraw/zinc/79/90/90/1052799090.db2.gz NMYBCUXBSCIRSZ-MDZLAQPJSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129624909 1052799092 /nfs/dbraw/zinc/79/90/92/1052799092.db2.gz NMYBCUXBSCIRSZ-MDZLAQPJSA-N 2 2 301.261 4.127 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCC(C)C)CC1 ZINC000558000848 1052880990 /nfs/dbraw/zinc/88/09/90/1052880990.db2.gz SZYDFLXKLRYNDT-UHFFFAOYSA-N 2 2 318.505 4.028 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCC(C)C)CC1 ZINC000558000848 1052880998 /nfs/dbraw/zinc/88/09/98/1052880998.db2.gz SZYDFLXKLRYNDT-UHFFFAOYSA-N 2 2 318.505 4.028 20 0 DIADLP CC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCC1 ZINC000322493147 1052900138 /nfs/dbraw/zinc/90/01/38/1052900138.db2.gz ZAMZEGIEIAWDGW-LJQANCHMSA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCC1 ZINC000322493147 1052900142 /nfs/dbraw/zinc/90/01/42/1052900142.db2.gz ZAMZEGIEIAWDGW-LJQANCHMSA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@H](C)[C@@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000179992401 1053040573 /nfs/dbraw/zinc/04/05/73/1053040573.db2.gz AEOSEVRYXKHGGT-JKSUJKDBSA-N 2 2 303.494 4.064 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001474625238 1053064929 /nfs/dbraw/zinc/06/49/29/1053064929.db2.gz KOLHSBYAJCIYQC-QILLFSRXSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001474625238 1053064937 /nfs/dbraw/zinc/06/49/37/1053064937.db2.gz KOLHSBYAJCIYQC-QILLFSRXSA-N 2 2 320.908 4.439 20 0 DIADLP CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181391538 1053201552 /nfs/dbraw/zinc/20/15/52/1053201552.db2.gz ORHHYWUGJXEMJM-QGZVFWFLSA-N 2 2 313.489 4.081 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251589874 1053239480 /nfs/dbraw/zinc/23/94/80/1053239480.db2.gz XKQZWPFARJYQJK-QJPTWQEYSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251589874 1053239493 /nfs/dbraw/zinc/23/94/93/1053239493.db2.gz XKQZWPFARJYQJK-QJPTWQEYSA-N 2 2 301.261 4.114 20 0 DIADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383068 1053239714 /nfs/dbraw/zinc/23/97/14/1053239714.db2.gz IZBZPEINSOWNCI-QWRGUYRKSA-N 2 2 321.317 4.437 20 0 DIADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383068 1053239725 /nfs/dbraw/zinc/23/97/25/1053239725.db2.gz IZBZPEINSOWNCI-QWRGUYRKSA-N 2 2 321.317 4.437 20 0 DIADLP Clc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000091261948 1053256924 /nfs/dbraw/zinc/25/69/24/1053256924.db2.gz KWVVFUJFSSRQNC-MRXNPFEDSA-N 2 2 324.255 4.321 20 0 DIADLP Cc1ccc([C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000091306970 1053257676 /nfs/dbraw/zinc/25/76/76/1053257676.db2.gz PUFZPGWSGOMIAI-NRFANRHFSA-N 2 2 317.436 4.422 20 0 DIADLP CC[C@@H](C)CCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320060750 1053300037 /nfs/dbraw/zinc/30/00/37/1053300037.db2.gz GDEBXVSTRSPDFG-CQSZACIVSA-N 2 2 314.433 4.121 20 0 DIADLP CC[NH+](CC)C1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC001320877664 1053371529 /nfs/dbraw/zinc/37/15/29/1053371529.db2.gz OMFVWJVJIOGLRS-HNNXBMFYSA-N 2 2 308.897 4.250 20 0 DIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001200243995 1053493911 /nfs/dbraw/zinc/49/39/11/1053493911.db2.gz OTUQFUUSTVSSQM-ZDUSSCGKSA-N 2 2 315.288 4.203 20 0 DIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001200243995 1053493918 /nfs/dbraw/zinc/49/39/18/1053493918.db2.gz OTUQFUUSTVSSQM-ZDUSSCGKSA-N 2 2 315.288 4.203 20 0 DIADLP Cc1c(F)ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1F ZINC001231478794 1053760798 /nfs/dbraw/zinc/76/07/98/1053760798.db2.gz NIOGGLQBIIGEOC-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1c(F)ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1F ZINC001231478794 1053760803 /nfs/dbraw/zinc/76/08/03/1053760803.db2.gz NIOGGLQBIIGEOC-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(SC2CCCC2)cc1 ZINC000155753368 1053784364 /nfs/dbraw/zinc/78/43/64/1053784364.db2.gz SRJSZHSCAGGODD-HNNXBMFYSA-N 2 2 315.486 4.269 20 0 DIADLP Cc1sc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001231649124 1053817169 /nfs/dbraw/zinc/81/71/69/1053817169.db2.gz LNHHMXPCFOCAFY-UHFFFAOYSA-N 2 2 311.454 4.243 20 0 DIADLP CC[N@H+](Cc1ccc(OC(C)C)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001231712837 1053836131 /nfs/dbraw/zinc/83/61/31/1053836131.db2.gz FVBYIUXPJLYQAD-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CC[N@@H+](Cc1ccc(OC(C)C)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001231712837 1053836149 /nfs/dbraw/zinc/83/61/49/1053836149.db2.gz FVBYIUXPJLYQAD-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001231809223 1053869255 /nfs/dbraw/zinc/86/92/55/1053869255.db2.gz JDJVKIQINAISER-KNQAVFIVSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001231809223 1053869267 /nfs/dbraw/zinc/86/92/67/1053869267.db2.gz JDJVKIQINAISER-KNQAVFIVSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001231809223 1053869275 /nfs/dbraw/zinc/86/92/75/1053869275.db2.gz JDJVKIQINAISER-KNQAVFIVSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001231809223 1053869289 /nfs/dbraw/zinc/86/92/89/1053869289.db2.gz JDJVKIQINAISER-KNQAVFIVSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000158104960 1053887348 /nfs/dbraw/zinc/88/73/48/1053887348.db2.gz FDIXHGKADWFNBA-VDZJLULYSA-N 2 2 312.457 4.149 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000158104960 1053887362 /nfs/dbraw/zinc/88/73/62/1053887362.db2.gz FDIXHGKADWFNBA-VDZJLULYSA-N 2 2 312.457 4.149 20 0 DIADLP CC(C)c1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001231874397 1053903055 /nfs/dbraw/zinc/90/30/55/1053903055.db2.gz PJSQFQXGHIDPIR-UHFFFAOYSA-N 2 2 310.441 4.248 20 0 DIADLP Fc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)c(F)c1 ZINC001232015069 1053939456 /nfs/dbraw/zinc/93/94/56/1053939456.db2.gz AEGNKJCHMMBTBJ-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc([C@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)c(F)c1 ZINC001232015069 1053939473 /nfs/dbraw/zinc/93/94/73/1053939473.db2.gz AEGNKJCHMMBTBJ-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc(F)c([C@@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014612 1053942175 /nfs/dbraw/zinc/94/21/75/1053942175.db2.gz SLBUKXXHVBRVTE-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc(F)c([C@@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014612 1053942191 /nfs/dbraw/zinc/94/21/91/1053942191.db2.gz SLBUKXXHVBRVTE-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cc(F)cc([C@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232018152 1053942674 /nfs/dbraw/zinc/94/26/74/1053942674.db2.gz FWCPKPFWPBEQDM-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cc(F)cc([C@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232018152 1053942683 /nfs/dbraw/zinc/94/26/83/1053942683.db2.gz FWCPKPFWPBEQDM-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Cc1[nH]c(C2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)[nH+]c1C ZINC001332303154 1054112206 /nfs/dbraw/zinc/11/22/06/1054112206.db2.gz DAQNETHIMPSSOL-UHFFFAOYSA-N 2 2 320.440 4.267 20 0 DIADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)sc1C ZINC001233710936 1054339387 /nfs/dbraw/zinc/33/93/87/1054339387.db2.gz XYKIZVUTNLTBFL-UHFFFAOYSA-N 2 2 306.519 4.204 20 0 DIADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)sc1C ZINC001233710936 1054339400 /nfs/dbraw/zinc/33/94/00/1054339400.db2.gz XYKIZVUTNLTBFL-UHFFFAOYSA-N 2 2 306.519 4.204 20 0 DIADLP CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234066208 1054428149 /nfs/dbraw/zinc/42/81/49/1054428149.db2.gz IZZHSBOBWVQXGZ-QGZVFWFLSA-N 2 2 313.445 4.036 20 0 DIADLP CCC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234066208 1054428161 /nfs/dbraw/zinc/42/81/61/1054428161.db2.gz IZZHSBOBWVQXGZ-QGZVFWFLSA-N 2 2 313.445 4.036 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2Cl)[nH+]1 ZINC001344076079 1054464115 /nfs/dbraw/zinc/46/41/15/1054464115.db2.gz RUDGWGCNSLCSLQ-MRXNPFEDSA-N 2 2 315.848 4.120 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2Cl)[nH+]1 ZINC001344076079 1054464120 /nfs/dbraw/zinc/46/41/20/1054464120.db2.gz RUDGWGCNSLCSLQ-MRXNPFEDSA-N 2 2 315.848 4.120 20 0 DIADLP Cc1cc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc(C)c1-c1ccc(F)cc1 ZINC001235007591 1054641471 /nfs/dbraw/zinc/64/14/71/1054641471.db2.gz OTFANOBXMVASKO-UHFFFAOYSA-N 2 2 324.443 4.033 20 0 DIADLP Cc1cc(C[N@H+]2CC3CC2(C[NH3+])C3)cc(C)c1-c1ccc(F)cc1 ZINC001235007591 1054641479 /nfs/dbraw/zinc/64/14/79/1054641479.db2.gz OTFANOBXMVASKO-UHFFFAOYSA-N 2 2 324.443 4.033 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000178302287 1054649176 /nfs/dbraw/zinc/64/91/76/1054649176.db2.gz MFLLNONTVNWBNM-AYBZRNKSSA-N 2 2 312.457 4.292 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000178302287 1054649183 /nfs/dbraw/zinc/64/91/83/1054649183.db2.gz MFLLNONTVNWBNM-AYBZRNKSSA-N 2 2 312.457 4.292 20 0 DIADLP CC(C)(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)Sc1ccc(Cl)cc1 ZINC001235110096 1054658986 /nfs/dbraw/zinc/65/89/86/1054658986.db2.gz IMSJIYRDTPTONL-KRWDZBQOSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)(C[N@H+]1CCC[C@@]12CC[NH2+]C2)Sc1ccc(Cl)cc1 ZINC001235110096 1054658994 /nfs/dbraw/zinc/65/89/94/1054658994.db2.gz IMSJIYRDTPTONL-KRWDZBQOSA-N 2 2 324.921 4.039 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235115499 1054662735 /nfs/dbraw/zinc/66/27/35/1054662735.db2.gz BEAYEDHKVBLTTA-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235115499 1054662740 /nfs/dbraw/zinc/66/27/40/1054662740.db2.gz BEAYEDHKVBLTTA-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP c1sc2ccccc2c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235166797 1054669742 /nfs/dbraw/zinc/66/97/42/1054669742.db2.gz CHJDUDSWBWUSQN-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1sc2ccccc2c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235166797 1054669750 /nfs/dbraw/zinc/66/97/50/1054669750.db2.gz CHJDUDSWBWUSQN-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1c2ccccc2sc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235168842 1054670452 /nfs/dbraw/zinc/67/04/52/1054670452.db2.gz VBPFYRHTOKYFOC-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1c2ccccc2sc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235168842 1054670460 /nfs/dbraw/zinc/67/04/60/1054670460.db2.gz VBPFYRHTOKYFOC-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP Fc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001235167098 1054670736 /nfs/dbraw/zinc/67/07/36/1054670736.db2.gz FNMNGFLLLNCXSX-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001235167098 1054670740 /nfs/dbraw/zinc/67/07/40/1054670740.db2.gz FNMNGFLLLNCXSX-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000180404826 1054754653 /nfs/dbraw/zinc/75/46/53/1054754653.db2.gz WJBXQYTWOWCWMY-CQSZACIVSA-N 2 2 324.896 4.262 20 0 DIADLP FC(F)(F)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000623787107 1054763296 /nfs/dbraw/zinc/76/32/96/1054763296.db2.gz ZJCWPVYNODXSOT-UHFFFAOYSA-N 2 2 323.362 4.085 20 0 DIADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891418 1054832320 /nfs/dbraw/zinc/83/23/20/1054832320.db2.gz IFORZDILISWURS-DZGCQCFKSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891418 1054832328 /nfs/dbraw/zinc/83/23/28/1054832328.db2.gz IFORZDILISWURS-DZGCQCFKSA-N 2 2 310.466 4.366 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235891983 1054833397 /nfs/dbraw/zinc/83/33/97/1054833397.db2.gz JDYHUVBQTUWNEV-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235891983 1054833409 /nfs/dbraw/zinc/83/34/09/1054833409.db2.gz JDYHUVBQTUWNEV-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235907456 1054844818 /nfs/dbraw/zinc/84/48/18/1054844818.db2.gz QEJMLWAMCQCBOE-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235907456 1054844828 /nfs/dbraw/zinc/84/48/28/1054844828.db2.gz QEJMLWAMCQCBOE-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235907459 1054845241 /nfs/dbraw/zinc/84/52/41/1054845241.db2.gz QEJMLWAMCQCBOE-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235907459 1054845249 /nfs/dbraw/zinc/84/52/49/1054845249.db2.gz QEJMLWAMCQCBOE-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)[N@H+](CC[NH3+])Cc1ccccc1-c1ccccc1Cl ZINC001235948428 1054864720 /nfs/dbraw/zinc/86/47/20/1054864720.db2.gz VPECCLUEFXXVIX-UHFFFAOYSA-N 2 2 302.849 4.176 20 0 DIADLP CC(C)[N@@H+](CC[NH3+])Cc1ccccc1-c1ccccc1Cl ZINC001235948428 1054864731 /nfs/dbraw/zinc/86/47/31/1054864731.db2.gz VPECCLUEFXXVIX-UHFFFAOYSA-N 2 2 302.849 4.176 20 0 DIADLP Cn1ccc2c1cc[nH+]c2-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236003203 1054889341 /nfs/dbraw/zinc/88/93/41/1054889341.db2.gz TZKRHMATQYGVFD-UHFFFAOYSA-N 2 2 323.415 4.365 20 0 DIADLP CC[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236007994 1054895046 /nfs/dbraw/zinc/89/50/46/1054895046.db2.gz OYTZFYGVEXSEHT-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP CC[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236007994 1054895055 /nfs/dbraw/zinc/89/50/55/1054895055.db2.gz OYTZFYGVEXSEHT-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP Cc1cn2c(cccc2-c2cccc(C[NH+]3CCCCC3)c2F)[nH+]1 ZINC001236012975 1054897658 /nfs/dbraw/zinc/89/76/58/1054897658.db2.gz WFGOODBONGJVLS-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236051867 1054915757 /nfs/dbraw/zinc/91/57/57/1054915757.db2.gz OALSYUIMDHDEEH-MGPUTAFESA-N 2 2 308.469 4.140 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236051867 1054915768 /nfs/dbraw/zinc/91/57/68/1054915768.db2.gz OALSYUIMDHDEEH-MGPUTAFESA-N 2 2 308.469 4.140 20 0 DIADLP Clc1ccc(SC2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236095625 1054941465 /nfs/dbraw/zinc/94/14/65/1054941465.db2.gz KVKQCEKDERVBAH-OAHLLOKOSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000181909135 1054946329 /nfs/dbraw/zinc/94/63/29/1054946329.db2.gz IARULMFAPCWEBC-INIZCTEOSA-N 2 2 309.816 4.053 20 0 DIADLP C[N@@H+](Cc1cccc2c3ccccc3sc21)C[C@@H]1CCC[NH2+]1 ZINC001236118945 1054957061 /nfs/dbraw/zinc/95/70/61/1054957061.db2.gz OTXRXSKBKQROOD-HNNXBMFYSA-N 2 2 310.466 4.238 20 0 DIADLP C[N@H+](Cc1cccc2c3ccccc3sc21)C[C@@H]1CCC[NH2+]1 ZINC001236118945 1054957076 /nfs/dbraw/zinc/95/70/76/1054957076.db2.gz OTXRXSKBKQROOD-HNNXBMFYSA-N 2 2 310.466 4.238 20 0 DIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000182582989 1054997825 /nfs/dbraw/zinc/99/78/25/1054997825.db2.gz BTFSPYKJDCTUGI-IBGZPJMESA-N 2 2 321.399 4.179 20 0 DIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000182582968 1054998529 /nfs/dbraw/zinc/99/85/29/1054998529.db2.gz BTFSPYKJDCTUGI-LJQANCHMSA-N 2 2 321.399 4.179 20 0 DIADLP C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@]1(C)CCC[NH2+]C1 ZINC001236204717 1054999350 /nfs/dbraw/zinc/99/93/50/1054999350.db2.gz APKMFXNMRDGOLL-HXUWFJFHSA-N 2 2 313.489 4.039 20 0 DIADLP C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@]1(C)CCC[NH2+]C1 ZINC001236204717 1054999362 /nfs/dbraw/zinc/99/93/62/1054999362.db2.gz APKMFXNMRDGOLL-HXUWFJFHSA-N 2 2 313.489 4.039 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218666 1055009618 /nfs/dbraw/zinc/00/96/18/1055009618.db2.gz STPZPFXNNJXLLM-UXHICEINSA-N 2 2 324.468 4.064 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218666 1055009633 /nfs/dbraw/zinc/00/96/33/1055009633.db2.gz STPZPFXNNJXLLM-UXHICEINSA-N 2 2 324.468 4.064 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182813003 1055012371 /nfs/dbraw/zinc/01/23/71/1055012371.db2.gz WCCOSLBYHGMCJJ-CABCVRRESA-N 2 2 305.853 4.051 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182813003 1055012383 /nfs/dbraw/zinc/01/23/83/1055012383.db2.gz WCCOSLBYHGMCJJ-CABCVRRESA-N 2 2 305.853 4.051 20 0 DIADLP c1ccc2c(c1)oc1c2cccc1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236240034 1055027616 /nfs/dbraw/zinc/02/76/16/1055027616.db2.gz OACNPJKRQLMGCM-QGZVFWFLSA-N 2 2 320.436 4.302 20 0 DIADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236240034 1055027630 /nfs/dbraw/zinc/02/76/30/1055027630.db2.gz OACNPJKRQLMGCM-QGZVFWFLSA-N 2 2 320.436 4.302 20 0 DIADLP Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cn2cc[nH+]c12 ZINC001236249699 1055034061 /nfs/dbraw/zinc/03/40/61/1055034061.db2.gz ZUSAZCDSNRPRHR-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2cccc(C(=[NH2+])OC)c2)c1 ZINC001236326649 1055059465 /nfs/dbraw/zinc/05/94/65/1055059465.db2.gz FHZZKGOHNKEENR-UHFFFAOYSA-N 2 2 314.404 4.306 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001236447199 1055117559 /nfs/dbraw/zinc/11/75/59/1055117559.db2.gz KEZUHLUKFAIAPT-UHFFFAOYSA-N 2 2 319.452 4.500 20 0 DIADLP CC(C)C[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236474880 1055133308 /nfs/dbraw/zinc/13/33/08/1055133308.db2.gz SCKDANRRBBOCNH-QGZVFWFLSA-N 2 2 319.880 4.031 20 0 DIADLP CC(C)C[N@@H+](Cc1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236474880 1055133313 /nfs/dbraw/zinc/13/33/13/1055133313.db2.gz SCKDANRRBBOCNH-QGZVFWFLSA-N 2 2 319.880 4.031 20 0 DIADLP CC(C)[N@H+](Cc1cccc2sccc21)C1CC[NH+](C)CC1 ZINC001236684856 1055229909 /nfs/dbraw/zinc/22/99/09/1055229909.db2.gz YDNYPRZJMMYMHX-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP CC(C)[N@@H+](Cc1cccc2sccc21)C1CC[NH+](C)CC1 ZINC001236684856 1055229920 /nfs/dbraw/zinc/22/99/20/1055229920.db2.gz YDNYPRZJMMYMHX-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(C)c2Cl)CC1 ZINC001236857434 1055292693 /nfs/dbraw/zinc/29/26/93/1055292693.db2.gz XFAPZCJZXJSKKR-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2Cl)CC1 ZINC001236857434 1055292705 /nfs/dbraw/zinc/29/27/05/1055292705.db2.gz XFAPZCJZXJSKKR-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001236857610 1055294983 /nfs/dbraw/zinc/29/49/83/1055294983.db2.gz ZMRPZIQONYQDDC-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001236857610 1055294996 /nfs/dbraw/zinc/29/49/96/1055294996.db2.gz ZMRPZIQONYQDDC-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC001236913479 1055309377 /nfs/dbraw/zinc/30/93/77/1055309377.db2.gz GNHIUHNRWHDCTP-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC001236913479 1055309393 /nfs/dbraw/zinc/30/93/93/1055309393.db2.gz GNHIUHNRWHDCTP-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236911148 1055310604 /nfs/dbraw/zinc/31/06/04/1055310604.db2.gz IQXILUHQVNHAJB-OKILXGFUSA-N 2 2 303.837 4.004 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236911148 1055310620 /nfs/dbraw/zinc/31/06/20/1055310620.db2.gz IQXILUHQVNHAJB-OKILXGFUSA-N 2 2 303.837 4.004 20 0 DIADLP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907258 1055310980 /nfs/dbraw/zinc/31/09/80/1055310980.db2.gz AUMAMTFHTQBAKM-MRXNPFEDSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907258 1055310994 /nfs/dbraw/zinc/31/09/94/1055310994.db2.gz AUMAMTFHTQBAKM-MRXNPFEDSA-N 2 2 303.837 4.146 20 0 DIADLP Clc1cc(C[N@@H+]2CCC23CCCC3)ccc1-n1cc[nH+]c1 ZINC001236906815 1055311444 /nfs/dbraw/zinc/31/14/44/1055311444.db2.gz NLCRKJQHAPPORR-UHFFFAOYSA-N 2 2 301.821 4.044 20 0 DIADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236909872 1055312731 /nfs/dbraw/zinc/31/27/31/1055312731.db2.gz YWFKTFNYRKMKHC-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236909872 1055312748 /nfs/dbraw/zinc/31/27/48/1055312748.db2.gz YWFKTFNYRKMKHC-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906149 1055312779 /nfs/dbraw/zinc/31/27/79/1055312779.db2.gz IGIAGLXCRLYFJO-HZPDHXFCSA-N 2 2 315.848 4.148 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CCCC1 ZINC001236911402 1055313543 /nfs/dbraw/zinc/31/35/43/1055313543.db2.gz JFKDSZQEFAWULX-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CCCC1 ZINC001236911402 1055313558 /nfs/dbraw/zinc/31/35/58/1055313558.db2.gz JFKDSZQEFAWULX-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(C[NH+]2CC3CCC(CC3)C2)ccc1-n1cc[nH+]c1 ZINC001236910073 1055313842 /nfs/dbraw/zinc/31/38/42/1055313842.db2.gz BWRCVSJLSTURDY-UHFFFAOYSA-N 2 2 315.848 4.148 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@@H]1CC1(C)C ZINC001236912875 1055314116 /nfs/dbraw/zinc/31/41/16/1055314116.db2.gz YGGWIPJBSHVJFH-AWEZNQCLSA-N 2 2 303.837 4.004 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@@H]1CC1(C)C ZINC001236912875 1055314131 /nfs/dbraw/zinc/31/41/31/1055314131.db2.gz YGGWIPJBSHVJFH-AWEZNQCLSA-N 2 2 303.837 4.004 20 0 DIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915946 1055318754 /nfs/dbraw/zinc/31/87/54/1055318754.db2.gz JDVLDRZPHJQTRB-ZIAGYGMSSA-N 2 2 303.837 4.004 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1F ZINC000765252945 1055345409 /nfs/dbraw/zinc/34/54/09/1055345409.db2.gz UBOWHFBCRGUMIU-SJORKVTESA-N 2 2 321.415 4.317 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(s1)CCC2 ZINC000765248567 1055345652 /nfs/dbraw/zinc/34/56/52/1055345652.db2.gz FQCDLNZCUJPGIK-GUYCJALGSA-N 2 2 317.502 4.199 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000765252914 1055345991 /nfs/dbraw/zinc/34/59/91/1055345991.db2.gz TUNQUDKXJUSMNB-DLBZAZTESA-N 2 2 317.864 4.228 20 0 DIADLP CC(C)[N@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC001237109283 1055375282 /nfs/dbraw/zinc/37/52/82/1055375282.db2.gz YUKRCKZNGOZFQB-UHFFFAOYSA-N 2 2 300.490 4.259 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC001237109283 1055375296 /nfs/dbraw/zinc/37/52/96/1055375296.db2.gz YUKRCKZNGOZFQB-UHFFFAOYSA-N 2 2 300.490 4.259 20 0 DIADLP [NH3+]Cc1ccc(C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001237263324 1055410502 /nfs/dbraw/zinc/41/05/02/1055410502.db2.gz CEYVJBXDCKPMAI-UHFFFAOYSA-N 2 2 321.251 4.010 20 0 DIADLP [NH3+]Cc1ccc(C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001237263324 1055410505 /nfs/dbraw/zinc/41/05/05/1055410505.db2.gz CEYVJBXDCKPMAI-UHFFFAOYSA-N 2 2 321.251 4.010 20 0 DIADLP Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)o1 ZINC001237360210 1055439965 /nfs/dbraw/zinc/43/99/65/1055439965.db2.gz VIMXQUSKJYKVKZ-MRXNPFEDSA-N 2 2 324.468 4.176 20 0 DIADLP Fc1cccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)cccc12 ZINC001237521321 1055467494 /nfs/dbraw/zinc/46/74/94/1055467494.db2.gz JWNNGCBYDBULHW-UHFFFAOYSA-N 2 2 312.432 4.039 20 0 DIADLP Cc1cc(C)c(Cl)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001237705302 1055509999 /nfs/dbraw/zinc/50/99/99/1055509999.db2.gz LSURGQSZVLLISI-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP Cc1cc(C)c(Cl)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001237705302 1055510010 /nfs/dbraw/zinc/51/00/10/1055510010.db2.gz LSURGQSZVLLISI-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP C[C@@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C ZINC001620902844 1055527765 /nfs/dbraw/zinc/52/77/65/1055527765.db2.gz VIGSLFLLIPPIDV-AWEZNQCLSA-N 2 2 305.491 4.486 20 0 DIADLP Cc1cc[nH+]c2cc(N3C[C@@H](CC[NH3+])c4ccccc43)ccc12 ZINC001168550002 1055535868 /nfs/dbraw/zinc/53/58/68/1055535868.db2.gz RLGQZKRIOKEXSR-OAHLLOKOSA-N 2 2 303.409 4.127 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)Cc3ccccc3F)cc21 ZINC001237880132 1055546642 /nfs/dbraw/zinc/54/66/42/1055546642.db2.gz FOQXAIGOUICENI-UHFFFAOYSA-N 2 2 324.443 4.459 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)Cc3ccccc3F)cc21 ZINC001237880132 1055546657 /nfs/dbraw/zinc/54/66/57/1055546657.db2.gz FOQXAIGOUICENI-UHFFFAOYSA-N 2 2 324.443 4.459 20 0 DIADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc2c[nH+]cn21 ZINC001238105103 1055610028 /nfs/dbraw/zinc/61/00/28/1055610028.db2.gz CFZNSANLATUADF-UHFFFAOYSA-N 2 2 320.223 4.273 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc2c[nH+]cn21 ZINC001238105103 1055610033 /nfs/dbraw/zinc/61/00/33/1055610033.db2.gz CFZNSANLATUADF-UHFFFAOYSA-N 2 2 320.223 4.273 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(C(C)C)c1 ZINC001238225194 1055625720 /nfs/dbraw/zinc/62/57/20/1055625720.db2.gz JPVKZCJWGZPENT-UHFFFAOYSA-N 2 2 305.853 4.182 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(C(C)C)c1 ZINC001238225194 1055625734 /nfs/dbraw/zinc/62/57/34/1055625734.db2.gz JPVKZCJWGZPENT-UHFFFAOYSA-N 2 2 305.853 4.182 20 0 DIADLP CC[N@H+](Cc1cc(Cl)c(Cl)cc1C)C1CC[NH+](C)CC1 ZINC001238260858 1055631795 /nfs/dbraw/zinc/63/17/95/1055631795.db2.gz WCSKHNHHVOZCLC-UHFFFAOYSA-N 2 2 315.288 4.218 20 0 DIADLP CC[N@@H+](Cc1cc(Cl)c(Cl)cc1C)C1CC[NH+](C)CC1 ZINC001238260858 1055631798 /nfs/dbraw/zinc/63/17/98/1055631798.db2.gz WCSKHNHHVOZCLC-UHFFFAOYSA-N 2 2 315.288 4.218 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(F)c(-c3ccccc3)c2)CC1 ZINC001238561821 1055686435 /nfs/dbraw/zinc/68/64/35/1055686435.db2.gz QMMDFCYAEIWNSN-UHFFFAOYSA-N 2 2 312.432 4.019 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4ccccc43)c2)C1 ZINC001239471470 1055896810 /nfs/dbraw/zinc/89/68/10/1055896810.db2.gz LJQKUEYALHRESA-LJQANCHMSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4ccccc43)c2)C1 ZINC001239471470 1055896815 /nfs/dbraw/zinc/89/68/15/1055896815.db2.gz LJQKUEYALHRESA-LJQANCHMSA-N 2 2 302.421 4.040 20 0 DIADLP CC(C)Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001620757772 1055930775 /nfs/dbraw/zinc/93/07/75/1055930775.db2.gz DZSBCRABNUYKSX-UHFFFAOYSA-N 2 2 319.452 4.361 20 0 DIADLP CC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001620759925 1055932247 /nfs/dbraw/zinc/93/22/47/1055932247.db2.gz NOFRWWGHPBEIKA-HNNXBMFYSA-N 2 2 311.454 4.217 20 0 DIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001620767665 1055936450 /nfs/dbraw/zinc/93/64/50/1055936450.db2.gz CCZZKCUNQIUAFO-SFHVURJKSA-N 2 2 309.438 4.019 20 0 DIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001620767664 1055936680 /nfs/dbraw/zinc/93/66/80/1055936680.db2.gz CCZZKCUNQIUAFO-GOSISDBHSA-N 2 2 309.438 4.019 20 0 DIADLP CC1(C)CC([NH2+]CCCCNc2cccc[nH+]2)CC(C)(C)C1 ZINC001620768162 1055938701 /nfs/dbraw/zinc/93/87/01/1055938701.db2.gz BBPOYJXOUNJOGX-UHFFFAOYSA-N 2 2 303.494 4.468 20 0 DIADLP CCCC1CCC(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC001649084894 1055945328 /nfs/dbraw/zinc/94/53/28/1055945328.db2.gz RHPZNRBMUOFMHZ-UHFFFAOYSA-N 2 2 303.494 4.470 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001620784286 1055957393 /nfs/dbraw/zinc/95/73/93/1055957393.db2.gz BOCXJGHHXTUNAP-UXHICEINSA-N 2 2 302.506 4.424 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001620784286 1055957401 /nfs/dbraw/zinc/95/74/01/1055957401.db2.gz BOCXJGHHXTUNAP-UXHICEINSA-N 2 2 302.506 4.424 20 0 DIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1Cl ZINC001621008107 1055974124 /nfs/dbraw/zinc/97/41/24/1055974124.db2.gz YPJODHPEXGOALH-KRWDZBQOSA-N 2 2 306.881 4.145 20 0 DIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)ccc1Cl ZINC001621008107 1055974131 /nfs/dbraw/zinc/97/41/31/1055974131.db2.gz YPJODHPEXGOALH-KRWDZBQOSA-N 2 2 306.881 4.145 20 0 DIADLP CC1(C)C[C@H]([NH2+]CCCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC001621009158 1055976042 /nfs/dbraw/zinc/97/60/42/1055976042.db2.gz TVJLFWXCEKECBL-IBGZPJMESA-N 2 2 300.490 4.209 20 0 DIADLP CC1(C)C[C@H]([NH2+]CCCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC001621009158 1055976057 /nfs/dbraw/zinc/97/60/57/1055976057.db2.gz TVJLFWXCEKECBL-IBGZPJMESA-N 2 2 300.490 4.209 20 0 DIADLP CC(C)(C)c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239607177 1055976170 /nfs/dbraw/zinc/97/61/70/1055976170.db2.gz WERBNVDRDZGLCR-IBGZPJMESA-N 2 2 308.469 4.184 20 0 DIADLP CC(C)(C)c1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239607177 1055976184 /nfs/dbraw/zinc/97/61/84/1055976184.db2.gz WERBNVDRDZGLCR-IBGZPJMESA-N 2 2 308.469 4.184 20 0 DIADLP Clc1csc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001621045950 1056006170 /nfs/dbraw/zinc/00/61/70/1056006170.db2.gz NDPGFTLGRQFBQB-INIZCTEOSA-N 2 2 317.845 4.129 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C1CCC(C(F)(F)F)CC1 ZINC000474460879 1056313842 /nfs/dbraw/zinc/31/38/42/1056313842.db2.gz NPCDTSQZSIRDBY-QRNKSROTSA-N 2 2 320.443 4.208 20 0 DIADLP Cc1cn2cc(-c3cccc(C[NH+]4CCCCC4)c3)ccc2[nH+]1 ZINC001240168847 1056362269 /nfs/dbraw/zinc/36/22/69/1056362269.db2.gz IYOQUJACQNFPQB-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP Fc1ccc(-c2ccn3cc[nH+]c3c2)cc1C[NH+]1CCCCC1 ZINC001240518779 1056548769 /nfs/dbraw/zinc/54/87/69/1056548769.db2.gz VBRYRIOYUDCKKR-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3ccccc3c2)C1 ZINC001240910954 1056755124 /nfs/dbraw/zinc/75/51/24/1056755124.db2.gz LWJLNRTYSFIIRE-HXUWFJFHSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ccccc3c2)C1 ZINC001240910954 1056755127 /nfs/dbraw/zinc/75/51/27/1056755127.db2.gz LWJLNRTYSFIIRE-HXUWFJFHSA-N 2 2 302.421 4.040 20 0 DIADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001241251404 1056980523 /nfs/dbraw/zinc/98/05/23/1056980523.db2.gz VPJGGKFMCQNEPD-UHFFFAOYSA-N 2 2 302.381 4.153 20 0 DIADLP CCCCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241269499 1056989322 /nfs/dbraw/zinc/98/93/22/1056989322.db2.gz SEYRJXNAPZCZSE-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241269499 1056989326 /nfs/dbraw/zinc/98/93/26/1056989326.db2.gz SEYRJXNAPZCZSE-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001241269344 1056989610 /nfs/dbraw/zinc/98/96/10/1056989610.db2.gz KZRAHOJWDXPWMV-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001241269344 1056989611 /nfs/dbraw/zinc/98/96/11/1056989611.db2.gz KZRAHOJWDXPWMV-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP Cc1cn2c(cccc2-c2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC001241388925 1057035654 /nfs/dbraw/zinc/03/56/54/1057035654.db2.gz TVFIPUGXFJUZRQ-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000347741031 1057063167 /nfs/dbraw/zinc/06/31/67/1057063167.db2.gz WNAIIZLKGRJYPF-LJQANCHMSA-N 2 2 311.473 4.097 20 0 DIADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000347741031 1057063172 /nfs/dbraw/zinc/06/31/72/1057063172.db2.gz WNAIIZLKGRJYPF-LJQANCHMSA-N 2 2 311.473 4.097 20 0 DIADLP Cc1scc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000631081685 1057100814 /nfs/dbraw/zinc/10/08/14/1057100814.db2.gz VAGRNWAAQYGKPU-AWEZNQCLSA-N 2 2 311.454 4.401 20 0 DIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCCC1 ZINC000674049197 1057191006 /nfs/dbraw/zinc/19/10/06/1057191006.db2.gz KMAYEWQGWKBWQK-LPHOPBHVSA-N 2 2 311.473 4.262 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)c4ccccc43)c2)C1 ZINC001241903730 1057206239 /nfs/dbraw/zinc/20/62/39/1057206239.db2.gz NJJGXEPMJFIWIW-QGZVFWFLSA-N 2 2 320.411 4.179 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)c4ccccc43)c2)C1 ZINC001241903730 1057206242 /nfs/dbraw/zinc/20/62/42/1057206242.db2.gz NJJGXEPMJFIWIW-QGZVFWFLSA-N 2 2 320.411 4.179 20 0 DIADLP Cc1cc(-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cc(C)[nH+]1 ZINC001241992758 1057232281 /nfs/dbraw/zinc/23/22/81/1057232281.db2.gz YRJQFZCOERWXTN-UHFFFAOYSA-N 2 2 319.452 4.485 20 0 DIADLP c1cn(Cc2ccccc2-c2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001242122956 1057269914 /nfs/dbraw/zinc/26/99/14/1057269914.db2.gz SCIYXLATBSPZKC-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675919905 1057430650 /nfs/dbraw/zinc/43/06/50/1057430650.db2.gz PKERIMQRGOKSEP-XLIONFOSSA-N 2 2 319.452 4.363 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920463 1057430777 /nfs/dbraw/zinc/43/07/77/1057430777.db2.gz RLXYTIZBWKWPNF-XLIONFOSSA-N 2 2 319.452 4.363 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000675921636 1057430817 /nfs/dbraw/zinc/43/08/17/1057430817.db2.gz ZDUHOZCTYKNEEC-BEFAXECRSA-N 2 2 323.415 4.194 20 0 DIADLP Cn1c[nH+]cc1-c1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC001242693170 1057449442 /nfs/dbraw/zinc/44/94/42/1057449442.db2.gz JRXMBHKRKZZJIF-IBGZPJMESA-N 2 2 307.441 4.119 20 0 DIADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000676253224 1057460479 /nfs/dbraw/zinc/46/04/79/1057460479.db2.gz ZQQDOYPWQGSMBO-IAGOWNOFSA-N 2 2 306.519 4.020 20 0 DIADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000676253224 1057460486 /nfs/dbraw/zinc/46/04/86/1057460486.db2.gz ZQQDOYPWQGSMBO-IAGOWNOFSA-N 2 2 306.519 4.020 20 0 DIADLP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000168204621 1057688968 /nfs/dbraw/zinc/68/89/68/1057688968.db2.gz HBNXZPHWELXAFY-QWHCGFSZSA-N 2 2 324.428 4.197 20 0 DIADLP C[N@@H+]1CC[C@@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC001243659694 1057746923 /nfs/dbraw/zinc/74/69/23/1057746923.db2.gz AEOQLZOGEZLXBV-OAQYLSRUSA-N 2 2 317.436 4.018 20 0 DIADLP C[N@H+]1CC[C@@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC001243659694 1057746926 /nfs/dbraw/zinc/74/69/26/1057746926.db2.gz AEOQLZOGEZLXBV-OAQYLSRUSA-N 2 2 317.436 4.018 20 0 DIADLP Cc1c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cccc1C1CC1 ZINC001244131808 1057881123 /nfs/dbraw/zinc/88/11/23/1057881123.db2.gz FRFFNKROGKSXSJ-LJQANCHMSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cccc1C1CC1 ZINC001244131808 1057881129 /nfs/dbraw/zinc/88/11/29/1057881129.db2.gz FRFFNKROGKSXSJ-LJQANCHMSA-N 2 2 306.453 4.072 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(C4CCC4)cc3)c2)C1 ZINC001244944461 1058077626 /nfs/dbraw/zinc/07/76/26/1058077626.db2.gz OWNNTHMBVQVBSN-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C4CCC4)cc3)c2)C1 ZINC001244944461 1058077631 /nfs/dbraw/zinc/07/76/31/1058077631.db2.gz OWNNTHMBVQVBSN-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP Fc1cc(-c2c[nH+]cn2Cc2ccccc2)ccc1[C@@H]1CCC[NH2+]1 ZINC001245198316 1058126779 /nfs/dbraw/zinc/12/67/79/1058126779.db2.gz AIZVODSQBJGLOM-IBGZPJMESA-N 2 2 321.399 4.162 20 0 DIADLP C[N@@H+]1CC[C@@H](c2ccc(-c3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC001245200055 1058127051 /nfs/dbraw/zinc/12/70/51/1058127051.db2.gz DILOXBXPSNZGIE-HXUWFJFHSA-N 2 2 317.436 4.018 20 0 DIADLP C[N@H+]1CC[C@@H](c2ccc(-c3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC001245200055 1058127054 /nfs/dbraw/zinc/12/70/54/1058127054.db2.gz DILOXBXPSNZGIE-HXUWFJFHSA-N 2 2 317.436 4.018 20 0 DIADLP Fc1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)cc1-n1cc[nH+]c1 ZINC001245525982 1058201500 /nfs/dbraw/zinc/20/15/00/1058201500.db2.gz GYUBXBVZUXRAMC-UHFFFAOYSA-N 2 2 321.399 4.145 20 0 DIADLP Cc1cc(-c2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c[nH+]c1N ZINC001245539002 1058219349 /nfs/dbraw/zinc/21/93/49/1058219349.db2.gz CIHRIFWJHYTYNR-UHFFFAOYSA-N 2 2 315.420 4.155 20 0 DIADLP Cc1cc(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c[nH+]c1N ZINC001245539002 1058219358 /nfs/dbraw/zinc/21/93/58/1058219358.db2.gz CIHRIFWJHYTYNR-UHFFFAOYSA-N 2 2 315.420 4.155 20 0 DIADLP Cc1c(C)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1Cl ZINC001245690497 1058355249 /nfs/dbraw/zinc/35/52/49/1058355249.db2.gz SGJWTGXHTNUSTL-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1Cl ZINC001245690497 1058355269 /nfs/dbraw/zinc/35/52/69/1058355269.db2.gz SGJWTGXHTNUSTL-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1Cl ZINC001245690499 1058355995 /nfs/dbraw/zinc/35/59/95/1058355995.db2.gz SGJWTGXHTNUSTL-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1Cl ZINC001245690499 1058356009 /nfs/dbraw/zinc/35/60/09/1058356009.db2.gz SGJWTGXHTNUSTL-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP [NH3+]C[C@H]([NH2+]C1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC001246077220 1058666023 /nfs/dbraw/zinc/66/60/23/1058666023.db2.gz QWDHTDXTBSDLOP-MNLRITNHSA-N 2 2 308.469 4.078 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246078812 1058670205 /nfs/dbraw/zinc/67/02/05/1058670205.db2.gz XDCBUTWSWGPACC-SUMWQHHRSA-N 2 2 320.889 4.110 20 0 DIADLP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246078086 1058670845 /nfs/dbraw/zinc/67/08/45/1058670845.db2.gz GDAXGKCPDZSQLE-ZWKOTPCHSA-N 2 2 318.823 4.062 20 0 DIADLP [NH3+]C[C@@H]([NH2+]C1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC001246078090 1058670861 /nfs/dbraw/zinc/67/08/61/1058670861.db2.gz GHYUGUKBEOHQPD-NJEKYYFSSA-N 2 2 320.480 4.103 20 0 DIADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246141097 1058695217 /nfs/dbraw/zinc/69/52/17/1058695217.db2.gz KAIGLIJMQWSQQW-BDTNDASRSA-N 2 2 322.496 4.337 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001246142302 1058695310 /nfs/dbraw/zinc/69/53/10/1058695310.db2.gz NGDFXBYYELLQOR-UIFIKXQLSA-N 2 2 308.469 4.009 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001246142312 1058696421 /nfs/dbraw/zinc/69/64/21/1058696421.db2.gz NGDFXBYYELLQOR-WMQCIHAUSA-N 2 2 308.469 4.009 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246160436 1058703579 /nfs/dbraw/zinc/70/35/79/1058703579.db2.gz MXQXTJRYYZBHEN-CQSZACIVSA-N 2 2 324.871 4.332 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(C)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246161549 1058705499 /nfs/dbraw/zinc/70/54/99/1058705499.db2.gz ZWIAHEYDRYGKLO-WDNDVIMCSA-N 2 2 312.860 4.186 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246164244 1058710235 /nfs/dbraw/zinc/71/02/35/1058710235.db2.gz ULNKKJGTPQTVQE-KGLIPLIRSA-N 2 2 312.860 4.188 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2cc(Cl)ccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246170472 1058712184 /nfs/dbraw/zinc/71/21/84/1058712184.db2.gz KPXHJGSJPGWVDU-KBPBESRZSA-N 2 2 315.288 4.392 20 0 DIADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170793 1058713872 /nfs/dbraw/zinc/71/38/72/1058713872.db2.gz NBMJYQADIHIBEJ-SJLPKXTDSA-N 2 2 318.823 4.062 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246175211 1058719028 /nfs/dbraw/zinc/71/90/28/1058719028.db2.gz IJJDCGDPBWVZMI-UONOGXRCSA-N 2 2 315.288 4.394 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C[C@H](CC)[NH2+]1 ZINC001246179693 1058723119 /nfs/dbraw/zinc/72/31/19/1058723119.db2.gz RHYQMVDEFRIPIN-PLACYPQZSA-N 2 2 323.484 4.070 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246179135 1058724234 /nfs/dbraw/zinc/72/42/34/1058724234.db2.gz DBBGXVYUZUUWSD-CABCVRRESA-N 2 2 315.288 4.394 20 0 DIADLP CCCCCC[C@@H](CC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246189277 1058730243 /nfs/dbraw/zinc/73/02/43/1058730243.db2.gz INWQLPSZUBFWMV-HUUCEWRRSA-N 2 2 308.432 4.256 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246209192 1058743692 /nfs/dbraw/zinc/74/36/92/1058743692.db2.gz GALACUAQQRDASZ-CABCVRRESA-N 2 2 306.881 4.230 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@H](CC)[NH2+]1 ZINC001246224757 1058751145 /nfs/dbraw/zinc/75/11/45/1058751145.db2.gz IWRNYVMUAHMRSN-ITGUQSILSA-N 2 2 316.823 4.017 20 0 DIADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246252272 1058772095 /nfs/dbraw/zinc/77/20/95/1058772095.db2.gz HFNWFIXMSONFRQ-SLEUVZQESA-N 2 2 315.288 4.421 20 0 DIADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246252275 1058772367 /nfs/dbraw/zinc/77/23/67/1058772367.db2.gz HFNWFIXMSONFRQ-ZOWXZIJZSA-N 2 2 315.288 4.421 20 0 DIADLP C[C@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)c1c(Cl)cccc1Cl ZINC001246255230 1058773473 /nfs/dbraw/zinc/77/34/73/1058773473.db2.gz UNZMIEOVUDHCQI-MXWKQRLJSA-N 2 2 301.261 4.173 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2Cl)CC[NH2+]1 ZINC001246298327 1058809635 /nfs/dbraw/zinc/80/96/35/1058809635.db2.gz XHKWAHOWLNSYLC-IHRRRGAJSA-N 2 2 312.860 4.441 20 0 DIADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccn1 ZINC001246327178 1058837474 /nfs/dbraw/zinc/83/74/74/1058837474.db2.gz RCTVKGPQGOOHGK-GIVPXCGWSA-N 2 2 323.484 4.252 20 0 DIADLP Clc1cc(Cl)c(Cl)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246341201 1058845780 /nfs/dbraw/zinc/84/57/80/1058845780.db2.gz HQQAQPPNMUXQEH-GDNZZTSVSA-N 2 2 319.663 4.019 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246342320 1058851991 /nfs/dbraw/zinc/85/19/91/1058851991.db2.gz HFHMMRGFCYCUON-HKUYNNGSSA-N 2 2 314.860 4.231 20 0 DIADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC[NH2+]1 ZINC001246347444 1058855904 /nfs/dbraw/zinc/85/59/04/1058855904.db2.gz PPMGEGJRQKXPKU-NWDGAFQWSA-N 2 2 321.679 4.267 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(F)c1F ZINC001246380857 1058882074 /nfs/dbraw/zinc/88/20/74/1058882074.db2.gz YSUCFBQQWYLCLZ-SIIHOXLZSA-N 2 2 316.395 4.109 20 0 DIADLP Cc1cccc(C2([NH2+][C@H]3CC[C@H](C)[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246409978 1058911399 /nfs/dbraw/zinc/91/13/99/1058911399.db2.gz VQXPSPNDXJYNCQ-RDJZCZTQSA-N 2 2 322.443 4.130 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246461148 1058943737 /nfs/dbraw/zinc/94/37/37/1058943737.db2.gz WLYIORTVXBTMRD-IVSAIRAKSA-N 2 2 321.896 4.085 20 0 DIADLP CCCC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC001559071787 1058964908 /nfs/dbraw/zinc/96/49/08/1058964908.db2.gz ZYHYEDQHFZWTAJ-UHFFFAOYSA-N 2 2 318.509 4.400 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SC(F)(F)F)cc1 ZINC001246488220 1058965086 /nfs/dbraw/zinc/96/50/86/1058965086.db2.gz JGNLJVPPUWCETN-NQBHXWOUSA-N 2 2 318.408 4.090 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(SC(F)(F)F)cc1 ZINC001246490279 1058965648 /nfs/dbraw/zinc/96/56/48/1058965648.db2.gz OQDINMOQMQOWOF-DGCLKSJQSA-N 2 2 318.408 4.091 20 0 DIADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001246509476 1058977467 /nfs/dbraw/zinc/97/74/67/1058977467.db2.gz IBNTVWUVMJHDBJ-SLYNCCJLSA-N 2 2 324.468 4.011 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519567 1058981992 /nfs/dbraw/zinc/98/19/92/1058981992.db2.gz OFUOWUMPAAUFLE-UYAOXDASSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519567 1058982012 /nfs/dbraw/zinc/98/20/12/1058982012.db2.gz OFUOWUMPAAUFLE-UYAOXDASSA-N 2 2 312.432 4.059 20 0 DIADLP CC(C)c1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001559109635 1058996615 /nfs/dbraw/zinc/99/66/15/1058996615.db2.gz ZIQXEKKQEQKQGK-CQSZACIVSA-N 2 2 306.498 4.112 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246579083 1059012829 /nfs/dbraw/zinc/01/28/29/1059012829.db2.gz XWQFMQWQCPESKA-YTQUADARSA-N 2 2 322.443 4.141 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246579083 1059012850 /nfs/dbraw/zinc/01/28/50/1059012850.db2.gz XWQFMQWQCPESKA-YTQUADARSA-N 2 2 322.443 4.141 20 0 DIADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614386 1059028024 /nfs/dbraw/zinc/02/80/24/1059028024.db2.gz NZDWKTZAKZNNAF-HKUYNNGSSA-N 2 2 318.530 4.084 20 0 DIADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614386 1059028043 /nfs/dbraw/zinc/02/80/43/1059028043.db2.gz NZDWKTZAKZNNAF-HKUYNNGSSA-N 2 2 318.530 4.084 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246621491 1059032104 /nfs/dbraw/zinc/03/21/04/1059032104.db2.gz LQPBAYUVLKIKLS-WMLDXEAASA-N 2 2 324.921 4.039 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246621491 1059032120 /nfs/dbraw/zinc/03/21/20/1059032120.db2.gz LQPBAYUVLKIKLS-WMLDXEAASA-N 2 2 324.921 4.039 20 0 DIADLP FC(F)(F)CC[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278458341 1059032460 /nfs/dbraw/zinc/03/24/60/1059032460.db2.gz GARXKJCBZUBUEF-MRXNPFEDSA-N 2 2 318.427 4.059 20 0 DIADLP FC(F)(F)CC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278458341 1059032478 /nfs/dbraw/zinc/03/24/78/1059032478.db2.gz GARXKJCBZUBUEF-MRXNPFEDSA-N 2 2 318.427 4.059 20 0 DIADLP FC(F)(F)CC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001278458341 1059032498 /nfs/dbraw/zinc/03/24/98/1059032498.db2.gz GARXKJCBZUBUEF-MRXNPFEDSA-N 2 2 318.427 4.059 20 0 DIADLP FC(F)(F)CC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278458341 1059032523 /nfs/dbraw/zinc/03/25/23/1059032523.db2.gz GARXKJCBZUBUEF-MRXNPFEDSA-N 2 2 318.427 4.059 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246621898 1059033732 /nfs/dbraw/zinc/03/37/32/1059033732.db2.gz QDJKWZJEDJNITB-WMLDXEAASA-N 2 2 324.921 4.039 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246621898 1059033754 /nfs/dbraw/zinc/03/37/54/1059033754.db2.gz QDJKWZJEDJNITB-WMLDXEAASA-N 2 2 324.921 4.039 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246664640 1059060620 /nfs/dbraw/zinc/06/06/20/1059060620.db2.gz NSJYYNILRSVTMX-YHYVQYDKSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246664640 1059060640 /nfs/dbraw/zinc/06/06/40/1059060640.db2.gz NSJYYNILRSVTMX-YHYVQYDKSA-N 2 2 320.480 4.033 20 0 DIADLP C[N@H+](Cc1cccc(Cl)c1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246811535 1059107309 /nfs/dbraw/zinc/10/73/09/1059107309.db2.gz PCIWABNVAPMNFD-BTTYYORXSA-N 2 2 313.272 4.098 20 0 DIADLP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246811535 1059107325 /nfs/dbraw/zinc/10/73/25/1059107325.db2.gz PCIWABNVAPMNFD-BTTYYORXSA-N 2 2 313.272 4.098 20 0 DIADLP CC(C)c1cc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)nc(C(C)C)[nH+]1 ZINC001559236370 1059111555 /nfs/dbraw/zinc/11/15/55/1059111555.db2.gz GGLJEIXZJGMZIW-JKSUJKDBSA-N 2 2 316.493 4.008 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836274 1059115340 /nfs/dbraw/zinc/11/53/40/1059115340.db2.gz OCNSIMFLALGRFK-QZTJIDSGSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836274 1059115353 /nfs/dbraw/zinc/11/53/53/1059115353.db2.gz OCNSIMFLALGRFK-QZTJIDSGSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869965 1059142727 /nfs/dbraw/zinc/14/27/27/1059142727.db2.gz IYDNJLOQPPFZID-CVEARBPZSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869965 1059142742 /nfs/dbraw/zinc/14/27/42/1059142742.db2.gz IYDNJLOQPPFZID-CVEARBPZSA-N 2 2 306.881 4.009 20 0 DIADLP C[C@@H]1CC[C@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246877237 1059146485 /nfs/dbraw/zinc/14/64/85/1059146485.db2.gz AOGQLFABBIDUFT-HIFRSBDPSA-N 2 2 324.921 4.037 20 0 DIADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2[C@@H]1CCCC[NH2+]C1 ZINC001246881052 1059148895 /nfs/dbraw/zinc/14/88/95/1059148895.db2.gz XHTXNXNOIJGZNZ-YHYVQYDKSA-N 2 2 318.464 4.005 20 0 DIADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2[C@@H]1CCCC[NH2+]C1 ZINC001246881052 1059148905 /nfs/dbraw/zinc/14/89/05/1059148905.db2.gz XHTXNXNOIJGZNZ-YHYVQYDKSA-N 2 2 318.464 4.005 20 0 DIADLP Clc1ccc(SC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246883595 1059149790 /nfs/dbraw/zinc/14/97/90/1059149790.db2.gz XHYQXXVQLZIGTJ-OAHLLOKOSA-N 2 2 324.921 4.039 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902163 1059163853 /nfs/dbraw/zinc/16/38/53/1059163853.db2.gz QFPYAXQTCMZDRP-RKVPGOIHSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902163 1059163875 /nfs/dbraw/zinc/16/38/75/1059163875.db2.gz QFPYAXQTCMZDRP-RKVPGOIHSA-N 2 2 322.443 4.413 20 0 DIADLP CC[C@H]1C[C@H]([N@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911115 1059172104 /nfs/dbraw/zinc/17/21/04/1059172104.db2.gz NKQNTJJGENFMNR-LSDHHAIUSA-N 2 2 315.288 4.346 20 0 DIADLP CC[C@H]1C[C@H]([N@@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911115 1059172111 /nfs/dbraw/zinc/17/21/11/1059172111.db2.gz NKQNTJJGENFMNR-LSDHHAIUSA-N 2 2 315.288 4.346 20 0 DIADLP c1cc(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc2c1CCC2 ZINC001278481249 1059358312 /nfs/dbraw/zinc/35/83/12/1059358312.db2.gz ZMVGPLMNRVNBBP-UHFFFAOYSA-N 2 2 324.512 4.016 20 0 DIADLP c1cc(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc2c1CCC2 ZINC001278481249 1059358333 /nfs/dbraw/zinc/35/83/33/1059358333.db2.gz ZMVGPLMNRVNBBP-UHFFFAOYSA-N 2 2 324.512 4.016 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001559735468 1059567849 /nfs/dbraw/zinc/56/78/49/1059567849.db2.gz NPVZMFICFNBQSQ-FQEVSTJZSA-N 2 2 314.517 4.394 20 0 DIADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001559735468 1059567863 /nfs/dbraw/zinc/56/78/63/1059567863.db2.gz NPVZMFICFNBQSQ-FQEVSTJZSA-N 2 2 314.517 4.394 20 0 DIADLP CC(C)([NH2+]CCC[NH+]1CCCCC1)c1cccc(Cl)c1F ZINC001559778413 1059615743 /nfs/dbraw/zinc/61/57/43/1059615743.db2.gz QLNPUTINAVBULA-UHFFFAOYSA-N 2 2 312.860 4.180 20 0 DIADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117755 1059920274 /nfs/dbraw/zinc/92/02/74/1059920274.db2.gz GUWLIOIWVBOPEJ-LEWJYISDSA-N 2 2 312.501 4.403 20 0 DIADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117755 1059920295 /nfs/dbraw/zinc/92/02/95/1059920295.db2.gz GUWLIOIWVBOPEJ-LEWJYISDSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117755 1059920313 /nfs/dbraw/zinc/92/03/13/1059920313.db2.gz GUWLIOIWVBOPEJ-LEWJYISDSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117755 1059920330 /nfs/dbraw/zinc/92/03/30/1059920330.db2.gz GUWLIOIWVBOPEJ-LEWJYISDSA-N 2 2 312.501 4.403 20 0 DIADLP CN(c1ccc([NH2+]CC2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001560277533 1060052222 /nfs/dbraw/zinc/05/22/22/1060052222.db2.gz WRFRNKOBBYUFJG-UHFFFAOYSA-N 2 2 315.505 4.209 20 0 DIADLP CC[NH+]1CCN(c2ccc([NH2+]CC(C(C)C)C(C)C)cc2)CC1 ZINC001560279229 1060056074 /nfs/dbraw/zinc/05/60/74/1060056074.db2.gz JGRGDRPDTVIXFS-UHFFFAOYSA-N 2 2 317.521 4.169 20 0 DIADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Cl ZINC001560283963 1060060222 /nfs/dbraw/zinc/06/02/22/1060060222.db2.gz UJVFRDFEINLSNZ-MRXNPFEDSA-N 2 2 305.853 4.049 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001560290266 1060069922 /nfs/dbraw/zinc/06/99/22/1060069922.db2.gz QYKMASBZQKXJRJ-WBVHZDCISA-N 2 2 313.420 4.093 20 0 DIADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC001560302578 1060089277 /nfs/dbraw/zinc/08/92/77/1060089277.db2.gz CXQAGZYEFRCZKF-KRWDZBQOSA-N 2 2 303.475 4.382 20 0 DIADLP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001560318499 1060104298 /nfs/dbraw/zinc/10/42/98/1060104298.db2.gz PFBXDXHOVHCUAW-GJZGRUSLSA-N 2 2 303.475 4.238 20 0 DIADLP C[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560325673 1060112772 /nfs/dbraw/zinc/11/27/72/1060112772.db2.gz SCZRMTHHENLAET-BHIYHBOVSA-N 2 2 300.490 4.208 20 0 DIADLP C[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560325673 1060112779 /nfs/dbraw/zinc/11/27/79/1060112779.db2.gz SCZRMTHHENLAET-BHIYHBOVSA-N 2 2 300.490 4.208 20 0 DIADLP CC(C)C(C[NH2+]c1ccc(OCCC[NH+](C)C)cc1)C(C)C ZINC001560375814 1060163732 /nfs/dbraw/zinc/16/37/32/1060163732.db2.gz XPVHPPRQUNYLOW-UHFFFAOYSA-N 2 2 306.494 4.357 20 0 DIADLP CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001560529415 1060328489 /nfs/dbraw/zinc/32/84/89/1060328489.db2.gz DKQRDEQUNRERTB-LJQANCHMSA-N 2 2 323.415 4.122 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001560535041 1060341533 /nfs/dbraw/zinc/34/15/33/1060341533.db2.gz DSBJSRWWDBMXIN-QGZVFWFLSA-N 2 2 314.498 4.398 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001560535041 1060341554 /nfs/dbraw/zinc/34/15/54/1060341554.db2.gz DSBJSRWWDBMXIN-QGZVFWFLSA-N 2 2 314.498 4.398 20 0 DIADLP Fc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278524259 1060344890 /nfs/dbraw/zinc/34/48/90/1060344890.db2.gz AXOBYCVCXSJCRP-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278524259 1060344912 /nfs/dbraw/zinc/34/49/12/1060344912.db2.gz AXOBYCVCXSJCRP-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278524259 1060344938 /nfs/dbraw/zinc/34/49/38/1060344938.db2.gz AXOBYCVCXSJCRP-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278524259 1060344959 /nfs/dbraw/zinc/34/49/59/1060344959.db2.gz AXOBYCVCXSJCRP-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP C[C@H](CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)[NH+](C)C ZINC001560547022 1060355901 /nfs/dbraw/zinc/35/59/01/1060355901.db2.gz QQNIMTXRRWRVGL-CYBMUJFWSA-N 2 2 306.837 4.030 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001560550096 1060362245 /nfs/dbraw/zinc/36/22/45/1060362245.db2.gz ZWQHJHWZPLVAER-KRWDZBQOSA-N 2 2 312.482 4.022 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001560550096 1060362265 /nfs/dbraw/zinc/36/22/65/1060362265.db2.gz ZWQHJHWZPLVAER-KRWDZBQOSA-N 2 2 312.482 4.022 20 0 DIADLP c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2)cc1 ZINC001560553623 1060365368 /nfs/dbraw/zinc/36/53/68/1060365368.db2.gz NUZYLHCGOUTQCN-JOCHJYFZSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2)cc1 ZINC001560553623 1060365389 /nfs/dbraw/zinc/36/53/89/1060365389.db2.gz NUZYLHCGOUTQCN-JOCHJYFZSA-N 2 2 320.480 4.460 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644096 1060464042 /nfs/dbraw/zinc/46/40/42/1060464042.db2.gz HTCKFMRCHZILTO-CGXNFDGLSA-N 2 2 312.501 4.055 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644096 1060464054 /nfs/dbraw/zinc/46/40/54/1060464054.db2.gz HTCKFMRCHZILTO-CGXNFDGLSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644096 1060464064 /nfs/dbraw/zinc/46/40/64/1060464064.db2.gz HTCKFMRCHZILTO-CGXNFDGLSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644096 1060464069 /nfs/dbraw/zinc/46/40/69/1060464069.db2.gz HTCKFMRCHZILTO-CGXNFDGLSA-N 2 2 312.501 4.055 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001560806637 1060666095 /nfs/dbraw/zinc/66/60/95/1060666095.db2.gz XRMHWHIIEIQGFB-PKOBYXMFSA-N 2 2 316.533 4.453 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001560806637 1060666103 /nfs/dbraw/zinc/66/61/03/1060666103.db2.gz XRMHWHIIEIQGFB-PKOBYXMFSA-N 2 2 316.533 4.453 20 0 DIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCC1 ZINC001560843578 1060700308 /nfs/dbraw/zinc/70/03/08/1060700308.db2.gz DIEOZCONAIZFPK-UXHICEINSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCC1 ZINC001560843578 1060700321 /nfs/dbraw/zinc/70/03/21/1060700321.db2.gz DIEOZCONAIZFPK-UXHICEINSA-N 2 2 312.501 4.209 20 0 DIADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000536849043 1060711871 /nfs/dbraw/zinc/71/18/71/1060711871.db2.gz ZFWMTTVZYQARGM-LLGFUMIMSA-N 2 2 323.484 4.128 20 0 DIADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000536849043 1060711882 /nfs/dbraw/zinc/71/18/82/1060711882.db2.gz ZFWMTTVZYQARGM-LLGFUMIMSA-N 2 2 323.484 4.128 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC001560882275 1060742519 /nfs/dbraw/zinc/74/25/19/1060742519.db2.gz GRUISECYONONRA-FUHWJXTLSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC001560882275 1060742529 /nfs/dbraw/zinc/74/25/29/1060742529.db2.gz GRUISECYONONRA-FUHWJXTLSA-N 2 2 320.908 4.440 20 0 DIADLP Fc1cccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)c1 ZINC001560934150 1060797175 /nfs/dbraw/zinc/79/71/75/1060797175.db2.gz JUHPDEHXAXAGSB-OUNSHVDWSA-N 2 2 316.464 4.068 20 0 DIADLP Fc1cccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)c1 ZINC001560934150 1060797190 /nfs/dbraw/zinc/79/71/90/1060797190.db2.gz JUHPDEHXAXAGSB-OUNSHVDWSA-N 2 2 316.464 4.068 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001560960937 1060825193 /nfs/dbraw/zinc/82/51/93/1060825193.db2.gz FPUFGNJXGHFUTC-YLJYHZDGSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001560960937 1060825203 /nfs/dbraw/zinc/82/52/03/1060825203.db2.gz FPUFGNJXGHFUTC-YLJYHZDGSA-N 2 2 314.517 4.349 20 0 DIADLP CCCOc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1C ZINC001560957937 1060825667 /nfs/dbraw/zinc/82/56/67/1060825667.db2.gz KHDXLEVHIBRVQB-UHFFFAOYSA-N 2 2 318.505 4.090 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC001560961391 1060827502 /nfs/dbraw/zinc/82/75/02/1060827502.db2.gz GLSJSNRZYJJUMA-SOFGYWHQSA-N 2 2 316.464 4.179 20 0 DIADLP CC[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001560984465 1060849169 /nfs/dbraw/zinc/84/91/69/1060849169.db2.gz ZMZPWHOUSBAQTF-RXVVDRJESA-N 2 2 319.452 4.408 20 0 DIADLP CC(C)C[C@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001560985625 1060850171 /nfs/dbraw/zinc/85/01/71/1060850171.db2.gz GSZFLWOPUAFHLI-PXNSSMCTSA-N 2 2 315.505 4.065 20 0 DIADLP CC(C)C[C@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001560985625 1060850174 /nfs/dbraw/zinc/85/01/74/1060850174.db2.gz GSZFLWOPUAFHLI-PXNSSMCTSA-N 2 2 315.505 4.065 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001560998488 1060858885 /nfs/dbraw/zinc/85/88/85/1060858885.db2.gz ZIBQIWNJRDLVRX-UHFFFAOYSA-N 2 2 312.457 4.273 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(F)ccc1OC ZINC001561014705 1060872076 /nfs/dbraw/zinc/87/20/76/1060872076.db2.gz XZRIBDNSHNAZSP-QGZVFWFLSA-N 2 2 322.468 4.138 20 0 DIADLP Cc1cc(F)cc2[nH+]c(C3CC[NH+](Cc4ccccc4)CC3)[nH]c21 ZINC001250542397 1060885241 /nfs/dbraw/zinc/88/52/41/1060885241.db2.gz XRWSASIFBYGZLL-UHFFFAOYSA-N 2 2 323.415 4.390 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC001561039372 1060890240 /nfs/dbraw/zinc/89/02/40/1060890240.db2.gz QDMTZZPIRYLJIW-MPGHIAIKSA-N 2 2 310.913 4.398 20 0 DIADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001462152632 1060975597 /nfs/dbraw/zinc/97/55/97/1060975597.db2.gz ALZYLBHBDKKVAY-MRXNPFEDSA-N 2 2 320.546 4.051 20 0 DIADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001462152632 1060975617 /nfs/dbraw/zinc/97/56/17/1060975617.db2.gz ALZYLBHBDKKVAY-MRXNPFEDSA-N 2 2 320.546 4.051 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001462158977 1060981636 /nfs/dbraw/zinc/98/16/36/1060981636.db2.gz UMDKBCGYBHUEGQ-LJQANCHMSA-N 2 2 302.506 4.109 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001462158977 1060981659 /nfs/dbraw/zinc/98/16/59/1060981659.db2.gz UMDKBCGYBHUEGQ-LJQANCHMSA-N 2 2 302.506 4.109 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C2CCCC2)cc1 ZINC001473217901 1060991462 /nfs/dbraw/zinc/99/14/62/1060991462.db2.gz SWAUYEJCJUBLBJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C2CCCC2)cc1 ZINC001473217901 1060991478 /nfs/dbraw/zinc/99/14/78/1060991478.db2.gz SWAUYEJCJUBLBJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C2CCCC2)cc1 ZINC001473217901 1060991495 /nfs/dbraw/zinc/99/14/95/1060991495.db2.gz SWAUYEJCJUBLBJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C2CCCC2)cc1 ZINC001473217901 1060991508 /nfs/dbraw/zinc/99/15/08/1060991508.db2.gz SWAUYEJCJUBLBJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP C[C@@H](C[NH2+]C(CCc1ccccc1)CCc1ccccc1)[NH+](C)C ZINC001462245973 1061050693 /nfs/dbraw/zinc/05/06/93/1061050693.db2.gz CXTJYUOVZIHBKI-IBGZPJMESA-N 2 2 324.512 4.160 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC001462388699 1061143443 /nfs/dbraw/zinc/14/34/43/1061143443.db2.gz WNXDCWPDNIMXFD-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC001462388699 1061143452 /nfs/dbraw/zinc/14/34/52/1061143452.db2.gz WNXDCWPDNIMXFD-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)c2ccccc21 ZINC001473411589 1061145136 /nfs/dbraw/zinc/14/51/36/1061145136.db2.gz DWKCGJZBDBEQPV-UONOGXRCSA-N 2 2 302.849 4.238 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)c2ccccc21 ZINC001473411589 1061145141 /nfs/dbraw/zinc/14/51/41/1061145141.db2.gz DWKCGJZBDBEQPV-UONOGXRCSA-N 2 2 302.849 4.238 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccccc1 ZINC001462454944 1061184162 /nfs/dbraw/zinc/18/41/62/1061184162.db2.gz XIHKFZTXRYFOOB-ROUUACIJSA-N 2 2 311.473 4.262 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC001462475926 1061194877 /nfs/dbraw/zinc/19/48/77/1061194877.db2.gz BGXXHUPRBWIKKY-YLJYHZDGSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC001462475926 1061194886 /nfs/dbraw/zinc/19/48/86/1061194886.db2.gz BGXXHUPRBWIKKY-YLJYHZDGSA-N 2 2 310.441 4.046 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487394 1061207572 /nfs/dbraw/zinc/20/75/72/1061207572.db2.gz SUZVSYSZPYWDSB-KSSFIOAISA-N 2 2 306.881 4.050 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487394 1061207591 /nfs/dbraw/zinc/20/75/91/1061207591.db2.gz SUZVSYSZPYWDSB-KSSFIOAISA-N 2 2 306.881 4.050 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1C ZINC001462528957 1061238237 /nfs/dbraw/zinc/23/82/37/1061238237.db2.gz GEDVXIZUNQQUBZ-ALCCZGGFSA-N 2 2 312.501 4.185 20 0 DIADLP CC1(C)CCC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC001462585553 1061280478 /nfs/dbraw/zinc/28/04/78/1061280478.db2.gz LOZWPRWLGBOHGN-INIZCTEOSA-N 2 2 301.478 4.174 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001462673235 1061331359 /nfs/dbraw/zinc/33/13/59/1061331359.db2.gz LLSBSOJOJNPNGM-CYBMUJFWSA-N 2 2 308.853 4.296 20 0 DIADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896258 1061452485 /nfs/dbraw/zinc/45/24/85/1061452485.db2.gz ALMAOXIGPBMWEL-SJORKVTESA-N 2 2 305.510 4.500 20 0 DIADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896258 1061452495 /nfs/dbraw/zinc/45/24/95/1061452495.db2.gz ALMAOXIGPBMWEL-SJORKVTESA-N 2 2 305.510 4.500 20 0 DIADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896256 1061453986 /nfs/dbraw/zinc/45/39/86/1061453986.db2.gz ALMAOXIGPBMWEL-IRXDYDNUSA-N 2 2 305.510 4.500 20 0 DIADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896256 1061453988 /nfs/dbraw/zinc/45/39/88/1061453988.db2.gz ALMAOXIGPBMWEL-IRXDYDNUSA-N 2 2 305.510 4.500 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC001473924752 1061472529 /nfs/dbraw/zinc/47/25/29/1061472529.db2.gz ITEDXYZKIMNJIQ-VHUCWBOISA-N 2 2 308.897 4.309 20 0 DIADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023465 1061564984 /nfs/dbraw/zinc/56/49/84/1061564984.db2.gz ZUVWQLOJHYILOO-MSOLQXFVSA-N 2 2 316.533 4.094 20 0 DIADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023465 1061565000 /nfs/dbraw/zinc/56/50/00/1061565000.db2.gz ZUVWQLOJHYILOO-MSOLQXFVSA-N 2 2 316.533 4.094 20 0 DIADLP CC(C)[NH+](CCC[NH2+]Cc1csc(C(F)(F)F)c1)C(C)C ZINC001474039518 1061587010 /nfs/dbraw/zinc/58/70/10/1061587010.db2.gz GFFQOYWKUINTNR-UHFFFAOYSA-N 2 2 322.440 4.365 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001474108101 1061656248 /nfs/dbraw/zinc/65/62/48/1061656248.db2.gz GBGGWCPJAWMEAZ-CABCVRRESA-N 2 2 321.534 4.009 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001474108101 1061656265 /nfs/dbraw/zinc/65/62/65/1061656265.db2.gz GBGGWCPJAWMEAZ-CABCVRRESA-N 2 2 321.534 4.009 20 0 DIADLP CC[N@H+](CCC[NH2+]Cc1cc(C)ccc1F)C1CCCCC1 ZINC001474200891 1061754199 /nfs/dbraw/zinc/75/41/99/1061754199.db2.gz JGQIOYXCKJVUOK-UHFFFAOYSA-N 2 2 306.469 4.268 20 0 DIADLP CC[N@@H+](CCC[NH2+]Cc1cc(C)ccc1F)C1CCCCC1 ZINC001474200891 1061754216 /nfs/dbraw/zinc/75/42/16/1061754216.db2.gz JGQIOYXCKJVUOK-UHFFFAOYSA-N 2 2 306.469 4.268 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001474238409 1061802708 /nfs/dbraw/zinc/80/27/08/1061802708.db2.gz BDWJLISKEWMOAZ-PRPIBZDOSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001474238409 1061802729 /nfs/dbraw/zinc/80/27/29/1061802729.db2.gz BDWJLISKEWMOAZ-PRPIBZDOSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001474238411 1061802824 /nfs/dbraw/zinc/80/28/24/1061802824.db2.gz BDWJLISKEWMOAZ-RRFGBZISSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001474238411 1061802846 /nfs/dbraw/zinc/80/28/46/1061802846.db2.gz BDWJLISKEWMOAZ-RRFGBZISSA-N 2 2 316.464 4.226 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OCC)CC1 ZINC001474363995 1061989387 /nfs/dbraw/zinc/98/93/87/1061989387.db2.gz WGVPGWDWZKQUDH-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OCC)CC1 ZINC001474363995 1061989413 /nfs/dbraw/zinc/98/94/13/1061989413.db2.gz WGVPGWDWZKQUDH-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001474435287 1062111498 /nfs/dbraw/zinc/11/14/98/1062111498.db2.gz VSVMEUZTGGUOTM-RBUKOAKNSA-N 2 2 317.521 4.447 20 0 DIADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001474435287 1062111515 /nfs/dbraw/zinc/11/15/15/1062111515.db2.gz VSVMEUZTGGUOTM-RBUKOAKNSA-N 2 2 317.521 4.447 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001254491352 1062135803 /nfs/dbraw/zinc/13/58/03/1062135803.db2.gz OETTZSOEABLMQT-LJQANCHMSA-N 2 2 307.441 4.225 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465169 1062145350 /nfs/dbraw/zinc/14/53/50/1062145350.db2.gz KDVZKGKQAGERFM-PWRODBHTSA-N 2 2 314.517 4.311 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465169 1062145363 /nfs/dbraw/zinc/14/53/63/1062145363.db2.gz KDVZKGKQAGERFM-PWRODBHTSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505937 1062148218 /nfs/dbraw/zinc/14/82/18/1062148218.db2.gz MBCFZCWOCIDNPV-NWDGAFQWSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505937 1062148226 /nfs/dbraw/zinc/14/82/26/1062148226.db2.gz MBCFZCWOCIDNPV-NWDGAFQWSA-N 2 2 301.261 4.128 20 0 DIADLP CC[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CC1(C)C ZINC001474472640 1062150959 /nfs/dbraw/zinc/15/09/59/1062150959.db2.gz BIPQACNGZUUABQ-ROUUACIJSA-N 2 2 306.538 4.447 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC001474497772 1062178556 /nfs/dbraw/zinc/17/85/56/1062178556.db2.gz NASFJFZIDRZVMY-QYZOEREBSA-N 2 2 300.490 4.033 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC001474497772 1062178564 /nfs/dbraw/zinc/17/85/64/1062178564.db2.gz NASFJFZIDRZVMY-QYZOEREBSA-N 2 2 300.490 4.033 20 0 DIADLP CC[C@@H]1CCCC[C@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505023 1062186991 /nfs/dbraw/zinc/18/69/91/1062186991.db2.gz NTYPWGIYAFUFOU-MSOLQXFVSA-N 2 2 318.505 4.392 20 0 DIADLP CC[C@@H]1CCCC[C@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505023 1062187000 /nfs/dbraw/zinc/18/70/00/1062187000.db2.gz NTYPWGIYAFUFOU-MSOLQXFVSA-N 2 2 318.505 4.392 20 0 DIADLP Fc1ccc(-c2ccccc2C[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254838100 1062262775 /nfs/dbraw/zinc/26/27/75/1062262775.db2.gz YYFLZAKJTDXZDP-FQEVSTJZSA-N 2 2 324.443 4.067 20 0 DIADLP Fc1ccc([C@H](CC2CCC2)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254848731 1062266763 /nfs/dbraw/zinc/26/67/63/1062266763.db2.gz VSNGBTQLVQBJRR-UXHICEINSA-N 2 2 316.464 4.131 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001474623660 1062345525 /nfs/dbraw/zinc/34/55/25/1062345525.db2.gz XSYQJCPXNXFLSD-CHWSQXEVSA-N 2 2 314.926 4.185 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001474623660 1062345545 /nfs/dbraw/zinc/34/55/45/1062345545.db2.gz XSYQJCPXNXFLSD-CHWSQXEVSA-N 2 2 314.926 4.185 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474625467 1062346395 /nfs/dbraw/zinc/34/63/95/1062346395.db2.gz BKKURSBBHBTBTC-YLJYHZDGSA-N 2 2 323.484 4.417 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474625467 1062346414 /nfs/dbraw/zinc/34/64/14/1062346414.db2.gz BKKURSBBHBTBTC-YLJYHZDGSA-N 2 2 323.484 4.417 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccccc1CF ZINC001459768261 1062377875 /nfs/dbraw/zinc/37/78/75/1062377875.db2.gz GHXBCDPHCFBNCS-UHFFFAOYSA-N 2 2 314.448 4.156 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccccc1CF ZINC001459768261 1062377893 /nfs/dbraw/zinc/37/78/93/1062377893.db2.gz GHXBCDPHCFBNCS-UHFFFAOYSA-N 2 2 314.448 4.156 20 0 DIADLP C[C@@H](CC1CCC1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474651666 1062379866 /nfs/dbraw/zinc/37/98/66/1062379866.db2.gz WVLHRIAHXGINGF-UWVAXJGDSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](CC1CCC1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474651666 1062379882 /nfs/dbraw/zinc/37/98/82/1062379882.db2.gz WVLHRIAHXGINGF-UWVAXJGDSA-N 2 2 300.490 4.065 20 0 DIADLP CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001255318035 1062394052 /nfs/dbraw/zinc/39/40/52/1062394052.db2.gz VFWDIJQPQKSWCC-OAHLLOKOSA-N 2 2 306.469 4.267 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001474666929 1062396949 /nfs/dbraw/zinc/39/69/49/1062396949.db2.gz UVCUVXVBPHEACN-SBHAEUEKSA-N 2 2 312.501 4.233 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001474666929 1062396967 /nfs/dbraw/zinc/39/69/67/1062396967.db2.gz UVCUVXVBPHEACN-SBHAEUEKSA-N 2 2 312.501 4.233 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2CCC(C)([NH+]3CCC3)CC2)c2ccsc2S1 ZINC001474682111 1062413450 /nfs/dbraw/zinc/41/34/50/1062413450.db2.gz HOMYUJDUZZSOHS-DZGCQCFKSA-N 2 2 322.543 4.234 20 0 DIADLP Fc1cccc2c1C[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404559 1062442525 /nfs/dbraw/zinc/44/25/25/1062442525.db2.gz KHQVXOHRMXJSJM-IBGZPJMESA-N 2 2 324.443 4.196 20 0 DIADLP Fc1cccc2c1C[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404559 1062442539 /nfs/dbraw/zinc/44/25/39/1062442539.db2.gz KHQVXOHRMXJSJM-IBGZPJMESA-N 2 2 324.443 4.196 20 0 DIADLP Fc1cccc2c1C[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255404559 1062442549 /nfs/dbraw/zinc/44/25/49/1062442549.db2.gz KHQVXOHRMXJSJM-IBGZPJMESA-N 2 2 324.443 4.196 20 0 DIADLP Fc1cccc2c1C[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255404559 1062442564 /nfs/dbraw/zinc/44/25/64/1062442564.db2.gz KHQVXOHRMXJSJM-IBGZPJMESA-N 2 2 324.443 4.196 20 0 DIADLP Cc1ccc(SC[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001255769552 1062593088 /nfs/dbraw/zinc/59/30/88/1062593088.db2.gz IQAHGVCJVOMKAI-INIZCTEOSA-N 2 2 315.486 4.009 20 0 DIADLP Cc1ccc(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255782068 1062603231 /nfs/dbraw/zinc/60/32/31/1062603231.db2.gz GBSUWTAHIXYOSI-IHPCNDPISA-N 2 2 323.484 4.098 20 0 DIADLP Cc1ccc(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255782071 1062603359 /nfs/dbraw/zinc/60/33/59/1062603359.db2.gz GBSUWTAHIXYOSI-MISYRCLQSA-N 2 2 323.484 4.098 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC001255882793 1062654899 /nfs/dbraw/zinc/65/48/99/1062654899.db2.gz JQLJKXVGKYPMTH-UHFFFAOYSA-N 2 2 318.480 4.411 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001255968239 1062672842 /nfs/dbraw/zinc/67/28/42/1062672842.db2.gz WSMVYBDCWIAGPT-KDOFPFPSSA-N 2 2 310.432 4.222 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001255968239 1062672859 /nfs/dbraw/zinc/67/28/59/1062672859.db2.gz WSMVYBDCWIAGPT-KDOFPFPSSA-N 2 2 310.432 4.222 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256527439 1062849752 /nfs/dbraw/zinc/84/97/52/1062849752.db2.gz RVZZCZURUHSNRH-CMKODMSKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256527439 1062849775 /nfs/dbraw/zinc/84/97/75/1062849775.db2.gz RVZZCZURUHSNRH-CMKODMSKSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(Cl)c1F ZINC001256555282 1062875959 /nfs/dbraw/zinc/87/59/59/1062875959.db2.gz UCYYWXUNRPGCBR-GFCCVEGCSA-N 2 2 312.860 4.393 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001256567823 1062893212 /nfs/dbraw/zinc/89/32/12/1062893212.db2.gz ZKTNKGUCECNVHH-QGZVFWFLSA-N 2 2 321.896 4.039 20 0 DIADLP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC001256610329 1062916293 /nfs/dbraw/zinc/91/62/93/1062916293.db2.gz CGXQVFQHGXTJTF-QFIPXVFZSA-N 2 2 320.480 4.488 20 0 DIADLP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC001256610329 1062916317 /nfs/dbraw/zinc/91/63/17/1062916317.db2.gz CGXQVFQHGXTJTF-QFIPXVFZSA-N 2 2 320.480 4.488 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257205015 1063137058 /nfs/dbraw/zinc/13/70/58/1063137058.db2.gz FGISODURKJROQE-UHFFFAOYSA-N 2 2 315.288 4.264 20 0 DIADLP CCC[N@H+](C/C=C/Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460942162 1063148242 /nfs/dbraw/zinc/14/82/42/1063148242.db2.gz YGFAMQAXVHNXHT-IZZDOVSWSA-N 2 2 306.881 4.116 20 0 DIADLP CCC[N@@H+](C/C=C/Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460942162 1063148256 /nfs/dbraw/zinc/14/82/56/1063148256.db2.gz YGFAMQAXVHNXHT-IZZDOVSWSA-N 2 2 306.881 4.116 20 0 DIADLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001257250256 1063157039 /nfs/dbraw/zinc/15/70/39/1063157039.db2.gz LHFCLMSPRBRHCF-SFHVURJKSA-N 2 2 306.469 4.267 20 0 DIADLP CCCCCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001257356903 1063223240 /nfs/dbraw/zinc/22/32/40/1063223240.db2.gz CYQDSHRINTXKLA-MRXNPFEDSA-N 2 2 306.469 4.434 20 0 DIADLP CCCC[C@H](CC)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257413578 1063261551 /nfs/dbraw/zinc/26/15/51/1063261551.db2.gz DPKSOWLHVISCLP-SFHVURJKSA-N 2 2 318.505 4.218 20 0 DIADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001257427919 1063274480 /nfs/dbraw/zinc/27/44/80/1063274480.db2.gz WXMUKBKEDXYGDQ-ZDUSSCGKSA-N 2 2 314.395 4.058 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001257465322 1063287111 /nfs/dbraw/zinc/28/71/11/1063287111.db2.gz ZOMQKMPGISOISG-QZTJIDSGSA-N 2 2 302.506 4.313 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257486352 1063309526 /nfs/dbraw/zinc/30/95/26/1063309526.db2.gz VBRHVPMLIVFCCA-DLBZAZTESA-N 2 2 303.494 4.245 20 0 DIADLP CCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257504081 1063315977 /nfs/dbraw/zinc/31/59/77/1063315977.db2.gz INUTVGQSCMUEKD-KRWDZBQOSA-N 2 2 318.505 4.218 20 0 DIADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC001461195260 1063322634 /nfs/dbraw/zinc/32/26/34/1063322634.db2.gz UXSHPIQQNITJGX-XOVFHRFOSA-N 2 2 306.881 4.207 20 0 DIADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC001461195260 1063322638 /nfs/dbraw/zinc/32/26/38/1063322638.db2.gz UXSHPIQQNITJGX-XOVFHRFOSA-N 2 2 306.881 4.207 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC001461374316 1063455285 /nfs/dbraw/zinc/45/52/85/1063455285.db2.gz YFDUGYYWNRIJIA-HLIPFELVSA-N 2 2 315.505 4.165 20 0 DIADLP c1cn(C2CCC(c3ccccc3)CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001257998660 1063455684 /nfs/dbraw/zinc/45/56/84/1063455684.db2.gz MJILFQTUMYKFTP-JLAWEPINSA-N 2 2 309.457 4.249 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258064702 1063493121 /nfs/dbraw/zinc/49/31/21/1063493121.db2.gz RNALIMAQBVLLHG-DLBZAZTESA-N 2 2 304.478 4.386 20 0 DIADLP CC(C)=CCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258098084 1063518872 /nfs/dbraw/zinc/51/88/72/1063518872.db2.gz RDRLUNOYEKLGFH-KRWDZBQOSA-N 2 2 301.478 4.083 20 0 DIADLP C[C@H](Cc1ccco1)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001258172777 1063544085 /nfs/dbraw/zinc/54/40/85/1063544085.db2.gz RDPWUJLQJDDNBU-MAODMQOUSA-N 2 2 320.436 4.242 20 0 DIADLP CC1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001461531546 1063560950 /nfs/dbraw/zinc/56/09/50/1063560950.db2.gz VBNDBDFFLZOZOS-UHFFFAOYSA-N 2 2 303.837 4.194 20 0 DIADLP CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461547665 1063573458 /nfs/dbraw/zinc/57/34/58/1063573458.db2.gz GHKSQGZTQKSWMA-LSDHHAIUSA-N 2 2 303.475 4.240 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301770 1063598519 /nfs/dbraw/zinc/59/85/19/1063598519.db2.gz IKDRFAVECOCOJI-JKSUJKDBSA-N 2 2 324.534 4.142 20 0 DIADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301770 1063598530 /nfs/dbraw/zinc/59/85/30/1063598530.db2.gz IKDRFAVECOCOJI-JKSUJKDBSA-N 2 2 324.534 4.142 20 0 DIADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001258321524 1063610635 /nfs/dbraw/zinc/61/06/35/1063610635.db2.gz NLSFETSPWSPEPG-SJLPKXTDSA-N 2 2 320.546 4.333 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC1(C)C ZINC001461617898 1063617365 /nfs/dbraw/zinc/61/73/65/1063617365.db2.gz UCTFAEOPLWZEAF-AWEZNQCLSA-N 2 2 306.881 4.182 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC1(C)C ZINC001461617898 1063617376 /nfs/dbraw/zinc/61/73/76/1063617376.db2.gz UCTFAEOPLWZEAF-AWEZNQCLSA-N 2 2 306.881 4.182 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001461683613 1063654435 /nfs/dbraw/zinc/65/44/35/1063654435.db2.gz PNLQJLKCWGKPBL-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001461683613 1063654441 /nfs/dbraw/zinc/65/44/41/1063654441.db2.gz PNLQJLKCWGKPBL-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP CCCCC[C@H](CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258438551 1063654682 /nfs/dbraw/zinc/65/46/82/1063654682.db2.gz NVCKZNWKAJRJAB-SFHVURJKSA-N 2 2 303.494 4.247 20 0 DIADLP CCCCC[C@@H](CC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258443989 1063657149 /nfs/dbraw/zinc/65/71/49/1063657149.db2.gz QHTONKRXJGADFY-QGZVFWFLSA-N 2 2 303.494 4.307 20 0 DIADLP CCC1CCC(C2CCC(n3cc[nH+]c3CC[NH3+])CC2)CC1 ZINC001258632486 1063715088 /nfs/dbraw/zinc/71/50/88/1063715088.db2.gz HDJPRRZTDFXQRH-UHFFFAOYSA-N 2 2 303.494 4.332 20 0 DIADLP C[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258691619 1063754989 /nfs/dbraw/zinc/75/49/89/1063754989.db2.gz HDPVPKAAVNMJTP-TVFCKZIOSA-N 2 2 315.505 4.373 20 0 DIADLP CC[C@@H](C)C[C@@H](CC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258800717 1063833945 /nfs/dbraw/zinc/83/39/45/1063833945.db2.gz TVAWPOMAAFAQLJ-NVXWUHKLSA-N 2 2 303.494 4.163 20 0 DIADLP CC(C)C1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258802243 1063836286 /nfs/dbraw/zinc/83/62/86/1063836286.db2.gz IUNLQTRFSRXZPF-ASUHFHQRSA-N 2 2 315.505 4.373 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC001258815584 1063845370 /nfs/dbraw/zinc/84/53/70/1063845370.db2.gz YVEVFXMOENHGGB-MGPUTAFESA-N 2 2 318.480 4.267 20 0 DIADLP C[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830779 1063852196 /nfs/dbraw/zinc/85/21/96/1063852196.db2.gz SFSJJRCOHOTOCI-OXQOHEQNSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830779 1063852202 /nfs/dbraw/zinc/85/22/02/1063852202.db2.gz SFSJJRCOHOTOCI-OXQOHEQNSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828957 1063852276 /nfs/dbraw/zinc/85/22/76/1063852276.db2.gz UJVQKOPGPYYKMV-QFBILLFUSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828957 1063852288 /nfs/dbraw/zinc/85/22/88/1063852288.db2.gz UJVQKOPGPYYKMV-QFBILLFUSA-N 2 2 318.480 4.301 20 0 DIADLP CC(C)CC(CC(C)C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258832388 1063855483 /nfs/dbraw/zinc/85/54/83/1063855483.db2.gz SQVWBDOQKSBSQV-UHFFFAOYSA-N 2 2 317.521 4.348 20 0 DIADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379622867 1063985667 /nfs/dbraw/zinc/98/56/67/1063985667.db2.gz HFPQQZQULPODIB-UBLKFNIESA-N 2 2 320.480 4.344 20 0 DIADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379622867 1063985673 /nfs/dbraw/zinc/98/56/73/1063985673.db2.gz HFPQQZQULPODIB-UBLKFNIESA-N 2 2 320.480 4.344 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390521518 1064161776 /nfs/dbraw/zinc/16/17/76/1064161776.db2.gz GUDVJQYRGIGLHE-YZGWKJHDSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390521518 1064161779 /nfs/dbraw/zinc/16/17/79/1064161779.db2.gz GUDVJQYRGIGLHE-YZGWKJHDSA-N 2 2 300.490 4.209 20 0 DIADLP CC1(C)CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390527224 1064162991 /nfs/dbraw/zinc/16/29/91/1064162991.db2.gz JOROHEDZXPTTCP-LJQANCHMSA-N 2 2 300.490 4.209 20 0 DIADLP CC1(C)CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390527224 1064162994 /nfs/dbraw/zinc/16/29/94/1064162994.db2.gz JOROHEDZXPTTCP-LJQANCHMSA-N 2 2 300.490 4.209 20 0 DIADLP c1[nH]c2ccccc2c1C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001279173960 1064336358 /nfs/dbraw/zinc/33/63/58/1064336358.db2.gz UYTSGDYIBFHXJH-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP c1[nH]c2ccccc2c1C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001279173960 1064336367 /nfs/dbraw/zinc/33/63/67/1064336367.db2.gz UYTSGDYIBFHXJH-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP CCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001279330586 1064344453 /nfs/dbraw/zinc/34/44/53/1064344453.db2.gz QUCAVVLTPCPTPE-FQEVSTJZSA-N 2 2 316.489 4.073 20 0 DIADLP CCc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001279330586 1064344462 /nfs/dbraw/zinc/34/44/62/1064344462.db2.gz QUCAVVLTPCPTPE-FQEVSTJZSA-N 2 2 316.489 4.073 20 0 DIADLP CCc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)o1 ZINC001279330586 1064344469 /nfs/dbraw/zinc/34/44/69/1064344469.db2.gz QUCAVVLTPCPTPE-FQEVSTJZSA-N 2 2 316.489 4.073 20 0 DIADLP CCc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)o1 ZINC001279330586 1064344478 /nfs/dbraw/zinc/34/44/78/1064344478.db2.gz QUCAVVLTPCPTPE-FQEVSTJZSA-N 2 2 316.489 4.073 20 0 DIADLP CCCC[C@H](CC)C[NH+]1CC2(C1)C[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001279644213 1064360854 /nfs/dbraw/zinc/36/08/54/1064360854.db2.gz XMEILDJIKUWRFH-VNTMZGSJSA-N 2 2 316.533 4.033 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1F ZINC000650743439 1064590919 /nfs/dbraw/zinc/59/09/19/1064590919.db2.gz TULUDYRIELMCCW-LSTHTHJFSA-N 2 2 312.432 4.360 20 0 DIADLP C[C@H]1CC(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)C[C@H](C)C1 ZINC001307652675 1065545018 /nfs/dbraw/zinc/54/50/18/1065545018.db2.gz POGLSLROTTZELS-IAGOWNOFSA-N 2 2 315.505 4.420 20 0 DIADLP Cc1cccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC001307680431 1065558704 /nfs/dbraw/zinc/55/87/04/1065558704.db2.gz SHUROGOKIBTBIH-FQEVSTJZSA-N 2 2 317.436 4.170 20 0 DIADLP Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC001307680431 1065558724 /nfs/dbraw/zinc/55/87/24/1065558724.db2.gz SHUROGOKIBTBIH-FQEVSTJZSA-N 2 2 317.436 4.170 20 0 DIADLP CCc1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC001307723333 1065586951 /nfs/dbraw/zinc/58/69/51/1065586951.db2.gz IOPJVCKKMGHWKA-UHFFFAOYSA-N 2 2 324.468 4.038 20 0 DIADLP Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC001307743518 1065601401 /nfs/dbraw/zinc/60/14/01/1065601401.db2.gz JDIVXAZEASKEMN-UHFFFAOYSA-N 2 2 319.452 4.430 20 0 DIADLP Cc1cc(C)cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC001307743518 1065601405 /nfs/dbraw/zinc/60/14/05/1065601405.db2.gz JDIVXAZEASKEMN-UHFFFAOYSA-N 2 2 319.452 4.430 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc21 ZINC001307898931 1065670995 /nfs/dbraw/zinc/67/09/95/1065670995.db2.gz GZSMKVSFOGOAMS-KRWDZBQOSA-N 2 2 317.436 4.034 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc21 ZINC001307898931 1065671005 /nfs/dbraw/zinc/67/10/05/1065671005.db2.gz GZSMKVSFOGOAMS-KRWDZBQOSA-N 2 2 317.436 4.034 20 0 DIADLP C[C@H](c1ccccc1Cl)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308167887 1065787190 /nfs/dbraw/zinc/78/71/90/1065787190.db2.gz XLGNLBDZZQANIZ-CYBMUJFWSA-N 2 2 303.837 4.014 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C)(C)CC1)Cc1ccccc1 ZINC001308195046 1065803357 /nfs/dbraw/zinc/80/33/57/1065803357.db2.gz WHZISSYKTODYFZ-FQEVSTJZSA-N 2 2 316.533 4.498 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC001308273776 1065872597 /nfs/dbraw/zinc/87/25/97/1065872597.db2.gz DETWQYAKPPYPIT-QZTJIDSGSA-N 2 2 324.553 4.070 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001308322399 1065912563 /nfs/dbraw/zinc/91/25/63/1065912563.db2.gz MVRDIBRLCPSZJX-VGOFRKELSA-N 2 2 320.480 4.234 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001308322399 1065912572 /nfs/dbraw/zinc/91/25/72/1065912572.db2.gz MVRDIBRLCPSZJX-VGOFRKELSA-N 2 2 320.480 4.234 20 0 DIADLP CCCOc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001308413128 1065971430 /nfs/dbraw/zinc/97/14/30/1065971430.db2.gz PCQRALMEICLWHC-IBGZPJMESA-N 2 2 318.505 4.076 20 0 DIADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001308458747 1066002445 /nfs/dbraw/zinc/00/24/45/1066002445.db2.gz YDUSUQFRVJJDDD-UHFFFAOYSA-N 2 2 321.267 4.200 20 0 DIADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001308458747 1066002453 /nfs/dbraw/zinc/00/24/53/1066002453.db2.gz YDUSUQFRVJJDDD-UHFFFAOYSA-N 2 2 321.267 4.200 20 0 DIADLP CC1(C)CCC(C)([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001308491185 1066024245 /nfs/dbraw/zinc/02/42/45/1066024245.db2.gz KSMRASSXSVQKKG-UHFFFAOYSA-N 2 2 303.475 4.382 20 0 DIADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001308736916 1066210984 /nfs/dbraw/zinc/21/09/84/1066210984.db2.gz AUDMOMAEZUYWRY-YJBOKZPZSA-N 2 2 320.546 4.050 20 0 DIADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001308736916 1066210986 /nfs/dbraw/zinc/21/09/86/1066210986.db2.gz AUDMOMAEZUYWRY-YJBOKZPZSA-N 2 2 320.546 4.050 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001308738265 1066213857 /nfs/dbraw/zinc/21/38/57/1066213857.db2.gz RPCYCQIRALKBOX-UFYCRDLUSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001308738265 1066213869 /nfs/dbraw/zinc/21/38/69/1066213869.db2.gz RPCYCQIRALKBOX-UFYCRDLUSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001308738263 1066214016 /nfs/dbraw/zinc/21/40/16/1066214016.db2.gz RPCYCQIRALKBOX-AQNXPRMDSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001308738263 1066214029 /nfs/dbraw/zinc/21/40/29/1066214029.db2.gz RPCYCQIRALKBOX-AQNXPRMDSA-N 2 2 314.517 4.108 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001308784096 1066257065 /nfs/dbraw/zinc/25/70/65/1066257065.db2.gz CKINMIDYPULJIC-GRDNDAEWSA-N 2 2 315.848 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789052 1066263903 /nfs/dbraw/zinc/26/39/03/1066263903.db2.gz PULTUFYZWOCYJX-YLJYHZDGSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789052 1066263914 /nfs/dbraw/zinc/26/39/14/1066263914.db2.gz PULTUFYZWOCYJX-YLJYHZDGSA-N 2 2 314.517 4.313 20 0 DIADLP C([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864140 1066345554 /nfs/dbraw/zinc/34/55/54/1066345554.db2.gz KRWWXJILTIAJMR-AJYBTWMASA-N 2 2 304.522 4.342 20 0 DIADLP C([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001308864140 1066345566 /nfs/dbraw/zinc/34/55/66/1066345566.db2.gz KRWWXJILTIAJMR-AJYBTWMASA-N 2 2 304.522 4.342 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001308864756 1066346361 /nfs/dbraw/zinc/34/63/61/1066346361.db2.gz LKYGYBLBPJUCMZ-ICSRJNTNSA-N 2 2 302.506 4.108 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877263 1066354835 /nfs/dbraw/zinc/35/48/35/1066354835.db2.gz ITIRBBJVMGAPDA-WDSOQIARSA-N 2 2 320.908 4.440 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877263 1066354852 /nfs/dbraw/zinc/35/48/52/1066354852.db2.gz ITIRBBJVMGAPDA-WDSOQIARSA-N 2 2 320.908 4.440 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC001308971826 1066425957 /nfs/dbraw/zinc/42/59/57/1066425957.db2.gz XBNICTNPAQLJCV-UHFFFAOYSA-N 2 2 306.881 4.063 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C[C@@H](c3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000563740036 334973448 /nfs/dbraw/zinc/97/34/48/334973448.db2.gz VDKQMAZSQBPCLT-NRFANRHFSA-N 2 2 317.436 4.156 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000320406022 334994138 /nfs/dbraw/zinc/99/41/38/334994138.db2.gz WRDLRJQIKLJNNJ-HXUWFJFHSA-N 2 2 305.425 4.086 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1OC ZINC000119656527 195011082 /nfs/dbraw/zinc/01/10/82/195011082.db2.gz PSQHVBSUICSZFF-KRWDZBQOSA-N 2 2 322.880 4.016 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000285834874 131204681 /nfs/dbraw/zinc/20/46/81/131204681.db2.gz XBEGWHNHTMQVIL-SFHVURJKSA-N 2 2 323.484 4.014 20 0 DIADLP C[N@H+](Cc1c(Cl)oc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289220237 131367084 /nfs/dbraw/zinc/36/70/84/131367084.db2.gz CKHRHZUJSKAGNA-PBWFPOADSA-N 2 2 318.848 4.143 20 0 DIADLP C[N@@H+](Cc1c(Cl)oc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289220237 131367085 /nfs/dbraw/zinc/36/70/85/131367085.db2.gz CKHRHZUJSKAGNA-PBWFPOADSA-N 2 2 318.848 4.143 20 0 DIADLP C[NH+](Cc1c(Cl)oc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289220237 131367086 /nfs/dbraw/zinc/36/70/86/131367086.db2.gz CKHRHZUJSKAGNA-PBWFPOADSA-N 2 2 318.848 4.143 20 0 DIADLP C[NH+](Cc1c(Cl)oc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289220237 131367087 /nfs/dbraw/zinc/36/70/87/131367087.db2.gz CKHRHZUJSKAGNA-PBWFPOADSA-N 2 2 318.848 4.143 20 0 DIADLP Fc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000297348130 132011179 /nfs/dbraw/zinc/01/11/79/132011179.db2.gz FCFGAHXGYPDEFN-NRFANRHFSA-N 2 2 324.443 4.132 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccsc2S1 ZINC000163810251 132123181 /nfs/dbraw/zinc/12/31/81/132123181.db2.gz VUJQWDGJAZIHFK-GXTWGEPZSA-N 2 2 319.499 4.160 20 0 DIADLP CCc1cc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nc[nH+]1 ZINC000603382799 435335225 /nfs/dbraw/zinc/33/52/25/435335225.db2.gz QPTDKEXRXFCHHM-INIZCTEOSA-N 2 2 324.472 4.026 20 0 DIADLP CCc1cc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nc[nH+]1 ZINC000603382799 435335232 /nfs/dbraw/zinc/33/52/32/435335232.db2.gz QPTDKEXRXFCHHM-INIZCTEOSA-N 2 2 324.472 4.026 20 0 DIADLP Cc1csc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449069918 332813719 /nfs/dbraw/zinc/81/37/19/332813719.db2.gz AVSXSETYUFNLPM-UHFFFAOYSA-N 2 2 323.550 4.220 20 0 DIADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000037249270 331548830 /nfs/dbraw/zinc/54/88/30/331548830.db2.gz OHFRSYXNUFNRNS-OAHLLOKOSA-N 2 2 312.244 4.321 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1cc[nH+]cc1C ZINC000533637173 331639024 /nfs/dbraw/zinc/63/90/24/331639024.db2.gz LMRYGIUMGIKDOE-KAMYIIQDSA-N 2 2 300.833 4.279 20 0 DIADLP Cc1[nH+]cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)n1-c1ccccc1 ZINC000530975149 331770193 /nfs/dbraw/zinc/77/01/93/331770193.db2.gz ABSBKZMRDMHAGM-IFXJQAMLSA-N 2 2 321.424 4.187 20 0 DIADLP CC[NH+](CC)CCC[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090802821 331915589 /nfs/dbraw/zinc/91/55/89/331915589.db2.gz VENYTPQDRKUNKW-LBPRGKRZSA-N 2 2 303.372 4.023 20 0 DIADLP CC[C@@H](c1ccccc1OC)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000518258580 332002189 /nfs/dbraw/zinc/00/21/89/332002189.db2.gz NLDINZLWXCQCTE-IBGZPJMESA-N 2 2 312.457 4.414 20 0 DIADLP CC[C@@H](c1ccccc1OC)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000518258580 332002191 /nfs/dbraw/zinc/00/21/91/332002191.db2.gz NLDINZLWXCQCTE-IBGZPJMESA-N 2 2 312.457 4.414 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1Cl ZINC000426138651 332055726 /nfs/dbraw/zinc/05/57/26/332055726.db2.gz SXNRCSNDCAQMSB-AAEUAGOBSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(Cl)ccc1Cl ZINC000426138651 332055727 /nfs/dbraw/zinc/05/57/27/332055727.db2.gz SXNRCSNDCAQMSB-AAEUAGOBSA-N 2 2 301.261 4.128 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000091669165 332109738 /nfs/dbraw/zinc/10/97/38/332109738.db2.gz GXPSMKNIPVJKPN-UHFFFAOYSA-N 2 2 318.461 4.080 20 0 DIADLP CC(C)(C)c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)s1 ZINC000133627972 332141697 /nfs/dbraw/zinc/14/16/97/332141697.db2.gz KJMRPSNJHZOQHP-UHFFFAOYSA-N 2 2 306.519 4.010 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000559740542 332278394 /nfs/dbraw/zinc/27/83/94/332278394.db2.gz KMKAXXKRCHTECJ-WSTLGDPDSA-N 2 2 324.468 4.328 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000559740542 332278395 /nfs/dbraw/zinc/27/83/95/332278395.db2.gz KMKAXXKRCHTECJ-WSTLGDPDSA-N 2 2 324.468 4.328 20 0 DIADLP CCSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000560266749 332325449 /nfs/dbraw/zinc/32/54/49/332325449.db2.gz QPSRJQLPSKYQJT-CQSZACIVSA-N 2 2 315.486 4.182 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000574605452 332397315 /nfs/dbraw/zinc/39/73/15/332397315.db2.gz OGSBTYXWLYJKJM-CQSZACIVSA-N 2 2 304.384 4.294 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000574605452 332397316 /nfs/dbraw/zinc/39/73/16/332397316.db2.gz OGSBTYXWLYJKJM-CQSZACIVSA-N 2 2 304.384 4.294 20 0 DIADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427848972 332538965 /nfs/dbraw/zinc/53/89/65/332538965.db2.gz YKFXZKVCYMXQEY-WFASDCNBSA-N 2 2 324.255 4.246 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000567025975 332630423 /nfs/dbraw/zinc/63/04/23/332630423.db2.gz MSDQZQYLSHNROX-MRXNPFEDSA-N 2 2 306.469 4.062 20 0 DIADLP Clc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000520962824 333036599 /nfs/dbraw/zinc/03/65/99/333036599.db2.gz TTYUFRNWPDHAFK-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP c1cc2[nH+]ccc(N3CCC[N@@H+](Cc4ccccc4)CC3)c2s1 ZINC000462096435 333133904 /nfs/dbraw/zinc/13/39/04/333133904.db2.gz DGYFQQPFEPCWTM-UHFFFAOYSA-N 2 2 323.465 4.009 20 0 DIADLP c1cc2[nH+]ccc(N3CCC[N@H+](Cc4ccccc4)CC3)c2s1 ZINC000462096435 333133906 /nfs/dbraw/zinc/13/39/06/333133906.db2.gz DGYFQQPFEPCWTM-UHFFFAOYSA-N 2 2 323.465 4.009 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+]C3CC(OC(C)(C)C)C3)cc2)c1C ZINC000463031472 333141676 /nfs/dbraw/zinc/14/16/76/333141676.db2.gz XOSBDGHYIHJVMB-UHFFFAOYSA-N 2 2 313.445 4.247 20 0 DIADLP Cc1ccccc1CC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000518777539 333160611 /nfs/dbraw/zinc/16/06/11/333160611.db2.gz JCPNTMLWXWJQDK-UHFFFAOYSA-N 2 2 319.452 4.292 20 0 DIADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@H]32)[nH+]1 ZINC000582089598 333208918 /nfs/dbraw/zinc/20/89/18/333208918.db2.gz MYLDSCWEMCKJSK-SLFFLAALSA-N 2 2 317.436 4.102 20 0 DIADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@H]32)[nH+]1 ZINC000582089598 333208919 /nfs/dbraw/zinc/20/89/19/333208919.db2.gz MYLDSCWEMCKJSK-SLFFLAALSA-N 2 2 317.436 4.102 20 0 DIADLP C[NH+]1CCC([NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497530193 333260301 /nfs/dbraw/zinc/26/03/01/333260301.db2.gz QHUGFUWROQNNGT-GOSISDBHSA-N 2 2 300.446 4.204 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390576046 333302914 /nfs/dbraw/zinc/30/29/14/333302914.db2.gz FNSMOWPRIQGRND-FXAWDEMLSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390576046 333302916 /nfs/dbraw/zinc/30/29/16/333302916.db2.gz FNSMOWPRIQGRND-FXAWDEMLSA-N 2 2 324.468 4.010 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000390580601 333303756 /nfs/dbraw/zinc/30/37/56/333303756.db2.gz HQYVMHOVLMERBF-LSDHHAIUSA-N 2 2 316.411 4.218 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000390580601 333303757 /nfs/dbraw/zinc/30/37/57/333303757.db2.gz HQYVMHOVLMERBF-LSDHHAIUSA-N 2 2 316.411 4.218 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000221916354 333379576 /nfs/dbraw/zinc/37/95/76/333379576.db2.gz GFPMBKPXFSCRPZ-SNVBAGLBSA-N 2 2 309.306 4.436 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000221916354 333379577 /nfs/dbraw/zinc/37/95/77/333379577.db2.gz GFPMBKPXFSCRPZ-SNVBAGLBSA-N 2 2 309.306 4.436 20 0 DIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cccs1 ZINC000021787798 333451910 /nfs/dbraw/zinc/45/19/10/333451910.db2.gz HJWXPRYEVOIWHG-NVXWUHKLSA-N 2 2 300.471 4.236 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000098078659 333506892 /nfs/dbraw/zinc/50/68/92/333506892.db2.gz WATQMRDTCGRBAP-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531683586 333540743 /nfs/dbraw/zinc/54/07/43/333540743.db2.gz UVGRPCRWBZOLTA-WOJBJXKFSA-N 2 2 311.473 4.236 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000414106436 333897289 /nfs/dbraw/zinc/89/72/89/333897289.db2.gz QXSMTSWVKDYZRK-IPELMVKDSA-N 2 2 315.505 4.021 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000343526512 335174918 /nfs/dbraw/zinc/17/49/18/335174918.db2.gz JRIFTSPHGMBXHH-IIBYNOLFSA-N 2 2 317.436 4.270 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000343508963 335172632 /nfs/dbraw/zinc/17/26/32/335172632.db2.gz IPMWKRMNJLWXSF-KKSFZXQISA-N 2 2 317.436 4.270 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414828818 334110178 /nfs/dbraw/zinc/11/01/78/334110178.db2.gz JKURSNBLOGZTBU-IUODEOHRSA-N 2 2 308.878 4.012 20 0 DIADLP CC(C)c1ncc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414841319 334112972 /nfs/dbraw/zinc/11/29/72/334112972.db2.gz HSPZCSHSHJPDJV-KRWDZBQOSA-N 2 2 317.502 4.180 20 0 DIADLP c1cn(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000343578294 335178845 /nfs/dbraw/zinc/17/88/45/335178845.db2.gz FEDVIVABIYRLOT-NRFANRHFSA-N 2 2 319.452 4.237 20 0 DIADLP Clc1scc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000415041912 334261038 /nfs/dbraw/zinc/26/10/38/334261038.db2.gz LWNLPFLDRSBAAM-JQWIXIFHSA-N 2 2 319.301 4.019 20 0 DIADLP Clc1scc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000415041912 334261040 /nfs/dbraw/zinc/26/10/40/334261040.db2.gz LWNLPFLDRSBAAM-JQWIXIFHSA-N 2 2 319.301 4.019 20 0 DIADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415107384 334281629 /nfs/dbraw/zinc/28/16/29/334281629.db2.gz JCUPASKHJHSMST-IMFGXOCKSA-N 2 2 324.468 4.148 20 0 DIADLP CCC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccsc1 ZINC000443096859 338444475 /nfs/dbraw/zinc/44/44/75/338444475.db2.gz JNDWXWYQVQYGPX-ZBFHGGJFSA-N 2 2 303.475 4.261 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1)CCC2 ZINC000534647430 334316051 /nfs/dbraw/zinc/31/60/51/334316051.db2.gz DHPSXZNMLJUBAH-BZZMCLGOSA-N 2 2 303.494 4.119 20 0 DIADLP Clc1cccc2c1CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000531965053 334319641 /nfs/dbraw/zinc/31/96/41/334319641.db2.gz SXIHTPPETPEENY-QGZVFWFLSA-N 2 2 315.848 4.204 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000443076608 338443543 /nfs/dbraw/zinc/44/35/43/338443543.db2.gz YQQBHKCMPGNVFE-HNNXBMFYSA-N 2 2 300.471 4.395 20 0 DIADLP Cc1ccc(C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C(C)C)cc1 ZINC000531989577 334365208 /nfs/dbraw/zinc/36/52/08/334365208.db2.gz NNAOPZAIWBHHED-HXUWFJFHSA-N 2 2 321.468 4.042 20 0 DIADLP C[NH+](C)CCc1ccc(CNc2[nH+]ccc3ccc(F)cc32)cc1 ZINC000341476884 334451909 /nfs/dbraw/zinc/45/19/09/334451909.db2.gz GMGHMDOKZLXGHE-UHFFFAOYSA-N 2 2 323.415 4.090 20 0 DIADLP Cc1oc2ccccc2c1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341555755 334457833 /nfs/dbraw/zinc/45/78/33/334457833.db2.gz LKOQPHKTFUWACX-UHFFFAOYSA-N 2 2 323.421 4.278 20 0 DIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000343931231 335202634 /nfs/dbraw/zinc/20/26/34/335202634.db2.gz SLYLOYNYINBLFO-KRWDZBQOSA-N 2 2 317.864 4.156 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344033049 335210778 /nfs/dbraw/zinc/21/07/78/335210778.db2.gz KMHIQXPERUPTPN-SFHVURJKSA-N 2 2 323.415 4.151 20 0 DIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1F ZINC000344309315 335239329 /nfs/dbraw/zinc/23/93/29/335239329.db2.gz TUACRIPMYVUSGS-NSHDSACASA-N 2 2 319.380 4.063 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3cc(C)c(C)cc3o1)CCC2 ZINC000344545655 335260709 /nfs/dbraw/zinc/26/07/09/335260709.db2.gz SFTBRZZJCCQKSW-MRXNPFEDSA-N 2 2 323.440 4.222 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000346127252 335376985 /nfs/dbraw/zinc/37/69/85/335376985.db2.gz AUOORZANLBXIOI-GOSISDBHSA-N 2 2 309.438 4.271 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000346127252 335376986 /nfs/dbraw/zinc/37/69/86/335376986.db2.gz AUOORZANLBXIOI-GOSISDBHSA-N 2 2 309.438 4.271 20 0 DIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1C ZINC000346152938 335382593 /nfs/dbraw/zinc/38/25/93/335382593.db2.gz PASFUYWPHPPKPG-UHFFFAOYSA-N 2 2 311.454 4.264 20 0 DIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1C ZINC000346152938 335382595 /nfs/dbraw/zinc/38/25/95/335382595.db2.gz PASFUYWPHPPKPG-UHFFFAOYSA-N 2 2 311.454 4.264 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346156104 335383096 /nfs/dbraw/zinc/38/30/96/335383096.db2.gz AKRSONGXDJGWEB-YOEHRIQHSA-N 2 2 301.459 4.088 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346156104 335383097 /nfs/dbraw/zinc/38/30/97/335383097.db2.gz AKRSONGXDJGWEB-YOEHRIQHSA-N 2 2 301.459 4.088 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346304221 335397884 /nfs/dbraw/zinc/39/78/84/335397884.db2.gz HCDBNCJINHDVKF-SFHVURJKSA-N 2 2 305.425 4.147 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346304221 335397886 /nfs/dbraw/zinc/39/78/86/335397886.db2.gz HCDBNCJINHDVKF-SFHVURJKSA-N 2 2 305.425 4.147 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)CCC2 ZINC000348070644 335545902 /nfs/dbraw/zinc/54/59/02/335545902.db2.gz HFZSGHYLDFIUPY-HIFRSBDPSA-N 2 2 303.837 4.073 20 0 DIADLP Cc1ccc(SCC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000353928301 335600335 /nfs/dbraw/zinc/60/03/35/335600335.db2.gz CEXIVNYVNYYQDM-UHFFFAOYSA-N 2 2 300.471 4.013 20 0 DIADLP c1cn(Cc2ccc(N[C@H]3CC[C@H](c4ccccc4)C3)[nH+]c2)c[nH+]1 ZINC000348836423 335612002 /nfs/dbraw/zinc/61/20/02/335612002.db2.gz WDJNEHMJTWTURN-OALUTQOASA-N 2 2 318.424 4.075 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)c(F)c1 ZINC000536626112 335845688 /nfs/dbraw/zinc/84/56/88/335845688.db2.gz DKDSJCHTGLZQDP-GFCCVEGCSA-N 2 2 307.800 4.027 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000352339130 336213187 /nfs/dbraw/zinc/21/31/87/336213187.db2.gz ZULCYIFQDCPXFN-KRWDZBQOSA-N 2 2 321.424 4.358 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000352339130 336213188 /nfs/dbraw/zinc/21/31/88/336213188.db2.gz ZULCYIFQDCPXFN-KRWDZBQOSA-N 2 2 321.424 4.358 20 0 DIADLP CC(C)C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccs1 ZINC000352765328 336233830 /nfs/dbraw/zinc/23/38/30/336233830.db2.gz MXLVRTYQKBJVDT-AWEZNQCLSA-N 2 2 323.531 4.143 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352794138 336237143 /nfs/dbraw/zinc/23/71/43/336237143.db2.gz UWVRSTIUNPTFRC-SFHVURJKSA-N 2 2 317.502 4.000 20 0 DIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000532448960 336246707 /nfs/dbraw/zinc/24/67/07/336246707.db2.gz DQIPWQAEXBGKPZ-MRXNPFEDSA-N 2 2 321.852 4.066 20 0 DIADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000532461235 336248733 /nfs/dbraw/zinc/24/87/33/336248733.db2.gz MDAICYRGMCCWBR-ZDUSSCGKSA-N 2 2 313.832 4.500 20 0 DIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCn2cc[nH+]c2)cc1C ZINC000532461560 336248832 /nfs/dbraw/zinc/24/88/32/336248832.db2.gz UAVXWDKBMFQUFP-NRFANRHFSA-N 2 2 319.452 4.074 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375262 336261559 /nfs/dbraw/zinc/26/15/59/336261559.db2.gz XFCGLIHBZKUUDH-LXZJYRNTSA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375262 336261560 /nfs/dbraw/zinc/26/15/60/336261560.db2.gz XFCGLIHBZKUUDH-LXZJYRNTSA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1ccccc1 ZINC000580375263 336261639 /nfs/dbraw/zinc/26/16/39/336261639.db2.gz XFCGLIHBZKUUDH-MLYOOKFZSA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1ccccc1 ZINC000580375263 336261640 /nfs/dbraw/zinc/26/16/40/336261640.db2.gz XFCGLIHBZKUUDH-MLYOOKFZSA-N 2 2 300.490 4.127 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000532785684 336271163 /nfs/dbraw/zinc/27/11/63/336271163.db2.gz IFQPMOFTBWZQLZ-ICSRJNTNSA-N 2 2 309.457 4.187 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)cc1 ZINC000324918394 336273774 /nfs/dbraw/zinc/27/37/74/336273774.db2.gz YZEFDSZDUUZKJW-RTWAWAEBSA-N 2 2 322.452 4.195 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)cc1 ZINC000324918394 336273775 /nfs/dbraw/zinc/27/37/75/336273775.db2.gz YZEFDSZDUUZKJW-RTWAWAEBSA-N 2 2 322.452 4.195 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]c2ccsc21 ZINC000301342121 336301612 /nfs/dbraw/zinc/30/16/12/336301612.db2.gz GMKITVKXKIDHAA-UHFFFAOYSA-N 2 2 308.410 4.067 20 0 DIADLP Cc1cc2ccccc2[nH+]c1NC1CC[NH+](C2CCCC2)CC1 ZINC000301724410 336325626 /nfs/dbraw/zinc/32/56/26/336325626.db2.gz OVTPFGHDLANGPW-UHFFFAOYSA-N 2 2 309.457 4.362 20 0 DIADLP Cc1[nH+]c2ccccc2c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000302095204 336348145 /nfs/dbraw/zinc/34/81/45/336348145.db2.gz RONAPDPJWLJPCF-AUUYWEPGSA-N 2 2 320.440 4.136 20 0 DIADLP Cc1[nH+]c2ccccc2c(NCc2[nH+]ccn2CC(C)C)c1C ZINC000302099533 336348490 /nfs/dbraw/zinc/34/84/90/336348490.db2.gz UNSFFSOEAXOOCR-UHFFFAOYSA-N 2 2 308.429 4.316 20 0 DIADLP Cc1ccc2[nH+]ccc(NCc3cn4cc(Cl)ccc4[nH+]3)c2c1 ZINC000302175598 336352417 /nfs/dbraw/zinc/35/24/17/336352417.db2.gz WUJBJSKJBNKJKL-UHFFFAOYSA-N 2 2 322.799 4.456 20 0 DIADLP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000353674856 336433893 /nfs/dbraw/zinc/43/38/93/336433893.db2.gz YJIIXAPBJKCTOU-NRFANRHFSA-N 2 2 317.436 4.017 20 0 DIADLP CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354989457 336490356 /nfs/dbraw/zinc/49/03/56/336490356.db2.gz ZJOKMQQMNBYPHU-OCCSQVGLSA-N 2 2 311.351 4.254 20 0 DIADLP CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359348077 336668694 /nfs/dbraw/zinc/66/86/94/336668694.db2.gz UEUSDHYHYKZHKE-CVEARBPZSA-N 2 2 320.440 4.242 20 0 DIADLP CC(C)CSCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361088771 336737992 /nfs/dbraw/zinc/73/79/92/336737992.db2.gz SGMQNRUOLCUGGA-UHFFFAOYSA-N 2 2 323.550 4.155 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000361483058 336758474 /nfs/dbraw/zinc/75/84/74/336758474.db2.gz BUYAHYVIDZQSNP-HXUWFJFHSA-N 2 2 321.424 4.122 20 0 DIADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000361492448 336759106 /nfs/dbraw/zinc/75/91/06/336759106.db2.gz IBZQQVNHBYSCHM-GOSISDBHSA-N 2 2 321.424 4.269 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000361714476 336769687 /nfs/dbraw/zinc/76/96/87/336769687.db2.gz QQQSJKNKMHYCND-RDJZCZTQSA-N 2 2 323.440 4.446 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000361714475 336769689 /nfs/dbraw/zinc/76/96/89/336769689.db2.gz QQQSJKNKMHYCND-NVXWUHKLSA-N 2 2 323.440 4.446 20 0 DIADLP c1[nH]cc(C2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[nH+]1 ZINC000369341050 336862924 /nfs/dbraw/zinc/86/29/24/336862924.db2.gz BOEDZSHNFVPNNU-UHFFFAOYSA-N 2 2 315.420 4.359 20 0 DIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CCCCCC3)C2)CC1 ZINC000373491267 336962268 /nfs/dbraw/zinc/96/22/68/336962268.db2.gz UQJKAXIDRMKVPR-UHFFFAOYSA-N 2 2 318.427 4.104 20 0 DIADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000582454061 337055105 /nfs/dbraw/zinc/05/51/05/337055105.db2.gz LIZBXUVFUTYGME-ROUUACIJSA-N 2 2 319.452 4.213 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798944 337061465 /nfs/dbraw/zinc/06/14/65/337061465.db2.gz OTMIXEXWTDIPRW-MFKMUULPSA-N 2 2 315.804 4.017 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798944 337061466 /nfs/dbraw/zinc/06/14/66/337061466.db2.gz OTMIXEXWTDIPRW-MFKMUULPSA-N 2 2 315.804 4.017 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000377964960 337064533 /nfs/dbraw/zinc/06/45/33/337064533.db2.gz WTRSDKVGTNRACW-HOCLYGCPSA-N 2 2 315.486 4.142 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000177936087 337159255 /nfs/dbraw/zinc/15/92/55/337159255.db2.gz LIKYPIQKUKENPI-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP c1[nH]c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000178957242 337166664 /nfs/dbraw/zinc/16/66/64/337166664.db2.gz HUVTYOVBNPCROP-NHCUHLMSSA-N 2 2 317.436 4.361 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000180082583 337173523 /nfs/dbraw/zinc/17/35/23/337173523.db2.gz QALVLXBOTSLWLR-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000191204231 337294966 /nfs/dbraw/zinc/29/49/66/337294966.db2.gz AWZBPEICHURIAW-QGZVFWFLSA-N 2 2 315.486 4.243 20 0 DIADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)c[nH+]1 ZINC000191682538 337300458 /nfs/dbraw/zinc/30/04/58/337300458.db2.gz UNPFAOJNPSXBMK-UHFFFAOYSA-N 2 2 303.409 4.040 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1c(C)noc1C ZINC000192179607 337303761 /nfs/dbraw/zinc/30/37/61/337303761.db2.gz SCEMIEMWIOQZOA-GOSISDBHSA-N 2 2 324.428 4.026 20 0 DIADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000321985556 337309417 /nfs/dbraw/zinc/30/94/17/337309417.db2.gz JZFBNLHCVPMYDP-ZOCIIQOWSA-N 2 2 310.441 4.269 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)c2ccccc21 ZINC000262337141 337452250 /nfs/dbraw/zinc/45/22/50/337452250.db2.gz TYGJBUNZMXYCCV-ZACQAIPSSA-N 2 2 314.429 4.097 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146420 337701650 /nfs/dbraw/zinc/70/16/50/337701650.db2.gz PECOVWJDXRUXDE-QRVBRYPASA-N 2 2 314.379 4.077 20 0 DIADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423296129 337710977 /nfs/dbraw/zinc/71/09/77/337710977.db2.gz GFIFFZVZRGFHRP-CVEARBPZSA-N 2 2 313.445 4.042 20 0 DIADLP Cc1cc([C@@H]([NH2+][C@H](C)C[NH3+])c2cccc(Cl)c2)c(C)s1 ZINC000423336984 337712686 /nfs/dbraw/zinc/71/26/86/337712686.db2.gz VAGANWFSPHNADP-HWPZZCPQSA-N 2 2 308.878 4.045 20 0 DIADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423362228 337714468 /nfs/dbraw/zinc/71/44/68/337714468.db2.gz AZTHHKDRKCNPIO-DVVUODLYSA-N 2 2 319.301 4.020 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527874960 337771093 /nfs/dbraw/zinc/77/10/93/337771093.db2.gz ILRRCNSLZACTDM-KRWDZBQOSA-N 2 2 304.796 4.002 20 0 DIADLP CCc1ccc([C@@H](CC(C)C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000527893496 337772247 /nfs/dbraw/zinc/77/22/47/337772247.db2.gz RCJXIMYEUOEPGU-RTBURBONSA-N 2 2 311.473 4.137 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C1CCC1)C1CCCCC1)CCC2 ZINC000424316892 337819812 /nfs/dbraw/zinc/81/98/12/337819812.db2.gz QNTDISYFCDMDJF-RTBURBONSA-N 2 2 315.505 4.408 20 0 DIADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)noc1C ZINC000090886631 337886764 /nfs/dbraw/zinc/88/67/64/337886764.db2.gz SYFGAQVOSBWIKQ-UGSOOPFHSA-N 2 2 324.428 4.279 20 0 DIADLP C(=C/c1ccccc1)\C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000515712177 337996393 /nfs/dbraw/zinc/99/63/93/337996393.db2.gz PBQYNIVZTFAXRC-XBXARRHUSA-N 2 2 309.457 4.089 20 0 DIADLP CCCOc1ccc2c(c1)CC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000516038542 338002822 /nfs/dbraw/zinc/00/28/22/338002822.db2.gz QFCUBZCJRWUVFV-UHFFFAOYSA-N 2 2 324.468 4.170 20 0 DIADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000426315963 338026670 /nfs/dbraw/zinc/02/66/70/338026670.db2.gz ZPKILBOKMQKYJY-UHFFFAOYSA-N 2 2 312.432 4.067 20 0 DIADLP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528793 338034022 /nfs/dbraw/zinc/03/40/22/338034022.db2.gz HFYUMOYGNHGVHO-SJLPKXTDSA-N 2 2 305.425 4.021 20 0 DIADLP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528793 338034023 /nfs/dbraw/zinc/03/40/23/338034023.db2.gz HFYUMOYGNHGVHO-SJLPKXTDSA-N 2 2 305.425 4.021 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1Cl ZINC000426751136 338040605 /nfs/dbraw/zinc/04/06/05/338040605.db2.gz SXNRCSNDCAQMSB-DGCLKSJQSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(Cl)ccc1Cl ZINC000426751136 338040606 /nfs/dbraw/zinc/04/06/06/338040606.db2.gz SXNRCSNDCAQMSB-DGCLKSJQSA-N 2 2 301.261 4.128 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1oc(C(C)C)nc1C ZINC000428443340 338051826 /nfs/dbraw/zinc/05/18/26/338051826.db2.gz YHUYOQPJWXKBRW-DLBZAZTESA-N 2 2 321.509 4.097 20 0 DIADLP Cc1[nH+]c2ccccc2c(N(C)Cc2cn3c([nH+]2)CCCC3)c1C ZINC000428691718 338058538 /nfs/dbraw/zinc/05/85/38/338058538.db2.gz NLUHZGQCCDANEC-UHFFFAOYSA-N 2 2 320.440 4.021 20 0 DIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000429539968 338083430 /nfs/dbraw/zinc/08/34/30/338083430.db2.gz MKKMJGBKYZTIGO-INIZCTEOSA-N 2 2 324.896 4.043 20 0 DIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000429539968 338083431 /nfs/dbraw/zinc/08/34/31/338083431.db2.gz MKKMJGBKYZTIGO-INIZCTEOSA-N 2 2 324.896 4.043 20 0 DIADLP Cc1cccc([C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000429721722 338088505 /nfs/dbraw/zinc/08/85/05/338088505.db2.gz RXBPGYJVYYGIPJ-KRWDZBQOSA-N 2 2 310.441 4.303 20 0 DIADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250338 338150964 /nfs/dbraw/zinc/15/09/64/338150964.db2.gz IOLHEIYKBDNWRN-NWDGAFQWSA-N 2 2 319.251 4.095 20 0 DIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748480 338165967 /nfs/dbraw/zinc/16/59/67/338165967.db2.gz UDICPMJXYNPVHQ-LBPRGKRZSA-N 2 2 320.424 4.073 20 0 DIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748480 338165968 /nfs/dbraw/zinc/16/59/68/338165968.db2.gz UDICPMJXYNPVHQ-LBPRGKRZSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748480 338165969 /nfs/dbraw/zinc/16/59/69/338165969.db2.gz UDICPMJXYNPVHQ-LBPRGKRZSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748480 338165970 /nfs/dbraw/zinc/16/59/70/338165970.db2.gz UDICPMJXYNPVHQ-LBPRGKRZSA-N 2 2 320.424 4.073 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751931 338166453 /nfs/dbraw/zinc/16/64/53/338166453.db2.gz GKSJVHISXIICNQ-NEPJUHHUSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751931 338166454 /nfs/dbraw/zinc/16/64/54/338166454.db2.gz GKSJVHISXIICNQ-NEPJUHHUSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751931 338166455 /nfs/dbraw/zinc/16/64/55/338166455.db2.gz GKSJVHISXIICNQ-NEPJUHHUSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751931 338166456 /nfs/dbraw/zinc/16/64/56/338166456.db2.gz GKSJVHISXIICNQ-NEPJUHHUSA-N 2 2 320.424 4.072 20 0 DIADLP Clc1cccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000434490540 338218176 /nfs/dbraw/zinc/21/81/76/338218176.db2.gz YRVQZTSVJLCURF-ZDUSSCGKSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1cccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000434490540 338218177 /nfs/dbraw/zinc/21/81/77/338218177.db2.gz YRVQZTSVJLCURF-ZDUSSCGKSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1ccc(SCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434981503 338228561 /nfs/dbraw/zinc/22/85/61/338228561.db2.gz KQHJXGDMCMBMQB-UHFFFAOYSA-N 2 2 321.877 4.035 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000159288690 338522658 /nfs/dbraw/zinc/52/26/58/338522658.db2.gz PDNCLQHHIJYGCR-SECBINFHSA-N 2 2 307.290 4.190 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([NH2+]CCCc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000436276349 338265191 /nfs/dbraw/zinc/26/51/91/338265191.db2.gz SLFCBRDWIOFJLE-QZTJIDSGSA-N 2 2 319.452 4.421 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1ccc(F)cc1 ZINC000437591638 338315372 /nfs/dbraw/zinc/31/53/72/338315372.db2.gz PIKLVLUNLIZMLU-VIPLHTEESA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1ccc(F)cc1 ZINC000437591638 338315373 /nfs/dbraw/zinc/31/53/73/338315373.db2.gz PIKLVLUNLIZMLU-VIPLHTEESA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591631 338315394 /nfs/dbraw/zinc/31/53/94/338315394.db2.gz PIKLVLUNLIZMLU-PDOICOKGSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591631 338315395 /nfs/dbraw/zinc/31/53/95/338315395.db2.gz PIKLVLUNLIZMLU-PDOICOKGSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591631 338315396 /nfs/dbraw/zinc/31/53/96/338315396.db2.gz PIKLVLUNLIZMLU-PDOICOKGSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591631 338315397 /nfs/dbraw/zinc/31/53/97/338315397.db2.gz PIKLVLUNLIZMLU-PDOICOKGSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000437697879 338318678 /nfs/dbraw/zinc/31/86/78/338318678.db2.gz YFVLWBAGKOTHJP-AZUAARDMSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000437697880 338318702 /nfs/dbraw/zinc/31/87/02/338318702.db2.gz YFVLWBAGKOTHJP-ICSRJNTNSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000437702620 338318812 /nfs/dbraw/zinc/31/88/12/338318812.db2.gz SOVFUCFEAVPYTF-HBMCJLEFSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000437702620 338318813 /nfs/dbraw/zinc/31/88/13/338318813.db2.gz SOVFUCFEAVPYTF-HBMCJLEFSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000438215124 338336805 /nfs/dbraw/zinc/33/68/05/338336805.db2.gz PVQYFFYDYNVLLQ-CTNGQTDRSA-N 2 2 323.484 4.374 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1(c2ccccc2)CC1 ZINC000438268399 338338252 /nfs/dbraw/zinc/33/82/52/338338252.db2.gz DRUDVBKTGJSAMK-UHFFFAOYSA-N 2 2 323.465 4.097 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1(c2ccccc2)CC1 ZINC000438268399 338338253 /nfs/dbraw/zinc/33/82/53/338338253.db2.gz DRUDVBKTGJSAMK-UHFFFAOYSA-N 2 2 323.465 4.097 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2c(s1)CCC2 ZINC000162878742 338421907 /nfs/dbraw/zinc/42/19/07/338421907.db2.gz HDGRNUXVZLNVIV-CQSZACIVSA-N 2 2 315.486 4.175 20 0 DIADLP Cc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1C ZINC000447091511 338545083 /nfs/dbraw/zinc/54/50/83/338545083.db2.gz SKJPYPVLSUGAMV-UHFFFAOYSA-N 2 2 310.441 4.050 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449079350 338591322 /nfs/dbraw/zinc/59/13/22/338591322.db2.gz YHEAYITZJBZFTF-KDOFPFPSSA-N 2 2 315.848 4.151 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCC(CF)CC1 ZINC000451395571 338732581 /nfs/dbraw/zinc/73/25/81/338732581.db2.gz QPGLPPMSGAOZTR-UHFFFAOYSA-N 2 2 317.452 4.197 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(C3CC3)cc2)c[nH+]1 ZINC000459359975 339024454 /nfs/dbraw/zinc/02/44/54/339024454.db2.gz CRMWDTJTFKXSNQ-UHFFFAOYSA-N 2 2 317.436 4.099 20 0 DIADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)c[nH+]1 ZINC000459365693 339024874 /nfs/dbraw/zinc/02/48/74/339024874.db2.gz MCSRNBGPTHQSAI-UHFFFAOYSA-N 2 2 317.436 4.099 20 0 DIADLP C[C@@H](CNc1cc[nH+]c2ccsc21)[N@@H+]1CCc2ccccc2C1 ZINC000462370741 339077178 /nfs/dbraw/zinc/07/71/78/339077178.db2.gz RFACLSVFSOSCKR-AWEZNQCLSA-N 2 2 323.465 4.155 20 0 DIADLP C[C@@H](CNc1cc[nH+]c2ccsc21)[N@H+]1CCc2ccccc2C1 ZINC000462370741 339077179 /nfs/dbraw/zinc/07/71/79/339077179.db2.gz RFACLSVFSOSCKR-AWEZNQCLSA-N 2 2 323.465 4.155 20 0 DIADLP CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000462538447 339080796 /nfs/dbraw/zinc/08/07/96/339080796.db2.gz NVFORCSZAFPIIG-RXVVDRJESA-N 2 2 319.452 4.384 20 0 DIADLP CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000462538448 339080852 /nfs/dbraw/zinc/08/08/52/339080852.db2.gz NVFORCSZAFPIIG-WIYYLYMNSA-N 2 2 319.452 4.384 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3c4ccccc4CCC[C@@H]3C)n2c1 ZINC000462543637 339081026 /nfs/dbraw/zinc/08/10/26/339081026.db2.gz UESXRJTTYWKPBV-KKSFZXQISA-N 2 2 319.452 4.446 20 0 DIADLP Cc1cc(C)cc(-c2ccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cc2)c1 ZINC000462676171 339083963 /nfs/dbraw/zinc/08/39/63/339083963.db2.gz NKOQKNJMVYACHA-SFHVURJKSA-N 2 2 319.452 4.345 20 0 DIADLP Cc1ccc(CCC[NH2+]CCc2ccc(Cl)c(C)c2)c[nH+]1 ZINC000462900638 339096930 /nfs/dbraw/zinc/09/69/30/339096930.db2.gz CQPZKVUKNOOVMN-UHFFFAOYSA-N 2 2 302.849 4.117 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029003 339101640 /nfs/dbraw/zinc/10/16/40/339101640.db2.gz PRZAONFGPKQTJR-HLLBOEOZSA-N 2 2 316.489 4.140 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029003 339101641 /nfs/dbraw/zinc/10/16/41/339101641.db2.gz PRZAONFGPKQTJR-HLLBOEOZSA-N 2 2 316.489 4.140 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029004 339101731 /nfs/dbraw/zinc/10/17/31/339101731.db2.gz PRZAONFGPKQTJR-VYDXJSESSA-N 2 2 316.489 4.140 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029004 339101732 /nfs/dbraw/zinc/10/17/32/339101732.db2.gz PRZAONFGPKQTJR-VYDXJSESSA-N 2 2 316.489 4.140 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463113514 339106323 /nfs/dbraw/zinc/10/63/23/339106323.db2.gz YUVIEYHLHHUHCZ-GOEBONIOSA-N 2 2 320.443 4.208 20 0 DIADLP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463128117 339106638 /nfs/dbraw/zinc/10/66/38/339106638.db2.gz DXWPISWYZYXFTI-HNNXBMFYSA-N 2 2 308.897 4.186 20 0 DIADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788742 339153843 /nfs/dbraw/zinc/15/38/43/339153843.db2.gz LJNVKRVNMBIAPQ-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788742 339153844 /nfs/dbraw/zinc/15/38/44/339153844.db2.gz LJNVKRVNMBIAPQ-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788742 339153845 /nfs/dbraw/zinc/15/38/45/339153845.db2.gz LJNVKRVNMBIAPQ-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788742 339153846 /nfs/dbraw/zinc/15/38/46/339153846.db2.gz LJNVKRVNMBIAPQ-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000468412193 339262326 /nfs/dbraw/zinc/26/23/26/339262326.db2.gz MGJWIESRCVWIRD-SFHVURJKSA-N 2 2 318.505 4.029 20 0 DIADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000468412193 339262327 /nfs/dbraw/zinc/26/23/27/339262327.db2.gz MGJWIESRCVWIRD-SFHVURJKSA-N 2 2 318.505 4.029 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468554443 339266210 /nfs/dbraw/zinc/26/62/10/339266210.db2.gz OFNMJGWGQMVCEL-NXHRZFHOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468554443 339266211 /nfs/dbraw/zinc/26/62/11/339266211.db2.gz OFNMJGWGQMVCEL-NXHRZFHOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468554441 339266227 /nfs/dbraw/zinc/26/62/27/339266227.db2.gz OFNMJGWGQMVCEL-KBAYOESNSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468554441 339266228 /nfs/dbraw/zinc/26/62/28/339266228.db2.gz OFNMJGWGQMVCEL-KBAYOESNSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469740359 339297575 /nfs/dbraw/zinc/29/75/75/339297575.db2.gz XGXKSGWTVKURAK-IIBYNOLFSA-N 2 2 318.420 4.449 20 0 DIADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363151 339318278 /nfs/dbraw/zinc/31/82/78/339318278.db2.gz NHTGDUWDDPIXFE-WMLDXEAASA-N 2 2 306.881 4.050 20 0 DIADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363151 339318279 /nfs/dbraw/zinc/31/82/79/339318279.db2.gz NHTGDUWDDPIXFE-WMLDXEAASA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021634 339334619 /nfs/dbraw/zinc/33/46/19/339334619.db2.gz YTCAACPXEQGIRB-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021634 339334620 /nfs/dbraw/zinc/33/46/20/339334620.db2.gz YTCAACPXEQGIRB-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021634 339334621 /nfs/dbraw/zinc/33/46/21/339334621.db2.gz YTCAACPXEQGIRB-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021634 339334622 /nfs/dbraw/zinc/33/46/22/339334622.db2.gz YTCAACPXEQGIRB-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@@H](c1ccccc1)[NH+](C)C ZINC000471576251 339347787 /nfs/dbraw/zinc/34/77/87/339347787.db2.gz AMLIHOBFQAGEHS-GKCIPKSASA-N 2 2 312.432 4.094 20 0 DIADLP C[C@H](CCc1ccsc1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471609217 339349412 /nfs/dbraw/zinc/34/94/12/339349412.db2.gz IQCCIQFCEQWSHE-GPMSIDNRSA-N 2 2 316.514 4.350 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000472057648 339361492 /nfs/dbraw/zinc/36/14/92/339361492.db2.gz AHNKGVHEQHHTTG-LRGNLBRXSA-N 2 2 308.469 4.071 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059418 339399887 /nfs/dbraw/zinc/39/98/87/339399887.db2.gz SFVKUAPSHGPGDC-QAPCUYQASA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059418 339399888 /nfs/dbraw/zinc/39/98/88/339399888.db2.gz SFVKUAPSHGPGDC-QAPCUYQASA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059414 339399921 /nfs/dbraw/zinc/39/99/21/339399921.db2.gz SFVKUAPSHGPGDC-CRAIPNDOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059414 339399922 /nfs/dbraw/zinc/39/99/22/339399922.db2.gz SFVKUAPSHGPGDC-CRAIPNDOSA-N 2 2 322.443 4.065 20 0 DIADLP Cc1ccc(CCC[NH2+]CCc2cccc(Cl)c2Cl)c[nH+]1 ZINC000474615687 339420088 /nfs/dbraw/zinc/42/00/88/339420088.db2.gz QJPBCUWMIFFZEA-UHFFFAOYSA-N 2 2 323.267 4.462 20 0 DIADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCCCC2 ZINC000474793912 339426199 /nfs/dbraw/zinc/42/61/99/339426199.db2.gz AZOCRUWESOVAKO-RBUKOAKNSA-N 2 2 316.489 4.040 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c[nH+]1 ZINC000474799200 339426724 /nfs/dbraw/zinc/42/67/24/339426724.db2.gz CBEJLJABCOPGDF-FQEVSTJZSA-N 2 2 314.448 4.319 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@@H](c4ccc(F)cc4)C3)n2c1 ZINC000475334186 339447118 /nfs/dbraw/zinc/44/71/18/339447118.db2.gz DEHPKWQJXMAKQV-AEFFLSMTSA-N 2 2 323.415 4.208 20 0 DIADLP Cc1ccc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCC2)o1 ZINC000479511552 339538647 /nfs/dbraw/zinc/53/86/47/339538647.db2.gz PLBKYBMRCYNHLU-FAFZWHIHSA-N 2 2 302.462 4.036 20 0 DIADLP CC(C)[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)ccc1F ZINC000479541720 339540104 /nfs/dbraw/zinc/54/01/04/339540104.db2.gz LQMBECIFAGUNKM-RJYAGPCLSA-N 2 2 322.443 4.268 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000480091336 339558830 /nfs/dbraw/zinc/55/88/30/339558830.db2.gz XAWXEMNLEROAHW-GOSISDBHSA-N 2 2 323.415 4.151 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H](C)CCCC(F)(F)F)[NH+](C)C)cc1 ZINC000480273769 339566551 /nfs/dbraw/zinc/56/65/51/339566551.db2.gz JGBSPRHUQOIHOK-ZBFHGGJFSA-N 2 2 316.411 4.308 20 0 DIADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480521698 339575814 /nfs/dbraw/zinc/57/58/14/339575814.db2.gz BQXJJHCZNRMNQH-IEBWSBKVSA-N 2 2 313.489 4.278 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481048845 339594517 /nfs/dbraw/zinc/59/45/17/339594517.db2.gz VHIMQTCAHZJLMF-HZPDHXFCSA-N 2 2 323.415 4.293 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481644499 339608483 /nfs/dbraw/zinc/60/84/83/339608483.db2.gz LPPSZLPMLTYIGZ-AWEZNQCLSA-N 2 2 322.374 4.172 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc(C)c1F ZINC000483128740 339653126 /nfs/dbraw/zinc/65/31/26/339653126.db2.gz QHRIZZTYLAJJBZ-MRXNPFEDSA-N 2 2 323.415 4.479 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc3c(c1)CCCC3)CCC2 ZINC000483431304 339665391 /nfs/dbraw/zinc/66/53/91/339665391.db2.gz AWEAQQDBLMYEPB-UZLBHIALSA-N 2 2 323.484 4.299 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc4ncsc4c3)c[nH+]c12 ZINC000485694395 339709655 /nfs/dbraw/zinc/70/96/55/339709655.db2.gz JGOVLDFMLPIIPJ-CYBMUJFWSA-N 2 2 322.437 4.103 20 0 DIADLP CCCCC/C(=C/c1ccccc1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494442574 339949252 /nfs/dbraw/zinc/94/92/52/339949252.db2.gz FAJXNTKBHGAZQM-RMWKRFJVSA-N 2 2 323.484 4.451 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000494846902 339962331 /nfs/dbraw/zinc/96/23/31/339962331.db2.gz RXQICMHRPHKDMB-LLVKDONJSA-N 2 2 317.380 4.145 20 0 DIADLP C[C@H](c1ccc2ccccc2c1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000499048867 340028352 /nfs/dbraw/zinc/02/83/52/340028352.db2.gz UHMRZCORMSUSEB-MRXNPFEDSA-N 2 2 305.425 4.262 20 0 DIADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000499048867 340028353 /nfs/dbraw/zinc/02/83/53/340028353.db2.gz UHMRZCORMSUSEB-MRXNPFEDSA-N 2 2 305.425 4.262 20 0 DIADLP CCC1CCC([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000500043769 340049164 /nfs/dbraw/zinc/04/91/64/340049164.db2.gz WRUDAGYTVPYTQR-JCYILVPMSA-N 2 2 306.519 4.443 20 0 DIADLP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000500041073 340049175 /nfs/dbraw/zinc/04/91/75/340049175.db2.gz QKAGDEITWQTOIH-KPFFTGBYSA-N 2 2 316.489 4.000 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000500375754 340055945 /nfs/dbraw/zinc/05/59/45/340055945.db2.gz JCJHNRWXWPTBDE-NUJGCVRESA-N 2 2 322.443 4.237 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000500375754 340055946 /nfs/dbraw/zinc/05/59/46/340055946.db2.gz JCJHNRWXWPTBDE-NUJGCVRESA-N 2 2 322.443 4.237 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440695 340058804 /nfs/dbraw/zinc/05/88/04/340058804.db2.gz NIDSJLPFQMSDJQ-QAPCUYQASA-N 2 2 322.443 4.237 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440695 340058805 /nfs/dbraw/zinc/05/88/05/340058805.db2.gz NIDSJLPFQMSDJQ-QAPCUYQASA-N 2 2 322.443 4.237 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)c[nH+]c12 ZINC000500465314 340059732 /nfs/dbraw/zinc/05/97/32/340059732.db2.gz ZRVOBQNBOHVDCJ-SFHVURJKSA-N 2 2 311.404 4.269 20 0 DIADLP CC[C@H]1C[C@]1([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1cccc(C)c1 ZINC000500496958 340060634 /nfs/dbraw/zinc/06/06/34/340060634.db2.gz JLGOWCGSIJEADY-LAUBAEHRSA-N 2 2 319.452 4.366 20 0 DIADLP Clc1ccccc1-c1ccc(C[NH2+]CC[NH+]2CCCC2)s1 ZINC000500538330 340061777 /nfs/dbraw/zinc/06/17/77/340061777.db2.gz QCAZINMZQUKSCL-UHFFFAOYSA-N 2 2 320.889 4.254 20 0 DIADLP CC(C)OC[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000501446122 340081252 /nfs/dbraw/zinc/08/12/52/340081252.db2.gz SDZUKIRDAMZNBW-MSOLQXFVSA-N 2 2 318.505 4.053 20 0 DIADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321413 340099737 /nfs/dbraw/zinc/09/97/37/340099737.db2.gz NVANNVCEACZKBP-ZAOIQFLMSA-N 2 2 321.468 4.112 20 0 DIADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321413 340099738 /nfs/dbraw/zinc/09/97/38/340099738.db2.gz NVANNVCEACZKBP-ZAOIQFLMSA-N 2 2 321.468 4.112 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000502343981 340100333 /nfs/dbraw/zinc/10/03/33/340100333.db2.gz GRHLNKCIWDOBRI-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000502343981 340100334 /nfs/dbraw/zinc/10/03/34/340100334.db2.gz GRHLNKCIWDOBRI-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502348286 340100415 /nfs/dbraw/zinc/10/04/15/340100415.db2.gz ZSJJYAHOAVOKCL-LJQANCHMSA-N 2 2 323.484 4.161 20 0 DIADLP CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502348286 340100416 /nfs/dbraw/zinc/10/04/16/340100416.db2.gz ZSJJYAHOAVOKCL-LJQANCHMSA-N 2 2 323.484 4.161 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063489 340119998 /nfs/dbraw/zinc/11/99/98/340119998.db2.gz MVUHJHPGPQHIGX-MLGOLLRUSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063489 340119999 /nfs/dbraw/zinc/11/99/99/340119999.db2.gz MVUHJHPGPQHIGX-MLGOLLRUSA-N 2 2 324.255 4.273 20 0 DIADLP CCC(C)(C)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503443715 340128487 /nfs/dbraw/zinc/12/84/87/340128487.db2.gz YKZMDSPDJYSZKX-MRXNPFEDSA-N 2 2 303.494 4.225 20 0 DIADLP CCC(C)(C)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503443715 340128488 /nfs/dbraw/zinc/12/84/88/340128488.db2.gz YKZMDSPDJYSZKX-MRXNPFEDSA-N 2 2 303.494 4.225 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000503561925 340130745 /nfs/dbraw/zinc/13/07/45/340130745.db2.gz HAUDTIAHSATMRN-PMACEKPBSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000503561925 340130746 /nfs/dbraw/zinc/13/07/46/340130746.db2.gz HAUDTIAHSATMRN-PMACEKPBSA-N 2 2 324.443 4.209 20 0 DIADLP c1cc(Oc2ccccc2)oc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000503603922 340132325 /nfs/dbraw/zinc/13/23/25/340132325.db2.gz ZKERKWPQLIVMCJ-UHFFFAOYSA-N 2 2 314.429 4.038 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(C)o1)C1CCC1)CCC2 ZINC000516604333 340218548 /nfs/dbraw/zinc/21/85/48/340218548.db2.gz RTJFIPHQTBPLAX-AEFFLSMTSA-N 2 2 313.445 4.101 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000507468831 340221171 /nfs/dbraw/zinc/22/11/71/340221171.db2.gz ISNKKKYYHOBUGQ-DLBZAZTESA-N 2 2 311.473 4.064 20 0 DIADLP CCCC[C@H](CC)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507512698 340223476 /nfs/dbraw/zinc/22/34/76/340223476.db2.gz QHLJXUSOWGAXJY-AWEZNQCLSA-N 2 2 308.432 4.209 20 0 DIADLP C(=C\[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877727 340234934 /nfs/dbraw/zinc/23/49/34/340234934.db2.gz SUIRRNRDBORNJJ-YUIUBULTSA-N 2 2 303.409 4.012 20 0 DIADLP C(=C\[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877727 340234935 /nfs/dbraw/zinc/23/49/35/340234935.db2.gz SUIRRNRDBORNJJ-YUIUBULTSA-N 2 2 303.409 4.012 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510696919 340307127 /nfs/dbraw/zinc/30/71/27/340307127.db2.gz SIHSDFFNKBNPFO-SJORKVTESA-N 2 2 317.452 4.243 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000510731735 340308558 /nfs/dbraw/zinc/30/85/58/340308558.db2.gz GWGOXQZODCLHOE-GTAWCEEGSA-N 2 2 318.480 4.330 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000510731735 340308559 /nfs/dbraw/zinc/30/85/59/340308559.db2.gz GWGOXQZODCLHOE-GTAWCEEGSA-N 2 2 318.480 4.330 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000511897691 340342423 /nfs/dbraw/zinc/34/24/23/340342423.db2.gz UQUYWQCYGNPRSL-QRWLVFNGSA-N 2 2 308.425 4.214 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196199 340351884 /nfs/dbraw/zinc/35/18/84/340351884.db2.gz NMQNKPOMYSLSOV-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196199 340351885 /nfs/dbraw/zinc/35/18/85/340351885.db2.gz NMQNKPOMYSLSOV-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000512196199 340351886 /nfs/dbraw/zinc/35/18/86/340351886.db2.gz NMQNKPOMYSLSOV-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000512196199 340351887 /nfs/dbraw/zinc/35/18/87/340351887.db2.gz NMQNKPOMYSLSOV-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000512287446 340355476 /nfs/dbraw/zinc/35/54/76/340355476.db2.gz SWJSURMPVKRSIZ-GOSISDBHSA-N 2 2 323.484 4.142 20 0 DIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000512287446 340355477 /nfs/dbraw/zinc/35/54/77/340355477.db2.gz SWJSURMPVKRSIZ-GOSISDBHSA-N 2 2 323.484 4.142 20 0 DIADLP FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000304170935 340361248 /nfs/dbraw/zinc/36/12/48/340361248.db2.gz HEERRIVARFMLQO-QZTJIDSGSA-N 2 2 322.443 4.066 20 0 DIADLP FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000304170935 340361249 /nfs/dbraw/zinc/36/12/49/340361249.db2.gz HEERRIVARFMLQO-QZTJIDSGSA-N 2 2 322.443 4.066 20 0 DIADLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000513233786 340398645 /nfs/dbraw/zinc/39/86/45/340398645.db2.gz OOVVZXVISFNZFU-QGZVFWFLSA-N 2 2 308.897 4.473 20 0 DIADLP CCC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000513320323 340402175 /nfs/dbraw/zinc/40/21/75/340402175.db2.gz BPNMQQSCCKYYLU-UHFFFAOYSA-N 2 2 306.881 4.084 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cs1 ZINC000186342482 340511525 /nfs/dbraw/zinc/51/15/25/340511525.db2.gz KBTHTRDGNNDGIM-ZFWWWQNUSA-N 2 2 311.539 4.284 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1CCSCC1 ZINC000186907555 340516744 /nfs/dbraw/zinc/51/67/44/340516744.db2.gz SIJHPSOISAJFCM-ZBFHGGJFSA-N 2 2 324.559 4.006 20 0 DIADLP c1cc2cccc(C[NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)c2[nH]1 ZINC000236662229 340663431 /nfs/dbraw/zinc/66/34/31/340663431.db2.gz GTHXBUCMJVBWHR-FQEVSTJZSA-N 2 2 319.452 4.095 20 0 DIADLP COc1ccc([C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C2CC2)cc1 ZINC000538062507 340808491 /nfs/dbraw/zinc/80/84/91/340808491.db2.gz LHCQUQBKILYMBS-LJQANCHMSA-N 2 2 316.489 4.000 20 0 DIADLP CC(C)[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000539200821 340875970 /nfs/dbraw/zinc/87/59/70/340875970.db2.gz AJYQYSBDUDODHV-FQEVSTJZSA-N 2 2 307.441 4.482 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CCCC2)o1 ZINC000539393702 340883641 /nfs/dbraw/zinc/88/36/41/340883641.db2.gz ZSPOEXMJTZBGLM-FQEVSTJZSA-N 2 2 323.440 4.299 20 0 DIADLP Clc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000540312781 340926194 /nfs/dbraw/zinc/92/61/94/340926194.db2.gz BVPHLTPUSVLEHI-SFHVURJKSA-N 2 2 315.848 4.278 20 0 DIADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663040 341016039 /nfs/dbraw/zinc/01/60/39/341016039.db2.gz PFBZUDPRQRUMAT-UIFIKXQLSA-N 2 2 323.484 4.175 20 0 DIADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663040 341016040 /nfs/dbraw/zinc/01/60/40/341016040.db2.gz PFBZUDPRQRUMAT-UIFIKXQLSA-N 2 2 323.484 4.175 20 0 DIADLP CCC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(OC)cc1 ZINC000130566900 341028358 /nfs/dbraw/zinc/02/83/58/341028358.db2.gz RXWBFWDSPXXDGN-LJQANCHMSA-N 2 2 323.440 4.016 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644487 341035982 /nfs/dbraw/zinc/03/59/82/341035982.db2.gz QEKSICHQBSPQGF-WOPDTQHZSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644487 341035983 /nfs/dbraw/zinc/03/59/83/341035983.db2.gz QEKSICHQBSPQGF-WOPDTQHZSA-N 2 2 301.261 4.127 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)c1ccccc1 ZINC000543394664 341041902 /nfs/dbraw/zinc/04/19/02/341041902.db2.gz XJIPBPPCEOMEQL-GOEBONIOSA-N 2 2 316.411 4.390 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCCC1 ZINC000543411151 341042894 /nfs/dbraw/zinc/04/28/94/341042894.db2.gz DTPJUBGZHCGOMO-KRWDZBQOSA-N 2 2 311.473 4.380 20 0 DIADLP c1ccc([C@H]2CC[C@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000131127410 341062106 /nfs/dbraw/zinc/06/21/06/341062106.db2.gz GJUKXMNJBITCFD-OALUTQOASA-N 2 2 309.457 4.200 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc2c(c1)CCCC2 ZINC000544942486 341100546 /nfs/dbraw/zinc/10/05/46/341100546.db2.gz YVBQWUVKGPECDU-OAHLLOKOSA-N 2 2 305.425 4.064 20 0 DIADLP CC[NH+]1CCC([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000545275326 341118514 /nfs/dbraw/zinc/11/85/14/341118514.db2.gz ZSLYOHQUIFPAGK-UHFFFAOYSA-N 2 2 313.272 4.056 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000545458564 341125921 /nfs/dbraw/zinc/12/59/21/341125921.db2.gz YWCMYQOLGHCBRJ-BMFZPTHFSA-N 2 2 314.395 4.143 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000545458564 341125922 /nfs/dbraw/zinc/12/59/22/341125922.db2.gz YWCMYQOLGHCBRJ-BMFZPTHFSA-N 2 2 314.395 4.143 20 0 DIADLP Cc1cccc(C)c1[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000545470978 341126590 /nfs/dbraw/zinc/12/65/90/341126590.db2.gz WBWDVFXHSSBDSM-HNNXBMFYSA-N 2 2 311.454 4.401 20 0 DIADLP C[C@@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCc2ccccc21 ZINC000547285342 341203635 /nfs/dbraw/zinc/20/36/35/341203635.db2.gz KINBGTNPHZNAEB-LJQANCHMSA-N 2 2 323.465 4.275 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245564135 341302181 /nfs/dbraw/zinc/30/21/81/341302181.db2.gz DFQUWUKLFCFWCW-LSDHHAIUSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245564135 341302182 /nfs/dbraw/zinc/30/21/82/341302182.db2.gz DFQUWUKLFCFWCW-LSDHHAIUSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245564135 341302183 /nfs/dbraw/zinc/30/21/83/341302183.db2.gz DFQUWUKLFCFWCW-LSDHHAIUSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245564135 341302184 /nfs/dbraw/zinc/30/21/84/341302184.db2.gz DFQUWUKLFCFWCW-LSDHHAIUSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3cc4ccccc4s3)n2c1 ZINC000549876894 341305822 /nfs/dbraw/zinc/30/58/22/341305822.db2.gz XKFCACPNPKMFST-UHFFFAOYSA-N 2 2 321.449 4.190 20 0 DIADLP Clc1ccccc1[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000549936507 341307555 /nfs/dbraw/zinc/30/75/55/341307555.db2.gz DBVQOKSBBKIUAU-HDJSIYSDSA-N 2 2 311.816 4.024 20 0 DIADLP C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C[C@@H]1n1cc[nH+]c1 ZINC000245681997 341309214 /nfs/dbraw/zinc/30/92/14/341309214.db2.gz PGWFKDUMSHTVEN-BVGQSLNGSA-N 2 2 315.848 4.107 20 0 DIADLP C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@@H]1n1cc[nH+]c1 ZINC000245681997 341309215 /nfs/dbraw/zinc/30/92/15/341309215.db2.gz PGWFKDUMSHTVEN-BVGQSLNGSA-N 2 2 315.848 4.107 20 0 DIADLP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1N[C@H](C)c1[nH+]ccn1C ZINC000246212366 341334173 /nfs/dbraw/zinc/33/41/73/341334173.db2.gz XLCXFRRMOZQQKJ-HZPDHXFCSA-N 2 2 312.461 4.280 20 0 DIADLP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1N[C@H](C)c1[nH+]ccn1C ZINC000246212366 341334174 /nfs/dbraw/zinc/33/41/74/341334174.db2.gz XLCXFRRMOZQQKJ-HZPDHXFCSA-N 2 2 312.461 4.280 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC=C(C)CC2)c(C)c1 ZINC000551316517 341338342 /nfs/dbraw/zinc/33/83/42/341338342.db2.gz IGPSKKGNPMKOSK-UYAOXDASSA-N 2 2 309.457 4.330 20 0 DIADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3c[nH+]c4n3CCCC4)oc2c1 ZINC000551574984 341346164 /nfs/dbraw/zinc/34/61/64/341346164.db2.gz ZIXIRUVWUAAFHD-AWEZNQCLSA-N 2 2 309.413 4.125 20 0 DIADLP CC(C[NH+](C)[C@H](C)c1ccco1)C[N@H+](C)[C@H](C)c1ccco1 ZINC000247205643 341362290 /nfs/dbraw/zinc/36/22/90/341362290.db2.gz VGTPIGIPZDDFRD-HZPDHXFCSA-N 2 2 304.434 4.195 20 0 DIADLP CC(C[NH+](C)[C@H](C)c1ccco1)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000247205643 341362291 /nfs/dbraw/zinc/36/22/91/341362291.db2.gz VGTPIGIPZDDFRD-HZPDHXFCSA-N 2 2 304.434 4.195 20 0 DIADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552037865 341363865 /nfs/dbraw/zinc/36/38/65/341363865.db2.gz VVXTYXACEFYMBH-RBUKOAKNSA-N 2 2 320.908 4.329 20 0 DIADLP Cn1c[nH+]c2cc(N[C@H](c3[nH]cc[nH+]3)C3CCCCC3)ccc21 ZINC000552066695 341367053 /nfs/dbraw/zinc/36/70/53/341367053.db2.gz QJAZNIIIYTWPNY-KRWDZBQOSA-N 2 2 309.417 4.030 20 0 DIADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247638331 341368103 /nfs/dbraw/zinc/36/81/03/341368103.db2.gz OHXMYNFDZMSQTO-CKEIUWERSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247638331 341368104 /nfs/dbraw/zinc/36/81/04/341368104.db2.gz OHXMYNFDZMSQTO-CKEIUWERSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247638340 341368147 /nfs/dbraw/zinc/36/81/47/341368147.db2.gz OHXMYNFDZMSQTO-JKIFEVAISA-N 2 2 303.837 4.181 20 0 DIADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247638340 341368148 /nfs/dbraw/zinc/36/81/48/341368148.db2.gz OHXMYNFDZMSQTO-JKIFEVAISA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H]1CC[N@H+](Cc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247699073 341369292 /nfs/dbraw/zinc/36/92/92/341369292.db2.gz UICDMFNNXXZLAK-OXJNMPFZSA-N 2 2 305.425 4.119 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247699073 341369293 /nfs/dbraw/zinc/36/92/93/341369293.db2.gz UICDMFNNXXZLAK-OXJNMPFZSA-N 2 2 305.425 4.119 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000248878649 341389266 /nfs/dbraw/zinc/38/92/66/341389266.db2.gz KEFNHAKEMFWBBT-YUTCNCBUSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000248878649 341389267 /nfs/dbraw/zinc/38/92/67/341389267.db2.gz KEFNHAKEMFWBBT-YUTCNCBUSA-N 2 2 313.272 4.271 20 0 DIADLP c1cn(-c2ccc(C[NH2+]CC3CC(c4ccccc4)C3)cc2)c[nH+]1 ZINC000554918332 341469280 /nfs/dbraw/zinc/46/92/80/341469280.db2.gz JOEQHZCPIDODCZ-UHFFFAOYSA-N 2 2 317.436 4.156 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000555530113 341484382 /nfs/dbraw/zinc/48/43/82/341484382.db2.gz KWAPDMQANACOFR-UHFFFAOYSA-N 2 2 313.832 4.247 20 0 DIADLP Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1C ZINC000152827948 341507462 /nfs/dbraw/zinc/50/74/62/341507462.db2.gz IATYEQYVBPLVOR-QGZVFWFLSA-N 2 2 311.473 4.038 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2Oc2ccccc2)n1C ZINC000565236484 341520872 /nfs/dbraw/zinc/52/08/72/341520872.db2.gz AUSPODOONODYKV-HNNXBMFYSA-N 2 2 321.424 4.372 20 0 DIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156169992 341617723 /nfs/dbraw/zinc/61/77/23/341617723.db2.gz HVNVUFNTGSFWMR-OAHLLOKOSA-N 2 2 323.440 4.163 20 0 DIADLP Clc1cccc2c(NCC3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000569032371 341688750 /nfs/dbraw/zinc/68/87/50/341688750.db2.gz MMTYRFUREWXFBO-UHFFFAOYSA-N 2 2 315.848 4.175 20 0 DIADLP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000575397196 341796062 /nfs/dbraw/zinc/79/60/62/341796062.db2.gz JIAVEFVHFLIUPR-GDBMZVCRSA-N 2 2 320.443 4.352 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000580677396 341896215 /nfs/dbraw/zinc/89/62/15/341896215.db2.gz NLVRDZXLHFKTSW-CQSZACIVSA-N 2 2 320.383 4.275 20 0 DIADLP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(OC)c1 ZINC000156149157 522831873 /nfs/dbraw/zinc/83/18/73/522831873.db2.gz PSTSSVVCPXBAFV-QGZVFWFLSA-N 2 2 323.440 4.245 20 0 DIADLP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181756135 523060534 /nfs/dbraw/zinc/06/05/34/523060534.db2.gz MAYSYZAKGKLWDO-ABSDTBQOSA-N 2 2 315.505 4.165 20 0 DIADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000226332634 524845887 /nfs/dbraw/zinc/84/58/87/524845887.db2.gz XKQZWPFARJYQJK-SDDRHHMPSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000226332634 524845897 /nfs/dbraw/zinc/84/58/97/524845897.db2.gz XKQZWPFARJYQJK-SDDRHHMPSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(C(F)(F)F)c1 ZINC000367439850 525476413 /nfs/dbraw/zinc/47/64/13/525476413.db2.gz XQSPUSCVTCREAR-LBPRGKRZSA-N 2 2 323.362 4.089 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130239767 525644550 /nfs/dbraw/zinc/64/45/50/525644550.db2.gz JHIQKOJAHVNKSM-MRVWCRGKSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130239767 525644561 /nfs/dbraw/zinc/64/45/61/525644561.db2.gz JHIQKOJAHVNKSM-MRVWCRGKSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1c1ccccc1 ZINC000339448852 525847465 /nfs/dbraw/zinc/84/74/65/525847465.db2.gz KIMKTKIDKIANOU-MOPGFXCFSA-N 2 2 323.465 4.217 20 0 DIADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000337986822 526283939 /nfs/dbraw/zinc/28/39/39/526283939.db2.gz JDOHTJOANBDMLU-DOTOQJQBSA-N 2 2 319.399 4.019 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CC(c2ccccc2)C1 ZINC000180715233 527113874 /nfs/dbraw/zinc/11/38/74/527113874.db2.gz LJMMYHOIRLHVFG-UHFFFAOYSA-N 2 2 319.452 4.042 20 0 DIADLP Cc1[nH+]cc(C[NH2+]CC2CCC(F)(F)CC2)n1-c1ccccc1 ZINC000337286947 527269390 /nfs/dbraw/zinc/26/93/90/527269390.db2.gz KTGYPETWDFMGLO-UHFFFAOYSA-N 2 2 319.399 4.096 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000683107521 1035541590 /nfs/dbraw/zinc/54/15/90/1035541590.db2.gz NBCWKFOMIULRFH-SFHVURJKSA-N 2 2 309.457 4.016 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000683224864 1035782685 /nfs/dbraw/zinc/78/26/85/1035782685.db2.gz SBZDTICLGZVIMT-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000683224864 1035782704 /nfs/dbraw/zinc/78/27/04/1035782704.db2.gz SBZDTICLGZVIMT-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000037249365 1035985792 /nfs/dbraw/zinc/98/57/92/1035985792.db2.gz WAZPNNZFGZRNHZ-SNVBAGLBSA-N 2 2 316.207 4.070 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C1CC1)C1CCCCC1 ZINC001167179010 1036246531 /nfs/dbraw/zinc/24/65/31/1036246531.db2.gz SCYUXJUYEFPLLC-UHFFFAOYSA-N 2 2 309.457 4.478 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C1CC1)C1CCCCC1 ZINC001167179010 1036246544 /nfs/dbraw/zinc/24/65/44/1036246544.db2.gz SCYUXJUYEFPLLC-UHFFFAOYSA-N 2 2 309.457 4.478 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCC23CCCC3)c[nH+]1 ZINC000340175627 1036275405 /nfs/dbraw/zinc/27/54/05/1036275405.db2.gz YUUFHYOYVMDTGY-LJQANCHMSA-N 2 2 309.457 4.134 20 0 DIADLP Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001167267488 1036350391 /nfs/dbraw/zinc/35/03/91/1036350391.db2.gz FDTIOMYAEAZHBF-LJQANCHMSA-N 2 2 317.436 4.170 20 0 DIADLP Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001167267488 1036350405 /nfs/dbraw/zinc/35/04/05/1036350405.db2.gz FDTIOMYAEAZHBF-LJQANCHMSA-N 2 2 317.436 4.170 20 0 DIADLP C[C@H]([NH2+]Cc1coc2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340428722 1036597269 /nfs/dbraw/zinc/59/72/69/1036597269.db2.gz URJHEUJDLLYFRM-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000077221159 1036706123 /nfs/dbraw/zinc/70/61/23/1036706123.db2.gz XSFBRZAPMDWSCX-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000077221160 1036706229 /nfs/dbraw/zinc/70/62/29/1036706229.db2.gz XSFBRZAPMDWSCX-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@H](CC[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000580181251 1036988490 /nfs/dbraw/zinc/98/84/90/1036988490.db2.gz SSFDNAHIJPZDKG-QGZVFWFLSA-N 2 2 305.425 4.156 20 0 DIADLP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000580767011 1037295327 /nfs/dbraw/zinc/29/53/27/1037295327.db2.gz PVKPHLLZNVURGL-LJQANCHMSA-N 2 2 317.436 4.032 20 0 DIADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580920990 1037361581 /nfs/dbraw/zinc/36/15/81/1037361581.db2.gz AQHMOHXPDLDJCU-PMACEKPBSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1ccc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979291 1037393146 /nfs/dbraw/zinc/39/31/46/1037393146.db2.gz PADJRARPRAFMIY-LPHOPBHVSA-N 2 2 309.457 4.021 20 0 DIADLP Cc1ccc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979291 1037393167 /nfs/dbraw/zinc/39/31/67/1037393167.db2.gz PADJRARPRAFMIY-LPHOPBHVSA-N 2 2 309.457 4.021 20 0 DIADLP C[C@@H]([NH2+]CCCCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000276279098 1037676388 /nfs/dbraw/zinc/67/63/88/1037676388.db2.gz TYSFDCXSMIADQW-CYBMUJFWSA-N 2 2 311.351 4.256 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000341140435 1037685592 /nfs/dbraw/zinc/68/55/92/1037685592.db2.gz VEQJYVLPRUUOPC-INIZCTEOSA-N 2 2 324.255 4.199 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000341140435 1037685599 /nfs/dbraw/zinc/68/55/99/1037685599.db2.gz VEQJYVLPRUUOPC-INIZCTEOSA-N 2 2 324.255 4.199 20 0 DIADLP CCCC(C)(C)[N@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000558865152 1037808398 /nfs/dbraw/zinc/80/83/98/1037808398.db2.gz ICRQBUNMCPLVOO-UHFFFAOYSA-N 2 2 305.491 4.416 20 0 DIADLP CCCC(C)(C)[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000558865152 1037808413 /nfs/dbraw/zinc/80/84/13/1037808413.db2.gz ICRQBUNMCPLVOO-UHFFFAOYSA-N 2 2 305.491 4.416 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@H]3CCCc4sccc43)c2)c[nH+]1 ZINC000341542479 1038103919 /nfs/dbraw/zinc/10/39/19/1038103919.db2.gz GKJOUBBQTQANLO-HNNXBMFYSA-N 2 2 315.467 4.163 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1sc2ccccc2c1Cl ZINC000535664466 1038278280 /nfs/dbraw/zinc/27/82/80/1038278280.db2.gz BYKQZLCVABYTNM-UHFFFAOYSA-N 2 2 319.861 4.273 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1sc2ccccc2c1Cl ZINC000535664466 1038278293 /nfs/dbraw/zinc/27/82/93/1038278293.db2.gz BYKQZLCVABYTNM-UHFFFAOYSA-N 2 2 319.861 4.273 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000151309135 1038437682 /nfs/dbraw/zinc/43/76/82/1038437682.db2.gz AEEXYZNFXFADIB-OAQYLSRUSA-N 2 2 319.452 4.481 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000151345390 1038437840 /nfs/dbraw/zinc/43/78/40/1038437840.db2.gz VGWGVJXWQUKGRZ-NRFANRHFSA-N 2 2 317.436 4.017 20 0 DIADLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000013991310 1038452958 /nfs/dbraw/zinc/45/29/58/1038452958.db2.gz LQPDHFKWFOYQOR-UHFFFAOYSA-N 2 2 323.415 4.115 20 0 DIADLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000013991310 1038452963 /nfs/dbraw/zinc/45/29/63/1038452963.db2.gz LQPDHFKWFOYQOR-UHFFFAOYSA-N 2 2 323.415 4.115 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1csc(Cl)c1 ZINC000230408312 1038566096 /nfs/dbraw/zinc/56/60/96/1038566096.db2.gz DXXVQWCRGBYVKU-DGCLKSJQSA-N 2 2 311.882 4.364 20 0 DIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(C)ccc1C ZINC000623861314 1038583821 /nfs/dbraw/zinc/58/38/21/1038583821.db2.gz UTYUGVZPIIDGEX-LJQANCHMSA-N 2 2 311.473 4.120 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)s1 ZINC000152227467 1038592104 /nfs/dbraw/zinc/59/21/04/1038592104.db2.gz JXVDNOHPCAOGDH-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1F ZINC000152228841 1038595628 /nfs/dbraw/zinc/59/56/28/1038595628.db2.gz IRMJPXIDMGWJCZ-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000342589808 1038681135 /nfs/dbraw/zinc/68/11/35/1038681135.db2.gz VIDANHCRNPDKRG-NSHDSACASA-N 2 2 312.244 4.191 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000158422395 1038687889 /nfs/dbraw/zinc/68/78/89/1038687889.db2.gz FHSHDNJWFAYOMB-CQSZACIVSA-N 2 2 311.454 4.347 20 0 DIADLP Cc1ccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCC2)cc1 ZINC000647255412 1038711141 /nfs/dbraw/zinc/71/11/41/1038711141.db2.gz ZUDYHRBGOVUSLB-UHFFFAOYSA-N 2 2 323.465 4.411 20 0 DIADLP CCc1ccc([C@@H](CC)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152773502 1038720264 /nfs/dbraw/zinc/72/02/64/1038720264.db2.gz RUBVZXUUUGYKAZ-LJQANCHMSA-N 2 2 311.473 4.065 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1C ZINC000608061354 1038760904 /nfs/dbraw/zinc/76/09/04/1038760904.db2.gz QHDRGCNEVYWJHJ-CZUORRHYSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@H+]1C ZINC000608061354 1038760914 /nfs/dbraw/zinc/76/09/14/1038760914.db2.gz QHDRGCNEVYWJHJ-CZUORRHYSA-N 2 2 318.848 4.172 20 0 DIADLP CCc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000608070199 1038764320 /nfs/dbraw/zinc/76/43/20/1038764320.db2.gz ATWVWOVCEOBQNJ-MRXNPFEDSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000608068938 1038764348 /nfs/dbraw/zinc/76/43/48/1038764348.db2.gz NRHICJFVFIDVAM-HXUWFJFHSA-N 2 2 319.452 4.111 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1 ZINC000608072905 1038764954 /nfs/dbraw/zinc/76/49/54/1038764954.db2.gz MJNYZNPWKHLSIQ-NHHWLVAYSA-N 2 2 317.436 4.007 20 0 DIADLP CC[N@@H+](Cc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608510621 1038871386 /nfs/dbraw/zinc/87/13/86/1038871386.db2.gz RPLHKDPBVZLADV-UHFFFAOYSA-N 2 2 323.484 4.129 20 0 DIADLP CC[N@H+](Cc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000608510621 1038871407 /nfs/dbraw/zinc/87/14/07/1038871407.db2.gz RPLHKDPBVZLADV-UHFFFAOYSA-N 2 2 323.484 4.129 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CC)CC3)o2)cc1 ZINC000608578900 1038890791 /nfs/dbraw/zinc/89/07/91/1038890791.db2.gz SWNASUDQSJMVCH-UHFFFAOYSA-N 2 2 312.457 4.083 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000534328273 1039028536 /nfs/dbraw/zinc/02/85/36/1039028536.db2.gz TWLBHWCRNARXCH-OLZOCXBDSA-N 2 2 312.442 4.049 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000078879794 1039035966 /nfs/dbraw/zinc/03/59/66/1039035966.db2.gz KICXOQLMEQFDEI-OAHLLOKOSA-N 2 2 323.465 4.445 20 0 DIADLP C[NH+]1CCC([N@H+](CC2CCC(F)(F)CC2)C2CCCC2)CC1 ZINC001207351285 1039113748 /nfs/dbraw/zinc/11/37/48/1039113748.db2.gz YZHAMJUMYIBZJE-UHFFFAOYSA-N 2 2 314.464 4.151 20 0 DIADLP C[NH+]1CCC([N@@H+](CC2CCC(F)(F)CC2)C2CCCC2)CC1 ZINC001207351285 1039113759 /nfs/dbraw/zinc/11/37/59/1039113759.db2.gz YZHAMJUMYIBZJE-UHFFFAOYSA-N 2 2 314.464 4.151 20 0 DIADLP Cc1cc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)c1 ZINC000535575550 1039247089 /nfs/dbraw/zinc/24/70/89/1039247089.db2.gz HPZJBUKHKAAPLA-UHFFFAOYSA-N 2 2 309.457 4.083 20 0 DIADLP c1cn(CCC[N@H+](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000343256150 1039349946 /nfs/dbraw/zinc/34/99/46/1039349946.db2.gz YOMZERFESIVJNQ-UHFFFAOYSA-N 2 2 319.452 4.018 20 0 DIADLP c1cn(CCC[N@@H+](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000343256150 1039349963 /nfs/dbraw/zinc/34/99/63/1039349963.db2.gz YOMZERFESIVJNQ-UHFFFAOYSA-N 2 2 319.452 4.018 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(-c2ccccc2)c1 ZINC000151109760 1039427395 /nfs/dbraw/zinc/42/73/95/1039427395.db2.gz GBHJZPOSEDGMQD-KRWDZBQOSA-N 2 2 305.425 4.291 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2cccs2)cc1 ZINC000151113519 1039431240 /nfs/dbraw/zinc/43/12/40/1039431240.db2.gz NKHJXNIKHBCOAC-HNNXBMFYSA-N 2 2 311.454 4.353 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000540172184 1039437337 /nfs/dbraw/zinc/43/73/37/1039437337.db2.gz QWRFKSVTEAZUTL-RPVQJOFSSA-N 2 2 318.461 4.049 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC[N@H+]1C ZINC000540172184 1039437342 /nfs/dbraw/zinc/43/73/42/1039437342.db2.gz QWRFKSVTEAZUTL-RPVQJOFSSA-N 2 2 318.461 4.049 20 0 DIADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151303992 1039538675 /nfs/dbraw/zinc/53/86/75/1039538675.db2.gz KHWAVCNUOJPPPX-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151360828 1039548203 /nfs/dbraw/zinc/54/82/03/1039548203.db2.gz DAQRHUDPCOHVIQ-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP C[C@H]([NH2+]CCCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000541082968 1039619179 /nfs/dbraw/zinc/61/91/79/1039619179.db2.gz OXSRBPHDNFGNIK-KRWDZBQOSA-N 2 2 305.425 4.156 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151709977 1039639532 /nfs/dbraw/zinc/63/95/32/1039639532.db2.gz ZFCWHDLUINEUIB-LSDHHAIUSA-N 2 2 309.388 4.423 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961517 1039692845 /nfs/dbraw/zinc/69/28/45/1039692845.db2.gz HWTULFDPBKNAHX-GOEBONIOSA-N 2 2 303.837 4.394 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961517 1039692855 /nfs/dbraw/zinc/69/28/55/1039692855.db2.gz HWTULFDPBKNAHX-GOEBONIOSA-N 2 2 303.837 4.394 20 0 DIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974155 1039693611 /nfs/dbraw/zinc/69/36/11/1039693611.db2.gz SGBFDTLXLKSODM-ZBFHGGJFSA-N 2 2 322.412 4.005 20 0 DIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974155 1039693620 /nfs/dbraw/zinc/69/36/20/1039693620.db2.gz SGBFDTLXLKSODM-ZBFHGGJFSA-N 2 2 322.412 4.005 20 0 DIADLP C(=C\[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000542132163 1039800646 /nfs/dbraw/zinc/80/06/46/1039800646.db2.gz MSLROGXOHGUPRB-XZVRFQMRSA-N 2 2 315.486 4.293 20 0 DIADLP C(=C\[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000542132163 1039800659 /nfs/dbraw/zinc/80/06/59/1039800659.db2.gz MSLROGXOHGUPRB-XZVRFQMRSA-N 2 2 315.486 4.293 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)[nH]1 ZINC000092071319 1039866730 /nfs/dbraw/zinc/86/67/30/1039866730.db2.gz XFFBSEODFLYEEY-MRXNPFEDSA-N 2 2 307.397 4.049 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)[nH]1 ZINC000092071319 1039866749 /nfs/dbraw/zinc/86/67/49/1039866749.db2.gz XFFBSEODFLYEEY-MRXNPFEDSA-N 2 2 307.397 4.049 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000144756159 1039950543 /nfs/dbraw/zinc/95/05/43/1039950543.db2.gz GQQDVCBVASWLRX-KRWDZBQOSA-N 2 2 321.424 4.416 20 0 DIADLP CCOc1cccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000152239981 1040001785 /nfs/dbraw/zinc/00/17/85/1040001785.db2.gz WHIQXTFIYQDMDK-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)[C@H](C)C2 ZINC000493223763 1040139891 /nfs/dbraw/zinc/13/98/91/1040139891.db2.gz CMMIGESYKDFIBL-IIBYNOLFSA-N 2 2 317.436 4.204 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000657979228 1040241931 /nfs/dbraw/zinc/24/19/31/1040241931.db2.gz HMFFZOJSVMUNDE-CTNGQTDRSA-N 2 2 323.484 4.064 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000657979229 1040242115 /nfs/dbraw/zinc/24/21/15/1040242115.db2.gz HMFFZOJSVMUNDE-FPOVZHCZSA-N 2 2 323.484 4.064 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000414106439 1040865898 /nfs/dbraw/zinc/86/58/98/1040865898.db2.gz QXSMTSWVKDYZRK-SNRMKQJTSA-N 2 2 315.505 4.021 20 0 DIADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)[nH]1 ZINC000659997882 1041575898 /nfs/dbraw/zinc/57/58/98/1041575898.db2.gz DSUGSFOCTCMMRW-VQIMIIECSA-N 2 2 309.457 4.173 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)[nH]1 ZINC000660075645 1041600732 /nfs/dbraw/zinc/60/07/32/1041600732.db2.gz CHDVZWSVQDUHBR-BHIYHBOVSA-N 2 2 309.457 4.173 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)[nH]1 ZINC000660075645 1041600733 /nfs/dbraw/zinc/60/07/33/1041600733.db2.gz CHDVZWSVQDUHBR-BHIYHBOVSA-N 2 2 309.457 4.173 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417318624 1041657836 /nfs/dbraw/zinc/65/78/36/1041657836.db2.gz ZFWAGVMZZYFQMV-OWCLPIDISA-N 2 2 315.486 4.117 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C2CC2)cc1 ZINC000417352655 1041661424 /nfs/dbraw/zinc/66/14/24/1041661424.db2.gz GPQUJHHTBUIHBV-INIZCTEOSA-N 2 2 321.468 4.279 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000319216451 1041718405 /nfs/dbraw/zinc/71/84/05/1041718405.db2.gz MMGZPYLNAIHOTL-DLBZAZTESA-N 2 2 303.425 4.178 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000815563256 1041963846 /nfs/dbraw/zinc/96/38/46/1041963846.db2.gz XNRKKPLWZCPZIC-PBHICJAKSA-N 2 2 303.425 4.096 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000815564200 1041964183 /nfs/dbraw/zinc/96/41/83/1041964183.db2.gz BCBLRGHQMWZXCP-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(SC(F)F)cc1 ZINC000817955080 1042131663 /nfs/dbraw/zinc/13/16/63/1042131663.db2.gz QBIUIMNTVSWDQU-LRDDRELGSA-N 2 2 322.424 4.352 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000317225089 1042217364 /nfs/dbraw/zinc/21/73/64/1042217364.db2.gz HZXDDOGZNBDRSD-BLLLJJGKSA-N 2 2 323.843 4.441 20 0 DIADLP C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000606449232 1042277259 /nfs/dbraw/zinc/27/72/59/1042277259.db2.gz QTPNEGSZCVIRQQ-OAHLLOKOSA-N 2 2 321.399 4.131 20 0 DIADLP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000606449232 1042277264 /nfs/dbraw/zinc/27/72/64/1042277264.db2.gz QTPNEGSZCVIRQQ-OAHLLOKOSA-N 2 2 321.399 4.131 20 0 DIADLP CCCC[C@@H](CC(C)C)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246188296 1042289863 /nfs/dbraw/zinc/28/98/63/1042289863.db2.gz DZBCKLIOJUTSKT-GJZGRUSLSA-N 2 2 308.432 4.111 20 0 DIADLP c1cc2c(s1)CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000162898618 1042300838 /nfs/dbraw/zinc/30/08/38/1042300838.db2.gz PJHYPDODFAKWFG-HNNXBMFYSA-N 2 2 301.459 4.002 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000162907568 1042300906 /nfs/dbraw/zinc/30/09/06/1042300906.db2.gz IYDFXTFKYMANEY-QGZVFWFLSA-N 2 2 301.409 4.154 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000822812803 1042302173 /nfs/dbraw/zinc/30/21/73/1042302173.db2.gz NAFRNEGTVYGSIF-JSGCOSHPSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000822836416 1042303043 /nfs/dbraw/zinc/30/30/43/1042303043.db2.gz UDQHZOUZCUODEI-OCCSQVGLSA-N 2 2 324.255 4.107 20 0 DIADLP CSCCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614110067 1042410773 /nfs/dbraw/zinc/41/07/73/1042410773.db2.gz OIHMCQKFSKGUQN-SFHVURJKSA-N 2 2 320.546 4.162 20 0 DIADLP CSCCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614110067 1042410776 /nfs/dbraw/zinc/41/07/76/1042410776.db2.gz OIHMCQKFSKGUQN-SFHVURJKSA-N 2 2 320.546 4.162 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418464 1042415049 /nfs/dbraw/zinc/41/50/49/1042415049.db2.gz NXBOLTLTGKMYAV-ZJUUUORDSA-N 2 2 319.301 4.190 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418464 1042415052 /nfs/dbraw/zinc/41/50/52/1042415052.db2.gz NXBOLTLTGKMYAV-ZJUUUORDSA-N 2 2 319.301 4.190 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053857 1042681537 /nfs/dbraw/zinc/68/15/37/1042681537.db2.gz WUNRFEWPXOFUEV-YXYSEUPNSA-N 2 2 312.501 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053857 1042681538 /nfs/dbraw/zinc/68/15/38/1042681538.db2.gz WUNRFEWPXOFUEV-YXYSEUPNSA-N 2 2 312.501 4.065 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422872888 1042692558 /nfs/dbraw/zinc/69/25/58/1042692558.db2.gz IYXONWNCFRZILZ-FHWLQOOXSA-N 2 2 316.395 4.396 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)c2ccccc21 ZINC000423118755 1042697831 /nfs/dbraw/zinc/69/78/31/1042697831.db2.gz AEEMOJQMNZYWSF-MGPQQGTHSA-N 2 2 304.846 4.123 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239934 1042701964 /nfs/dbraw/zinc/70/19/64/1042701964.db2.gz BVMOZHFCCMEABF-ICSRJNTNSA-N 2 2 319.452 4.143 20 0 DIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000423231968 1042702464 /nfs/dbraw/zinc/70/24/64/1042702464.db2.gz BNMSAVHLPAVXDV-BLLLJJGKSA-N 2 2 308.347 4.056 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](c2cccnc2)C(C)C)cc1 ZINC000423247154 1042703158 /nfs/dbraw/zinc/70/31/58/1042703158.db2.gz QDLZSNAUCQFDHR-PMACEKPBSA-N 2 2 311.473 4.192 20 0 DIADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423296132 1042705725 /nfs/dbraw/zinc/70/57/25/1042705725.db2.gz GFIFFZVZRGFHRP-JKSUJKDBSA-N 2 2 313.445 4.042 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423370553 1042708460 /nfs/dbraw/zinc/70/84/60/1042708460.db2.gz GYZLUHBNSWHJNN-UTLUCORTSA-N 2 2 321.679 4.438 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423370537 1042708507 /nfs/dbraw/zinc/70/85/07/1042708507.db2.gz GYZLUHBNSWHJNN-BBBLOLIVSA-N 2 2 321.679 4.438 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423366349 1042708546 /nfs/dbraw/zinc/70/85/46/1042708546.db2.gz QEXQNSYUDHRPEF-FTRWYGJKSA-N 2 2 324.468 4.011 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1nc(C)cs1 ZINC000924972554 1042752072 /nfs/dbraw/zinc/75/20/72/1042752072.db2.gz HKACNBZJZQDEHQ-MRXNPFEDSA-N 2 2 309.523 4.003 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(F)c1F ZINC000183265182 1043159301 /nfs/dbraw/zinc/15/93/01/1043159301.db2.gz FSAGIHCDZVAEPN-LBPRGKRZSA-N 2 2 322.374 4.016 20 0 DIADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(C)ccn1 ZINC000866241916 1043164004 /nfs/dbraw/zinc/16/40/04/1043164004.db2.gz HLXDFOXBCFBHRY-IBGZPJMESA-N 2 2 320.440 4.207 20 0 DIADLP C[C@H]([NH2+]Cc1coc2ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000121601657 1043250375 /nfs/dbraw/zinc/25/03/75/1043250375.db2.gz OXIBBAZVDVDCQW-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427848970 1043307650 /nfs/dbraw/zinc/30/76/50/1043307650.db2.gz YKFXZKVCYMXQEY-IUODEOHRSA-N 2 2 324.255 4.246 20 0 DIADLP Cc1ccncc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854973 1043309427 /nfs/dbraw/zinc/30/94/27/1043309427.db2.gz ROSMPNWDLLDPFH-RXVVDRJESA-N 2 2 323.484 4.095 20 0 DIADLP Cc1ccncc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854973 1043309437 /nfs/dbraw/zinc/30/94/37/1043309437.db2.gz ROSMPNWDLLDPFH-RXVVDRJESA-N 2 2 323.484 4.095 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858095 1043310069 /nfs/dbraw/zinc/31/00/69/1043310069.db2.gz SCHUFUXBWHUKKM-HOCLYGCPSA-N 2 2 315.486 4.049 20 0 DIADLP CC(C)CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427879368 1043310367 /nfs/dbraw/zinc/31/03/67/1043310367.db2.gz SPGYSWQNNGACCS-OALUTQOASA-N 2 2 311.473 4.355 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268740917 1043327276 /nfs/dbraw/zinc/32/72/76/1043327276.db2.gz DDGQFBCOJRUVRM-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268802860 1043333586 /nfs/dbraw/zinc/33/35/86/1043333586.db2.gz IDJHQZNXAXULAJ-LSDHHAIUSA-N 2 2 303.475 4.123 20 0 DIADLP Clc1oc2ccccc2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271207859 1043407414 /nfs/dbraw/zinc/40/74/14/1043407414.db2.gz STQWJDAFCYBEJC-UHFFFAOYSA-N 2 2 315.804 4.189 20 0 DIADLP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000872029609 1043426324 /nfs/dbraw/zinc/42/63/24/1043426324.db2.gz YNCBSOWUIWWBOT-AWEZNQCLSA-N 2 2 311.351 4.083 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000925590760 1043433972 /nfs/dbraw/zinc/43/39/72/1043433972.db2.gz KKWBBZHBXPAJSW-BEFAXECRSA-N 2 2 315.505 4.021 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000442990547 1043464053 /nfs/dbraw/zinc/46/40/53/1043464053.db2.gz IZHIDZYINGGXPK-UHFFFAOYSA-N 2 2 323.362 4.001 20 0 DIADLP Nc1cc[nH+]c(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)c1 ZINC000925772491 1043468769 /nfs/dbraw/zinc/46/87/69/1043468769.db2.gz SJWKFAHHRRLEKP-MRXNPFEDSA-N 2 2 309.438 4.046 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000124065610 1043495689 /nfs/dbraw/zinc/49/56/89/1043495689.db2.gz LADUAJLAPQBTMN-IBGZPJMESA-N 2 2 309.388 4.252 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@@H](C)c3c1cccc3C)CCC2 ZINC000349249309 1043498714 /nfs/dbraw/zinc/49/87/14/1043498714.db2.gz TXTZWCFOAHLYJP-HFTRVMKXSA-N 2 2 309.457 4.215 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)c3c1cccc3C)CCC2 ZINC000349249311 1043500149 /nfs/dbraw/zinc/50/01/49/1043500149.db2.gz TXTZWCFOAHLYJP-UWWQBHOKSA-N 2 2 309.457 4.215 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000873281232 1043530536 /nfs/dbraw/zinc/53/05/36/1043530536.db2.gz HJAURAMPKAEOQE-CHWSQXEVSA-N 2 2 312.360 4.001 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000717988890 1043538863 /nfs/dbraw/zinc/53/88/63/1043538863.db2.gz RXZXYYFAGPCCGJ-AHRSYUTCSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000717988890 1043538868 /nfs/dbraw/zinc/53/88/68/1043538868.db2.gz RXZXYYFAGPCCGJ-AHRSYUTCSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985510 1043539792 /nfs/dbraw/zinc/53/97/92/1043539792.db2.gz FEKSEKVZVUVZBM-QFBILLFUSA-N 2 2 302.506 4.169 20 0 DIADLP C[C@@H](C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985510 1043539803 /nfs/dbraw/zinc/53/98/03/1043539803.db2.gz FEKSEKVZVUVZBM-QFBILLFUSA-N 2 2 302.506 4.169 20 0 DIADLP Cc1cc2cc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)ccc2[nH]1 ZINC000353130440 1043588661 /nfs/dbraw/zinc/58/86/61/1043588661.db2.gz XETCYNYGOFBIDM-UHFFFAOYSA-N 2 2 322.437 4.013 20 0 DIADLP Fc1cccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000353333673 1043600213 /nfs/dbraw/zinc/60/02/13/1043600213.db2.gz SFFHJXXPDRFOKR-SFHVURJKSA-N 2 2 321.399 4.001 20 0 DIADLP Fc1cccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000353333673 1043600219 /nfs/dbraw/zinc/60/02/19/1043600219.db2.gz SFFHJXXPDRFOKR-SFHVURJKSA-N 2 2 321.399 4.001 20 0 DIADLP CCC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ncccc1Cl ZINC000926565810 1043600807 /nfs/dbraw/zinc/60/08/07/1043600807.db2.gz BVXVJVJYJNYDAL-INIZCTEOSA-N 2 2 314.820 4.014 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C)c1 ZINC000353434580 1043606045 /nfs/dbraw/zinc/60/60/45/1043606045.db2.gz JZAMIZBAQLHJQK-NRFANRHFSA-N 2 2 319.452 4.481 20 0 DIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602131 1043606291 /nfs/dbraw/zinc/60/62/91/1043606291.db2.gz HXGWYZGVSOBSLA-DYESRHJHSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602131 1043606298 /nfs/dbraw/zinc/60/62/98/1043606298.db2.gz HXGWYZGVSOBSLA-DYESRHJHSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000353536423 1043616689 /nfs/dbraw/zinc/61/66/89/1043616689.db2.gz XLXZMZMXVMNECB-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000353536423 1043616697 /nfs/dbraw/zinc/61/66/97/1043616697.db2.gz XLXZMZMXVMNECB-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000353536423 1043616705 /nfs/dbraw/zinc/61/67/05/1043616705.db2.gz XLXZMZMXVMNECB-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000353536423 1043616713 /nfs/dbraw/zinc/61/67/13/1043616713.db2.gz XLXZMZMXVMNECB-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000353592371 1043621405 /nfs/dbraw/zinc/62/14/05/1043621405.db2.gz ANFBZGYIPQJENO-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP Clc1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353633042 1043627832 /nfs/dbraw/zinc/62/78/32/1043627832.db2.gz VPDXCDCJERZHCL-NVXWUHKLSA-N 2 2 315.848 4.051 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000353660175 1043629594 /nfs/dbraw/zinc/62/95/94/1043629594.db2.gz MAEMOABDGRCKCY-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000191474344 1043642153 /nfs/dbraw/zinc/64/21/53/1043642153.db2.gz HCHJMZIUDODUEN-CQSZACIVSA-N 2 2 321.415 4.197 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000191474344 1043642157 /nfs/dbraw/zinc/64/21/57/1043642157.db2.gz HCHJMZIUDODUEN-CQSZACIVSA-N 2 2 321.415 4.197 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558969755 1043654471 /nfs/dbraw/zinc/65/44/71/1043654471.db2.gz JSPIVSTZFGSSBZ-CZAAIQMYSA-N 2 2 317.436 4.154 20 0 DIADLP CC(C)C[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157399 1043673020 /nfs/dbraw/zinc/67/30/20/1043673020.db2.gz XGBKUUHIGTWSRF-RBUKOAKNSA-N 2 2 311.473 4.419 20 0 DIADLP CC(C)C[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157399 1043673029 /nfs/dbraw/zinc/67/30/29/1043673029.db2.gz XGBKUUHIGTWSRF-RBUKOAKNSA-N 2 2 311.473 4.419 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](c1ccccc1)C(C)C)CCC2 ZINC000354479123 1043703551 /nfs/dbraw/zinc/70/35/51/1043703551.db2.gz ORBIFPHWPGXYJH-RBUKOAKNSA-N 2 2 311.473 4.098 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354989455 1043734028 /nfs/dbraw/zinc/73/40/28/1043734028.db2.gz ZJOKMQQMNBYPHU-GXTWGEPZSA-N 2 2 311.351 4.254 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000474480156 1043798033 /nfs/dbraw/zinc/79/80/33/1043798033.db2.gz ZHNYZIYYXNQAOV-UXHICEINSA-N 2 2 311.473 4.236 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000877794671 1043801237 /nfs/dbraw/zinc/80/12/37/1043801237.db2.gz PBGSJMZMVJGGJO-UHFFFAOYSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCCc3ccccc31)CCC2 ZINC000356614539 1043854513 /nfs/dbraw/zinc/85/45/13/1043854513.db2.gz AEYDWZYJRXGTSN-PKOBYXMFSA-N 2 2 309.457 4.126 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474797437 1043921258 /nfs/dbraw/zinc/92/12/58/1043921258.db2.gz RWCKGEDKOYYFDJ-ZWKOTPCHSA-N 2 2 324.553 4.070 20 0 DIADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000290142612 1043922773 /nfs/dbraw/zinc/92/27/73/1043922773.db2.gz CFYAGDZLPHPEBU-OKZBNKHCSA-N 2 2 317.521 4.411 20 0 DIADLP Cc1cc(CNc2cc[nH+]c3ccsc32)cc(N2CCCC2)[nH+]1 ZINC000357610922 1043968408 /nfs/dbraw/zinc/96/84/08/1043968408.db2.gz SYAMGKQFSIGGJS-UHFFFAOYSA-N 2 2 324.453 4.212 20 0 DIADLP C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358240716 1044040363 /nfs/dbraw/zinc/04/03/63/1044040363.db2.gz RQPBKCCPZXMYCK-KDOFPFPSSA-N 2 2 321.449 4.370 20 0 DIADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)s1 ZINC000880572179 1044047739 /nfs/dbraw/zinc/04/77/39/1044047739.db2.gz YDAPKINXGSCQTG-GOSISDBHSA-N 2 2 311.454 4.093 20 0 DIADLP c1cn(C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)c2ccccc2)c[nH+]1 ZINC000880569603 1044049931 /nfs/dbraw/zinc/04/99/31/1044049931.db2.gz MILRFBRHFWAPQE-NRFANRHFSA-N 2 2 317.436 4.292 20 0 DIADLP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358353263 1044059403 /nfs/dbraw/zinc/05/94/03/1044059403.db2.gz JUSPIEMPBFCIAV-FOIQADDNSA-N 2 2 318.424 4.069 20 0 DIADLP C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358353266 1044059496 /nfs/dbraw/zinc/05/94/96/1044059496.db2.gz JUSPIEMPBFCIAV-YWZLYKJASA-N 2 2 318.424 4.069 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000883194643 1044233157 /nfs/dbraw/zinc/23/31/57/1044233157.db2.gz ZRTPSXDHMTXASZ-QZTJIDSGSA-N 2 2 309.457 4.016 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccs1 ZINC000883386995 1044299642 /nfs/dbraw/zinc/29/96/42/1044299642.db2.gz PXLKKEYARIVVAN-IAGOWNOFSA-N 2 2 311.454 4.427 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccs1 ZINC000883386994 1044299905 /nfs/dbraw/zinc/29/99/05/1044299905.db2.gz PXLKKEYARIVVAN-DLBZAZTESA-N 2 2 311.454 4.427 20 0 DIADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387296 1044301030 /nfs/dbraw/zinc/30/10/30/1044301030.db2.gz VFXKRETWJXNGMN-VQTJNVASSA-N 2 2 321.399 4.041 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386276 1044301321 /nfs/dbraw/zinc/30/13/21/1044301321.db2.gz CSAHYHFJBLPUMC-FXAWDEMLSA-N 2 2 305.425 4.284 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387575 1044302528 /nfs/dbraw/zinc/30/25/28/1044302528.db2.gz ZUXIPIMOHFAEHV-SFTDATJTSA-N 2 2 317.436 4.210 20 0 DIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361492704 1044409777 /nfs/dbraw/zinc/40/97/77/1044409777.db2.gz LCVSLIYSQGHLPK-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000361493034 1044409939 /nfs/dbraw/zinc/40/99/39/1044409939.db2.gz OYUZKXHYQKDGML-FQEVSTJZSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc(F)c1 ZINC000361496958 1044410419 /nfs/dbraw/zinc/41/04/19/1044410419.db2.gz ODGDJMVOBGUVNV-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000566344145 1044482869 /nfs/dbraw/zinc/48/28/69/1044482869.db2.gz OGZGUPLQYXVCRE-SMDDNHRTSA-N 2 2 324.255 4.315 20 0 DIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000566554136 1044497531 /nfs/dbraw/zinc/49/75/31/1044497531.db2.gz MLIIVARATDJXLB-FUHWJXTLSA-N 2 2 309.457 4.058 20 0 DIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000566554135 1044497571 /nfs/dbraw/zinc/49/75/71/1044497571.db2.gz MLIIVARATDJXLB-AEFFLSMTSA-N 2 2 309.457 4.058 20 0 DIADLP CSc1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348319535 1044507995 /nfs/dbraw/zinc/50/79/95/1044507995.db2.gz MPTOCOZBSYSALW-UHFFFAOYSA-N 2 2 323.465 4.226 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000041631393 1044512076 /nfs/dbraw/zinc/51/20/76/1044512076.db2.gz HODBRDIDJSVNGR-CZUORRHYSA-N 2 2 305.491 4.273 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000120842943 1044514589 /nfs/dbraw/zinc/51/45/89/1044514589.db2.gz FEDJNUGUQNWCPX-GFCCVEGCSA-N 2 2 322.374 4.016 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000295592071 1044544290 /nfs/dbraw/zinc/54/42/90/1044544290.db2.gz FGBMYDSFFWTGQD-HZPDHXFCSA-N 2 2 303.494 4.021 20 0 DIADLP Cc1[nH]c(CNc2ccc([NH+]3CCCCCC3)cc2C)[nH+]c1C ZINC000567180769 1044549442 /nfs/dbraw/zinc/54/94/42/1044549442.db2.gz SYNISPIMZFOIKK-UHFFFAOYSA-N 2 2 312.461 4.327 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000295698413 1044552825 /nfs/dbraw/zinc/55/28/25/1044552825.db2.gz MDNYLEGYNRQVGK-NHAYFPRASA-N 2 2 315.505 4.021 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000569013754 1044667160 /nfs/dbraw/zinc/66/71/60/1044667160.db2.gz NHPJRUREBHJMNG-PXNSSMCTSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000569013754 1044667164 /nfs/dbraw/zinc/66/71/64/1044667164.db2.gz NHPJRUREBHJMNG-PXNSSMCTSA-N 2 2 324.443 4.240 20 0 DIADLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)[nH+]c1C ZINC000886668637 1044675867 /nfs/dbraw/zinc/67/58/67/1044675867.db2.gz WQDPJOYGUURVIM-CYBMUJFWSA-N 2 2 319.399 4.245 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)s1)CCC2 ZINC000366207820 1044713816 /nfs/dbraw/zinc/71/38/16/1044713816.db2.gz DGTNUCRVKZCUIQ-VXGBXAGGSA-N 2 2 309.866 4.135 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)CCC2 ZINC000366209539 1044714268 /nfs/dbraw/zinc/71/42/68/1044714268.db2.gz LGTUTCFORWJASY-OLZOCXBDSA-N 2 2 321.827 4.212 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@H]1c1ccccc1 ZINC000570384088 1044753624 /nfs/dbraw/zinc/75/36/24/1044753624.db2.gz YVHLAYCWJOAJCB-PMACEKPBSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@H]1c1ccccc1 ZINC000570384088 1044753641 /nfs/dbraw/zinc/75/36/41/1044753641.db2.gz YVHLAYCWJOAJCB-PMACEKPBSA-N 2 2 324.443 4.240 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccccc2)c1 ZINC000570368709 1044754386 /nfs/dbraw/zinc/75/43/86/1044754386.db2.gz IFVSOPXOZKHQMW-DNVCBOLYSA-N 2 2 317.436 4.285 20 0 DIADLP Cc1ccccc1C(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000570692135 1044774175 /nfs/dbraw/zinc/77/41/75/1044774175.db2.gz LYEUYTABQVNDLD-UHFFFAOYSA-N 2 2 311.454 4.267 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)cn1 ZINC000126300978 1044810524 /nfs/dbraw/zinc/81/05/24/1044810524.db2.gz FRNPJFNXKLRWMM-INIZCTEOSA-N 2 2 320.440 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370671085 1044847171 /nfs/dbraw/zinc/84/71/71/1044847171.db2.gz MAURIGPYBWXFJZ-BPUTZDHNSA-N 2 2 322.880 4.016 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370671085 1044847192 /nfs/dbraw/zinc/84/71/92/1044847192.db2.gz MAURIGPYBWXFJZ-BPUTZDHNSA-N 2 2 322.880 4.016 20 0 DIADLP C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337564417 1044921045 /nfs/dbraw/zinc/92/10/45/1044921045.db2.gz XEVYWSOKXNFVKS-AWEZNQCLSA-N 2 2 319.399 4.348 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000193160457 1044932260 /nfs/dbraw/zinc/93/22/60/1044932260.db2.gz PQEJFXHEGYUIAU-OAQYLSRUSA-N 2 2 308.469 4.077 20 0 DIADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC000193160369 1044937017 /nfs/dbraw/zinc/93/70/17/1044937017.db2.gz DBKGGTJBUNKWMD-NRFANRHFSA-N 2 2 308.469 4.077 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000524979999 1044958583 /nfs/dbraw/zinc/95/85/83/1044958583.db2.gz ILTVVTIDIVTASO-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000524979999 1044958592 /nfs/dbraw/zinc/95/85/92/1044958592.db2.gz ILTVVTIDIVTASO-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000524979999 1044958602 /nfs/dbraw/zinc/95/86/02/1044958602.db2.gz ILTVVTIDIVTASO-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000524979999 1044958614 /nfs/dbraw/zinc/95/86/14/1044958614.db2.gz ILTVVTIDIVTASO-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000524979998 1044959113 /nfs/dbraw/zinc/95/91/13/1044959113.db2.gz ILTVVTIDIVTASO-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000524979998 1044959123 /nfs/dbraw/zinc/95/91/23/1044959123.db2.gz ILTVVTIDIVTASO-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000524979998 1044959131 /nfs/dbraw/zinc/95/91/31/1044959131.db2.gz ILTVVTIDIVTASO-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000524979998 1044959138 /nfs/dbraw/zinc/95/91/38/1044959138.db2.gz ILTVVTIDIVTASO-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373523158 1044985067 /nfs/dbraw/zinc/98/50/67/1044985067.db2.gz ORBGQVYIAOJITN-IUDNXUCKSA-N 2 2 322.880 4.016 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151660319 1045030337 /nfs/dbraw/zinc/03/03/37/1045030337.db2.gz VCBAXMUZGKGLPV-VBKZILBWSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151695696 1045031483 /nfs/dbraw/zinc/03/14/83/1045031483.db2.gz DGKBEEDVQDBESL-JLTOFOAXSA-N 2 2 321.399 4.350 20 0 DIADLP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152267008 1045038617 /nfs/dbraw/zinc/03/86/17/1045038617.db2.gz GERMQTSKMDHJPP-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000446849913 1045052035 /nfs/dbraw/zinc/05/20/35/1045052035.db2.gz SFHRXBCBWCUBMJ-INIZCTEOSA-N 2 2 314.395 4.062 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000374574308 1045072424 /nfs/dbraw/zinc/07/24/24/1045072424.db2.gz GLUJQHRYMJBMLV-RBUKOAKNSA-N 2 2 311.473 4.070 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000447072740 1045095622 /nfs/dbraw/zinc/09/56/22/1045095622.db2.gz NLIKKHYTZBAVMI-UHFFFAOYSA-N 2 2 322.408 4.180 20 0 DIADLP c1cn(CCCC2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)c[nH+]1 ZINC000577425455 1045123249 /nfs/dbraw/zinc/12/32/49/1045123249.db2.gz ODWNFTDLRPCTAL-NHCUHLMSSA-N 2 2 323.484 4.179 20 0 DIADLP Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000577564467 1045137152 /nfs/dbraw/zinc/13/71/52/1045137152.db2.gz HJQJESCYERDSKU-GOSISDBHSA-N 2 2 317.436 4.032 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccns1 ZINC000925081142 1045224073 /nfs/dbraw/zinc/22/40/73/1045224073.db2.gz YIXSUAJPIRNPKP-HUUCEWRRSA-N 2 2 315.486 4.019 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000449200220 1045362158 /nfs/dbraw/zinc/36/21/58/1045362158.db2.gz BKEYYXCRSSCFBS-OXJNMPFZSA-N 2 2 315.505 4.165 20 0 DIADLP Cc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cs1 ZINC000449328155 1045375485 /nfs/dbraw/zinc/37/54/85/1045375485.db2.gz DYQAXSGIYWMSGD-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cs1 ZINC000449328155 1045375487 /nfs/dbraw/zinc/37/54/87/1045375487.db2.gz DYQAXSGIYWMSGD-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP c1coc([C@@H]2[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC23CCC3)c1 ZINC000449634531 1045424509 /nfs/dbraw/zinc/42/45/09/1045424509.db2.gz RUEVRTJNMJIYOQ-IBGZPJMESA-N 2 2 319.408 4.193 20 0 DIADLP c1coc([C@@H]2[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC23CCC3)c1 ZINC000449634531 1045424511 /nfs/dbraw/zinc/42/45/11/1045424511.db2.gz RUEVRTJNMJIYOQ-IBGZPJMESA-N 2 2 319.408 4.193 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528569 1045488538 /nfs/dbraw/zinc/48/85/38/1045488538.db2.gz KCQOHGOXNSRRFG-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528569 1045488541 /nfs/dbraw/zinc/48/85/41/1045488541.db2.gz KCQOHGOXNSRRFG-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528569 1045488542 /nfs/dbraw/zinc/48/85/42/1045488542.db2.gz KCQOHGOXNSRRFG-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528569 1045488543 /nfs/dbraw/zinc/48/85/43/1045488543.db2.gz KCQOHGOXNSRRFG-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000530371829 1045654762 /nfs/dbraw/zinc/65/47/62/1045654762.db2.gz AXPYMCRZWNLAFD-JEYLPNPQSA-N 2 2 322.880 4.016 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662270 1045709250 /nfs/dbraw/zinc/70/92/50/1045709250.db2.gz ROUVQXDRAGKOCW-RDTXWAMCSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662270 1045709254 /nfs/dbraw/zinc/70/92/54/1045709254.db2.gz ROUVQXDRAGKOCW-RDTXWAMCSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662270 1045709262 /nfs/dbraw/zinc/70/92/62/1045709262.db2.gz ROUVQXDRAGKOCW-RDTXWAMCSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662270 1045709267 /nfs/dbraw/zinc/70/92/67/1045709267.db2.gz ROUVQXDRAGKOCW-RDTXWAMCSA-N 2 2 310.432 4.080 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905336 1045750290 /nfs/dbraw/zinc/75/02/90/1045750290.db2.gz KPHIAWVYWQXKRR-STQMWFEESA-N 2 2 322.905 4.469 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000530905336 1045750258 /nfs/dbraw/zinc/75/02/58/1045750258.db2.gz KPHIAWVYWQXKRR-STQMWFEESA-N 2 2 322.905 4.469 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@H+]1C ZINC000530905336 1045750267 /nfs/dbraw/zinc/75/02/67/1045750267.db2.gz KPHIAWVYWQXKRR-STQMWFEESA-N 2 2 322.905 4.469 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905336 1045750277 /nfs/dbraw/zinc/75/02/77/1045750277.db2.gz KPHIAWVYWQXKRR-STQMWFEESA-N 2 2 322.905 4.469 20 0 DIADLP CCSc1ccccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684292 1045896741 /nfs/dbraw/zinc/89/67/41/1045896741.db2.gz YOCYKJNBYNHBGT-OAHLLOKOSA-N 2 2 303.475 4.126 20 0 DIADLP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000902458543 1046000792 /nfs/dbraw/zinc/00/07/92/1046000792.db2.gz VXCWTOFAEIBNHR-SCTDSRPQSA-N 2 2 309.457 4.212 20 0 DIADLP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(F)c1F ZINC001137970028 1046037798 /nfs/dbraw/zinc/03/77/98/1046037798.db2.gz RZFDVCFOGAWYRL-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(F)c1F ZINC001137970028 1046037803 /nfs/dbraw/zinc/03/78/03/1046037803.db2.gz RZFDVCFOGAWYRL-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(F)c1F ZINC001137970028 1046037806 /nfs/dbraw/zinc/03/78/06/1046037806.db2.gz RZFDVCFOGAWYRL-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(F)c1F ZINC001137970028 1046037822 /nfs/dbraw/zinc/03/78/22/1046037822.db2.gz RZFDVCFOGAWYRL-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP COc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000902882844 1046100156 /nfs/dbraw/zinc/10/01/56/1046100156.db2.gz ZWAMVDJXPCQBTH-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894512 1046104388 /nfs/dbraw/zinc/10/43/88/1046104388.db2.gz MCMJEFPRWFQWBN-HOTGVXAUSA-N 2 2 320.440 4.242 20 0 DIADLP C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902913852 1046109655 /nfs/dbraw/zinc/10/96/55/1046109655.db2.gz BDZDBXGWSJZDGY-OAHLLOKOSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-c2ccccc2)o1 ZINC000532212093 1046114369 /nfs/dbraw/zinc/11/43/69/1046114369.db2.gz VFVJKXDTGYYZPE-MRXNPFEDSA-N 2 2 309.413 4.274 20 0 DIADLP c1ccc([C@@H](CC2CC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000532213462 1046116921 /nfs/dbraw/zinc/11/69/21/1046116921.db2.gz IBTVSVAMUQSQFP-LJQANCHMSA-N 2 2 309.457 4.405 20 0 DIADLP CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902953135 1046124620 /nfs/dbraw/zinc/12/46/20/1046124620.db2.gz AHXYUSLIJPQKCX-OCCSQVGLSA-N 2 2 311.351 4.254 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902953136 1046125178 /nfs/dbraw/zinc/12/51/78/1046125178.db2.gz AHXYUSLIJPQKCX-TZMCWYRMSA-N 2 2 311.351 4.254 20 0 DIADLP COc1c(C)cccc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903043254 1046146178 /nfs/dbraw/zinc/14/61/78/1046146178.db2.gz SSOGMZAUGJSBST-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP COc1cccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000903057823 1046151040 /nfs/dbraw/zinc/15/10/40/1046151040.db2.gz AWTHFWATRSIHRE-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1cccc(Cl)c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001138723529 1046159615 /nfs/dbraw/zinc/15/96/15/1046159615.db2.gz SCAJADKJTYXTHV-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1cccc(Cl)c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001138723529 1046159621 /nfs/dbraw/zinc/15/96/21/1046159621.db2.gz SCAJADKJTYXTHV-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)c2ccccc21 ZINC000635006613 1046171627 /nfs/dbraw/zinc/17/16/27/1046171627.db2.gz ZKBGEOLDEUOXKP-STQMWFEESA-N 2 2 312.360 4.001 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)c2ccccc21 ZINC000635006610 1046171642 /nfs/dbraw/zinc/17/16/42/1046171642.db2.gz ZKBGEOLDEUOXKP-OLZOCXBDSA-N 2 2 312.360 4.001 20 0 DIADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)s1 ZINC001138569556 1046230554 /nfs/dbraw/zinc/23/05/54/1046230554.db2.gz JSYVEJRJXMAWDB-UHFFFAOYSA-N 2 2 306.519 4.204 20 0 DIADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)s1 ZINC001138569556 1046230558 /nfs/dbraw/zinc/23/05/58/1046230558.db2.gz JSYVEJRJXMAWDB-UHFFFAOYSA-N 2 2 306.519 4.204 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c(C)o1 ZINC000192181280 1046261936 /nfs/dbraw/zinc/26/19/36/1046261936.db2.gz IZWYCXZPIAQVFL-OAHLLOKOSA-N 2 2 309.413 4.241 20 0 DIADLP CC[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccc(C)cc1 ZINC000903384975 1046263444 /nfs/dbraw/zinc/26/34/44/1046263444.db2.gz UHAZUPIWQWNZRC-WOJBJXKFSA-N 2 2 311.473 4.124 20 0 DIADLP C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903428074 1046277297 /nfs/dbraw/zinc/27/72/97/1046277297.db2.gz CSEYUEPZSUHDGS-MGPUTAFESA-N 2 2 318.424 4.069 20 0 DIADLP CC[N@H+](Cc1cc(Cl)ccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001138959932 1046340253 /nfs/dbraw/zinc/34/02/53/1046340253.db2.gz MYAKGOPHYXOQBJ-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CC[N@@H+](Cc1cc(Cl)ccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001138959932 1046340266 /nfs/dbraw/zinc/34/02/66/1046340266.db2.gz MYAKGOPHYXOQBJ-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccs2)s1 ZINC001139020039 1046362363 /nfs/dbraw/zinc/36/23/63/1046362363.db2.gz UGIQHLRYJAWMGX-UHFFFAOYSA-N 2 2 317.483 4.195 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccs2)s1 ZINC001139020039 1046362376 /nfs/dbraw/zinc/36/23/76/1046362376.db2.gz UGIQHLRYJAWMGX-UHFFFAOYSA-N 2 2 317.483 4.195 20 0 DIADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639200622 1046370167 /nfs/dbraw/zinc/37/01/67/1046370167.db2.gz LJBCBNDIAXFWKB-PKOBYXMFSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639200622 1046370174 /nfs/dbraw/zinc/37/01/74/1046370174.db2.gz LJBCBNDIAXFWKB-PKOBYXMFSA-N 2 2 310.441 4.046 20 0 DIADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C1)CCCC2 ZINC000639343153 1046381604 /nfs/dbraw/zinc/38/16/04/1046381604.db2.gz GCFYUYOWWPRRBL-GHTZIAJQSA-N 2 2 321.468 4.303 20 0 DIADLP c1[nH+]c2c(n1[C@H]1CC[N@H+](C3CC3)[C@@H](c3ccccc3)C1)CCCC2 ZINC000639343153 1046381616 /nfs/dbraw/zinc/38/16/16/1046381616.db2.gz GCFYUYOWWPRRBL-GHTZIAJQSA-N 2 2 321.468 4.303 20 0 DIADLP Fc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360165 1046437061 /nfs/dbraw/zinc/43/70/61/1046437061.db2.gz JAELHJAEPCYRLP-HXUWFJFHSA-N 2 2 321.399 4.349 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@@H+]1C ZINC000677655323 1046509858 /nfs/dbraw/zinc/50/98/58/1046509858.db2.gz ZSOGMWMBLLFYBA-DGFSRKRXSA-N 2 2 313.272 4.053 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@H+]1C ZINC000677655323 1046509862 /nfs/dbraw/zinc/50/98/62/1046509862.db2.gz ZSOGMWMBLLFYBA-DGFSRKRXSA-N 2 2 313.272 4.053 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2oc3ccccc3c2c1 ZINC001139754995 1046513354 /nfs/dbraw/zinc/51/33/54/1046513354.db2.gz RRCAPDJBBLNDME-UHFFFAOYSA-N 2 2 319.408 4.305 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2oc3ccccc3c2c1 ZINC001139754995 1046513367 /nfs/dbraw/zinc/51/33/67/1046513367.db2.gz RRCAPDJBBLNDME-UHFFFAOYSA-N 2 2 319.408 4.305 20 0 DIADLP Clc1oc2ccccc2c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000677748276 1046521514 /nfs/dbraw/zinc/52/15/14/1046521514.db2.gz JOIZWPVEUPWQQE-UHFFFAOYSA-N 2 2 318.848 4.050 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CC1(OC)CCC1)c1ccccc1 ZINC000429359609 1046530371 /nfs/dbraw/zinc/53/03/71/1046530371.db2.gz BTFBPSKJASVBRT-HKUYNNGSSA-N 2 2 318.505 4.007 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CCCC2)CC1 ZINC001140020990 1046568282 /nfs/dbraw/zinc/56/82/82/1046568282.db2.gz GTCXOXZVLSGFSU-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001140021216 1046568401 /nfs/dbraw/zinc/56/84/01/1046568401.db2.gz KCMIEJQSSSTMDV-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001140021216 1046568414 /nfs/dbraw/zinc/56/84/14/1046568414.db2.gz KCMIEJQSSSTMDV-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCc2ccccc2C1 ZINC001140028085 1046573160 /nfs/dbraw/zinc/57/31/60/1046573160.db2.gz KCGAKHXOEXOWPI-UHFFFAOYSA-N 2 2 317.436 4.129 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCc2ccccc2C1 ZINC001140028085 1046573174 /nfs/dbraw/zinc/57/31/74/1046573174.db2.gz KCGAKHXOEXOWPI-UHFFFAOYSA-N 2 2 317.436 4.129 20 0 DIADLP C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc(-n2cc[nH+]c2)c1 ZINC000237502266 1046596074 /nfs/dbraw/zinc/59/60/74/1046596074.db2.gz ODHNZGFWPAKGLM-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377490 1046600145 /nfs/dbraw/zinc/60/01/45/1046600145.db2.gz MEPQJMXBWDCFAK-SYYKKAFVSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377490 1046600153 /nfs/dbraw/zinc/60/01/53/1046600153.db2.gz MEPQJMXBWDCFAK-SYYKKAFVSA-N 2 2 322.496 4.465 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000532968541 1046634108 /nfs/dbraw/zinc/63/41/08/1046634108.db2.gz HIJRFUSJZJWLID-KXBFYZLASA-N 2 2 322.443 4.224 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000532968541 1046634113 /nfs/dbraw/zinc/63/41/13/1046634113.db2.gz HIJRFUSJZJWLID-KXBFYZLASA-N 2 2 322.443 4.224 20 0 DIADLP C[C@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000643524949 1046671425 /nfs/dbraw/zinc/67/14/25/1046671425.db2.gz AKVGFWGPAPFYKJ-KUHUBIRLSA-N 2 2 310.466 4.122 20 0 DIADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000678767394 1046696139 /nfs/dbraw/zinc/69/61/39/1046696139.db2.gz INYOZRVLASEMLR-HRAATJIYSA-N 2 2 317.436 4.286 20 0 DIADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000678769035 1046696853 /nfs/dbraw/zinc/69/68/53/1046696853.db2.gz ZGUFDNWHSYBNRW-OXJNMPFZSA-N 2 2 309.457 4.187 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001211989273 1046701571 /nfs/dbraw/zinc/70/15/71/1046701571.db2.gz LZVRGVBCRKYEQX-UHFFFAOYSA-N 2 2 324.472 4.267 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001211991699 1046723194 /nfs/dbraw/zinc/72/31/94/1046723194.db2.gz JJOUTILCZSVJII-UHFFFAOYSA-N 2 2 324.472 4.267 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc(F)c2Cl)C2CCCC2)CC1 ZINC001140563910 1046782576 /nfs/dbraw/zinc/78/25/76/1046782576.db2.gz KDCJMKLKRRMRCF-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc(F)c2Cl)C2CCCC2)CC1 ZINC001140563910 1046782591 /nfs/dbraw/zinc/78/25/91/1046782591.db2.gz KDCJMKLKRRMRCF-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541438 1046863047 /nfs/dbraw/zinc/86/30/47/1046863047.db2.gz ZFMMMRAJFGEYAJ-DZGCQCFKSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541438 1046863071 /nfs/dbraw/zinc/86/30/71/1046863071.db2.gz ZFMMMRAJFGEYAJ-DZGCQCFKSA-N 2 2 323.362 4.035 20 0 DIADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000076901919 1046872169 /nfs/dbraw/zinc/87/21/69/1046872169.db2.gz VWBOJDKDUVDXFN-UHFFFAOYSA-N 2 2 309.388 4.036 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000666785819 1046877968 /nfs/dbraw/zinc/87/79/68/1046877968.db2.gz MHUZEWBXLYEUOU-NRFANRHFSA-N 2 2 319.452 4.148 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1C ZINC000679720994 1046896006 /nfs/dbraw/zinc/89/60/06/1046896006.db2.gz GNIXBRXBLSUJLD-NEPXVJNWSA-N 2 2 311.473 4.118 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(Cl)c1 ZINC001140800158 1046906119 /nfs/dbraw/zinc/90/61/19/1046906119.db2.gz XGCGCLDCFTYJCB-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(Cl)c1 ZINC001140800158 1046906132 /nfs/dbraw/zinc/90/61/32/1046906132.db2.gz XGCGCLDCFTYJCB-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP C[C@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647290504 1046967971 /nfs/dbraw/zinc/96/79/71/1046967971.db2.gz JAXZNBCRAGOCAN-ZDUSSCGKSA-N 2 2 305.372 4.101 20 0 DIADLP CC(C)(C)c1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001141102940 1047012377 /nfs/dbraw/zinc/01/23/77/1047012377.db2.gz VNBNYROVWBTOLX-UHFFFAOYSA-N 2 2 324.468 4.423 20 0 DIADLP CC(C)(C)c1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001141102723 1047014136 /nfs/dbraw/zinc/01/41/36/1047014136.db2.gz LSFPHOQDMLILJL-UHFFFAOYSA-N 2 2 314.517 4.434 20 0 DIADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC001141197559 1047044601 /nfs/dbraw/zinc/04/46/01/1047044601.db2.gz FTEIAMGDXJDPLN-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC001141197559 1047044614 /nfs/dbraw/zinc/04/46/14/1047044614.db2.gz FTEIAMGDXJDPLN-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP c1cn(-c2cccc(C[N@@H+](Cc3ccccc3)C3CCC3)c2)c[nH+]1 ZINC001141243565 1047062111 /nfs/dbraw/zinc/06/21/11/1047062111.db2.gz MUOFBBBJBBTHSZ-UHFFFAOYSA-N 2 2 317.436 4.427 20 0 DIADLP c1cn(-c2cccc(C[N@H+](Cc3ccccc3)C3CCC3)c2)c[nH+]1 ZINC001141243565 1047062127 /nfs/dbraw/zinc/06/21/27/1047062127.db2.gz MUOFBBBJBBTHSZ-UHFFFAOYSA-N 2 2 317.436 4.427 20 0 DIADLP CC(C)[N@H+](Cc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141237814 1047062697 /nfs/dbraw/zinc/06/26/97/1047062697.db2.gz XTAAEQUROCRSDY-UHFFFAOYSA-N 2 2 305.425 4.283 20 0 DIADLP CC(C)[N@@H+](Cc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141237814 1047062710 /nfs/dbraw/zinc/06/27/10/1047062710.db2.gz XTAAEQUROCRSDY-UHFFFAOYSA-N 2 2 305.425 4.283 20 0 DIADLP CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244933 1047065001 /nfs/dbraw/zinc/06/50/01/1047065001.db2.gz XDZBPUKXPLLMLE-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244933 1047065013 /nfs/dbraw/zinc/06/50/13/1047065013.db2.gz XDZBPUKXPLLMLE-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000379621101 1047080791 /nfs/dbraw/zinc/08/07/91/1047080791.db2.gz DZTWHHBRZKLUCC-HOCLYGCPSA-N 2 2 318.848 4.076 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000379621101 1047080807 /nfs/dbraw/zinc/08/08/07/1047080807.db2.gz DZTWHHBRZKLUCC-HOCLYGCPSA-N 2 2 318.848 4.076 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001115859133 1047087410 /nfs/dbraw/zinc/08/74/10/1047087410.db2.gz NRFMZWYDGZBPDI-UHFFFAOYSA-N 2 2 302.506 4.290 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000379641199 1047094049 /nfs/dbraw/zinc/09/40/49/1047094049.db2.gz CVZDRXYUYSPNIM-WBVHZDCISA-N 2 2 300.446 4.149 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000379641199 1047094066 /nfs/dbraw/zinc/09/40/66/1047094066.db2.gz CVZDRXYUYSPNIM-WBVHZDCISA-N 2 2 300.446 4.149 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000536832593 1047113442 /nfs/dbraw/zinc/11/34/42/1047113442.db2.gz JUPAOFCFVGXGSU-HKUYNNGSSA-N 2 2 323.440 4.493 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000682142851 1047178356 /nfs/dbraw/zinc/17/83/56/1047178356.db2.gz WJEWCFRXVNAMGI-APWZRJJASA-N 2 2 305.425 4.092 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001116921026 1047190807 /nfs/dbraw/zinc/19/08/07/1047190807.db2.gz SUGLKCVFJKBFOJ-PBHICJAKSA-N 2 2 317.502 4.371 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141585755 1047204416 /nfs/dbraw/zinc/20/44/16/1047204416.db2.gz CHWPVZLCIRQPCY-UHFFFAOYSA-N 2 2 319.880 4.128 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000396980270 1047205706 /nfs/dbraw/zinc/20/57/06/1047205706.db2.gz VEKDACGOVXJAOD-QWHCGFSZSA-N 2 2 311.351 4.111 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000682732465 1047217506 /nfs/dbraw/zinc/21/75/06/1047217506.db2.gz IZVQQXLCMRFODK-HOCLYGCPSA-N 2 2 302.453 4.053 20 0 DIADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000682732465 1047217516 /nfs/dbraw/zinc/21/75/16/1047217516.db2.gz IZVQQXLCMRFODK-HOCLYGCPSA-N 2 2 302.453 4.053 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000045094644 1047359304 /nfs/dbraw/zinc/35/93/04/1047359304.db2.gz PRZCLVXVWDNRSM-LBPRGKRZSA-N 2 2 312.244 4.321 20 0 DIADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168336146 1047488904 /nfs/dbraw/zinc/48/89/04/1047488904.db2.gz VXYLXFOGYZDAQL-KVZIAJEVSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168336146 1047488907 /nfs/dbraw/zinc/48/89/07/1047488907.db2.gz VXYLXFOGYZDAQL-KVZIAJEVSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC001142852573 1047504346 /nfs/dbraw/zinc/50/43/46/1047504346.db2.gz CVQXDQWGQVBMFG-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC001142852573 1047504350 /nfs/dbraw/zinc/50/43/50/1047504350.db2.gz CVQXDQWGQVBMFG-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090723840 1047509591 /nfs/dbraw/zinc/50/95/91/1047509591.db2.gz AMRDLTHVNKEHPY-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1ccoc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694608 1047577193 /nfs/dbraw/zinc/57/71/93/1047577193.db2.gz OYYCFJPJNPQRKO-VQTJNVASSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694608 1047577194 /nfs/dbraw/zinc/57/71/94/1047577194.db2.gz OYYCFJPJNPQRKO-VQTJNVASSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000537694608 1047577198 /nfs/dbraw/zinc/57/71/98/1047577198.db2.gz OYYCFJPJNPQRKO-VQTJNVASSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000537694608 1047577199 /nfs/dbraw/zinc/57/71/99/1047577199.db2.gz OYYCFJPJNPQRKO-VQTJNVASSA-N 2 2 324.468 4.075 20 0 DIADLP FC(F)(F)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000315560985 1047610998 /nfs/dbraw/zinc/61/09/98/1047610998.db2.gz OGOPFAMHAHTGIP-MRXNPFEDSA-N 2 2 314.395 4.146 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccoc2)c(C)c1 ZINC000537951021 1047647017 /nfs/dbraw/zinc/64/70/17/1047647017.db2.gz WDSKBWNBSHQGDA-APWZRJJASA-N 2 2 309.413 4.185 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000538098741 1047657788 /nfs/dbraw/zinc/65/77/88/1047657788.db2.gz MJMMHUHBDUFPDP-HXUWFJFHSA-N 2 2 309.457 4.323 20 0 DIADLP c1cn(CCC[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c[nH+]1 ZINC000538350540 1047671557 /nfs/dbraw/zinc/67/15/57/1047671557.db2.gz ICVDCHIVNPIGGM-HXUWFJFHSA-N 2 2 311.473 4.008 20 0 DIADLP c1cn(CCC[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)c[nH+]1 ZINC000538350540 1047671561 /nfs/dbraw/zinc/67/15/61/1047671561.db2.gz ICVDCHIVNPIGGM-HXUWFJFHSA-N 2 2 311.473 4.008 20 0 DIADLP Cc1cc(NCc2cccc(C[NH+](C)C)c2)[nH+]c2ccccc12 ZINC001156045035 1047697865 /nfs/dbraw/zinc/69/78/65/1047697865.db2.gz YUJLCABWXYELMA-UHFFFAOYSA-N 2 2 305.425 4.217 20 0 DIADLP Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(C(C)C)[nH+]1 ZINC001156522720 1047715338 /nfs/dbraw/zinc/71/53/38/1047715338.db2.gz FZAJHUWXQKFERZ-IBGZPJMESA-N 2 2 324.472 4.157 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243186 1047743933 /nfs/dbraw/zinc/74/39/33/1047743933.db2.gz JZIGPKZWPIRQAK-MNOVXSKESA-N 2 2 319.251 4.267 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243186 1047743928 /nfs/dbraw/zinc/74/39/28/1047743928.db2.gz JZIGPKZWPIRQAK-MNOVXSKESA-N 2 2 319.251 4.267 20 0 DIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)CC(C)C ZINC000552624664 1047783840 /nfs/dbraw/zinc/78/38/40/1047783840.db2.gz RMZZGLIAIKIARO-QGZVFWFLSA-N 2 2 303.494 4.055 20 0 DIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)CC(C)C ZINC000552624664 1047783845 /nfs/dbraw/zinc/78/38/45/1047783845.db2.gz RMZZGLIAIKIARO-QGZVFWFLSA-N 2 2 303.494 4.055 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c([nH+]1)CCCC2 ZINC001158729673 1047796425 /nfs/dbraw/zinc/79/64/25/1047796425.db2.gz JOKFIQHQLANANH-QGZVFWFLSA-N 2 2 307.441 4.201 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(OC(C)C)cc[nH+]1 ZINC001158738978 1047796584 /nfs/dbraw/zinc/79/65/84/1047796584.db2.gz UGIKKQPDMKQJJB-QGZVFWFLSA-N 2 2 311.429 4.109 20 0 DIADLP CC(C)(C)c1cccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1 ZINC001159261447 1047824913 /nfs/dbraw/zinc/82/49/13/1047824913.db2.gz IXXJGSZKMWICII-UHFFFAOYSA-N 2 2 324.472 4.050 20 0 DIADLP CC[NH+](CC)c1ccc(Nc2cc([C@H]3CCCC[NH2+]3)no2)cc1 ZINC001159313272 1047831940 /nfs/dbraw/zinc/83/19/40/1047831940.db2.gz KWTRGDFDJDRXOR-MRXNPFEDSA-N 2 2 314.433 4.079 20 0 DIADLP CC(C)(C)c1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1 ZINC001159322067 1047833991 /nfs/dbraw/zinc/83/39/91/1047833991.db2.gz YZCLLTFYGGIJPD-UHFFFAOYSA-N 2 2 324.472 4.050 20 0 DIADLP Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)c(C)[nH+]1 ZINC001159392387 1047839769 /nfs/dbraw/zinc/83/97/69/1047839769.db2.gz YWLCVSKBVMSRTP-WQVCFCJDSA-N 2 2 310.445 4.068 20 0 DIADLP c1cn(-c2ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC001159431369 1047842963 /nfs/dbraw/zinc/84/29/63/1047842963.db2.gz ZPVSBSRADSVIFM-LJQANCHMSA-N 2 2 304.397 4.040 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001182872548 1047855434 /nfs/dbraw/zinc/85/54/34/1047855434.db2.gz DNEXRLCBVMBZIP-JBACZVJFSA-N 2 2 314.517 4.341 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917784 1047862281 /nfs/dbraw/zinc/86/22/81/1047862281.db2.gz BZQIQZWMOKIHEI-LIRRHRJNSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917784 1047862291 /nfs/dbraw/zinc/86/22/91/1047862291.db2.gz BZQIQZWMOKIHEI-LIRRHRJNSA-N 2 2 322.443 4.065 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC001197890175 1047893908 /nfs/dbraw/zinc/89/39/08/1047893908.db2.gz BWWCLIBBSBMURV-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001183146439 1047893992 /nfs/dbraw/zinc/89/39/92/1047893992.db2.gz VYOBWDOWXAYUIY-UWVAXJGDSA-N 2 2 300.490 4.208 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001183146439 1047893999 /nfs/dbraw/zinc/89/39/99/1047893999.db2.gz VYOBWDOWXAYUIY-UWVAXJGDSA-N 2 2 300.490 4.208 20 0 DIADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(C)[nH+]c(C(C)C)n3)c2c1 ZINC001160013976 1047968467 /nfs/dbraw/zinc/96/84/67/1047968467.db2.gz ZDHBHIVGAUUACP-CQSZACIVSA-N 2 2 322.456 4.050 20 0 DIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(-c3ccccc3)cc[nH+]1)C2 ZINC001160468789 1048052067 /nfs/dbraw/zinc/05/20/67/1048052067.db2.gz GMQZKMPDZHSRGU-LDLYASANSA-N 2 2 307.441 4.176 20 0 DIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(-c3ccccc3)cc[nH+]1)C2 ZINC001160468789 1048052081 /nfs/dbraw/zinc/05/20/81/1048052081.db2.gz GMQZKMPDZHSRGU-LDLYASANSA-N 2 2 307.441 4.176 20 0 DIADLP C/C=C/C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055857 1048113766 /nfs/dbraw/zinc/11/37/66/1048113766.db2.gz WZYNSKAUXNBIPN-WHLIDYPQSA-N 2 2 309.457 4.359 20 0 DIADLP C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055857 1048113774 /nfs/dbraw/zinc/11/37/74/1048113774.db2.gz WZYNSKAUXNBIPN-WHLIDYPQSA-N 2 2 309.457 4.359 20 0 DIADLP CCC[C@H](C)[C@H](CC)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480521696 1048160137 /nfs/dbraw/zinc/16/01/37/1048160137.db2.gz BQXJJHCZNRMNQH-HKUYNNGSSA-N 2 2 313.489 4.278 20 0 DIADLP c1ccc(NCCC[NH2+]Cc2cccc(C3CCCC3)c2)[nH+]c1 ZINC001200902519 1048162227 /nfs/dbraw/zinc/16/22/27/1048162227.db2.gz TVYBLFNGXPZUTD-UHFFFAOYSA-N 2 2 309.457 4.331 20 0 DIADLP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000480771957 1048241828 /nfs/dbraw/zinc/24/18/28/1048241828.db2.gz CSEHFABFMDISAQ-IAGOWNOFSA-N 2 2 315.461 4.047 20 0 DIADLP Cc1c[nH+]c(NCC[PH+](C(C)C)C(C)C)nc1NC1CC1 ZINC001162359040 1048267246 /nfs/dbraw/zinc/26/72/46/1048267246.db2.gz XNSQULFBIPVEDX-UHFFFAOYSA-N 2 2 308.410 4.070 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1sccc1Cl ZINC001205347128 1048270608 /nfs/dbraw/zinc/27/06/08/1048270608.db2.gz HECCVBKKGRMCFG-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1sccc1Cl ZINC001205347128 1048270616 /nfs/dbraw/zinc/27/06/16/1048270616.db2.gz HECCVBKKGRMCFG-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1sccc1Cl ZINC001205347128 1048270624 /nfs/dbraw/zinc/27/06/24/1048270624.db2.gz HECCVBKKGRMCFG-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC001205347128 1048270634 /nfs/dbraw/zinc/27/06/34/1048270634.db2.gz HECCVBKKGRMCFG-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP c1cn2c(cccc2Nc2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC001175361141 1048277504 /nfs/dbraw/zinc/27/75/04/1048277504.db2.gz FRMGOZVDTXLGOA-UHFFFAOYSA-N 2 2 306.413 4.064 20 0 DIADLP CCC[C@@H](C)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001201553158 1048307780 /nfs/dbraw/zinc/30/77/80/1048307780.db2.gz IIWJXMJOCGETSV-MRXNPFEDSA-N 2 2 306.469 4.158 20 0 DIADLP CCC[C@@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001201553158 1048307788 /nfs/dbraw/zinc/30/77/88/1048307788.db2.gz IIWJXMJOCGETSV-MRXNPFEDSA-N 2 2 306.469 4.158 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001201566921 1048320379 /nfs/dbraw/zinc/32/03/79/1048320379.db2.gz QEOFJOPJEKEMNY-PFRQMTDMSA-N 2 2 315.505 4.021 20 0 DIADLP CCC[N@H+](CC)C[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001186632480 1048326604 /nfs/dbraw/zinc/32/66/04/1048326604.db2.gz AGYCMKBKMXQEGW-HNNXBMFYSA-N 2 2 306.498 4.256 20 0 DIADLP CCC[N@@H+](CC)C[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001186632480 1048326619 /nfs/dbraw/zinc/32/66/19/1048326619.db2.gz AGYCMKBKMXQEGW-HNNXBMFYSA-N 2 2 306.498 4.256 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cccc(F)c2)c(C)c1 ZINC001201600499 1048329239 /nfs/dbraw/zinc/32/92/39/1048329239.db2.gz KZKWXZDPFMOPSK-FQEVSTJZSA-N 2 2 323.415 4.170 20 0 DIADLP CSc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001201851246 1048381080 /nfs/dbraw/zinc/38/10/80/1048381080.db2.gz SHPHLRBXBRSHFC-CYBMUJFWSA-N 2 2 313.426 4.038 20 0 DIADLP CCCCc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)cc(C)[nH+]1 ZINC001162904767 1048383366 /nfs/dbraw/zinc/38/33/66/1048383366.db2.gz ZTQLJMNMPHQMKJ-CQSZACIVSA-N 2 2 308.429 4.091 20 0 DIADLP CC(C)(C)c1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC001175669869 1048414658 /nfs/dbraw/zinc/41/46/58/1048414658.db2.gz VDISRSNBWSQDSO-UHFFFAOYSA-N 2 2 300.490 4.044 20 0 DIADLP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(F)c1F ZINC001143607237 1048420457 /nfs/dbraw/zinc/42/04/57/1048420457.db2.gz NNNLDGHCUADMFK-KRWDZBQOSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(F)c1F ZINC001143607237 1048420462 /nfs/dbraw/zinc/42/04/62/1048420462.db2.gz NNNLDGHCUADMFK-KRWDZBQOSA-N 2 2 322.443 4.114 20 0 DIADLP CC(C)(C)CC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001202077841 1048453716 /nfs/dbraw/zinc/45/37/16/1048453716.db2.gz MDTCDXQFSZHRLQ-UHFFFAOYSA-N 2 2 323.440 4.430 20 0 DIADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965928 1048508762 /nfs/dbraw/zinc/50/87/62/1048508762.db2.gz UGRYRFKAFUKLDP-MRXNPFEDSA-N 2 2 304.453 4.227 20 0 DIADLP CC(C)=CCC[C@H](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000482170674 1048567482 /nfs/dbraw/zinc/56/74/82/1048567482.db2.gz PICPZLKAXHTOGF-SFHVURJKSA-N 2 2 315.505 4.413 20 0 DIADLP CC[N@H+](C)c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001176197701 1048596350 /nfs/dbraw/zinc/59/63/50/1048596350.db2.gz YDWXEQOLXRHGTM-UHFFFAOYSA-N 2 2 309.457 4.482 20 0 DIADLP CC[N@@H+](C)c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001176197701 1048596363 /nfs/dbraw/zinc/59/63/63/1048596363.db2.gz YDWXEQOLXRHGTM-UHFFFAOYSA-N 2 2 309.457 4.482 20 0 DIADLP Cc1ccc2c(Nc3ccc(OCC[NH+](C)C)cc3)cccc2[nH+]1 ZINC001176229435 1048610619 /nfs/dbraw/zinc/61/06/19/1048610619.db2.gz SWUBEXGVUMUEOS-UHFFFAOYSA-N 2 2 321.424 4.227 20 0 DIADLP CCC[NH+](CCC)c1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000850340294 1048634316 /nfs/dbraw/zinc/63/43/16/1048634316.db2.gz VPXXBXYHMDDZLC-UHFFFAOYSA-N 2 2 300.450 4.265 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c[nH+]c1C ZINC001164491780 1048634390 /nfs/dbraw/zinc/63/43/90/1048634390.db2.gz GGROGZWRTPXDQG-HLAWJBBLSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c[nH+]c1C ZINC001164491780 1048634398 /nfs/dbraw/zinc/63/43/98/1048634398.db2.gz GGROGZWRTPXDQG-HLAWJBBLSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1C ZINC001164491579 1048634708 /nfs/dbraw/zinc/63/47/08/1048634708.db2.gz FEMOHEJJWFRUKM-HSALFYBXSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1C ZINC001164491579 1048634720 /nfs/dbraw/zinc/63/47/20/1048634720.db2.gz FEMOHEJJWFRUKM-HSALFYBXSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000482683789 1048660004 /nfs/dbraw/zinc/66/00/04/1048660004.db2.gz PJALKAJQPSGUAK-INIZCTEOSA-N 2 2 323.550 4.444 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000482683789 1048660009 /nfs/dbraw/zinc/66/00/09/1048660009.db2.gz PJALKAJQPSGUAK-INIZCTEOSA-N 2 2 323.550 4.444 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000482683795 1048660628 /nfs/dbraw/zinc/66/06/28/1048660628.db2.gz PJALKAJQPSGUAK-MRXNPFEDSA-N 2 2 323.550 4.444 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000482683795 1048660638 /nfs/dbraw/zinc/66/06/38/1048660638.db2.gz PJALKAJQPSGUAK-MRXNPFEDSA-N 2 2 323.550 4.444 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000251604110 1048666750 /nfs/dbraw/zinc/66/67/50/1048666750.db2.gz DGHZFARMTJTKST-HFAKWTLXSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@H](C)c2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000251604110 1048666758 /nfs/dbraw/zinc/66/67/58/1048666758.db2.gz DGHZFARMTJTKST-HFAKWTLXSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251604118 1048666824 /nfs/dbraw/zinc/66/68/24/1048666824.db2.gz DGHZFARMTJTKST-UEKVPHQBSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@H](C)c2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251604118 1048666832 /nfs/dbraw/zinc/66/68/32/1048666832.db2.gz DGHZFARMTJTKST-UEKVPHQBSA-N 2 2 301.261 4.114 20 0 DIADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001204398688 1048726489 /nfs/dbraw/zinc/72/64/89/1048726489.db2.gz LSSYNCZZZIXLHY-UHFFFAOYSA-N 2 2 300.490 4.043 20 0 DIADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001204398688 1048726505 /nfs/dbraw/zinc/72/65/05/1048726505.db2.gz LSSYNCZZZIXLHY-UHFFFAOYSA-N 2 2 300.490 4.043 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000483139249 1048744799 /nfs/dbraw/zinc/74/47/99/1048744799.db2.gz XJRKBUPOHANQBM-MRXNPFEDSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000483144518 1048746856 /nfs/dbraw/zinc/74/68/56/1048746856.db2.gz ZVWKMHZIZBCCMX-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000483156421 1048749207 /nfs/dbraw/zinc/74/92/07/1048749207.db2.gz YXCPYMDXQZORRG-HXUWFJFHSA-N 2 2 317.436 4.385 20 0 DIADLP Cc1c(C)c(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1C ZINC000483206009 1048756960 /nfs/dbraw/zinc/75/69/60/1048756960.db2.gz ZVFNKPVPPYYHIC-UHFFFAOYSA-N 2 2 311.473 4.262 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)CCC2 ZINC000483439147 1048800795 /nfs/dbraw/zinc/80/07/95/1048800795.db2.gz DIMWZPQZBOTNPR-DZJNRPSUSA-N 2 2 303.494 4.119 20 0 DIADLP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000483440538 1048801209 /nfs/dbraw/zinc/80/12/09/1048801209.db2.gz OCDUFMJFXNLPGS-QFBILLFUSA-N 2 2 311.473 4.372 20 0 DIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001176977691 1048809469 /nfs/dbraw/zinc/80/94/69/1048809469.db2.gz NKKKJFBFLLEUPY-UHFFFAOYSA-N 2 2 311.473 4.097 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000483513618 1048813301 /nfs/dbraw/zinc/81/33/01/1048813301.db2.gz NSPBUAHMIFIOCD-QGZVFWFLSA-N 2 2 305.425 4.374 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000483513618 1048813313 /nfs/dbraw/zinc/81/33/13/1048813313.db2.gz NSPBUAHMIFIOCD-QGZVFWFLSA-N 2 2 305.425 4.374 20 0 DIADLP Cc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001203149674 1048813636 /nfs/dbraw/zinc/81/36/36/1048813636.db2.gz SNQZGIQCHFKCAP-KRWDZBQOSA-N 2 2 306.881 4.145 20 0 DIADLP Cc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001203149674 1048813653 /nfs/dbraw/zinc/81/36/53/1048813653.db2.gz SNQZGIQCHFKCAP-KRWDZBQOSA-N 2 2 306.881 4.145 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000483531108 1048816489 /nfs/dbraw/zinc/81/64/89/1048816489.db2.gz LJPXQCFAFINQLM-HNNXBMFYSA-N 2 2 311.454 4.435 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000483531108 1048816496 /nfs/dbraw/zinc/81/64/96/1048816496.db2.gz LJPXQCFAFINQLM-HNNXBMFYSA-N 2 2 311.454 4.435 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](CC)CC)C1 ZINC001177222418 1048849391 /nfs/dbraw/zinc/84/93/91/1048849391.db2.gz JQGFKCGDNVOVIR-NRSPTQNISA-N 2 2 316.533 4.498 20 0 DIADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2C[C@H](c3ccccc3)C[C@H](C)C2)C1 ZINC001177261998 1048860952 /nfs/dbraw/zinc/86/09/52/1048860952.db2.gz NDCBLUQFONOXRH-JYRKZWEQSA-N 2 2 314.517 4.280 20 0 DIADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2C[C@H](c3ccccc3)C[C@H](C)C2)C1 ZINC001177261998 1048860975 /nfs/dbraw/zinc/86/09/75/1048860975.db2.gz NDCBLUQFONOXRH-JYRKZWEQSA-N 2 2 314.517 4.280 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000163344954 1048885633 /nfs/dbraw/zinc/88/56/33/1048885633.db2.gz BIVNRMXXUDESAC-CHWSQXEVSA-N 2 2 305.388 4.009 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000163344698 1048887933 /nfs/dbraw/zinc/88/79/33/1048887933.db2.gz BIVNRMXXUDESAC-OLZOCXBDSA-N 2 2 305.388 4.009 20 0 DIADLP c1cn(-c2ccccc2C[NH2+]C2CCC(C3CCC3)CC2)c[nH+]1 ZINC001177492711 1048901018 /nfs/dbraw/zinc/90/10/18/1048901018.db2.gz UGETZSSEJHCOSG-UHFFFAOYSA-N 2 2 309.457 4.321 20 0 DIADLP CC1(C)CCC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001203471394 1048909125 /nfs/dbraw/zinc/90/91/25/1048909125.db2.gz OECGDLFKKMGBGK-IEBWSBKVSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1Cl ZINC000484316276 1048924502 /nfs/dbraw/zinc/92/45/02/1048924502.db2.gz YOUPGPSHJCHMPE-GFCCVEGCSA-N 2 2 307.800 4.027 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1Cl ZINC000484316278 1048925082 /nfs/dbraw/zinc/92/50/82/1048925082.db2.gz YOUPGPSHJCHMPE-LBPRGKRZSA-N 2 2 307.800 4.027 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001177821881 1048944199 /nfs/dbraw/zinc/94/41/99/1048944199.db2.gz FJWAZOMFVVUFCD-OYNPSCLESA-N 2 2 314.517 4.423 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001177821881 1048944209 /nfs/dbraw/zinc/94/42/09/1048944209.db2.gz FJWAZOMFVVUFCD-OYNPSCLESA-N 2 2 314.517 4.423 20 0 DIADLP c1cc(N2CCCC2)c(Nc2ccc([NH+]3CCCCC3)cc2)c[nH+]1 ZINC001203719089 1048976854 /nfs/dbraw/zinc/97/68/54/1048976854.db2.gz QOVNEPVCCYHIQE-UHFFFAOYSA-N 2 2 322.456 4.416 20 0 DIADLP c1cc(Nc2ccc([NH+]3CCCCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001203719018 1048976992 /nfs/dbraw/zinc/97/69/92/1048976992.db2.gz OXJLDEPSVOISBQ-UHFFFAOYSA-N 2 2 319.412 4.001 20 0 DIADLP Cc1ccc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001203753214 1048990191 /nfs/dbraw/zinc/99/01/91/1048990191.db2.gz YCOUUGFQPUSTGD-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1ccc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001203753214 1048990201 /nfs/dbraw/zinc/99/02/01/1048990201.db2.gz YCOUUGFQPUSTGD-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Clc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203800235 1049000123 /nfs/dbraw/zinc/00/01/23/1049000123.db2.gz NGEUEJKRAUQAJX-GOSISDBHSA-N 2 2 306.881 4.180 20 0 DIADLP Clc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203800235 1049000136 /nfs/dbraw/zinc/00/01/36/1049000136.db2.gz NGEUEJKRAUQAJX-GOSISDBHSA-N 2 2 306.881 4.180 20 0 DIADLP c1cn(-c2ccccc2Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001203806766 1049001879 /nfs/dbraw/zinc/00/18/79/1049001879.db2.gz DVIAVVWCZITAMN-UHFFFAOYSA-N 2 2 318.424 4.212 20 0 DIADLP CC[N@H+](Cc1ccc(Oc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001203945186 1049039868 /nfs/dbraw/zinc/03/98/68/1049039868.db2.gz DHJCZWQFFVJITI-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP CC[N@@H+](Cc1ccc(Oc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001203945186 1049039883 /nfs/dbraw/zinc/03/98/83/1049039883.db2.gz DHJCZWQFFVJITI-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP C[N@H+](Cc1ccc(Oc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001203946897 1049041831 /nfs/dbraw/zinc/04/18/31/1049041831.db2.gz ZSRRFFIBRFJOCQ-UHFFFAOYSA-N 2 2 310.441 4.005 20 0 DIADLP C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001203946897 1049041843 /nfs/dbraw/zinc/04/18/43/1049041843.db2.gz ZSRRFFIBRFJOCQ-UHFFFAOYSA-N 2 2 310.441 4.005 20 0 DIADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000776855813 1049070402 /nfs/dbraw/zinc/07/04/02/1049070402.db2.gz JQAQRAMZOVTPML-INIZCTEOSA-N 2 2 315.505 4.208 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000484923384 1049084570 /nfs/dbraw/zinc/08/45/70/1049084570.db2.gz TVNUNNVKSAZHFS-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000484923384 1049084585 /nfs/dbraw/zinc/08/45/85/1049084585.db2.gz TVNUNNVKSAZHFS-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923384 1049084600 /nfs/dbraw/zinc/08/46/00/1049084600.db2.gz TVNUNNVKSAZHFS-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923384 1049084616 /nfs/dbraw/zinc/08/46/16/1049084616.db2.gz TVNUNNVKSAZHFS-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C ZINC001179044787 1049122029 /nfs/dbraw/zinc/12/20/29/1049122029.db2.gz QDIGCXBEQPMQEQ-DQOYRYKGSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C ZINC001179044787 1049122039 /nfs/dbraw/zinc/12/20/39/1049122039.db2.gz QDIGCXBEQPMQEQ-DQOYRYKGSA-N 2 2 312.501 4.232 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@H](C)c2nccc3ccccc32)CC1 ZINC001204410278 1049157306 /nfs/dbraw/zinc/15/73/06/1049157306.db2.gz CDXMWKVYIOUHQW-MRXNPFEDSA-N 2 2 311.473 4.102 20 0 DIADLP CC(C)c1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001193022876 1049168201 /nfs/dbraw/zinc/16/82/01/1049168201.db2.gz WVRQNPIUFURWGW-UHFFFAOYSA-N 2 2 309.457 4.282 20 0 DIADLP c1cn(Cc2cccc(-c3ccc(C[NH+]4CCCC4)cc3)c2)c[nH+]1 ZINC000857831876 1049199623 /nfs/dbraw/zinc/19/96/23/1049199623.db2.gz DCWRPMJTZRSDQL-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP CCCOc1ccc(C[NH+]2CCC([NH+](CC)CC)CC2)c(C)c1 ZINC001179984712 1049244890 /nfs/dbraw/zinc/24/48/90/1049244890.db2.gz UBDKGZIGAAPQCW-UHFFFAOYSA-N 2 2 318.505 4.090 20 0 DIADLP C[C@H](Cc1cccs1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001180058458 1049268808 /nfs/dbraw/zinc/26/88/08/1049268808.db2.gz RNXABBLKPJHJBE-CYBMUJFWSA-N 2 2 317.483 4.058 20 0 DIADLP C[C@H](Cc1cccs1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001180058458 1049268819 /nfs/dbraw/zinc/26/88/19/1049268819.db2.gz RNXABBLKPJHJBE-CYBMUJFWSA-N 2 2 317.483 4.058 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCCC[C@H]3C[NH3+])ccc21 ZINC001204925000 1049313489 /nfs/dbraw/zinc/31/34/89/1049313489.db2.gz IKRJTVWHDALCRP-KRWDZBQOSA-N 2 2 321.468 4.128 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCCC[C@H]3C[NH3+])ccc21 ZINC001204925000 1049313497 /nfs/dbraw/zinc/31/34/97/1049313497.db2.gz IKRJTVWHDALCRP-KRWDZBQOSA-N 2 2 321.468 4.128 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@](C)([NH3+])C3)ccc21 ZINC001204940461 1049317145 /nfs/dbraw/zinc/31/71/45/1049317145.db2.gz XSEFJSFZSRYNSM-NRFANRHFSA-N 2 2 321.468 4.128 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@](C)([NH3+])C3)ccc21 ZINC001204940461 1049317156 /nfs/dbraw/zinc/31/71/56/1049317156.db2.gz XSEFJSFZSRYNSM-NRFANRHFSA-N 2 2 321.468 4.128 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204937869 1049317179 /nfs/dbraw/zinc/31/71/79/1049317179.db2.gz HVLGSZUPANQAJN-NRFANRHFSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204937869 1049317193 /nfs/dbraw/zinc/31/71/93/1049317193.db2.gz HVLGSZUPANQAJN-NRFANRHFSA-N 2 2 323.484 4.076 20 0 DIADLP Clc1ccsc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001205339380 1049443230 /nfs/dbraw/zinc/44/32/30/1049443230.db2.gz HYUPUBQCXJSNOL-CQSZACIVSA-N 2 2 312.910 4.242 20 0 DIADLP Clc1ccsc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001205339380 1049443241 /nfs/dbraw/zinc/44/32/41/1049443241.db2.gz HYUPUBQCXJSNOL-CQSZACIVSA-N 2 2 312.910 4.242 20 0 DIADLP C[C@@H](CCC(F)(F)F)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001181196458 1049451543 /nfs/dbraw/zinc/45/15/43/1049451543.db2.gz OZKSMSIVYDSEEX-HNNXBMFYSA-N 2 2 320.443 4.353 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2[nH]1 ZINC000775622247 1049455494 /nfs/dbraw/zinc/45/54/94/1049455494.db2.gz SGWFIXAVGCZZCJ-RDTXWAMCSA-N 2 2 310.445 4.130 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001181506266 1049486343 /nfs/dbraw/zinc/48/63/43/1049486343.db2.gz OGQZMISRSHSVCB-AZUAARDMSA-N 2 2 315.505 4.368 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC001205927091 1049605322 /nfs/dbraw/zinc/60/53/22/1049605322.db2.gz USYWMWANBYQHHO-ULQDDVLXSA-N 2 2 312.567 4.007 20 0 DIADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001205932018 1049606933 /nfs/dbraw/zinc/60/69/33/1049606933.db2.gz NFPFTPWDQNJNDF-MRXNPFEDSA-N 2 2 314.860 4.320 20 0 DIADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001205932018 1049606938 /nfs/dbraw/zinc/60/69/38/1049606938.db2.gz NFPFTPWDQNJNDF-MRXNPFEDSA-N 2 2 314.860 4.320 20 0 DIADLP Clc1ccc(Cl)c(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000488186951 1049610982 /nfs/dbraw/zinc/61/09/82/1049610982.db2.gz UNFRZTFJHVPFBO-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP CC1=CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001205980958 1049616453 /nfs/dbraw/zinc/61/64/53/1049616453.db2.gz UGEWVBRTVNJASJ-CQSZACIVSA-N 2 2 301.821 4.114 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2ccccc2c1 ZINC001202512870 1049646643 /nfs/dbraw/zinc/64/66/43/1049646643.db2.gz FBKLQZDCYFHQEO-NRFANRHFSA-N 2 2 310.485 4.440 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2(C)C)s1 ZINC001206256074 1049691686 /nfs/dbraw/zinc/69/16/86/1049691686.db2.gz JJOAKBNONJNNEP-CQSZACIVSA-N 2 2 323.550 4.241 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](CC(C)(C)C)C2(C)C)s1 ZINC001206256074 1049691691 /nfs/dbraw/zinc/69/16/91/1049691691.db2.gz JJOAKBNONJNNEP-CQSZACIVSA-N 2 2 323.550 4.241 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001206478224 1049739854 /nfs/dbraw/zinc/73/98/54/1049739854.db2.gz VZGKKLLSHHEJFA-MISYRCLQSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001206478224 1049739861 /nfs/dbraw/zinc/73/98/61/1049739861.db2.gz VZGKKLLSHHEJFA-MISYRCLQSA-N 2 2 314.517 4.349 20 0 DIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1 ZINC000489320678 1049743348 /nfs/dbraw/zinc/74/33/48/1049743348.db2.gz BHSSFGVRWBKCMG-GOSISDBHSA-N 2 2 323.484 4.381 20 0 DIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1 ZINC000489320678 1049743354 /nfs/dbraw/zinc/74/33/54/1049743354.db2.gz BHSSFGVRWBKCMG-GOSISDBHSA-N 2 2 323.484 4.381 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001206644171 1049774275 /nfs/dbraw/zinc/77/42/75/1049774275.db2.gz DXRIXUNAKTYFKJ-GBESFXJTSA-N 2 2 300.490 4.094 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001206644171 1049774283 /nfs/dbraw/zinc/77/42/83/1049774283.db2.gz DXRIXUNAKTYFKJ-GBESFXJTSA-N 2 2 300.490 4.094 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC001206696724 1049780772 /nfs/dbraw/zinc/78/07/72/1049780772.db2.gz CYAAZIBQXQDARS-NJAFHUGGSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC001206696724 1049780779 /nfs/dbraw/zinc/78/07/79/1049780779.db2.gz CYAAZIBQXQDARS-NJAFHUGGSA-N 2 2 322.443 4.065 20 0 DIADLP CCC1([NH+](C)C)CC[NH+](C/C=C\c2cc(C)c(C)cc2C)CC1 ZINC001207035339 1049823420 /nfs/dbraw/zinc/82/34/20/1049823420.db2.gz OASYUVPVQDCKEV-HJWRWDBZSA-N 2 2 314.517 4.431 20 0 DIADLP c1ccc(C2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001207058237 1049827080 /nfs/dbraw/zinc/82/70/80/1049827080.db2.gz NEKHEENDFXVOOG-GZNCHQMQSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc(C2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC001207058237 1049827096 /nfs/dbraw/zinc/82/70/96/1049827096.db2.gz NEKHEENDFXVOOG-GZNCHQMQSA-N 2 2 312.501 4.319 20 0 DIADLP CC(C)C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571009043 1049919695 /nfs/dbraw/zinc/91/96/95/1049919695.db2.gz FWLKCLKYDDYUDO-DOTOQJQBSA-N 2 2 317.864 4.297 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207936762 1049959644 /nfs/dbraw/zinc/95/96/44/1049959644.db2.gz JKKHEKKBXSYTAL-DUXKGJEZSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207936762 1049959652 /nfs/dbraw/zinc/95/96/52/1049959652.db2.gz JKKHEKKBXSYTAL-DUXKGJEZSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001207936762 1049959660 /nfs/dbraw/zinc/95/96/60/1049959660.db2.gz JKKHEKKBXSYTAL-DUXKGJEZSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001207936762 1049959672 /nfs/dbraw/zinc/95/96/72/1049959672.db2.gz JKKHEKKBXSYTAL-DUXKGJEZSA-N 2 2 314.517 4.015 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC001207937714 1049961210 /nfs/dbraw/zinc/96/12/10/1049961210.db2.gz SWZDZPJATJCRNN-SFHVURJKSA-N 2 2 313.489 4.207 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC001207937714 1049961214 /nfs/dbraw/zinc/96/12/14/1049961214.db2.gz SWZDZPJATJCRNN-SFHVURJKSA-N 2 2 313.489 4.207 20 0 DIADLP CC1=C[C@H](C)[C@H](C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166935 1049980200 /nfs/dbraw/zinc/98/02/00/1049980200.db2.gz CVPYQSILNNRUCQ-ROUUACIJSA-N 2 2 304.522 4.318 20 0 DIADLP CC1=C[C@H](C)[C@H](C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166935 1049980204 /nfs/dbraw/zinc/98/02/04/1049980204.db2.gz CVPYQSILNNRUCQ-ROUUACIJSA-N 2 2 304.522 4.318 20 0 DIADLP Cc1ccc([C@H](C)CC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001208171023 1049981063 /nfs/dbraw/zinc/98/10/63/1049981063.db2.gz YFHWSNBDTRLTIX-MRXNPFEDSA-N 2 2 323.440 4.399 20 0 DIADLP Cc1ccc([C@H](C)CC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001208171023 1049981068 /nfs/dbraw/zinc/98/10/68/1049981068.db2.gz YFHWSNBDTRLTIX-MRXNPFEDSA-N 2 2 323.440 4.399 20 0 DIADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CCCC1 ZINC001208187404 1049982419 /nfs/dbraw/zinc/98/24/19/1049982419.db2.gz JZLVBNHTZXNXKS-QGZVFWFLSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)CCCC1 ZINC001208187404 1049982422 /nfs/dbraw/zinc/98/24/22/1049982422.db2.gz JZLVBNHTZXNXKS-QGZVFWFLSA-N 2 2 322.443 4.224 20 0 DIADLP CC(C)CCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001208737110 1050008233 /nfs/dbraw/zinc/00/82/33/1050008233.db2.gz ULQCIIKOTIVUKE-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP CC(C)CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001208737110 1050008241 /nfs/dbraw/zinc/00/82/41/1050008241.db2.gz ULQCIIKOTIVUKE-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP Clc1ccccc1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209448778 1050060478 /nfs/dbraw/zinc/06/04/78/1050060478.db2.gz HCDNXDYNSSNQBG-SFHVURJKSA-N 2 2 306.881 4.353 20 0 DIADLP Clc1ccccc1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209448778 1050060483 /nfs/dbraw/zinc/06/04/83/1050060483.db2.gz HCDNXDYNSSNQBG-SFHVURJKSA-N 2 2 306.881 4.353 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000590074108 1050074459 /nfs/dbraw/zinc/07/44/59/1050074459.db2.gz UNPGQADAMWPHFJ-HXUWFJFHSA-N 2 2 319.452 4.373 20 0 DIADLP c1cc2cc[nH+]cc2c(Nc2c[nH+]ccc2N2CCCCC2)c1 ZINC001210226490 1050168653 /nfs/dbraw/zinc/16/86/53/1050168653.db2.gz YNJIMXLCDLNSTH-UHFFFAOYSA-N 2 2 304.397 4.364 20 0 DIADLP Cc1ccc(C(F)(F)F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001143680603 1050336643 /nfs/dbraw/zinc/33/66/43/1050336643.db2.gz FKKCNPNSIFZFJV-UHFFFAOYSA-N 2 2 323.362 4.047 20 0 DIADLP Cc1ccc(F)c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000735085094 1050344759 /nfs/dbraw/zinc/34/47/59/1050344759.db2.gz WERLNCOVMTWZPV-UHFFFAOYSA-N 2 2 318.480 4.268 20 0 DIADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CC1(C)C ZINC000785508053 1050383263 /nfs/dbraw/zinc/38/32/63/1050383263.db2.gz MLZMGQURQSFITP-HNAYVOBHSA-N 2 2 315.505 4.064 20 0 DIADLP Cc1[nH]c2ccc(Nc3ccc(-n4cc[nH+]c4C)cc3)cc2[nH+]1 ZINC001213074470 1050576848 /nfs/dbraw/zinc/57/68/48/1050576848.db2.gz WBTPLHYSLMYUHC-UHFFFAOYSA-N 2 2 303.369 4.109 20 0 DIADLP CC(C)CCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170071147 1050581034 /nfs/dbraw/zinc/58/10/34/1050581034.db2.gz KHBFYLZIULJKPX-KZNAEPCWSA-N 2 2 303.494 4.373 20 0 DIADLP CCOc1ccccc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787290484 1050584265 /nfs/dbraw/zinc/58/42/65/1050584265.db2.gz DVVFJIRLEPGYDT-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP c1c[nH+]c(-c2ccc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2)[nH]1 ZINC001213089085 1050585267 /nfs/dbraw/zinc/58/52/67/1050585267.db2.gz SXCKDPUYRXWTBB-UHFFFAOYSA-N 2 2 318.424 4.416 20 0 DIADLP CSCC1(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000595064449 1050596208 /nfs/dbraw/zinc/59/62/08/1050596208.db2.gz BDTQYDQVMNNSQC-OAHLLOKOSA-N 2 2 315.486 4.056 20 0 DIADLP CCOc1cccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000742392856 1050830178 /nfs/dbraw/zinc/83/01/78/1050830178.db2.gz UBDFIEBGFGLHFG-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393221 1050831087 /nfs/dbraw/zinc/83/10/87/1050831087.db2.gz XAFSWTOAXNGKOI-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000742378765 1050838111 /nfs/dbraw/zinc/83/81/11/1050838111.db2.gz YITPXHOTVNITOG-UHFFFAOYSA-N 2 2 315.505 4.034 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000348132640 1050990487 /nfs/dbraw/zinc/99/04/87/1050990487.db2.gz YKWDIPGHEJZERJ-ZDUSSCGKSA-N 2 2 319.449 4.095 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000743479383 1051032561 /nfs/dbraw/zinc/03/25/61/1051032561.db2.gz CYLGDWWUNHDXQT-QGZVFWFLSA-N 2 2 323.484 4.072 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156027 1051113536 /nfs/dbraw/zinc/11/35/36/1051113536.db2.gz MNZWDBBDTUGMPQ-CZUORRHYSA-N 2 2 305.491 4.327 20 0 DIADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CC(F)(F)C3)CC2)CC1(C)C ZINC001171631877 1051174009 /nfs/dbraw/zinc/17/40/09/1051174009.db2.gz OVIOGZWYNPGZCU-UHFFFAOYSA-N 2 2 314.464 4.149 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc(F)c2Cl)CC1(C)C ZINC001171622905 1051179082 /nfs/dbraw/zinc/17/90/82/1051179082.db2.gz CHJFNEBSKFCRBJ-UHFFFAOYSA-N 2 2 312.860 4.220 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)cc1 ZINC001171664766 1051187898 /nfs/dbraw/zinc/18/78/98/1051187898.db2.gz BZRRQPMODAHNQI-MJGOQNOKSA-N 2 2 302.506 4.026 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)cc1 ZINC001171664766 1051187909 /nfs/dbraw/zinc/18/79/09/1051187909.db2.gz BZRRQPMODAHNQI-MJGOQNOKSA-N 2 2 302.506 4.026 20 0 DIADLP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682927 1051194987 /nfs/dbraw/zinc/19/49/87/1051194987.db2.gz YRLIVJFLYDWMFY-QUCCMNQESA-N 2 2 324.468 4.173 20 0 DIADLP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682927 1051194991 /nfs/dbraw/zinc/19/49/91/1051194991.db2.gz YRLIVJFLYDWMFY-QUCCMNQESA-N 2 2 324.468 4.173 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565814 1051444839 /nfs/dbraw/zinc/44/48/39/1051444839.db2.gz OLHHBIXDGWDYTN-AQNXPRMDSA-N 2 2 322.452 4.179 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565814 1051444843 /nfs/dbraw/zinc/44/48/43/1051444843.db2.gz OLHHBIXDGWDYTN-AQNXPRMDSA-N 2 2 322.452 4.179 20 0 DIADLP c1ccc(C[NH+]2CC(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC001172545813 1051457762 /nfs/dbraw/zinc/45/77/62/1051457762.db2.gz GRLGANFNYNTHNF-FGZHOGPDSA-N 2 2 320.480 4.044 20 0 DIADLP CC[C@H]1CC[C@H](C2CCC([NH2+]CCc3[nH+]ccn3C)CC2)CC1 ZINC001172587672 1051464852 /nfs/dbraw/zinc/46/48/52/1051464852.db2.gz NHQFEBCTYKJCHY-POSCCBCBSA-N 2 2 317.521 4.327 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172730255 1051487913 /nfs/dbraw/zinc/48/79/13/1051487913.db2.gz AXJWGLFJJMTTDN-GOSISDBHSA-N 2 2 314.473 4.346 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172730255 1051487920 /nfs/dbraw/zinc/48/79/20/1051487920.db2.gz AXJWGLFJJMTTDN-GOSISDBHSA-N 2 2 314.473 4.346 20 0 DIADLP c1cc(OC2CC[NH+](C3CCC4(CCCC4)CC3)CC2)cc[nH+]1 ZINC001172727808 1051488487 /nfs/dbraw/zinc/48/84/87/1051488487.db2.gz XYNCJLKHAGWWFK-UHFFFAOYSA-N 2 2 314.473 4.428 20 0 DIADLP CC[N@H+]([C@H](Cc1ccccc1)CC(C)C)C1CC[NH+](C)CC1 ZINC001169077195 1051512179 /nfs/dbraw/zinc/51/21/79/1051512179.db2.gz BQIPMIBDIMTWDW-FQEVSTJZSA-N 2 2 302.506 4.060 20 0 DIADLP CC[N@@H+]([C@H](Cc1ccccc1)CC(C)C)C1CC[NH+](C)CC1 ZINC001169077195 1051512191 /nfs/dbraw/zinc/51/21/91/1051512191.db2.gz BQIPMIBDIMTWDW-FQEVSTJZSA-N 2 2 302.506 4.060 20 0 DIADLP c1cn(C2CCC(Cc3ccccc3)CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001172825512 1051516674 /nfs/dbraw/zinc/51/66/74/1051516674.db2.gz WAEFNWOYHRDIRV-IOJLRTSASA-N 2 2 323.484 4.324 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(Cc2ccccc2)CC1 ZINC001172825419 1051517102 /nfs/dbraw/zinc/51/71/02/1051517102.db2.gz VOJUOJMBVSGUTJ-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(Cc2ccccc2)CC1 ZINC001172825419 1051517114 /nfs/dbraw/zinc/51/71/14/1051517114.db2.gz VOJUOJMBVSGUTJ-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090703 1051520415 /nfs/dbraw/zinc/52/04/15/1051520415.db2.gz LLQIBZCQMQUABC-ZSOGYDGISA-N 2 2 313.272 4.017 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090703 1051520425 /nfs/dbraw/zinc/52/04/25/1051520425.db2.gz LLQIBZCQMQUABC-ZSOGYDGISA-N 2 2 313.272 4.017 20 0 DIADLP CCOc1ccc([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C ZINC001169148862 1051535452 /nfs/dbraw/zinc/53/54/52/1051535452.db2.gz WKRVNHKRQRYMHP-QFBILLFUSA-N 2 2 304.478 4.349 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC[NH+](CC)CC1 ZINC001169261686 1051558717 /nfs/dbraw/zinc/55/87/17/1051558717.db2.gz LYOKBTNGMQZOEV-UHFFFAOYSA-N 2 2 315.288 4.300 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC[NH+](CC)CC1 ZINC001169261686 1051558731 /nfs/dbraw/zinc/55/87/31/1051558731.db2.gz LYOKBTNGMQZOEV-UHFFFAOYSA-N 2 2 315.288 4.300 20 0 DIADLP c1cn(-c2csc(C[NH2+]CC3CC(c4ccccc4)C3)c2)c[nH+]1 ZINC000669996821 1051559425 /nfs/dbraw/zinc/55/94/25/1051559425.db2.gz ASJPZJKSCGQMHN-UHFFFAOYSA-N 2 2 323.465 4.217 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CSc1ccc(Cl)cc1 ZINC001172881216 1051564628 /nfs/dbraw/zinc/56/46/28/1051564628.db2.gz FNQWBJABIWHDHP-CQSZACIVSA-N 2 2 323.893 4.039 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CSc1ccc(Cl)cc1 ZINC001172881216 1051564637 /nfs/dbraw/zinc/56/46/37/1051564637.db2.gz FNQWBJABIWHDHP-CQSZACIVSA-N 2 2 323.893 4.039 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001173206089 1051645101 /nfs/dbraw/zinc/64/51/01/1051645101.db2.gz SKZYGEPZEHQOJI-QZTJIDSGSA-N 2 2 310.485 4.137 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1[nH+]c(C)cc2cc[nH]c21 ZINC001169683478 1051671701 /nfs/dbraw/zinc/67/17/01/1051671701.db2.gz NDDGQEKSIDXTEF-MRXNPFEDSA-N 2 2 306.413 4.111 20 0 DIADLP CC[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296534 1051678292 /nfs/dbraw/zinc/67/82/92/1051678292.db2.gz UUSOJVBEXADKNK-VQIMIIECSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296534 1051678299 /nfs/dbraw/zinc/67/82/99/1051678299.db2.gz UUSOJVBEXADKNK-VQIMIIECSA-N 2 2 318.480 4.301 20 0 DIADLP CCSC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001173298056 1051680081 /nfs/dbraw/zinc/68/00/81/1051680081.db2.gz JEHPKXONSFVRFE-ZYSHUDEJSA-N 2 2 314.498 4.159 20 0 DIADLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173276903 1051686972 /nfs/dbraw/zinc/68/69/72/1051686972.db2.gz WNZXYEIKTBTKHU-OXJNMPFZSA-N 2 2 318.480 4.267 20 0 DIADLP c1cn([C@H]2CCCC3(CCCCC3)C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001173342854 1051701128 /nfs/dbraw/zinc/70/11/28/1051701128.db2.gz BVQXDWFTFKIAAK-SJORKVTESA-N 2 2 301.478 4.416 20 0 DIADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(C)o1 ZINC000767392729 1051802491 /nfs/dbraw/zinc/80/24/91/1051802491.db2.gz PLJRPLGYBQZFNF-FQEVSTJZSA-N 2 2 323.440 4.241 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000192149352 1052000755 /nfs/dbraw/zinc/00/07/55/1052000755.db2.gz PCBKZBIHIUFPHP-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000769408268 1052041517 /nfs/dbraw/zinc/04/15/17/1052041517.db2.gz FUNJKKHIJZCISK-MRXNPFEDSA-N 2 2 315.505 4.208 20 0 DIADLP C[C@H]([NH2+]CCSC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089516365 1052379563 /nfs/dbraw/zinc/37/95/63/1052379563.db2.gz HOBPUEMUMPRSBF-AWEZNQCLSA-N 2 2 303.475 4.055 20 0 DIADLP CC(C)C1CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000320023641 1052451995 /nfs/dbraw/zinc/45/19/95/1052451995.db2.gz KGNZRVFPMBTDNN-ABHNRTSZSA-N 2 2 305.510 4.350 20 0 DIADLP Cc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1F ZINC001222161891 1052453924 /nfs/dbraw/zinc/45/39/24/1052453924.db2.gz SKRJHUVQHDUFEP-LJQANCHMSA-N 2 2 322.443 4.019 20 0 DIADLP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1F ZINC001222161891 1052453937 /nfs/dbraw/zinc/45/39/37/1052453937.db2.gz SKRJHUVQHDUFEP-LJQANCHMSA-N 2 2 322.443 4.019 20 0 DIADLP c1ccc(Oc2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)cc1 ZINC001222237146 1052467301 /nfs/dbraw/zinc/46/73/01/1052467301.db2.gz FFRLBXNRWJCZQK-OAQYLSRUSA-N 2 2 322.452 4.197 20 0 DIADLP c1ccc(Oc2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)cc1 ZINC001222237146 1052467304 /nfs/dbraw/zinc/46/73/04/1052467304.db2.gz FFRLBXNRWJCZQK-OAQYLSRUSA-N 2 2 322.452 4.197 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc12 ZINC001222243753 1052468127 /nfs/dbraw/zinc/46/81/27/1052468127.db2.gz NXAPGKPEMOVISE-NRFANRHFSA-N 2 2 320.436 4.304 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc12 ZINC001222243753 1052468128 /nfs/dbraw/zinc/46/81/28/1052468128.db2.gz NXAPGKPEMOVISE-NRFANRHFSA-N 2 2 320.436 4.304 20 0 DIADLP Clc1cccc(Cl)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308040 1052478837 /nfs/dbraw/zinc/47/88/37/1052478837.db2.gz FVHDPYBVCZHHRD-MRXNPFEDSA-N 2 2 313.272 4.102 20 0 DIADLP Clc1cccc(Cl)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308040 1052478843 /nfs/dbraw/zinc/47/88/43/1052478843.db2.gz FVHDPYBVCZHHRD-MRXNPFEDSA-N 2 2 313.272 4.102 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)cc1 ZINC000393391068 1052481248 /nfs/dbraw/zinc/48/12/48/1052481248.db2.gz CFAVITVRYUMNNI-PWRODBHTSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)cc1 ZINC000393391068 1052481252 /nfs/dbraw/zinc/48/12/52/1052481252.db2.gz CFAVITVRYUMNNI-PWRODBHTSA-N 2 2 324.443 4.132 20 0 DIADLP Cc1csc2sc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c(C)c12 ZINC001222353706 1052489532 /nfs/dbraw/zinc/48/95/32/1052489532.db2.gz FQWCQASTJRPVCR-QGZVFWFLSA-N 2 2 320.527 4.298 20 0 DIADLP Cc1csc2sc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c(C)c12 ZINC001222353706 1052489537 /nfs/dbraw/zinc/48/95/37/1052489537.db2.gz FQWCQASTJRPVCR-QGZVFWFLSA-N 2 2 320.527 4.298 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222355632 1052489891 /nfs/dbraw/zinc/48/98/91/1052489891.db2.gz SBRMSDQWWKODPE-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222355632 1052489893 /nfs/dbraw/zinc/48/98/93/1052489893.db2.gz SBRMSDQWWKODPE-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222427893 1052499107 /nfs/dbraw/zinc/49/91/07/1052499107.db2.gz XNWJKQARPCZREY-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222427893 1052499108 /nfs/dbraw/zinc/49/91/08/1052499108.db2.gz XNWJKQARPCZREY-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222436774 1052500119 /nfs/dbraw/zinc/50/01/19/1052500119.db2.gz ZWZOUOZGHOINRH-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222436774 1052500124 /nfs/dbraw/zinc/50/01/24/1052500124.db2.gz ZWZOUOZGHOINRH-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222477459 1052504227 /nfs/dbraw/zinc/50/42/27/1052504227.db2.gz MHGNNRWIOYEBJT-QFIPXVFZSA-N 2 2 320.480 4.298 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222477459 1052504236 /nfs/dbraw/zinc/50/42/36/1052504236.db2.gz MHGNNRWIOYEBJT-QFIPXVFZSA-N 2 2 320.480 4.298 20 0 DIADLP [NH3+][C@H](C[NH+]1CCC2(CCCc3ccccc32)CC1)c1ccccc1 ZINC001222615507 1052518487 /nfs/dbraw/zinc/51/84/87/1052518487.db2.gz QSRQKZPZKRAMOB-OAQYLSRUSA-N 2 2 320.480 4.057 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000037141011 1052605757 /nfs/dbraw/zinc/60/57/57/1052605757.db2.gz YTGOAKVCGXMJMU-NSHDSACASA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000037256115 1052618670 /nfs/dbraw/zinc/61/86/70/1052618670.db2.gz BUVMNLVHHDCUBY-VIFPVBQESA-N 2 2 321.679 4.392 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000763395281 1052623385 /nfs/dbraw/zinc/62/33/85/1052623385.db2.gz LWEDJHIUZGWYAW-DLBZAZTESA-N 2 2 317.864 4.228 20 0 DIADLP CC(C[NH+](C)[C@@H](C)c1ccco1)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000124129050 1052637133 /nfs/dbraw/zinc/63/71/33/1052637133.db2.gz VGTPIGIPZDDFRD-HOTGVXAUSA-N 2 2 304.434 4.195 20 0 DIADLP CC(C[NH+](C)[C@@H](C)c1ccco1)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000124129050 1052637134 /nfs/dbraw/zinc/63/71/34/1052637134.db2.gz VGTPIGIPZDDFRD-HOTGVXAUSA-N 2 2 304.434 4.195 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000125188769 1052646024 /nfs/dbraw/zinc/64/60/24/1052646024.db2.gz WNQQIDAUMYKLMZ-SJORKVTESA-N 2 2 312.457 4.464 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129625121 1052798517 /nfs/dbraw/zinc/79/85/17/1052798517.db2.gz NMYBCUXBSCIRSZ-GVXVVHGQSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129625121 1052798520 /nfs/dbraw/zinc/79/85/20/1052798520.db2.gz NMYBCUXBSCIRSZ-GVXVVHGQSA-N 2 2 301.261 4.127 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000347476159 1052852718 /nfs/dbraw/zinc/85/27/18/1052852718.db2.gz HYTXOUKPYPJKJR-MLGOLLRUSA-N 2 2 305.372 4.019 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000347476159 1052852720 /nfs/dbraw/zinc/85/27/20/1052852720.db2.gz HYTXOUKPYPJKJR-MLGOLLRUSA-N 2 2 305.372 4.019 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001474626167 1053066562 /nfs/dbraw/zinc/06/65/62/1053066562.db2.gz UYLJOMIKTOFCFM-SCCNAQOGSA-N 2 2 314.517 4.349 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001474626167 1053066571 /nfs/dbraw/zinc/06/65/71/1053066571.db2.gz UYLJOMIKTOFCFM-SCCNAQOGSA-N 2 2 314.517 4.349 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001474626165 1053066773 /nfs/dbraw/zinc/06/67/73/1053066773.db2.gz UYLJOMIKTOFCFM-OBXNSHGQSA-N 2 2 314.517 4.349 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001474626165 1053066780 /nfs/dbraw/zinc/06/67/80/1053066780.db2.gz UYLJOMIKTOFCFM-OBXNSHGQSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001474626729 1053068310 /nfs/dbraw/zinc/06/83/10/1053068310.db2.gz QZLWIRADIKQZIV-CEWLAPEOSA-N 2 2 314.517 4.108 20 0 DIADLP Cc1[nH]c2ccc(Nc3ccc[nH+]c3N3CCCCC3)cc2[nH+]1 ZINC001213070458 1053142402 /nfs/dbraw/zinc/14/24/02/1053142402.db2.gz QXHOHSSEKVSOHV-UHFFFAOYSA-N 2 2 307.401 4.000 20 0 DIADLP Cc1coc(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC001474728631 1053193779 /nfs/dbraw/zinc/19/37/79/1053193779.db2.gz ZVLHONINMHYEAY-UHFFFAOYSA-N 2 2 324.468 4.175 20 0 DIADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000091264058 1053255244 /nfs/dbraw/zinc/25/52/44/1053255244.db2.gz MKBRWQPRGBQNNT-OAHLLOKOSA-N 2 2 312.244 4.177 20 0 DIADLP CC[C@H](C)CCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320060748 1053300119 /nfs/dbraw/zinc/30/01/19/1053300119.db2.gz GDEBXVSTRSPDFG-AWEZNQCLSA-N 2 2 314.433 4.121 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318167 1053382939 /nfs/dbraw/zinc/38/29/39/1053382939.db2.gz WGEUNFZGGVBYEK-WMZOPIPTSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000093318167 1053382948 /nfs/dbraw/zinc/38/29/48/1053382948.db2.gz WGEUNFZGGVBYEK-WMZOPIPTSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318167 1053382957 /nfs/dbraw/zinc/38/29/57/1053382957.db2.gz WGEUNFZGGVBYEK-WMZOPIPTSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318167 1053382962 /nfs/dbraw/zinc/38/29/62/1053382962.db2.gz WGEUNFZGGVBYEK-WMZOPIPTSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318164 1053384039 /nfs/dbraw/zinc/38/40/39/1053384039.db2.gz WGEUNFZGGVBYEK-FUHWJXTLSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000093318164 1053384050 /nfs/dbraw/zinc/38/40/50/1053384050.db2.gz WGEUNFZGGVBYEK-FUHWJXTLSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318164 1053384065 /nfs/dbraw/zinc/38/40/65/1053384065.db2.gz WGEUNFZGGVBYEK-FUHWJXTLSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318164 1053384077 /nfs/dbraw/zinc/38/40/77/1053384077.db2.gz WGEUNFZGGVBYEK-FUHWJXTLSA-N 2 2 314.498 4.233 20 0 DIADLP Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)[nH+]c2ccccc12 ZINC001321701885 1053429640 /nfs/dbraw/zinc/42/96/40/1053429640.db2.gz WFVRGQXQQIOWJQ-UHFFFAOYSA-N 2 2 319.452 4.259 20 0 DIADLP CCCc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152771387 1053528858 /nfs/dbraw/zinc/52/88/58/1053528858.db2.gz ZGVDHVSTYAEMGP-INIZCTEOSA-N 2 2 311.473 4.065 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261918083 1053543320 /nfs/dbraw/zinc/54/33/20/1053543320.db2.gz REQAPLUOHLWVJZ-BZSNNMDCSA-N 2 2 310.441 4.336 20 0 DIADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000152921268 1053551431 /nfs/dbraw/zinc/55/14/31/1053551431.db2.gz ZHRPBPARXPEANP-APWZRJJASA-N 2 2 321.468 4.197 20 0 DIADLP CC[NH+](CC)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC001323077141 1053563223 /nfs/dbraw/zinc/56/32/23/1053563223.db2.gz LXOQCEIZIHXBGM-UHFFFAOYSA-N 2 2 317.864 4.199 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000153678949 1053707161 /nfs/dbraw/zinc/70/71/61/1053707161.db2.gz WQGPFOKOQNKVKC-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001200589572 1053795500 /nfs/dbraw/zinc/79/55/00/1053795500.db2.gz DBQPDHKEIDHAKG-FKBYEOEOSA-N 2 2 320.480 4.044 20 0 DIADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001200589572 1053795514 /nfs/dbraw/zinc/79/55/14/1053795514.db2.gz DBQPDHKEIDHAKG-FKBYEOEOSA-N 2 2 320.480 4.044 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)cc2)o1 ZINC001231599431 1053798472 /nfs/dbraw/zinc/79/84/72/1053798472.db2.gz IOCLMXFQTOLOIX-UHFFFAOYSA-N 2 2 324.468 4.314 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)cc2)o1 ZINC001231599431 1053798479 /nfs/dbraw/zinc/79/84/79/1053798479.db2.gz IOCLMXFQTOLOIX-UHFFFAOYSA-N 2 2 324.468 4.314 20 0 DIADLP CCC[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000158514317 1053906728 /nfs/dbraw/zinc/90/67/28/1053906728.db2.gz RXQYYSQUPICGAL-LJQANCHMSA-N 2 2 311.473 4.035 20 0 DIADLP CCC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000158514317 1053906740 /nfs/dbraw/zinc/90/67/40/1053906740.db2.gz RXQYYSQUPICGAL-LJQANCHMSA-N 2 2 311.473 4.035 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001232080121 1053955778 /nfs/dbraw/zinc/95/57/78/1053955778.db2.gz AOIHIEMRGZOBEZ-UHFFFAOYSA-N 2 2 300.490 4.044 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc(Cl)cs2)C2CCCC2)CC1 ZINC001232283152 1054014548 /nfs/dbraw/zinc/01/45/48/1054014548.db2.gz OVYQBZUIHARYSS-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc(Cl)cs2)C2CCCC2)CC1 ZINC001232283152 1054014561 /nfs/dbraw/zinc/01/45/61/1054014561.db2.gz OVYQBZUIHARYSS-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3ccsc3c2)CC1 ZINC001232614531 1054083692 /nfs/dbraw/zinc/08/36/92/1054083692.db2.gz KVCNKBQDLWEKSI-UHFFFAOYSA-N 2 2 314.498 4.352 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl ZINC000296098724 1054085899 /nfs/dbraw/zinc/08/58/99/1054085899.db2.gz YPCWHCBCOFXWAV-NDNKKMJESA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl ZINC000296098724 1054085908 /nfs/dbraw/zinc/08/59/08/1054085908.db2.gz YPCWHCBCOFXWAV-NDNKKMJESA-N 2 2 313.272 4.269 20 0 DIADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)cc1F ZINC001232783991 1054118009 /nfs/dbraw/zinc/11/80/09/1054118009.db2.gz HCVCMEIUDLKMBN-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)cc1F ZINC001232783991 1054118014 /nfs/dbraw/zinc/11/80/14/1054118014.db2.gz HCVCMEIUDLKMBN-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccsc1Cl ZINC001233058630 1054179933 /nfs/dbraw/zinc/17/99/33/1054179933.db2.gz RNISMAZJGJOPOM-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccsc1Cl ZINC001233058630 1054179940 /nfs/dbraw/zinc/17/99/40/1054179940.db2.gz RNISMAZJGJOPOM-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC001233058630 1054179945 /nfs/dbraw/zinc/17/99/45/1054179945.db2.gz RNISMAZJGJOPOM-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001233058630 1054179953 /nfs/dbraw/zinc/17/99/53/1054179953.db2.gz RNISMAZJGJOPOM-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccc(C)c2)cc1 ZINC001233225069 1054209530 /nfs/dbraw/zinc/20/95/30/1054209530.db2.gz JTUVUIJQUDHYBW-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccc(C)c2)cc1 ZINC001233225069 1054209543 /nfs/dbraw/zinc/20/95/43/1054209543.db2.gz JTUVUIJQUDHYBW-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP CCOC(=[NH2+])c1ccc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001234588207 1054551451 /nfs/dbraw/zinc/55/14/51/1054551451.db2.gz IXYINRYJPRRWQT-UHFFFAOYSA-N 2 2 318.461 4.079 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235115496 1054662323 /nfs/dbraw/zinc/66/23/23/1054662323.db2.gz BEAYEDHKVBLTTA-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235115496 1054662327 /nfs/dbraw/zinc/66/23/27/1054662327.db2.gz BEAYEDHKVBLTTA-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP c1sc2ccccc2c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235166795 1054670226 /nfs/dbraw/zinc/67/02/26/1054670226.db2.gz CHJDUDSWBWUSQN-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1sc2ccccc2c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235166795 1054670233 /nfs/dbraw/zinc/67/02/33/1054670233.db2.gz CHJDUDSWBWUSQN-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1c2ccccc2sc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235168846 1054670701 /nfs/dbraw/zinc/67/07/01/1054670701.db2.gz VBPFYRHTOKYFOC-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1c2ccccc2sc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235168846 1054670707 /nfs/dbraw/zinc/67/07/07/1054670707.db2.gz VBPFYRHTOKYFOC-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1cc2ccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)cc2s1 ZINC001235177264 1054675978 /nfs/dbraw/zinc/67/59/78/1054675978.db2.gz GSTTWSGKYRGKRL-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1cc2ccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cc2s1 ZINC001235177264 1054675984 /nfs/dbraw/zinc/67/59/84/1054675984.db2.gz GSTTWSGKYRGKRL-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP CC[N@H+](Cc1cc(-c2ccsc2)cs1)C1CC[NH+](C)CC1 ZINC001235184999 1054679207 /nfs/dbraw/zinc/67/92/07/1054679207.db2.gz FCZUWPPMNHNWSQ-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC[N@@H+](Cc1cc(-c2ccsc2)cs1)C1CC[NH+](C)CC1 ZINC001235184999 1054679210 /nfs/dbraw/zinc/67/92/10/1054679210.db2.gz FCZUWPPMNHNWSQ-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000180401985 1054756514 /nfs/dbraw/zinc/75/65/14/1054756514.db2.gz NBLQVAAGVXYHSG-INIZCTEOSA-N 2 2 312.457 4.470 20 0 DIADLP c1ccc2cc(C3CC[NH+](C[C@@H]4CCCC[NH2+]4)CC3)ccc2c1 ZINC001235714091 1054784232 /nfs/dbraw/zinc/78/42/32/1054784232.db2.gz GXMGZQNQQSOYCT-NRFANRHFSA-N 2 2 308.469 4.161 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235839974 1054819640 /nfs/dbraw/zinc/81/96/40/1054819640.db2.gz DWLZICYLBYAQAO-OAHLLOKOSA-N 2 2 314.860 4.048 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235839974 1054819653 /nfs/dbraw/zinc/81/96/53/1054819653.db2.gz DWLZICYLBYAQAO-OAHLLOKOSA-N 2 2 314.860 4.048 20 0 DIADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907634 1054844080 /nfs/dbraw/zinc/84/40/80/1054844080.db2.gz RIXWCVSGRIVSLP-YOEHRIQHSA-N 2 2 314.860 4.319 20 0 DIADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907634 1054844085 /nfs/dbraw/zinc/84/40/85/1054844085.db2.gz RIXWCVSGRIVSLP-YOEHRIQHSA-N 2 2 314.860 4.319 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235907458 1054844482 /nfs/dbraw/zinc/84/44/82/1054844482.db2.gz QEJMLWAMCQCBOE-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235907458 1054844488 /nfs/dbraw/zinc/84/44/88/1054844488.db2.gz QEJMLWAMCQCBOE-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181082272 1054902607 /nfs/dbraw/zinc/90/26/07/1054902607.db2.gz ZKARRLMQARGOBD-GFCCVEGCSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181082272 1054902622 /nfs/dbraw/zinc/90/26/22/1054902622.db2.gz ZKARRLMQARGOBD-GFCCVEGCSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051962 1054916675 /nfs/dbraw/zinc/91/66/75/1054916675.db2.gz OLPAHRPRYYTSMF-UKRRQHHQSA-N 2 2 310.466 4.224 20 0 DIADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051962 1054916690 /nfs/dbraw/zinc/91/66/90/1054916690.db2.gz OLPAHRPRYYTSMF-UKRRQHHQSA-N 2 2 310.466 4.224 20 0 DIADLP Clc1ccc(SC2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236095621 1054941210 /nfs/dbraw/zinc/94/12/10/1054941210.db2.gz KVKQCEKDERVBAH-HNNXBMFYSA-N 2 2 324.921 4.039 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215865 1055005219 /nfs/dbraw/zinc/00/52/19/1055005219.db2.gz YMJGJMFQMAAIKD-SJORKVTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215865 1055005231 /nfs/dbraw/zinc/00/52/31/1055005231.db2.gz YMJGJMFQMAAIKD-SJORKVTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217349 1055006609 /nfs/dbraw/zinc/00/66/09/1055006609.db2.gz OIVHMAKZVCHDSD-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217349 1055006626 /nfs/dbraw/zinc/00/66/26/1055006626.db2.gz OIVHMAKZVCHDSD-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216976 1055007239 /nfs/dbraw/zinc/00/72/39/1055007239.db2.gz MIVHHYDFZVRCGV-UONOGXRCSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216976 1055007254 /nfs/dbraw/zinc/00/72/54/1055007254.db2.gz MIVHHYDFZVRCGV-UONOGXRCSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218835 1055007568 /nfs/dbraw/zinc/00/75/68/1055007568.db2.gz UENLLELASONRMA-DLBZAZTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218835 1055007584 /nfs/dbraw/zinc/00/75/84/1055007584.db2.gz UENLLELASONRMA-DLBZAZTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220818 1055011083 /nfs/dbraw/zinc/01/10/83/1055011083.db2.gz ZJPHVFPLPKYSPC-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220818 1055011095 /nfs/dbraw/zinc/01/10/95/1055011095.db2.gz ZJPHVFPLPKYSPC-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182813025 1055011555 /nfs/dbraw/zinc/01/15/55/1055011555.db2.gz WCCOSLBYHGMCJJ-GJZGRUSLSA-N 2 2 305.853 4.051 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182813025 1055011569 /nfs/dbraw/zinc/01/15/69/1055011569.db2.gz WCCOSLBYHGMCJJ-GJZGRUSLSA-N 2 2 305.853 4.051 20 0 DIADLP CCC[N@H+](Cc1sc2scc(C)c2c1C)[C@H]1CC[NH2+]C1 ZINC001236324542 1055057032 /nfs/dbraw/zinc/05/70/32/1055057032.db2.gz QXUAGKNLOXUHMB-ZDUSSCGKSA-N 2 2 308.516 4.154 20 0 DIADLP CCC[N@@H+](Cc1sc2scc(C)c2c1C)[C@H]1CC[NH2+]C1 ZINC001236324542 1055057044 /nfs/dbraw/zinc/05/70/44/1055057044.db2.gz QXUAGKNLOXUHMB-ZDUSSCGKSA-N 2 2 308.516 4.154 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)ccc21 ZINC001236423097 1055107057 /nfs/dbraw/zinc/10/70/57/1055107057.db2.gz ZBGBBWQCPDSVPR-BEFAXECRSA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)ccc21 ZINC001236423097 1055107064 /nfs/dbraw/zinc/10/70/64/1055107064.db2.gz ZBGBBWQCPDSVPR-BEFAXECRSA-N 2 2 321.468 4.126 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236421347 1055107149 /nfs/dbraw/zinc/10/71/49/1055107149.db2.gz UNEWVZCGNRRBGR-LAUBAEHRSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236421347 1055107152 /nfs/dbraw/zinc/10/71/52/1055107152.db2.gz UNEWVZCGNRRBGR-LAUBAEHRSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001236435899 1055111821 /nfs/dbraw/zinc/11/18/21/1055111821.db2.gz JADGUIJKKDEFHD-UHFFFAOYSA-N 2 2 319.452 4.344 20 0 DIADLP Clc1ccc(C[N@H+](Cc2ccsc2)C2CC[NH2+]CC2)cc1 ZINC001236454121 1055121941 /nfs/dbraw/zinc/12/19/41/1055121941.db2.gz VVMLJDPQHHDHCG-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Clc1ccc(C[N@@H+](Cc2ccsc2)C2CC[NH2+]CC2)cc1 ZINC001236454121 1055121948 /nfs/dbraw/zinc/12/19/48/1055121948.db2.gz VVMLJDPQHHDHCG-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001236551472 1055179757 /nfs/dbraw/zinc/17/97/57/1055179757.db2.gz GSCZJFICCWZXOG-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001236551472 1055179760 /nfs/dbraw/zinc/17/97/60/1055179760.db2.gz GSCZJFICCWZXOG-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236553976 1055181944 /nfs/dbraw/zinc/18/19/44/1055181944.db2.gz SWOPSFAMAFPZBU-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236553976 1055181949 /nfs/dbraw/zinc/18/19/49/1055181949.db2.gz SWOPSFAMAFPZBU-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000764593384 1055217064 /nfs/dbraw/zinc/21/70/64/1055217064.db2.gz AOIFBWHGDKAGIV-OCCSQVGLSA-N 2 2 314.445 4.136 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000764593384 1055217076 /nfs/dbraw/zinc/21/70/76/1055217076.db2.gz AOIFBWHGDKAGIV-OCCSQVGLSA-N 2 2 314.445 4.136 20 0 DIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000764814511 1055267961 /nfs/dbraw/zinc/26/79/61/1055267961.db2.gz QFCUMXYEPXSONQ-NRFANRHFSA-N 2 2 317.436 4.017 20 0 DIADLP Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001236857611 1055294139 /nfs/dbraw/zinc/29/41/39/1055294139.db2.gz ZMRPZIQONYQDDC-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001236857611 1055294151 /nfs/dbraw/zinc/29/41/51/1055294151.db2.gz ZMRPZIQONYQDDC-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Fc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2occc21 ZINC001236895517 1055305100 /nfs/dbraw/zinc/30/51/00/1055305100.db2.gz PJSYDPJOUAVELY-UHFFFAOYSA-N 2 2 316.420 4.022 20 0 DIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236913573 1055309178 /nfs/dbraw/zinc/30/91/78/1055309178.db2.gz IQXILUHQVNHAJB-ZIAGYGMSSA-N 2 2 303.837 4.004 20 0 DIADLP C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904802 1055309515 /nfs/dbraw/zinc/30/95/15/1055309515.db2.gz WDXBROZIVWAOMF-QGZVFWFLSA-N 2 2 321.827 4.240 20 0 DIADLP C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904802 1055309532 /nfs/dbraw/zinc/30/95/32/1055309532.db2.gz WDXBROZIVWAOMF-QGZVFWFLSA-N 2 2 321.827 4.240 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC001236913481 1055309731 /nfs/dbraw/zinc/30/97/31/1055309731.db2.gz GNHIUHNRWHDCTP-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC001236913481 1055309747 /nfs/dbraw/zinc/30/97/47/1055309747.db2.gz GNHIUHNRWHDCTP-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP Clc1cc(C[NH+]2CC3(C2)CCCCC3)ccc1-n1cc[nH+]c1 ZINC001236912766 1055310771 /nfs/dbraw/zinc/31/07/71/1055310771.db2.gz VZGDFFVKRRXFRS-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1C ZINC001236914034 1055316430 /nfs/dbraw/zinc/31/64/30/1055316430.db2.gz LFGWCUYMLHUMLV-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1C ZINC001236914034 1055316447 /nfs/dbraw/zinc/31/64/47/1055316447.db2.gz LFGWCUYMLHUMLV-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC2CCC(CC2)C1 ZINC001236919210 1055317534 /nfs/dbraw/zinc/31/75/34/1055317534.db2.gz MUKMPORFUKFFJN-UHFFFAOYSA-N 2 2 315.848 4.148 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H](C)C1 ZINC001236917225 1055318946 /nfs/dbraw/zinc/31/89/46/1055318946.db2.gz SBDCOYUDIKSNPV-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H](C)C1 ZINC001236917225 1055318961 /nfs/dbraw/zinc/31/89/61/1055318961.db2.gz SBDCOYUDIKSNPV-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000765358623 1055368216 /nfs/dbraw/zinc/36/82/16/1055368216.db2.gz JSEAYMYAGSZYOA-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP c1cc2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2s1 ZINC001237158498 1055387687 /nfs/dbraw/zinc/38/76/87/1055387687.db2.gz YVWGTYTVTTZYPY-QGZVFWFLSA-N 2 2 300.471 4.008 20 0 DIADLP c1cc2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2s1 ZINC001237158498 1055387699 /nfs/dbraw/zinc/38/76/99/1055387699.db2.gz YVWGTYTVTTZYPY-QGZVFWFLSA-N 2 2 300.471 4.008 20 0 DIADLP Cc1c(Cl)ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1C ZINC001237162124 1055391413 /nfs/dbraw/zinc/39/14/13/1055391413.db2.gz SPESESJUARAUFM-KRWDZBQOSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1c(Cl)ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1C ZINC001237162124 1055391422 /nfs/dbraw/zinc/39/14/22/1055391422.db2.gz SPESESJUARAUFM-KRWDZBQOSA-N 2 2 306.881 4.063 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2ccoc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890453 1055514848 /nfs/dbraw/zinc/51/48/48/1055514848.db2.gz NRRAIGMLHRIVIT-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890306 1055515090 /nfs/dbraw/zinc/51/50/90/1055515090.db2.gz HRWKELLBFQLLQI-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc(O)c1Cl ZINC001620908106 1055534376 /nfs/dbraw/zinc/53/43/76/1055534376.db2.gz PSFVTZJSASVTAH-UHFFFAOYSA-N 2 2 324.896 4.180 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3Cc4ccccc4C3)cc21 ZINC001237880361 1055547719 /nfs/dbraw/zinc/54/77/19/1055547719.db2.gz FAJKRTIIHMFSNZ-UHFFFAOYSA-N 2 2 304.437 4.204 20 0 DIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000387279265 1055555711 /nfs/dbraw/zinc/55/57/11/1055555711.db2.gz JUHINJHJOROSCQ-CYBMUJFWSA-N 2 2 320.506 4.077 20 0 DIADLP Cc1coc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001620950473 1055565562 /nfs/dbraw/zinc/56/55/62/1055565562.db2.gz BWDYJCPSDXLAPJ-IHWFROFDSA-N 2 2 324.468 4.263 20 0 DIADLP Cc1coc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001620950473 1055565573 /nfs/dbraw/zinc/56/55/73/1055565573.db2.gz BWDYJCPSDXLAPJ-IHWFROFDSA-N 2 2 324.468 4.263 20 0 DIADLP Cc1cc(Oc2ccccc2)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC001238063425 1055597456 /nfs/dbraw/zinc/59/74/56/1055597456.db2.gz SCNOZGBRSADCNV-UHFFFAOYSA-N 2 2 324.468 4.313 20 0 DIADLP CC[N@H+](Cc1cc(C)c(OC(C)C)c(C)c1)C1CC[NH+](C)CC1 ZINC001238751660 1055739964 /nfs/dbraw/zinc/73/99/64/1055739964.db2.gz IWKAGNWZHHLGLU-UHFFFAOYSA-N 2 2 318.505 4.007 20 0 DIADLP CC[N@@H+](Cc1cc(C)c(OC(C)C)c(C)c1)C1CC[NH+](C)CC1 ZINC001238751660 1055739972 /nfs/dbraw/zinc/73/99/72/1055739972.db2.gz IWKAGNWZHHLGLU-UHFFFAOYSA-N 2 2 318.505 4.007 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2cc(C)c(OC(C)C)c(C)c2)CC1 ZINC001238754347 1055742795 /nfs/dbraw/zinc/74/27/95/1055742795.db2.gz GOTGARLGMDSHKG-UHFFFAOYSA-N 2 2 318.505 4.007 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)c(OC(C)C)c(C)c2)CC1 ZINC001238754347 1055742807 /nfs/dbraw/zinc/74/28/07/1055742807.db2.gz GOTGARLGMDSHKG-UHFFFAOYSA-N 2 2 318.505 4.007 20 0 DIADLP Fc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000057621169 1055783738 /nfs/dbraw/zinc/78/37/38/1055783738.db2.gz PHJHIXYIWXVHLW-UHFFFAOYSA-N 2 2 321.399 4.176 20 0 DIADLP Fc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000057621169 1055783751 /nfs/dbraw/zinc/78/37/51/1055783751.db2.gz PHJHIXYIWXVHLW-UHFFFAOYSA-N 2 2 321.399 4.176 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3csc4ccccc34)cc2)C1 ZINC001238893150 1055783863 /nfs/dbraw/zinc/78/38/63/1055783863.db2.gz LOHRDDGBHFJPTI-INIZCTEOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3csc4ccccc34)cc2)C1 ZINC001238893150 1055783874 /nfs/dbraw/zinc/78/38/74/1055783874.db2.gz LOHRDDGBHFJPTI-INIZCTEOSA-N 2 2 308.450 4.101 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347578142 1055849160 /nfs/dbraw/zinc/84/91/60/1055849160.db2.gz BAYIXHMNARIJFY-UHFFFAOYSA-N 2 2 319.399 4.190 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000347578142 1055849174 /nfs/dbraw/zinc/84/91/74/1055849174.db2.gz BAYIXHMNARIJFY-UHFFFAOYSA-N 2 2 319.399 4.190 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC001620987667 1055960954 /nfs/dbraw/zinc/96/09/54/1055960954.db2.gz CMCQJRCYRRBICB-FGZHOGPDSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC001620987667 1055960962 /nfs/dbraw/zinc/96/09/62/1055960962.db2.gz CMCQJRCYRRBICB-FGZHOGPDSA-N 2 2 320.480 4.460 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC001621121493 1055962574 /nfs/dbraw/zinc/96/25/74/1055962574.db2.gz HJQBOYOFQFXOTK-RHSMWYFYSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC001621121493 1055962584 /nfs/dbraw/zinc/96/25/84/1055962584.db2.gz HJQBOYOFQFXOTK-RHSMWYFYSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001621121493 1055962594 /nfs/dbraw/zinc/96/25/94/1055962594.db2.gz HJQBOYOFQFXOTK-RHSMWYFYSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001621121493 1055962604 /nfs/dbraw/zinc/96/26/04/1055962604.db2.gz HJQBOYOFQFXOTK-RHSMWYFYSA-N 2 2 324.896 4.043 20 0 DIADLP CCO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001620788304 1055964307 /nfs/dbraw/zinc/96/43/07/1055964307.db2.gz DARBMXZIBGOMDH-YTQUADARSA-N 2 2 318.505 4.053 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC001620569710 1055967835 /nfs/dbraw/zinc/96/78/35/1055967835.db2.gz NRNREIURDDBWFO-LAUBAEHRSA-N 2 2 317.436 4.455 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC001620569710 1055967845 /nfs/dbraw/zinc/96/78/45/1055967845.db2.gz NRNREIURDDBWFO-LAUBAEHRSA-N 2 2 317.436 4.455 20 0 DIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)ccc1Cl ZINC001621008108 1055975040 /nfs/dbraw/zinc/97/50/40/1055975040.db2.gz YPJODHPEXGOALH-QGZVFWFLSA-N 2 2 306.881 4.145 20 0 DIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)ccc1Cl ZINC001621008108 1055975053 /nfs/dbraw/zinc/97/50/53/1055975053.db2.gz YPJODHPEXGOALH-QGZVFWFLSA-N 2 2 306.881 4.145 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001621017674 1055982657 /nfs/dbraw/zinc/98/26/57/1055982657.db2.gz YYKUEVPHOKRQMW-AABGKKOBSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001621017674 1055982663 /nfs/dbraw/zinc/98/26/63/1055982663.db2.gz YYKUEVPHOKRQMW-AABGKKOBSA-N 2 2 300.490 4.177 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001621023424 1055988427 /nfs/dbraw/zinc/98/84/27/1055988427.db2.gz JUOPACWBSKHIKX-KRWDZBQOSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001621023424 1055988437 /nfs/dbraw/zinc/98/84/37/1055988437.db2.gz JUOPACWBSKHIKX-KRWDZBQOSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748196 1055993458 /nfs/dbraw/zinc/99/34/58/1055993458.db2.gz MXKKSGVZBPNFQC-HOJAQTOUSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748196 1055993465 /nfs/dbraw/zinc/99/34/65/1055993465.db2.gz MXKKSGVZBPNFQC-HOJAQTOUSA-N 2 2 314.517 4.455 20 0 DIADLP CC(C)c1cc(NCC2([NH+](C)C)CCCC2)nc(C(C)C)[nH+]1 ZINC001611772973 1056188206 /nfs/dbraw/zinc/18/82/06/1056188206.db2.gz TZGKUKDVTQWAPR-UHFFFAOYSA-N 2 2 304.482 4.010 20 0 DIADLP Cn1c[nH+]cc1-c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001240060192 1056295378 /nfs/dbraw/zinc/29/53/78/1056295378.db2.gz FPTUVLBYQKZDIQ-UHFFFAOYSA-N 2 2 317.436 4.350 20 0 DIADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471787 1056317542 /nfs/dbraw/zinc/31/75/42/1056317542.db2.gz NUULCVPRIOIGEK-FXQLRMTLSA-N 2 2 320.443 4.065 20 0 DIADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471787 1056317555 /nfs/dbraw/zinc/31/75/55/1056317555.db2.gz NUULCVPRIOIGEK-FXQLRMTLSA-N 2 2 320.443 4.065 20 0 DIADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474252 1056318880 /nfs/dbraw/zinc/31/88/80/1056318880.db2.gz LCUMAKSKSSPZHE-QVOMUQBLSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474252 1056318895 /nfs/dbraw/zinc/31/88/95/1056318895.db2.gz LCUMAKSKSSPZHE-QVOMUQBLSA-N 2 2 320.443 4.208 20 0 DIADLP CC(C)C[C@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[NH+](C)C ZINC000474487365 1056319112 /nfs/dbraw/zinc/31/91/12/1056319112.db2.gz JXDJNDCFVHVYKM-SLTXQBBLSA-N 2 2 322.459 4.310 20 0 DIADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805047 1056357470 /nfs/dbraw/zinc/35/74/70/1056357470.db2.gz ANVINDRZPUVTQS-HRMROMONSA-N 2 2 320.443 4.062 20 0 DIADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805047 1056357489 /nfs/dbraw/zinc/35/74/89/1056357489.db2.gz ANVINDRZPUVTQS-HRMROMONSA-N 2 2 320.443 4.062 20 0 DIADLP c1ccc(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)cc2)cc1 ZINC001620826380 1056437232 /nfs/dbraw/zinc/43/72/32/1056437232.db2.gz HBWOBRWJCNWWAP-UHFFFAOYSA-N 2 2 317.436 4.340 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000186471642 1056481429 /nfs/dbraw/zinc/48/14/29/1056481429.db2.gz FLNRIFOIMVJKJE-MRXNPFEDSA-N 2 2 315.505 4.208 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893941 1056591901 /nfs/dbraw/zinc/59/19/01/1056591901.db2.gz GONYULLWCAJUOF-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893941 1056591912 /nfs/dbraw/zinc/59/19/12/1056591912.db2.gz GONYULLWCAJUOF-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893941 1056591916 /nfs/dbraw/zinc/59/19/16/1056591916.db2.gz GONYULLWCAJUOF-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893941 1056591930 /nfs/dbraw/zinc/59/19/30/1056591930.db2.gz GONYULLWCAJUOF-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP Clc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCCCC2)c1 ZINC001616745811 1056709414 /nfs/dbraw/zinc/70/94/14/1056709414.db2.gz LMYFIWZRZONWAP-SFHVURJKSA-N 2 2 317.864 4.448 20 0 DIADLP c1ccc(NC2CC[NH+](CCC3CCCCCC3)CC2)[nH+]c1 ZINC001616950459 1056745711 /nfs/dbraw/zinc/74/57/11/1056745711.db2.gz DAQKBTHQDPVSFC-UHFFFAOYSA-N 2 2 301.478 4.318 20 0 DIADLP Cc1ccc(C[NH+]2CCCC2)cc1-c1c[nH+]c(N(C)C)cc1C ZINC001241251362 1056980441 /nfs/dbraw/zinc/98/04/41/1056980441.db2.gz JGZRLGHEXPDAAV-UHFFFAOYSA-N 2 2 309.457 4.027 20 0 DIADLP c1cn(CCC[NH2+][C@H](Cc2ccccc2)C2CCCCC2)c[nH+]1 ZINC000479849573 1056989897 /nfs/dbraw/zinc/98/98/97/1056989897.db2.gz JCBMVCRUEOREDB-HXUWFJFHSA-N 2 2 311.473 4.054 20 0 DIADLP c1cn(CCC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)c[nH+]1 ZINC000479849572 1056990153 /nfs/dbraw/zinc/99/01/53/1056990153.db2.gz JCBMVCRUEOREDB-FQEVSTJZSA-N 2 2 311.473 4.054 20 0 DIADLP CCCCOc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241295089 1057002360 /nfs/dbraw/zinc/00/23/60/1057002360.db2.gz YLSURYXDFMBMCB-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241295089 1057002365 /nfs/dbraw/zinc/00/23/65/1057002365.db2.gz YLSURYXDFMBMCB-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657799310 1057014153 /nfs/dbraw/zinc/01/41/53/1057014153.db2.gz UJAKGPWLRPBREP-IBGZPJMESA-N 2 2 323.465 4.409 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359946317 1057016655 /nfs/dbraw/zinc/01/66/55/1057016655.db2.gz ZCNQQBXFKJBUNE-XHSDSOJGSA-N 2 2 322.905 4.093 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359946317 1057016660 /nfs/dbraw/zinc/01/66/60/1057016660.db2.gz ZCNQQBXFKJBUNE-XHSDSOJGSA-N 2 2 322.905 4.093 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4ccsc43)c2)C1 ZINC001241404143 1057042189 /nfs/dbraw/zinc/04/21/89/1057042189.db2.gz NBOFMMYZSDICNH-QGZVFWFLSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4ccsc43)c2)C1 ZINC001241404143 1057042194 /nfs/dbraw/zinc/04/21/94/1057042194.db2.gz NBOFMMYZSDICNH-QGZVFWFLSA-N 2 2 308.450 4.101 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)c[nH+]1 ZINC000675533279 1057385430 /nfs/dbraw/zinc/38/54/30/1057385430.db2.gz VVSNOJSKUVNBRO-IPMKNSEASA-N 2 2 309.457 4.321 20 0 DIADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000675763909 1057410393 /nfs/dbraw/zinc/41/03/93/1057410393.db2.gz WBVOBYNGAXGARX-OAHLLOKOSA-N 2 2 324.255 4.247 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918765 1057430598 /nfs/dbraw/zinc/43/05/98/1057430598.db2.gz GAROXIHFJAOHRI-PXNSSMCTSA-N 2 2 319.452 4.363 20 0 DIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000675917704 1057430961 /nfs/dbraw/zinc/43/09/61/1057430961.db2.gz BFGGWOOXTUBJKI-WMLDXEAASA-N 2 2 311.454 4.116 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC000675923708 1057431751 /nfs/dbraw/zinc/43/17/51/1057431751.db2.gz TYMOMAMBLJXWII-UFYCRDLUSA-N 2 2 323.484 4.262 20 0 DIADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000676253219 1057460542 /nfs/dbraw/zinc/46/05/42/1057460542.db2.gz ZQQDOYPWQGSMBO-DLBZAZTESA-N 2 2 306.519 4.020 20 0 DIADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000676253219 1057460548 /nfs/dbraw/zinc/46/05/48/1057460548.db2.gz ZQQDOYPWQGSMBO-DLBZAZTESA-N 2 2 306.519 4.020 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242981907 1057535044 /nfs/dbraw/zinc/53/50/44/1057535044.db2.gz SUKMMVAQWMJSET-UHFFFAOYSA-N 2 2 313.404 4.150 20 0 DIADLP CCCCC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766188756 1057660657 /nfs/dbraw/zinc/66/06/57/1057660657.db2.gz ABBUSXYFMPQJFY-KRWDZBQOSA-N 2 2 317.521 4.280 20 0 DIADLP Clc1cccc2c1SCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000531956438 1057671877 /nfs/dbraw/zinc/67/18/77/1057671877.db2.gz OGPUNKSRCXIWDZ-OAHLLOKOSA-N 2 2 321.877 4.143 20 0 DIADLP c1c[nH+]c(-c2ccc(-c3ccc([C@H]4CCC[NH2+]C4)cc3)cc2)[nH]1 ZINC001243980343 1057828147 /nfs/dbraw/zinc/82/81/47/1057828147.db2.gz WUCXPUWPKLHGLI-IBGZPJMESA-N 2 2 303.409 4.211 20 0 DIADLP c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc(N2CCCCC2)[nH+]1 ZINC001245350515 1058150196 /nfs/dbraw/zinc/15/01/96/1058150196.db2.gz STNGFPMZSKPGQR-IBGZPJMESA-N 2 2 307.441 4.163 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246074757 1058666907 /nfs/dbraw/zinc/66/69/07/1058666907.db2.gz QIGCXVLSTWYBRU-ABAIWWIYSA-N 2 2 315.288 4.250 20 0 DIADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001246145420 1058696748 /nfs/dbraw/zinc/69/67/48/1058696748.db2.gz WSMFEWBLMZRJCF-KJJMTIBFSA-N 2 2 320.480 4.406 20 0 DIADLP c1ccc(C[NH2+]CC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001246165113 1058709892 /nfs/dbraw/zinc/70/98/92/1058709892.db2.gz GAFXRKRGVAZREG-RTWAWAEBSA-N 2 2 308.469 4.092 20 0 DIADLP Fc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246178758 1058723515 /nfs/dbraw/zinc/72/35/15/1058723515.db2.gz JLHNMECKCGZFQE-HNNXBMFYSA-N 2 2 310.844 4.024 20 0 DIADLP CCCCCC[C@H](CC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246189278 1058729557 /nfs/dbraw/zinc/72/95/57/1058729557.db2.gz INWQLPSZUBFWMV-LSDHHAIUSA-N 2 2 308.432 4.256 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C[C@H](CC)[NH2+]1 ZINC001246233779 1058758118 /nfs/dbraw/zinc/75/81/18/1058758118.db2.gz DZYBJJAMEAQPBG-RCLSDMTESA-N 2 2 323.484 4.070 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001246260692 1058780034 /nfs/dbraw/zinc/78/00/34/1058780034.db2.gz JKTYTJNCTHELFX-ZNZDAUKMSA-N 2 2 316.395 4.109 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246296823 1058807387 /nfs/dbraw/zinc/80/73/87/1058807387.db2.gz KCGMLCDUYXAARD-IGQOVBAYSA-N 2 2 312.860 4.439 20 0 DIADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246322291 1058832653 /nfs/dbraw/zinc/83/26/53/1058832653.db2.gz HFNWFIXMSONFRQ-XUJVJEKNSA-N 2 2 315.288 4.421 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246347459 1058856563 /nfs/dbraw/zinc/85/65/63/1058856563.db2.gz HDPUCBKESOGGII-RRFJBIMHSA-N 2 2 310.432 4.235 20 0 DIADLP C[C@@H]1CC([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C[C@@H](C)[NH2+]1 ZINC001246351018 1058859713 /nfs/dbraw/zinc/85/97/13/1058859713.db2.gz TZSDRDGVFBZQPV-RKDXNWHRSA-N 2 2 321.679 4.265 20 0 DIADLP CC(C)([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1F ZINC001246349598 1058859917 /nfs/dbraw/zinc/85/99/17/1058859917.db2.gz NBMFBATWZHVZJE-QFBILLFUSA-N 2 2 312.432 4.144 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(F)c1F ZINC001246352740 1058864325 /nfs/dbraw/zinc/86/43/25/1058864325.db2.gz UJXBWNDEUZQSGS-GZBFAFLISA-N 2 2 310.432 4.091 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC[NH2+]1 ZINC001246459300 1058944274 /nfs/dbraw/zinc/94/42/74/1058944274.db2.gz SCGUUJLKHAGOPK-BFYDXBDKSA-N 2 2 321.896 4.087 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)CC[NH2+]1 ZINC001246459238 1058945155 /nfs/dbraw/zinc/94/51/55/1058945155.db2.gz RNYBPJFQLUPLKC-INMHGKMJSA-N 2 2 321.896 4.087 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+][C@@H](CC)c2c(F)cccc2F)CC[NH2+]1 ZINC001246469520 1058956212 /nfs/dbraw/zinc/95/62/12/1058956212.db2.gz RDTNSDTWJCLKEL-ZQIUZPCESA-N 2 2 310.432 4.316 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001246470136 1058957482 /nfs/dbraw/zinc/95/74/82/1058957482.db2.gz VHVOCRIMHGRFCE-VBNZEHGJSA-N 2 2 310.432 4.172 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(F)c1Cl ZINC001246492528 1058971979 /nfs/dbraw/zinc/97/19/79/1058971979.db2.gz VYGWZFARHFKLFC-TYNCELHUSA-N 2 2 312.860 4.296 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC001246508154 1058978474 /nfs/dbraw/zinc/97/84/74/1058978474.db2.gz DKDBDYVJRSGKMX-XTXLOEGASA-N 2 2 324.468 4.011 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246539549 1058994739 /nfs/dbraw/zinc/99/47/39/1058994739.db2.gz QXIIFEIVWPQQLE-QDMKHBRRSA-N 2 2 313.272 4.098 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246539549 1058994760 /nfs/dbraw/zinc/99/47/60/1058994760.db2.gz QXIIFEIVWPQQLE-QDMKHBRRSA-N 2 2 313.272 4.098 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246579077 1059010202 /nfs/dbraw/zinc/01/02/02/1059010202.db2.gz XWQFMQWQCPESKA-NEWSRXKRSA-N 2 2 322.443 4.141 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246579077 1059010225 /nfs/dbraw/zinc/01/02/25/1059010225.db2.gz XWQFMQWQCPESKA-NEWSRXKRSA-N 2 2 322.443 4.141 20 0 DIADLP CC[NH+](CC)CCCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001559134881 1059024980 /nfs/dbraw/zinc/02/49/80/1059024980.db2.gz NCJYBNOSIUQHBB-UHFFFAOYSA-N 2 2 306.498 4.257 20 0 DIADLP c1cc2cccc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)c2[nH]1 ZINC001278461593 1059066021 /nfs/dbraw/zinc/06/60/21/1059066021.db2.gz QHEMMFIWSYCTFC-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP c1cc2cccc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)c2[nH]1 ZINC001278461593 1059066044 /nfs/dbraw/zinc/06/60/44/1059066044.db2.gz QHEMMFIWSYCTFC-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP C[N@H+](Cc1cccc(Cl)c1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246811537 1059105693 /nfs/dbraw/zinc/10/56/93/1059105693.db2.gz PCIWABNVAPMNFD-WDNDVIMCSA-N 2 2 313.272 4.098 20 0 DIADLP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246811537 1059105704 /nfs/dbraw/zinc/10/57/04/1059105704.db2.gz PCIWABNVAPMNFD-WDNDVIMCSA-N 2 2 313.272 4.098 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815602 1059109713 /nfs/dbraw/zinc/10/97/13/1059109713.db2.gz ZAKFVCFPFZZGHW-WMZOPIPTSA-N 2 2 318.461 4.121 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815602 1059109730 /nfs/dbraw/zinc/10/97/30/1059109730.db2.gz ZAKFVCFPFZZGHW-WMZOPIPTSA-N 2 2 318.461 4.121 20 0 DIADLP COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246841072 1059118366 /nfs/dbraw/zinc/11/83/66/1059118366.db2.gz SRKWXXSRIAKJSY-HQRMLTQVSA-N 2 2 324.468 4.181 20 0 DIADLP COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246841072 1059118375 /nfs/dbraw/zinc/11/83/75/1059118375.db2.gz SRKWXXSRIAKJSY-HQRMLTQVSA-N 2 2 324.468 4.181 20 0 DIADLP Clc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246837452 1059119315 /nfs/dbraw/zinc/11/93/15/1059119315.db2.gz UEYRDLBDUZOAJJ-SFHVURJKSA-N 2 2 318.892 4.153 20 0 DIADLP Clc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246837452 1059119319 /nfs/dbraw/zinc/11/93/19/1059119319.db2.gz UEYRDLBDUZOAJJ-SFHVURJKSA-N 2 2 318.892 4.153 20 0 DIADLP CC[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246842962 1059125223 /nfs/dbraw/zinc/12/52/23/1059125223.db2.gz AOUAXCBYLYGFIT-QUCCMNQESA-N 2 2 312.432 4.141 20 0 DIADLP CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246842962 1059125232 /nfs/dbraw/zinc/12/52/32/1059125232.db2.gz AOUAXCBYLYGFIT-QUCCMNQESA-N 2 2 312.432 4.141 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886145 1059148345 /nfs/dbraw/zinc/14/83/45/1059148345.db2.gz JVYAURPWWYOCSY-MDZRGWNJSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886145 1059148355 /nfs/dbraw/zinc/14/83/55/1059148355.db2.gz JVYAURPWWYOCSY-MDZRGWNJSA-N 2 2 322.443 4.413 20 0 DIADLP C[NH2+]CC[C@H](C)[N@H+](Cc1ccc(Cl)cc1Cl)C(C)C ZINC001246886261 1059149642 /nfs/dbraw/zinc/14/96/42/1059149642.db2.gz ZRLGTHPSNMDGJL-LBPRGKRZSA-N 2 2 303.277 4.202 20 0 DIADLP C[NH2+]CC[C@H](C)[N@@H+](Cc1ccc(Cl)cc1Cl)C(C)C ZINC001246886261 1059149651 /nfs/dbraw/zinc/14/96/51/1059149651.db2.gz ZRLGTHPSNMDGJL-LBPRGKRZSA-N 2 2 303.277 4.202 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246903819 1059163719 /nfs/dbraw/zinc/16/37/19/1059163719.db2.gz BXMBTVWWCQVYMZ-CJNGLKHVSA-N 2 2 324.921 4.037 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246903819 1059163723 /nfs/dbraw/zinc/16/37/23/1059163723.db2.gz BXMBTVWWCQVYMZ-CJNGLKHVSA-N 2 2 324.921 4.037 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951480 1059193967 /nfs/dbraw/zinc/19/39/67/1059193967.db2.gz CRTRPUAETMIXHG-HBFSDRIKSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951480 1059193969 /nfs/dbraw/zinc/19/39/69/1059193969.db2.gz CRTRPUAETMIXHG-HBFSDRIKSA-N 2 2 317.521 4.096 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951430 1059194885 /nfs/dbraw/zinc/19/48/85/1059194885.db2.gz ZKFXMIPJJHINNV-NLWGTHIKSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951430 1059194890 /nfs/dbraw/zinc/19/48/90/1059194890.db2.gz ZKFXMIPJJHINNV-NLWGTHIKSA-N 2 2 317.521 4.241 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950047 1059195577 /nfs/dbraw/zinc/19/55/77/1059195577.db2.gz RQQSDCWTCSGTNK-NLWGTHIKSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950047 1059195589 /nfs/dbraw/zinc/19/55/89/1059195589.db2.gz RQQSDCWTCSGTNK-NLWGTHIKSA-N 2 2 317.521 4.096 20 0 DIADLP CCCCCC[C@H](CC)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953012 1059198136 /nfs/dbraw/zinc/19/81/36/1059198136.db2.gz OHJOQZCZGFZFDW-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@H](CC)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953012 1059198144 /nfs/dbraw/zinc/19/81/44/1059198144.db2.gz OHJOQZCZGFZFDW-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@@H](CCC)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954350 1059199016 /nfs/dbraw/zinc/19/90/16/1059199016.db2.gz YJVHLNFVXOIKKJ-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@@H](CCC)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954350 1059199028 /nfs/dbraw/zinc/19/90/28/1059199028.db2.gz YJVHLNFVXOIKKJ-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CCCC[C@H](CC(C)C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954108 1059199898 /nfs/dbraw/zinc/19/98/98/1059199898.db2.gz XFAUHBHUCZRBGW-UXHICEINSA-N 2 2 317.521 4.241 20 0 DIADLP CCCC[C@H](CC(C)C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954108 1059199912 /nfs/dbraw/zinc/19/99/12/1059199912.db2.gz XFAUHBHUCZRBGW-UXHICEINSA-N 2 2 317.521 4.241 20 0 DIADLP CC[C@@H]1CC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961631 1059203690 /nfs/dbraw/zinc/20/36/90/1059203690.db2.gz GZOJYHMNIFAECL-ZBFHGGJFSA-N 2 2 322.443 4.098 20 0 DIADLP CC[C@@H]1CC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961631 1059203713 /nfs/dbraw/zinc/20/37/13/1059203713.db2.gz GZOJYHMNIFAECL-ZBFHGGJFSA-N 2 2 322.443 4.098 20 0 DIADLP CC1CCC([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246961627 1059204154 /nfs/dbraw/zinc/20/41/54/1059204154.db2.gz GZAQGADKKNCUHC-UHFFFAOYSA-N 2 2 322.443 4.098 20 0 DIADLP CC1CCC([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246961627 1059204168 /nfs/dbraw/zinc/20/41/68/1059204168.db2.gz GZAQGADKKNCUHC-UHFFFAOYSA-N 2 2 322.443 4.098 20 0 DIADLP CCCC[C@@H](CC(C)C)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964257 1059211077 /nfs/dbraw/zinc/21/10/77/1059211077.db2.gz RPMROWKFLWYQFR-PMACEKPBSA-N 2 2 317.521 4.241 20 0 DIADLP CCCC[C@@H](CC(C)C)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964257 1059211093 /nfs/dbraw/zinc/21/10/93/1059211093.db2.gz RPMROWKFLWYQFR-PMACEKPBSA-N 2 2 317.521 4.241 20 0 DIADLP C[C@H]1CC[C@@H]([NH+]2CCC(c3csc4ccccc34)CC2)C[NH2+]1 ZINC001246978932 1059225593 /nfs/dbraw/zinc/22/55/93/1059225593.db2.gz KPMIHNUVRHFKJX-GOEBONIOSA-N 2 2 314.498 4.221 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC001559744715 1059578861 /nfs/dbraw/zinc/57/88/61/1059578861.db2.gz VAMNPADGIXLODW-IEBWSBKVSA-N 2 2 303.494 4.202 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC001560048553 1059862811 /nfs/dbraw/zinc/86/28/11/1059862811.db2.gz SPABLHSRQWSDIV-UHFFFAOYSA-N 2 2 317.521 4.074 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246361 1060007930 /nfs/dbraw/zinc/00/79/30/1060007930.db2.gz YCCMVMQZVZMUBH-YLJYHZDGSA-N 2 2 316.533 4.237 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246361 1060007947 /nfs/dbraw/zinc/00/79/47/1060007947.db2.gz YCCMVMQZVZMUBH-YLJYHZDGSA-N 2 2 316.533 4.237 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246360 1060010880 /nfs/dbraw/zinc/01/08/80/1060010880.db2.gz YCCMVMQZVZMUBH-XLIONFOSSA-N 2 2 316.533 4.237 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246360 1060010898 /nfs/dbraw/zinc/01/08/98/1060010898.db2.gz YCCMVMQZVZMUBH-XLIONFOSSA-N 2 2 316.533 4.237 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](SC)C1)c1ccccc1 ZINC001560249008 1060016559 /nfs/dbraw/zinc/01/65/59/1060016559.db2.gz ONHBNLQJHQMRHT-GUDVDZBRSA-N 2 2 320.546 4.333 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001560290263 1060069629 /nfs/dbraw/zinc/06/96/29/1060069629.db2.gz QYKMASBZQKXJRJ-DOTOQJQBSA-N 2 2 313.420 4.093 20 0 DIADLP Fc1cc(C[NH2+]CC2CCCCCC2)ccc1-n1cc[nH+]c1 ZINC001560290161 1060071521 /nfs/dbraw/zinc/07/15/21/1060071521.db2.gz MBGJZTBMFFIULG-UHFFFAOYSA-N 2 2 301.409 4.071 20 0 DIADLP CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560311272 1060098484 /nfs/dbraw/zinc/09/84/84/1060098484.db2.gz NSIMQZONQOPNSX-WMLDXEAASA-N 2 2 303.475 4.382 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001560351101 1060135519 /nfs/dbraw/zinc/13/55/19/1060135519.db2.gz ROEORDCMHUTEKS-YLJYHZDGSA-N 2 2 314.517 4.034 20 0 DIADLP c1cn(-c2csc(C[NH2+]CCCCC3CCCC3)c2)c[nH+]1 ZINC001560354918 1060142818 /nfs/dbraw/zinc/14/28/18/1060142818.db2.gz IBIDBYVWQDZVRM-UHFFFAOYSA-N 2 2 303.475 4.384 20 0 DIADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC001560384931 1060172916 /nfs/dbraw/zinc/17/29/16/1060172916.db2.gz BZDHWOBWEGUANG-HXUWFJFHSA-N 2 2 317.436 4.385 20 0 DIADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC001560436911 1060226959 /nfs/dbraw/zinc/22/69/59/1060226959.db2.gz WMYCHZIOOGOFPP-ZDUSSCGKSA-N 2 2 315.288 4.348 20 0 DIADLP CCSc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001249440210 1060253701 /nfs/dbraw/zinc/25/37/01/1060253701.db2.gz BMPPZXCPFUNDRL-UHFFFAOYSA-N 2 2 318.530 4.249 20 0 DIADLP CC(C)(C)c1c[nH]c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001249479330 1060263733 /nfs/dbraw/zinc/26/37/33/1060263733.db2.gz YEDVDGWQYBYYMX-IBGZPJMESA-N 2 2 317.521 4.153 20 0 DIADLP CC(C)(C)c1c[nH]c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001249479330 1060263751 /nfs/dbraw/zinc/26/37/51/1060263751.db2.gz YEDVDGWQYBYYMX-IBGZPJMESA-N 2 2 317.521 4.153 20 0 DIADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001560526612 1060326647 /nfs/dbraw/zinc/32/66/47/1060326647.db2.gz YERGQUODVUNLSA-UHFFFAOYSA-N 2 2 311.454 4.001 20 0 DIADLP CC(C)c1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001560535268 1060340437 /nfs/dbraw/zinc/34/04/37/1060340437.db2.gz MZOMRFUCJRVZDE-FQEVSTJZSA-N 2 2 300.490 4.307 20 0 DIADLP CC(C)c1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001560535268 1060340458 /nfs/dbraw/zinc/34/04/58/1060340458.db2.gz MZOMRFUCJRVZDE-FQEVSTJZSA-N 2 2 300.490 4.307 20 0 DIADLP c1cc(C2CCC2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001560535539 1060342115 /nfs/dbraw/zinc/34/21/15/1060342115.db2.gz YLOWXEIKZXMBRH-NRFANRHFSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C2CCC2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001560535539 1060342138 /nfs/dbraw/zinc/34/21/38/1060342138.db2.gz YLOWXEIKZXMBRH-NRFANRHFSA-N 2 2 312.501 4.451 20 0 DIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC1 ZINC001560843580 1060699669 /nfs/dbraw/zinc/69/96/69/1060699669.db2.gz DIEOZCONAIZFPK-WOJBJXKFSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC1 ZINC001560843580 1060699670 /nfs/dbraw/zinc/69/96/70/1060699670.db2.gz DIEOZCONAIZFPK-WOJBJXKFSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCC1 ZINC001560843577 1060700955 /nfs/dbraw/zinc/70/09/55/1060700955.db2.gz DIEOZCONAIZFPK-PMACEKPBSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCC1 ZINC001560843577 1060700972 /nfs/dbraw/zinc/70/09/72/1060700972.db2.gz DIEOZCONAIZFPK-PMACEKPBSA-N 2 2 312.501 4.209 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001560882245 1060742809 /nfs/dbraw/zinc/74/28/09/1060742809.db2.gz FTCITQGOXYGBCP-QZTJIDSGSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001560882245 1060742827 /nfs/dbraw/zinc/74/28/27/1060742827.db2.gz FTCITQGOXYGBCP-QZTJIDSGSA-N 2 2 320.908 4.440 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001560930026 1060792403 /nfs/dbraw/zinc/79/24/03/1060792403.db2.gz PWTPKSTVRZBDBB-CEWLAPEOSA-N 2 2 314.517 4.108 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)c1 ZINC001560943635 1060806312 /nfs/dbraw/zinc/80/63/12/1060806312.db2.gz WNSAGYSOSRMIOH-DENIHFKCSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)c1 ZINC001560943635 1060806321 /nfs/dbraw/zinc/80/63/21/1060806321.db2.gz WNSAGYSOSRMIOH-DENIHFKCSA-N 2 2 322.496 4.304 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945352 1060810523 /nfs/dbraw/zinc/81/05/23/1060810523.db2.gz XZAVMNMDYBFJTJ-NJAFHUGGSA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945352 1060810538 /nfs/dbraw/zinc/81/05/38/1060810538.db2.gz XZAVMNMDYBFJTJ-NJAFHUGGSA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001560945222 1060810618 /nfs/dbraw/zinc/81/06/18/1060810618.db2.gz UBUISOTYDOLMTD-LYBXBRPPSA-N 2 2 300.490 4.034 20 0 DIADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001560945222 1060810636 /nfs/dbraw/zinc/81/06/36/1060810636.db2.gz UBUISOTYDOLMTD-LYBXBRPPSA-N 2 2 300.490 4.034 20 0 DIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1F ZINC001560947856 1060813269 /nfs/dbraw/zinc/81/32/69/1060813269.db2.gz JPNFOKKRKVBISO-QLHUVDSISA-N 2 2 322.443 4.030 20 0 DIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1F ZINC001560947856 1060813284 /nfs/dbraw/zinc/81/32/84/1060813284.db2.gz JPNFOKKRKVBISO-QLHUVDSISA-N 2 2 322.443 4.030 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC001560966270 1060830868 /nfs/dbraw/zinc/83/08/68/1060830868.db2.gz SMUVJCPCFZVNTN-RYQLBKOJSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC001560966270 1060830879 /nfs/dbraw/zinc/83/08/79/1060830879.db2.gz SMUVJCPCFZVNTN-RYQLBKOJSA-N 2 2 322.443 4.065 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c[nH+]c1C ZINC001560986230 1060850076 /nfs/dbraw/zinc/85/00/76/1060850076.db2.gz ZSKAIFCAIHAHNB-IFXJQAMLSA-N 2 2 301.478 4.153 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC001560997801 1060859176 /nfs/dbraw/zinc/85/91/76/1060859176.db2.gz DTFCJDBTXFNIIO-VURMDHGXSA-N 2 2 316.464 4.179 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001561031863 1060885030 /nfs/dbraw/zinc/88/50/30/1060885030.db2.gz GTURWLOBUBAOIQ-BULFRSBZSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001561031863 1060885039 /nfs/dbraw/zinc/88/50/39/1060885039.db2.gz GTURWLOBUBAOIQ-BULFRSBZSA-N 2 2 320.480 4.043 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1C ZINC001561038917 1060891921 /nfs/dbraw/zinc/89/19/21/1060891921.db2.gz DRGQFVLKYSCYHU-WAYWQWQTSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)o1 ZINC001561051248 1060898548 /nfs/dbraw/zinc/89/85/48/1060898548.db2.gz SKTYEIVVIMUPLR-MRXNPFEDSA-N 2 2 315.461 4.228 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)o1 ZINC001561051248 1060898558 /nfs/dbraw/zinc/89/85/58/1060898558.db2.gz SKTYEIVVIMUPLR-MRXNPFEDSA-N 2 2 315.461 4.228 20 0 DIADLP CSCCCCC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462129206 1060949268 /nfs/dbraw/zinc/94/92/68/1060949268.db2.gz SBQUMBUCYWPUBG-IEBWSBKVSA-N 2 2 320.546 4.162 20 0 DIADLP CSCCCCC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462129206 1060949288 /nfs/dbraw/zinc/94/92/88/1060949288.db2.gz SBQUMBUCYWPUBG-IEBWSBKVSA-N 2 2 320.546 4.162 20 0 DIADLP CSCCCCC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462129205 1060950156 /nfs/dbraw/zinc/95/01/56/1060950156.db2.gz SBQUMBUCYWPUBG-HKUYNNGSSA-N 2 2 320.546 4.162 20 0 DIADLP CSCCCCC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462129205 1060950174 /nfs/dbraw/zinc/95/01/74/1060950174.db2.gz SBQUMBUCYWPUBG-HKUYNNGSSA-N 2 2 320.546 4.162 20 0 DIADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001462152626 1060973077 /nfs/dbraw/zinc/97/30/77/1060973077.db2.gz ALZYLBHBDKKVAY-INIZCTEOSA-N 2 2 320.546 4.051 20 0 DIADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001462152626 1060973095 /nfs/dbraw/zinc/97/30/95/1060973095.db2.gz ALZYLBHBDKKVAY-INIZCTEOSA-N 2 2 320.546 4.051 20 0 DIADLP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1C ZINC001462199208 1061020921 /nfs/dbraw/zinc/02/09/21/1061020921.db2.gz FZMULGRSKPBWJK-UHFFFAOYSA-N 2 2 322.496 4.400 20 0 DIADLP Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1C ZINC001462199208 1061020935 /nfs/dbraw/zinc/02/09/35/1061020935.db2.gz FZMULGRSKPBWJK-UHFFFAOYSA-N 2 2 322.496 4.400 20 0 DIADLP CC[C@@H]1CCC[C@H](C[N@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218948 1061034308 /nfs/dbraw/zinc/03/43/08/1061034308.db2.gz MHVZPMHUQGGKBH-MSOLQXFVSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218948 1061034316 /nfs/dbraw/zinc/03/43/16/1061034316.db2.gz MHVZPMHUQGGKBH-MSOLQXFVSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@@H]1CCC[C@H](C[NH+](C)CCC[N@H+](C)Cc2ccco2)C1 ZINC001462218948 1061034320 /nfs/dbraw/zinc/03/43/20/1061034320.db2.gz MHVZPMHUQGGKBH-MSOLQXFVSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@@H]1CCC[C@H](C[NH+](C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001462218948 1061034337 /nfs/dbraw/zinc/03/43/37/1061034337.db2.gz MHVZPMHUQGGKBH-MSOLQXFVSA-N 2 2 306.494 4.250 20 0 DIADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001462273657 1061066315 /nfs/dbraw/zinc/06/63/15/1061066315.db2.gz JLKXCMKDVXPGAW-BBRMVZONSA-N 2 2 303.837 4.050 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001462387484 1061143519 /nfs/dbraw/zinc/14/35/19/1061143519.db2.gz QDXVCELPUWZAPD-AQNXPRMDSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001462387484 1061143528 /nfs/dbraw/zinc/14/35/28/1061143528.db2.gz QDXVCELPUWZAPD-AQNXPRMDSA-N 2 2 300.490 4.004 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC001462428422 1061168089 /nfs/dbraw/zinc/16/80/89/1061168089.db2.gz LXSSKPQLEMBREU-TYPHKJRUSA-N 2 2 314.517 4.423 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462485286 1061203926 /nfs/dbraw/zinc/20/39/26/1061203926.db2.gz HURHGZXNCBLZFQ-MDNKFWRPSA-N 2 2 316.464 4.225 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462485286 1061203944 /nfs/dbraw/zinc/20/39/44/1061203944.db2.gz HURHGZXNCBLZFQ-MDNKFWRPSA-N 2 2 316.464 4.225 20 0 DIADLP CCC(C)(C)CC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462498331 1061213912 /nfs/dbraw/zinc/21/39/12/1061213912.db2.gz XMYXNXAVJQOARL-PKOBYXMFSA-N 2 2 302.506 4.455 20 0 DIADLP CCC(C)(C)CC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462498331 1061213933 /nfs/dbraw/zinc/21/39/33/1061213933.db2.gz XMYXNXAVJQOARL-PKOBYXMFSA-N 2 2 302.506 4.455 20 0 DIADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001473909365 1061459227 /nfs/dbraw/zinc/45/92/27/1061459227.db2.gz YITPRYJUFYLXRR-QRVBRYPASA-N 2 2 318.530 4.087 20 0 DIADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001473913130 1061460825 /nfs/dbraw/zinc/46/08/25/1061460825.db2.gz JDKMPFZBDNBETN-XUVXKRRUSA-N 2 2 318.505 4.007 20 0 DIADLP C[N@H+](CCC[NH2+]Cc1cscc1Cl)Cc1ccccc1 ZINC001473917746 1061466407 /nfs/dbraw/zinc/46/64/07/1061466407.db2.gz ONWRHJLHOSWGEP-UHFFFAOYSA-N 2 2 308.878 4.013 20 0 DIADLP C[N@@H+](CCC[NH2+]Cc1cscc1Cl)Cc1ccccc1 ZINC001473917746 1061466418 /nfs/dbraw/zinc/46/64/18/1061466418.db2.gz ONWRHJLHOSWGEP-UHFFFAOYSA-N 2 2 308.878 4.013 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001473984422 1061526849 /nfs/dbraw/zinc/52/68/49/1061526849.db2.gz GFDGQCZBDXNAEB-OAHLLOKOSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC001473990116 1061532224 /nfs/dbraw/zinc/53/22/24/1061532224.db2.gz NHNIOGCEBDMKCF-KRWDZBQOSA-N 2 2 308.469 4.234 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC001473990116 1061532240 /nfs/dbraw/zinc/53/22/40/1061532240.db2.gz NHNIOGCEBDMKCF-KRWDZBQOSA-N 2 2 308.469 4.234 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC(C)(C)CC2)Cc2ccccc2C1 ZINC001474020076 1061559745 /nfs/dbraw/zinc/55/97/45/1061559745.db2.gz NAQXZKNDRLHXET-IBGZPJMESA-N 2 2 314.517 4.034 20 0 DIADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023471 1061564690 /nfs/dbraw/zinc/56/46/90/1061564690.db2.gz ZUVWQLOJHYILOO-ZWKOTPCHSA-N 2 2 316.533 4.094 20 0 DIADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023471 1061564710 /nfs/dbraw/zinc/56/47/10/1061564710.db2.gz ZUVWQLOJHYILOO-ZWKOTPCHSA-N 2 2 316.533 4.094 20 0 DIADLP Cc1[nH+]cc(C[NH2+]CC2(C3CCCCC3)CCCCC2)n1C ZINC001474097120 1061641612 /nfs/dbraw/zinc/64/16/12/1061641612.db2.gz URCIGMMYJOLSHM-UHFFFAOYSA-N 2 2 303.494 4.349 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001474100795 1061647558 /nfs/dbraw/zinc/64/75/58/1061647558.db2.gz ZRWUJXHVCYGORD-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001474108104 1061657234 /nfs/dbraw/zinc/65/72/34/1061657234.db2.gz GBGGWCPJAWMEAZ-LSDHHAIUSA-N 2 2 321.534 4.009 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001474108104 1061657242 /nfs/dbraw/zinc/65/72/42/1061657242.db2.gz GBGGWCPJAWMEAZ-LSDHHAIUSA-N 2 2 321.534 4.009 20 0 DIADLP CC(C)[C@@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001474127532 1061673203 /nfs/dbraw/zinc/67/32/03/1061673203.db2.gz BZCUQEDPIBYUHD-LJQANCHMSA-N 2 2 302.506 4.138 20 0 DIADLP CC(C)[C@@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001474127532 1061673211 /nfs/dbraw/zinc/67/32/11/1061673211.db2.gz BZCUQEDPIBYUHD-LJQANCHMSA-N 2 2 302.506 4.138 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001474195475 1061744660 /nfs/dbraw/zinc/74/46/60/1061744660.db2.gz WSWGXIGDAPZAQX-SFTDATJTSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001474195475 1061744678 /nfs/dbraw/zinc/74/46/78/1061744678.db2.gz WSWGXIGDAPZAQX-SFTDATJTSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001474195474 1061745133 /nfs/dbraw/zinc/74/51/33/1061745133.db2.gz WSWGXIGDAPZAQX-RTWAWAEBSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001474195474 1061745153 /nfs/dbraw/zinc/74/51/53/1061745153.db2.gz WSWGXIGDAPZAQX-RTWAWAEBSA-N 2 2 312.501 4.451 20 0 DIADLP Cc1cc(CNc2[nH+]ccc(C)c2C2CC2)c2c([nH+]1)CCCC2 ZINC001474201950 1061755081 /nfs/dbraw/zinc/75/50/81/1061755081.db2.gz NNNWBNZIWKBAAZ-UHFFFAOYSA-N 2 2 307.441 4.462 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351634 1061964603 /nfs/dbraw/zinc/96/46/03/1061964603.db2.gz KDFTWVMPGIUETQ-UKTARXLSSA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351634 1061964621 /nfs/dbraw/zinc/96/46/21/1061964621.db2.gz KDFTWVMPGIUETQ-UKTARXLSSA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[N@@H+]1C ZINC001474351634 1061964635 /nfs/dbraw/zinc/96/46/35/1061964635.db2.gz KDFTWVMPGIUETQ-UKTARXLSSA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC001474351634 1061964652 /nfs/dbraw/zinc/96/46/52/1061964652.db2.gz KDFTWVMPGIUETQ-UKTARXLSSA-N 2 2 310.532 4.088 20 0 DIADLP CC1(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCC1 ZINC001474501040 1062178910 /nfs/dbraw/zinc/17/89/10/1062178910.db2.gz ODXBYDVFYFHEFA-UHFFFAOYSA-N 2 2 317.864 4.229 20 0 DIADLP CC1(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCC1 ZINC001474501040 1062178922 /nfs/dbraw/zinc/17/89/22/1062178922.db2.gz ODXBYDVFYFHEFA-UHFFFAOYSA-N 2 2 317.864 4.229 20 0 DIADLP c1ccc(C[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)c2ccccc2)cc1 ZINC001254832645 1062258994 /nfs/dbraw/zinc/25/89/94/1062258994.db2.gz PXWMRGKWYBUQFI-VXKWHMMOSA-N 2 2 320.480 4.044 20 0 DIADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558549 1062260669 /nfs/dbraw/zinc/26/06/69/1062260669.db2.gz RABSNMAJZFETRA-GJZGRUSLSA-N 2 2 300.421 4.114 20 0 DIADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558549 1062260691 /nfs/dbraw/zinc/26/06/91/1062260691.db2.gz RABSNMAJZFETRA-GJZGRUSLSA-N 2 2 300.421 4.114 20 0 DIADLP CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839280 1062262658 /nfs/dbraw/zinc/26/26/58/1062262658.db2.gz PAXRCVZWHUXWHL-OAQYLSRUSA-N 2 2 322.496 4.235 20 0 DIADLP CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254850072 1062265334 /nfs/dbraw/zinc/26/53/34/1062265334.db2.gz DALLBNYVKULPOX-JXFKEZNVSA-N 2 2 300.490 4.020 20 0 DIADLP Cc1cccc(C[NH+](CC[C@H]2CCC[N@H+]2C)Cc2ccco2)c1 ZINC001459677852 1062298193 /nfs/dbraw/zinc/29/81/93/1062298193.db2.gz VCPHDTZQBKQGKF-LJQANCHMSA-N 2 2 312.457 4.075 20 0 DIADLP Cc1cccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)Cc2ccco2)c1 ZINC001459677852 1062298213 /nfs/dbraw/zinc/29/82/13/1062298213.db2.gz VCPHDTZQBKQGKF-LJQANCHMSA-N 2 2 312.457 4.075 20 0 DIADLP Cc1cccc(C[N@H+](CC[C@H]2CCC[NH+]2C)Cc2ccco2)c1 ZINC001459677852 1062298229 /nfs/dbraw/zinc/29/82/29/1062298229.db2.gz VCPHDTZQBKQGKF-LJQANCHMSA-N 2 2 312.457 4.075 20 0 DIADLP Cc1cccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)Cc2ccco2)c1 ZINC001459677852 1062298240 /nfs/dbraw/zinc/29/82/40/1062298240.db2.gz VCPHDTZQBKQGKF-LJQANCHMSA-N 2 2 312.457 4.075 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC001459683068 1062304040 /nfs/dbraw/zinc/30/40/40/1062304040.db2.gz FVKFZAFKLUGHTD-FGZHOGPDSA-N 2 2 322.496 4.434 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC001459683068 1062304071 /nfs/dbraw/zinc/30/40/71/1062304071.db2.gz FVKFZAFKLUGHTD-FGZHOGPDSA-N 2 2 322.496 4.434 20 0 DIADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630582 1062353726 /nfs/dbraw/zinc/35/37/26/1062353726.db2.gz NQUJSMMHSHNOSB-DOTOQJQBSA-N 2 2 306.519 4.066 20 0 DIADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001474630582 1062353752 /nfs/dbraw/zinc/35/37/52/1062353752.db2.gz NQUJSMMHSHNOSB-DOTOQJQBSA-N 2 2 306.519 4.066 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474651665 1062379251 /nfs/dbraw/zinc/37/92/51/1062379251.db2.gz WVLHRIAHXGINGF-MBOZVWFJSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474651665 1062379276 /nfs/dbraw/zinc/37/92/76/1062379276.db2.gz WVLHRIAHXGINGF-MBOZVWFJSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CCc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683267 1062413595 /nfs/dbraw/zinc/41/35/95/1062413595.db2.gz WTELUEBRSOBGSS-NQIIRXRSSA-N 2 2 319.452 4.235 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+]CCC1CCCCCC1)c1cccnc1 ZINC001474717050 1062443389 /nfs/dbraw/zinc/44/33/89/1062443389.db2.gz WUUATXXIOWOJSW-IBGZPJMESA-N 2 2 303.494 4.025 20 0 DIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC001474745001 1062460573 /nfs/dbraw/zinc/46/05/73/1062460573.db2.gz NZEDTLACCFPWJX-LSDHHAIUSA-N 2 2 308.897 4.154 20 0 DIADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)[C@H](C)c1ccc(Cl)cc1 ZINC001474745001 1062460576 /nfs/dbraw/zinc/46/05/76/1062460576.db2.gz NZEDTLACCFPWJX-LSDHHAIUSA-N 2 2 308.897 4.154 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)c1 ZINC001474755662 1062466720 /nfs/dbraw/zinc/46/67/20/1062466720.db2.gz TYBGPNXAFQNTFG-AATRIKPKSA-N 2 2 323.484 4.238 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001255701346 1062526237 /nfs/dbraw/zinc/52/62/37/1062526237.db2.gz PHVUUFRAKUOKOB-CABCVRRESA-N 2 2 323.362 4.302 20 0 DIADLP Cc1ccc(SC[C@@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC001255771660 1062592908 /nfs/dbraw/zinc/59/29/08/1062592908.db2.gz URDOQYWFIDQCNN-HZPDHXFCSA-N 2 2 315.486 4.012 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC001255948524 1062668900 /nfs/dbraw/zinc/66/89/00/1062668900.db2.gz MSQQMWIPPLIREW-OAHLLOKOSA-N 2 2 317.502 4.020 20 0 DIADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256107176 1062706202 /nfs/dbraw/zinc/70/62/02/1062706202.db2.gz VPWFEPQDWWWHDA-PMACEKPBSA-N 2 2 300.490 4.034 20 0 DIADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1C ZINC001460241783 1062721371 /nfs/dbraw/zinc/72/13/71/1062721371.db2.gz UGKNIVIWUXNTQO-UHFFFAOYSA-N 2 2 319.452 4.430 20 0 DIADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1C ZINC001460241783 1062721399 /nfs/dbraw/zinc/72/13/99/1062721399.db2.gz UGKNIVIWUXNTQO-UHFFFAOYSA-N 2 2 319.452 4.430 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001460266888 1062741655 /nfs/dbraw/zinc/74/16/55/1062741655.db2.gz TZMCGPCJJRLCSX-LJQANCHMSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001460266888 1062741675 /nfs/dbraw/zinc/74/16/75/1062741675.db2.gz TZMCGPCJJRLCSX-LJQANCHMSA-N 2 2 309.457 4.193 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001256525923 1062849928 /nfs/dbraw/zinc/84/99/28/1062849928.db2.gz HDNZFWWNFJXASC-RLLQIKCJSA-N 2 2 323.484 4.175 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001256525923 1062849951 /nfs/dbraw/zinc/84/99/51/1062849951.db2.gz HDNZFWWNFJXASC-RLLQIKCJSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2C3CCCC2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552279 1062876328 /nfs/dbraw/zinc/87/63/28/1062876328.db2.gz ATOPOZYITQVMKY-WYNBGMTASA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2C3CCCC2CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552279 1062876354 /nfs/dbraw/zinc/87/63/54/1062876354.db2.gz ATOPOZYITQVMKY-WYNBGMTASA-N 2 2 312.501 4.447 20 0 DIADLP Cc1ccc(C2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001256599014 1062909984 /nfs/dbraw/zinc/90/99/84/1062909984.db2.gz FFFKKTWPHBIGLN-UHFFFAOYSA-N 2 2 320.480 4.238 20 0 DIADLP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC001256608560 1062915462 /nfs/dbraw/zinc/91/54/62/1062915462.db2.gz CGXQVFQHGXTJTF-JOCHJYFZSA-N 2 2 320.480 4.488 20 0 DIADLP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC001256608560 1062915477 /nfs/dbraw/zinc/91/54/77/1062915477.db2.gz CGXQVFQHGXTJTF-JOCHJYFZSA-N 2 2 320.480 4.488 20 0 DIADLP C[N@H+]([C@H]1CCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613110 1062918321 /nfs/dbraw/zinc/91/83/21/1062918321.db2.gz WMRGFTRJFCTWQS-QFIPXVFZSA-N 2 2 320.480 4.270 20 0 DIADLP C[N@@H+]([C@H]1CCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613110 1062918336 /nfs/dbraw/zinc/91/83/36/1062918336.db2.gz WMRGFTRJFCTWQS-QFIPXVFZSA-N 2 2 320.480 4.270 20 0 DIADLP c1cn(CCC[NH2+]C(C2CCCCC2)C2CCCCC2)c[nH+]1 ZINC001460694271 1062990488 /nfs/dbraw/zinc/99/04/88/1062990488.db2.gz UCYALMFLYIHKJD-UHFFFAOYSA-N 2 2 303.494 4.392 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001257219948 1063146515 /nfs/dbraw/zinc/14/65/15/1063146515.db2.gz KSFYPLVYFNSOJX-SFHVURJKSA-N 2 2 306.881 4.350 20 0 DIADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001257219948 1063146526 /nfs/dbraw/zinc/14/65/26/1063146526.db2.gz KSFYPLVYFNSOJX-SFHVURJKSA-N 2 2 306.881 4.350 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001460989206 1063170320 /nfs/dbraw/zinc/17/03/20/1063170320.db2.gz LBXMTIHAKIRWLI-SLFFLAALSA-N 2 2 300.490 4.177 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001460989206 1063170335 /nfs/dbraw/zinc/17/03/35/1063170335.db2.gz LBXMTIHAKIRWLI-SLFFLAALSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[C@@H](CC)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001257268937 1063172462 /nfs/dbraw/zinc/17/24/62/1063172462.db2.gz ISQDOOTWYWYECO-GOSISDBHSA-N 2 2 306.469 4.301 20 0 DIADLP CCC[C@@H](CC)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001257268937 1063172470 /nfs/dbraw/zinc/17/24/70/1063172470.db2.gz ISQDOOTWYWYECO-GOSISDBHSA-N 2 2 306.469 4.301 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001461003836 1063180237 /nfs/dbraw/zinc/18/02/37/1063180237.db2.gz VAQBMSRJXJJIDX-TYPHKJRUSA-N 2 2 312.501 4.406 20 0 DIADLP CCCC(CCC)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257334067 1063217427 /nfs/dbraw/zinc/21/74/27/1063217427.db2.gz ZJQGIMVMEAZWIG-UHFFFAOYSA-N 2 2 318.505 4.218 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001461062297 1063225447 /nfs/dbraw/zinc/22/54/47/1063225447.db2.gz OSCQELLDUXPFHP-OAQYLSRUSA-N 2 2 322.496 4.446 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001461062297 1063225471 /nfs/dbraw/zinc/22/54/71/1063225471.db2.gz OSCQELLDUXPFHP-OAQYLSRUSA-N 2 2 322.496 4.446 20 0 DIADLP CC(C)c1cc(NC2CC[NH+](C3CCC3)CC2)nc(C(C)C)[nH+]1 ZINC001472784353 1063232977 /nfs/dbraw/zinc/23/29/77/1063232977.db2.gz CXGASKMNNWEFNT-UHFFFAOYSA-N 2 2 316.493 4.152 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127383 1063276661 /nfs/dbraw/zinc/27/66/61/1063276661.db2.gz DRZIDQBBZFLBMO-YZGWKJHDSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127383 1063276679 /nfs/dbraw/zinc/27/66/79/1063276679.db2.gz DRZIDQBBZFLBMO-YZGWKJHDSA-N 2 2 314.517 4.455 20 0 DIADLP CC(C)CC[C@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC001461145997 1063294352 /nfs/dbraw/zinc/29/43/52/1063294352.db2.gz FPJZULSIKGCYRP-ROUUACIJSA-N 2 2 303.494 4.468 20 0 DIADLP CCC[C@H](C)CC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257486356 1063307008 /nfs/dbraw/zinc/30/70/08/1063307008.db2.gz VBRHVPMLIVFCCA-IRXDYDNUSA-N 2 2 303.494 4.245 20 0 DIADLP CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257500158 1063311145 /nfs/dbraw/zinc/31/11/45/1063311145.db2.gz LCMLYLRIKPTLGR-QGZVFWFLSA-N 2 2 318.505 4.218 20 0 DIADLP c1ccc(NCCC[NH2+]Cc2cccc(CC3CCC3)c2)[nH+]c1 ZINC001461259878 1063373228 /nfs/dbraw/zinc/37/32/28/1063373228.db2.gz COSZWOPUMITVOK-UHFFFAOYSA-N 2 2 309.457 4.016 20 0 DIADLP C[NH+](C)[C@@]1(C[NH2+]C2CCC(C3CCCCC3)CC2)CCSC1 ZINC001461269729 1063382110 /nfs/dbraw/zinc/38/21/10/1063382110.db2.gz VVPSCQQWYCWWRD-CTWPCTMYSA-N 2 2 324.578 4.152 20 0 DIADLP CC(C)Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001473107541 1063405910 /nfs/dbraw/zinc/40/59/10/1063405910.db2.gz AAIMXIGLUWBWPY-UHFFFAOYSA-N 2 2 314.517 4.335 20 0 DIADLP c1cn(CC[N@H+](Cc2cccc3ccccc32)C2CCCC2)c[nH+]1 ZINC001473147155 1063452031 /nfs/dbraw/zinc/45/20/31/1063452031.db2.gz BRCYJCODOWRZRE-UHFFFAOYSA-N 2 2 319.452 4.481 20 0 DIADLP c1cn(CC[N@@H+](Cc2cccc3ccccc32)C2CCCC2)c[nH+]1 ZINC001473147155 1063452047 /nfs/dbraw/zinc/45/20/47/1063452047.db2.gz BRCYJCODOWRZRE-UHFFFAOYSA-N 2 2 319.452 4.481 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC001258002205 1063457844 /nfs/dbraw/zinc/45/78/44/1063457844.db2.gz BCDBXANRTIVWMC-UHFFFAOYSA-N 2 2 315.288 4.203 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2Cl)CC1 ZINC001258009485 1063463048 /nfs/dbraw/zinc/46/30/48/1063463048.db2.gz ZMIOXGYLKRTRSO-CYBMUJFWSA-N 2 2 312.860 4.250 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171365 1063475566 /nfs/dbraw/zinc/47/55/66/1063475566.db2.gz XEVQHPXLVIFEFM-PKOBYXMFSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171365 1063475571 /nfs/dbraw/zinc/47/55/71/1063475571.db2.gz XEVQHPXLVIFEFM-PKOBYXMFSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171365 1063475578 /nfs/dbraw/zinc/47/55/78/1063475578.db2.gz XEVQHPXLVIFEFM-PKOBYXMFSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171365 1063475583 /nfs/dbraw/zinc/47/55/83/1063475583.db2.gz XEVQHPXLVIFEFM-PKOBYXMFSA-N 2 2 318.480 4.221 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258053088 1063485531 /nfs/dbraw/zinc/48/55/31/1063485531.db2.gz UGEFBXHGHYEBAE-QZTJIDSGSA-N 2 2 302.506 4.169 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258073928 1063499202 /nfs/dbraw/zinc/49/92/02/1063499202.db2.gz HGDNUJSIJAGORF-SJORKVTESA-N 2 2 303.494 4.101 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CCC1 ZINC001461442221 1063508553 /nfs/dbraw/zinc/50/85/53/1063508553.db2.gz YDDJIQUXYKTLTB-MOPGFXCFSA-N 2 2 300.490 4.177 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CCC1 ZINC001461442239 1063509196 /nfs/dbraw/zinc/50/91/96/1063509196.db2.gz YDDJIQUXYKTLTB-RBUKOAKNSA-N 2 2 300.490 4.177 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258086739 1063511694 /nfs/dbraw/zinc/51/16/94/1063511694.db2.gz YIAHTFPDXJNDKF-KRWDZBQOSA-N 2 2 316.489 4.081 20 0 DIADLP CC(C)(C[NH2+]Cc1cc(Cl)sc1Cl)C[NH+]1CCCC1 ZINC001461470220 1063527119 /nfs/dbraw/zinc/52/71/19/1063527119.db2.gz KHSQBMAYFDXNQW-UHFFFAOYSA-N 2 2 321.317 4.267 20 0 DIADLP C[C@H](Cc1ccco1)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001258181663 1063549750 /nfs/dbraw/zinc/54/97/50/1063549750.db2.gz RDPWUJLQJDDNBU-TYCQWZJGSA-N 2 2 320.436 4.242 20 0 DIADLP Oc1ccc(C[NH+]2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC001258236121 1063574850 /nfs/dbraw/zinc/57/48/50/1063574850.db2.gz NSVHKAYPWISZEN-UHFFFAOYSA-N 2 2 316.489 4.059 20 0 DIADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001258321525 1063610702 /nfs/dbraw/zinc/61/07/02/1063610702.db2.gz NLSFETSPWSPEPG-WMZOPIPTSA-N 2 2 320.546 4.333 20 0 DIADLP CSC(C)(C)C[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258345699 1063621353 /nfs/dbraw/zinc/62/13/53/1063621353.db2.gz PUYYIIRLRWYJHK-OAHLLOKOSA-N 2 2 317.502 4.224 20 0 DIADLP CSC(C)(C)C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258345699 1063621359 /nfs/dbraw/zinc/62/13/59/1063621359.db2.gz PUYYIIRLRWYJHK-OAHLLOKOSA-N 2 2 317.502 4.224 20 0 DIADLP c1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc(C2CCCC2)c1 ZINC001461683623 1063656564 /nfs/dbraw/zinc/65/65/64/1063656564.db2.gz POQXPDCKMBNDGX-NRFANRHFSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc(C2CCCC2)c1 ZINC001461683623 1063656573 /nfs/dbraw/zinc/65/65/73/1063656573.db2.gz POQXPDCKMBNDGX-NRFANRHFSA-N 2 2 312.501 4.451 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001461683790 1063656662 /nfs/dbraw/zinc/65/66/62/1063656662.db2.gz QZUQXLODAAYBGW-RYBIEJRYSA-N 2 2 318.892 4.350 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001461683790 1063656672 /nfs/dbraw/zinc/65/66/72/1063656672.db2.gz QZUQXLODAAYBGW-RYBIEJRYSA-N 2 2 318.892 4.350 20 0 DIADLP C[C@H](CC1CC1)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001258462664 1063665679 /nfs/dbraw/zinc/66/56/79/1063665679.db2.gz KCQKVEFBLZSHKA-CQSZACIVSA-N 2 2 321.424 4.182 20 0 DIADLP CCCC1CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001258529221 1063684760 /nfs/dbraw/zinc/68/47/60/1063684760.db2.gz JJIYYTAONQRRRM-UHFFFAOYSA-N 2 2 315.505 4.247 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC001258599198 1063702593 /nfs/dbraw/zinc/70/25/93/1063702593.db2.gz VPRXXNXOAWOMJK-IBGZPJMESA-N 2 2 318.480 4.267 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001258712081 1063767495 /nfs/dbraw/zinc/76/74/95/1063767495.db2.gz OPKNDFPTVIOJQT-FQEVSTJZSA-N 2 2 302.506 4.204 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001258712081 1063767511 /nfs/dbraw/zinc/76/75/11/1063767511.db2.gz OPKNDFPTVIOJQT-FQEVSTJZSA-N 2 2 302.506 4.204 20 0 DIADLP C[C@@H](Cc1ccsc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461909211 1063791102 /nfs/dbraw/zinc/79/11/02/1063791102.db2.gz CGHSQVWCKCCHOF-ZDUSSCGKSA-N 2 2 317.483 4.058 20 0 DIADLP C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461909211 1063791114 /nfs/dbraw/zinc/79/11/14/1063791114.db2.gz CGHSQVWCKCCHOF-ZDUSSCGKSA-N 2 2 317.483 4.058 20 0 DIADLP CC[C@@H](C)C[C@@H](CC)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786145 1063823282 /nfs/dbraw/zinc/82/32/82/1063823282.db2.gz KQOKESKXCCTSCF-BRSBDYLESA-N 2 2 303.494 4.373 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(F)c1 ZINC001461966604 1063845106 /nfs/dbraw/zinc/84/51/06/1063845106.db2.gz GYQSTHACQFQYGI-SFHVURJKSA-N 2 2 318.480 4.222 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(F)c1 ZINC001461966604 1063845112 /nfs/dbraw/zinc/84/51/12/1063845112.db2.gz GYQSTHACQFQYGI-SFHVURJKSA-N 2 2 318.480 4.222 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258814697 1063845616 /nfs/dbraw/zinc/84/56/16/1063845616.db2.gz QFQZTZYWZHATQJ-FOIQADDNSA-N 2 2 318.480 4.267 20 0 DIADLP C[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830778 1063853677 /nfs/dbraw/zinc/85/36/77/1063853677.db2.gz SFSJJRCOHOTOCI-OXJNMPFZSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830778 1063853695 /nfs/dbraw/zinc/85/36/95/1063853695.db2.gz SFSJJRCOHOTOCI-OXJNMPFZSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@H](Cc1ccccc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258842233 1063862965 /nfs/dbraw/zinc/86/29/65/1063862965.db2.gz DPZQEALWRMSCJF-VAMGGRTRSA-N 2 2 323.484 4.179 20 0 DIADLP CC[C@@H](Cc1ccccc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258843351 1063863225 /nfs/dbraw/zinc/86/32/25/1063863225.db2.gz DIXMGIZZJDQYPK-IBGZPJMESA-N 2 2 305.425 4.203 20 0 DIADLP CC[C@@H](Cc1ccccc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258843706 1063865655 /nfs/dbraw/zinc/86/56/55/1063865655.db2.gz IBWCBIPNGUTBFM-IBGZPJMESA-N 2 2 305.425 4.203 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535920 1063887930 /nfs/dbraw/zinc/88/79/30/1063887930.db2.gz RBKIWVOXZMVTKW-YOEHRIQHSA-N 2 2 300.471 4.160 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535920 1063887935 /nfs/dbraw/zinc/88/79/35/1063887935.db2.gz RBKIWVOXZMVTKW-YOEHRIQHSA-N 2 2 300.471 4.160 20 0 DIADLP CC(C)C[C@H](C)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386829325 1064060830 /nfs/dbraw/zinc/06/08/30/1064060830.db2.gz HMWYBGACSRBZNX-SFHVURJKSA-N 2 2 302.506 4.313 20 0 DIADLP CC(C)C[C@H](C)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386829325 1064060842 /nfs/dbraw/zinc/06/08/42/1064060842.db2.gz HMWYBGACSRBZNX-SFHVURJKSA-N 2 2 302.506 4.313 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471327 1064074902 /nfs/dbraw/zinc/07/49/02/1064074902.db2.gz TYVWEXAISYKAHB-UYAOXDASSA-N 2 2 314.517 4.457 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471327 1064074912 /nfs/dbraw/zinc/07/49/12/1064074912.db2.gz TYVWEXAISYKAHB-UYAOXDASSA-N 2 2 314.517 4.457 20 0 DIADLP Clc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000393486116 1064282833 /nfs/dbraw/zinc/28/28/33/1064282833.db2.gz PDWRQNQQEJKVRD-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Cc1cc(C)c(C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1C ZINC001279266438 1064340503 /nfs/dbraw/zinc/34/05/03/1064340503.db2.gz BTLWIWUKULWXLO-UHFFFAOYSA-N 2 2 312.501 4.062 20 0 DIADLP Cc1cc(C)c(C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1C ZINC001279266438 1064340516 /nfs/dbraw/zinc/34/05/16/1064340516.db2.gz BTLWIWUKULWXLO-UHFFFAOYSA-N 2 2 312.501 4.062 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000643458798 1064413233 /nfs/dbraw/zinc/41/32/33/1064413233.db2.gz CCFXPDHXDJOZOO-IYJAJMOOSA-N 2 2 316.395 4.109 20 0 DIADLP c1cn(-c2ccc(C[NH+]3CCC(C4CCCC4)CC3)cc2)c[nH+]1 ZINC001307508569 1065451611 /nfs/dbraw/zinc/45/16/11/1065451611.db2.gz NGMCRNHNFBGEPR-UHFFFAOYSA-N 2 2 309.457 4.275 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)ccc2ccccc21 ZINC001307524122 1065462285 /nfs/dbraw/zinc/46/22/85/1065462285.db2.gz SHMGCBSDIMYWRW-MOPGFXCFSA-N 2 2 308.469 4.207 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)ccc2ccccc21 ZINC001307524122 1065462291 /nfs/dbraw/zinc/46/22/91/1065462291.db2.gz SHMGCBSDIMYWRW-MOPGFXCFSA-N 2 2 308.469 4.207 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)ccc2ccccc21 ZINC001307524122 1065462296 /nfs/dbraw/zinc/46/22/96/1065462296.db2.gz SHMGCBSDIMYWRW-MOPGFXCFSA-N 2 2 308.469 4.207 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)ccc2ccccc21 ZINC001307524122 1065462299 /nfs/dbraw/zinc/46/22/99/1065462299.db2.gz SHMGCBSDIMYWRW-MOPGFXCFSA-N 2 2 308.469 4.207 20 0 DIADLP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]C2(Cc3ccccc3)CCCC2)C1 ZINC001307670699 1065552864 /nfs/dbraw/zinc/55/28/64/1065552864.db2.gz UUQHZBSIJAEHEV-OALUTQOASA-N 2 2 314.517 4.109 20 0 DIADLP CC(C)C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308122768 1065770875 /nfs/dbraw/zinc/77/08/75/1065770875.db2.gz QWOVPUPWTWASJM-FCHUYYIVSA-N 2 2 322.496 4.290 20 0 DIADLP CC(C)C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001308122768 1065770887 /nfs/dbraw/zinc/77/08/87/1065770887.db2.gz QWOVPUPWTWASJM-FCHUYYIVSA-N 2 2 322.496 4.290 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC001308195095 1065803710 /nfs/dbraw/zinc/80/37/10/1065803710.db2.gz YTDHSOGOMMGINS-FQEVSTJZSA-N 2 2 302.506 4.252 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)C(C)(C)C ZINC001308263984 1065862719 /nfs/dbraw/zinc/86/27/19/1065862719.db2.gz GSGCXNOHBQJKEP-OAHLLOKOSA-N 2 2 317.304 4.449 20 0 DIADLP CC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274868 1065874345 /nfs/dbraw/zinc/87/43/45/1065874345.db2.gz OBORKGIYDFZUKH-UNMCSNQZSA-N 2 2 322.496 4.434 20 0 DIADLP CC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274868 1065874358 /nfs/dbraw/zinc/87/43/58/1065874358.db2.gz OBORKGIYDFZUKH-UNMCSNQZSA-N 2 2 322.496 4.434 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cccs2)c(C)c1 ZINC001308344008 1065927937 /nfs/dbraw/zinc/92/79/37/1065927937.db2.gz ZOVRNXYHGCOXTK-GOSISDBHSA-N 2 2 311.454 4.093 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428404 1065981254 /nfs/dbraw/zinc/98/12/54/1065981254.db2.gz XMSCCYALFPJPBL-WMZOPIPTSA-N 2 2 302.506 4.454 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428404 1065981264 /nfs/dbraw/zinc/98/12/64/1065981264.db2.gz XMSCCYALFPJPBL-WMZOPIPTSA-N 2 2 302.506 4.454 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428401 1065982008 /nfs/dbraw/zinc/98/20/08/1065982008.db2.gz XMSCCYALFPJPBL-AEFFLSMTSA-N 2 2 302.506 4.454 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428401 1065982018 /nfs/dbraw/zinc/98/20/18/1065982018.db2.gz XMSCCYALFPJPBL-AEFFLSMTSA-N 2 2 302.506 4.454 20 0 DIADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC=CCCC3)c2)c[nH+]1 ZINC001308546941 1066060249 /nfs/dbraw/zinc/06/02/49/1066060249.db2.gz VGQWNLYLJSHDHO-OAHLLOKOSA-N 2 2 301.459 4.160 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589345 1066103070 /nfs/dbraw/zinc/10/30/70/1066103070.db2.gz MYJPEOLONNAOOO-ZWKOTPCHSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589345 1066103073 /nfs/dbraw/zinc/10/30/73/1066103073.db2.gz MYJPEOLONNAOOO-ZWKOTPCHSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589345 1066103077 /nfs/dbraw/zinc/10/30/77/1066103077.db2.gz MYJPEOLONNAOOO-ZWKOTPCHSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589345 1066103081 /nfs/dbraw/zinc/10/30/81/1066103081.db2.gz MYJPEOLONNAOOO-ZWKOTPCHSA-N 2 2 318.480 4.221 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001308592915 1066105644 /nfs/dbraw/zinc/10/56/44/1066105644.db2.gz OVKVCKURXRJVOJ-VYJAJWGXSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001308592915 1066105646 /nfs/dbraw/zinc/10/56/46/1066105646.db2.gz OVKVCKURXRJVOJ-VYJAJWGXSA-N 2 2 304.522 4.316 20 0 DIADLP Cc1coc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632593 1066127396 /nfs/dbraw/zinc/12/73/96/1066127396.db2.gz AKIQCCIKGYMALT-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632593 1066127403 /nfs/dbraw/zinc/12/74/03/1066127403.db2.gz AKIQCCIKGYMALT-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632593 1066127405 /nfs/dbraw/zinc/12/74/05/1066127405.db2.gz AKIQCCIKGYMALT-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632593 1066127410 /nfs/dbraw/zinc/12/74/10/1066127410.db2.gz AKIQCCIKGYMALT-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP C[C@]1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1c1ccccc1 ZINC001308866061 1066347850 /nfs/dbraw/zinc/34/78/50/1066347850.db2.gz SKQWKRMYCJDOAC-NJDAHSKKSA-N 2 2 312.501 4.177 20 0 DIADLP C[C@]1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1c1ccccc1 ZINC001308866061 1066347865 /nfs/dbraw/zinc/34/78/65/1066347865.db2.gz SKQWKRMYCJDOAC-NJDAHSKKSA-N 2 2 312.501 4.177 20 0 DIADLP CCC1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC001308876696 1066355016 /nfs/dbraw/zinc/35/50/16/1066355016.db2.gz NZLXTGDVFADJQV-KVZIAJEVSA-N 2 2 311.473 4.262 20 0 DIADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001308896966 1066376317 /nfs/dbraw/zinc/37/63/17/1066376317.db2.gz WLYNDRHEFQGRPP-VAMGGRTRSA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001308896966 1066376331 /nfs/dbraw/zinc/37/63/31/1066376331.db2.gz WLYNDRHEFQGRPP-VAMGGRTRSA-N 2 2 300.490 4.209 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308914865 1066392698 /nfs/dbraw/zinc/39/26/98/1066392698.db2.gz GQBDOWRMDZSMIO-AQNXPRMDSA-N 2 2 311.473 4.429 20 0 DIADLP C[C@H](CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001308916242 1066395002 /nfs/dbraw/zinc/39/50/02/1066395002.db2.gz VFYFALUWMOBKBD-WIYYLYMNSA-N 2 2 319.452 4.408 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000078847593 185120714 /nfs/dbraw/zinc/12/07/14/185120714.db2.gz LNPRFSHBTQTRJZ-UHFFFAOYSA-N 2 2 311.473 4.361 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)C[C@H]1c1ccccc1 ZINC000340176413 131000951 /nfs/dbraw/zinc/00/09/51/131000951.db2.gz YNYPNLAAWMBAGG-WDSOQIARSA-N 2 2 310.441 4.082 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)C[C@H]1c1ccccc1 ZINC000340176413 131000952 /nfs/dbraw/zinc/00/09/52/131000952.db2.gz YNYPNLAAWMBAGG-WDSOQIARSA-N 2 2 310.441 4.082 20 0 DIADLP CC(C)C(C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)C ZINC000284078723 131046854 /nfs/dbraw/zinc/04/68/54/131046854.db2.gz UXCJSSJMYNPUJB-QGZVFWFLSA-N 2 2 317.521 4.125 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000284393788 131076254 /nfs/dbraw/zinc/07/62/54/131076254.db2.gz PIECBOZDFJRTOH-KGLIPLIRSA-N 2 2 321.852 4.063 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000286328861 131230742 /nfs/dbraw/zinc/23/07/42/131230742.db2.gz XWQKPWSPISSYAQ-BJLQDIEVSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000286328861 131230744 /nfs/dbraw/zinc/23/07/44/131230744.db2.gz XWQKPWSPISSYAQ-BJLQDIEVSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000288972253 131349196 /nfs/dbraw/zinc/34/91/96/131349196.db2.gz BUNFELBONSTKDR-UHFFFAOYSA-N 2 2 311.454 4.064 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000288972253 131349198 /nfs/dbraw/zinc/34/91/98/131349198.db2.gz BUNFELBONSTKDR-UHFFFAOYSA-N 2 2 311.454 4.064 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000289209916 131366321 /nfs/dbraw/zinc/36/63/21/131366321.db2.gz IMPKUGRGPZCAMM-LSDHHAIUSA-N 2 2 300.368 4.033 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000290237370 131467750 /nfs/dbraw/zinc/46/77/50/131467750.db2.gz GKYBHWUWFDMEAT-GHTZIAJQSA-N 2 2 324.468 4.080 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120788652 132151254 /nfs/dbraw/zinc/15/12/54/132151254.db2.gz PKQMFDYGAVYRGE-KBXCAEBGSA-N 2 2 307.397 4.194 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000121353760 132153883 /nfs/dbraw/zinc/15/38/83/132153883.db2.gz HYMNCGMMPGADBF-CQSZACIVSA-N 2 2 315.848 4.055 20 0 DIADLP c1cn(CCCC2CCN(c3cc[nH+]c4ccccc43)CC2)c[nH+]1 ZINC000340771028 132184405 /nfs/dbraw/zinc/18/44/05/132184405.db2.gz CUTGIKRVKDHPNX-UHFFFAOYSA-N 2 2 320.440 4.128 20 0 DIADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000037249268 331548546 /nfs/dbraw/zinc/54/85/46/331548546.db2.gz OHFRSYXNUFNRNS-HNNXBMFYSA-N 2 2 312.244 4.321 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000078372409 331673481 /nfs/dbraw/zinc/67/34/81/331673481.db2.gz GVJGMUISJHFTEW-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000557268827 331779503 /nfs/dbraw/zinc/77/95/03/331779503.db2.gz QGHIGAMVMJDEQR-LSDHHAIUSA-N 2 2 308.897 4.329 20 0 DIADLP c1ccc(N2CCC([NH2+][C@@H]3CCCC34CCCCC4)CC2)[nH+]c1 ZINC000313042848 331827191 /nfs/dbraw/zinc/82/71/91/331827191.db2.gz MDDBXHFKEJOOTO-GOSISDBHSA-N 2 2 313.489 4.143 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000558009234 331832506 /nfs/dbraw/zinc/83/25/06/331832506.db2.gz GPCIBTPANHBILW-SFHVURJKSA-N 2 2 323.484 4.014 20 0 DIADLP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000558255999 331888330 /nfs/dbraw/zinc/88/83/30/331888330.db2.gz MTNMMFSAFXTEAJ-QGZVFWFLSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccon1 ZINC000449236032 331965397 /nfs/dbraw/zinc/96/53/97/331965397.db2.gz ISYJQZJGXGHILM-AWEZNQCLSA-N 2 2 307.482 4.004 20 0 DIADLP c1ccc(NCCCC[NH2+][C@@H]2CCCCC23CCCC3)[nH+]c1 ZINC000559751152 332279058 /nfs/dbraw/zinc/27/90/58/332279058.db2.gz DUCMQQLSOMVUAA-QGZVFWFLSA-N 2 2 301.478 4.366 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)c2ccccc21 ZINC000559845812 332284907 /nfs/dbraw/zinc/28/49/07/332284907.db2.gz UUJLUTMGMWBEFE-CQSZACIVSA-N 2 2 323.415 4.363 20 0 DIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCn1cc[nH+]c1 ZINC000559893303 332290477 /nfs/dbraw/zinc/29/04/77/332290477.db2.gz AENPPYSQPKAAHF-INIZCTEOSA-N 2 2 324.472 4.101 20 0 DIADLP CCc1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)on1 ZINC000560099661 332311170 /nfs/dbraw/zinc/31/11/70/332311170.db2.gz FSGVSGCDXOGMIH-UHFFFAOYSA-N 2 2 321.509 4.006 20 0 DIADLP CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000560267208 332325398 /nfs/dbraw/zinc/32/53/98/332325398.db2.gz PRBXFRLSUKKKRC-MRXNPFEDSA-N 2 2 311.473 4.269 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560265062 332326336 /nfs/dbraw/zinc/32/63/36/332326336.db2.gz DATBWDJZFAOUNF-LBPRGKRZSA-N 2 2 323.893 4.045 20 0 DIADLP CC(C)[C@@H]1CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C[C@@H]1C ZINC000561398236 332446440 /nfs/dbraw/zinc/44/64/40/332446440.db2.gz RPSPANMUSJUGPU-JQHSSLGASA-N 2 2 312.461 4.199 20 0 DIADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000427857916 332543462 /nfs/dbraw/zinc/54/34/62/332543462.db2.gz JRIAMVGYABILNQ-UHFFFAOYSA-N 2 2 324.871 4.366 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)cc1 ZINC000427872226 332551024 /nfs/dbraw/zinc/55/10/24/332551024.db2.gz JIICLSFQPVGLBI-UZLBHIALSA-N 2 2 317.436 4.216 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccs2)cc1 ZINC000427878333 332552311 /nfs/dbraw/zinc/55/23/11/332552311.db2.gz QMWYWBOGAOXYEH-WMLDXEAASA-N 2 2 323.465 4.277 20 0 DIADLP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000187919320 333153109 /nfs/dbraw/zinc/15/31/09/333153109.db2.gz YWKBEYTUIFVFKN-ZBFHGGJFSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000187919320 333153111 /nfs/dbraw/zinc/15/31/11/333153111.db2.gz YWKBEYTUIFVFKN-ZBFHGGJFSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000187919320 333153112 /nfs/dbraw/zinc/15/31/12/333153112.db2.gz YWKBEYTUIFVFKN-ZBFHGGJFSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000187919320 333153114 /nfs/dbraw/zinc/15/31/14/333153114.db2.gz YWKBEYTUIFVFKN-ZBFHGGJFSA-N 2 2 324.896 4.042 20 0 DIADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000390534840 333292513 /nfs/dbraw/zinc/29/25/13/333292513.db2.gz OJJREACVEMKJJK-OAHLLOKOSA-N 2 2 320.889 4.156 20 0 DIADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000390534840 333292515 /nfs/dbraw/zinc/29/25/15/333292515.db2.gz OJJREACVEMKJJK-OAHLLOKOSA-N 2 2 320.889 4.156 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccccc1C(C)C ZINC000583467600 333359963 /nfs/dbraw/zinc/35/99/63/333359963.db2.gz HXUWVZOUGFRVSU-UHFFFAOYSA-N 2 2 312.457 4.115 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000525802600 333404887 /nfs/dbraw/zinc/40/48/87/333404887.db2.gz DMTUQHZWRPMGBM-MRXNPFEDSA-N 2 2 323.440 4.131 20 0 DIADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000061324860 333427363 /nfs/dbraw/zinc/42/73/63/333427363.db2.gz XNJMFGSUVYWJLA-SJORKVTESA-N 2 2 300.471 4.018 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC23CCC3)c(C)c1 ZINC000337496833 333450297 /nfs/dbraw/zinc/45/02/97/333450297.db2.gz YRQBNFHIYWXMBU-RBUKOAKNSA-N 2 2 309.457 4.164 20 0 DIADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000320342344 333517042 /nfs/dbraw/zinc/51/70/42/333517042.db2.gz OORVGTWVSAIDCW-DLBZAZTESA-N 2 2 305.425 4.327 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)CCC2 ZINC000531733047 333551024 /nfs/dbraw/zinc/55/10/24/333551024.db2.gz AJJVSJHAFVVKTP-SLFFLAALSA-N 2 2 323.484 4.385 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000563574858 333628440 /nfs/dbraw/zinc/62/84/40/333628440.db2.gz SGLIIEAGTKESJA-PXNSSMCTSA-N 2 2 323.484 4.056 20 0 DIADLP CCn1c[nH+]cc1C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000417793581 335157779 /nfs/dbraw/zinc/15/77/79/335157779.db2.gz LPYRAXCAPPXIJM-NRFANRHFSA-N 2 2 317.436 4.051 20 0 DIADLP CCn1c[nH+]cc1C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000417793581 335157781 /nfs/dbraw/zinc/15/77/81/335157781.db2.gz LPYRAXCAPPXIJM-NRFANRHFSA-N 2 2 317.436 4.051 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000571632520 333865518 /nfs/dbraw/zinc/86/55/18/333865518.db2.gz QAXPUKMZIWQKLO-BEFAXECRSA-N 2 2 300.446 4.014 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414828820 334110124 /nfs/dbraw/zinc/11/01/24/334110124.db2.gz JKURSNBLOGZTBU-WFASDCNBSA-N 2 2 308.878 4.012 20 0 DIADLP Cc1[nH+]cc(CNc2ccc3c(c2)CCC[NH2+]3)n1-c1ccccc1 ZINC000414847682 334120139 /nfs/dbraw/zinc/12/01/39/334120139.db2.gz JGTHJLFQCAHPDG-UHFFFAOYSA-N 2 2 318.424 4.151 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000414854391 334127828 /nfs/dbraw/zinc/12/78/28/334127828.db2.gz ZJBOQZMUXRUWIA-FQEVSTJZSA-N 2 2 319.452 4.148 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000187752729 334271721 /nfs/dbraw/zinc/27/17/21/334271721.db2.gz ZWBLJQIVKFYFTM-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940170 334202218 /nfs/dbraw/zinc/20/22/18/334202218.db2.gz JYSXARNIGGNHOM-LRDDRELGSA-N 2 2 310.363 4.160 20 0 DIADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000531941971 334302140 /nfs/dbraw/zinc/30/21/40/334302140.db2.gz BSJNNADVPHEWTJ-KRWDZBQOSA-N 2 2 313.832 4.271 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(-c2ccncc2)c1 ZINC000531957471 334313347 /nfs/dbraw/zinc/31/33/47/334313347.db2.gz KYKBESWDONAQBD-QGZVFWFLSA-N 2 2 320.440 4.076 20 0 DIADLP Cc1ccc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1F ZINC000303767892 334330421 /nfs/dbraw/zinc/33/04/21/334330421.db2.gz DYJATPGQKRYNFH-MRXNPFEDSA-N 2 2 314.448 4.353 20 0 DIADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534977604 334351622 /nfs/dbraw/zinc/35/16/22/334351622.db2.gz WIGXCPYSCRIQLI-KSSFIOAISA-N 2 2 324.871 4.394 20 0 DIADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534977604 334351623 /nfs/dbraw/zinc/35/16/23/334351623.db2.gz WIGXCPYSCRIQLI-KSSFIOAISA-N 2 2 324.871 4.394 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)CCC2 ZINC000531988083 334361243 /nfs/dbraw/zinc/36/12/43/334361243.db2.gz QCGUXBRJKHQHTQ-RTBURBONSA-N 2 2 309.457 4.200 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)CCC2 ZINC000531988082 334361246 /nfs/dbraw/zinc/36/12/46/334361246.db2.gz QCGUXBRJKHQHTQ-RBUKOAKNSA-N 2 2 309.457 4.200 20 0 DIADLP CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccsc1 ZINC000443096857 338444429 /nfs/dbraw/zinc/44/44/29/338444429.db2.gz JNDWXWYQVQYGPX-GOEBONIOSA-N 2 2 303.475 4.261 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccccc1C(C)(C)C ZINC000535087443 334368937 /nfs/dbraw/zinc/36/89/37/334368937.db2.gz HATQOYKDNPVHBQ-HZPDHXFCSA-N 2 2 311.473 4.409 20 0 DIADLP CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000342323549 334532635 /nfs/dbraw/zinc/53/26/35/334532635.db2.gz IEFTZHJFYDBDNR-GOSISDBHSA-N 2 2 315.461 4.049 20 0 DIADLP Clc1cccc(Cl)c1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000344046917 335212084 /nfs/dbraw/zinc/21/20/84/335212084.db2.gz YACGEIKFLRDSDS-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000344101581 335223145 /nfs/dbraw/zinc/22/31/45/335223145.db2.gz MGBQVWOYDJIJHO-HXUWFJFHSA-N 2 2 321.399 4.179 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1F ZINC000344309314 335239493 /nfs/dbraw/zinc/23/94/93/335239493.db2.gz TUACRIPMYVUSGS-LLVKDONJSA-N 2 2 319.380 4.063 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1F ZINC000345186968 335306238 /nfs/dbraw/zinc/30/62/38/335306238.db2.gz OGHKLPMEJDBCOH-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3C3CCCC3)c2)c[nH+]1 ZINC000346139457 335380331 /nfs/dbraw/zinc/38/03/31/335380331.db2.gz VMMZUAXXAQLXCQ-KRWDZBQOSA-N 2 2 301.459 4.088 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]3C3CCCC3)c2)c[nH+]1 ZINC000346139457 335380333 /nfs/dbraw/zinc/38/03/33/335380333.db2.gz VMMZUAXXAQLXCQ-KRWDZBQOSA-N 2 2 301.459 4.088 20 0 DIADLP C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346153854 335382501 /nfs/dbraw/zinc/38/25/01/335382501.db2.gz PZOOVTVIUPKWCH-LBPRGKRZSA-N 2 2 315.467 4.115 20 0 DIADLP C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346153854 335382502 /nfs/dbraw/zinc/38/25/02/335382502.db2.gz PZOOVTVIUPKWCH-LBPRGKRZSA-N 2 2 315.467 4.115 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346156101 335382812 /nfs/dbraw/zinc/38/28/12/335382812.db2.gz AKRSONGXDJGWEB-PBHICJAKSA-N 2 2 301.459 4.088 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346156101 335382813 /nfs/dbraw/zinc/38/28/13/335382813.db2.gz AKRSONGXDJGWEB-PBHICJAKSA-N 2 2 301.459 4.088 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346156321 335383023 /nfs/dbraw/zinc/38/30/23/335383023.db2.gz AVNAHNJMHOGSQV-CYBMUJFWSA-N 2 2 315.417 4.266 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346156321 335383024 /nfs/dbraw/zinc/38/30/24/335383024.db2.gz AVNAHNJMHOGSQV-CYBMUJFWSA-N 2 2 315.417 4.266 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(Cl)cc1 ZINC000346164318 335383848 /nfs/dbraw/zinc/38/38/48/335383848.db2.gz ILBBLUXFEQJUOO-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(Cl)cc1 ZINC000346164318 335383850 /nfs/dbraw/zinc/38/38/50/335383850.db2.gz ILBBLUXFEQJUOO-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP c1cn(CC[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000346270080 335396638 /nfs/dbraw/zinc/39/66/38/335396638.db2.gz CCKTVLIQCVRGAL-NRFANRHFSA-N 2 2 319.452 4.237 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000346314533 335399294 /nfs/dbraw/zinc/39/92/94/335399294.db2.gz RMFAUOPEAFXZEE-UHFFFAOYSA-N 2 2 324.255 4.163 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000346314533 335399296 /nfs/dbraw/zinc/39/92/96/335399296.db2.gz RMFAUOPEAFXZEE-UHFFFAOYSA-N 2 2 324.255 4.163 20 0 DIADLP c1cc2c(cccc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)[nH]1 ZINC000349412286 335670309 /nfs/dbraw/zinc/67/03/09/335670309.db2.gz YUOVOYYRAHKGKC-UHFFFAOYSA-N 2 2 322.456 4.057 20 0 DIADLP Cc1ccc(C)c([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000323941451 335704445 /nfs/dbraw/zinc/70/44/45/335704445.db2.gz JYPSZYDCERNURN-NRFANRHFSA-N 2 2 319.452 4.269 20 0 DIADLP CSc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000520407009 335975152 /nfs/dbraw/zinc/97/51/52/335975152.db2.gz ZKWOLWHDNWNITM-GOSISDBHSA-N 2 2 315.486 4.052 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628430 336035173 /nfs/dbraw/zinc/03/51/73/336035173.db2.gz XWQZVYDKZLWDNS-XZJROXQQSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628430 336035175 /nfs/dbraw/zinc/03/51/75/336035175.db2.gz XWQZVYDKZLWDNS-XZJROXQQSA-N 2 2 313.272 4.271 20 0 DIADLP CC(C)C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352245245 336206381 /nfs/dbraw/zinc/20/63/81/336206381.db2.gz FPXAHCYRANOBKY-QGZVFWFLSA-N 2 2 317.502 4.082 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000352350187 336213593 /nfs/dbraw/zinc/21/35/93/336213593.db2.gz PCRNSXSYGQRQLX-UHFFFAOYSA-N 2 2 316.832 4.087 20 0 DIADLP C[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(Cl)c1 ZINC000526123860 336219173 /nfs/dbraw/zinc/21/91/73/336219173.db2.gz XRXNHTNUEDCDAO-CYBMUJFWSA-N 2 2 303.837 4.046 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629486 336236596 /nfs/dbraw/zinc/23/65/96/336236596.db2.gz UGNUXWHIOXNTGZ-FXAWDEMLSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629486 336236597 /nfs/dbraw/zinc/23/65/97/336236597.db2.gz UGNUXWHIOXNTGZ-FXAWDEMLSA-N 2 2 320.480 4.033 20 0 DIADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000532463128 336248950 /nfs/dbraw/zinc/24/89/50/336248950.db2.gz QYJTZMMEVBWKBG-HNNXBMFYSA-N 2 2 323.440 4.163 20 0 DIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000532479876 336251436 /nfs/dbraw/zinc/25/14/36/336251436.db2.gz XPJQFSPBDJFDJO-OAHLLOKOSA-N 2 2 323.387 4.006 20 0 DIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000532479873 336251523 /nfs/dbraw/zinc/25/15/23/336251523.db2.gz XPJQFSPBDJFDJO-HNNXBMFYSA-N 2 2 323.387 4.006 20 0 DIADLP CCCc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000324829046 336261097 /nfs/dbraw/zinc/26/10/97/336261097.db2.gz FOXMLRVUFVGCBH-QGZVFWFLSA-N 2 2 323.484 4.354 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000532785686 336271171 /nfs/dbraw/zinc/27/11/71/336271171.db2.gz IFQPMOFTBWZQLZ-UYAOXDASSA-N 2 2 309.457 4.187 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000526949215 336275754 /nfs/dbraw/zinc/27/57/54/336275754.db2.gz NGRVLJFAOFLNGK-ZWOKBUDYSA-N 2 2 314.473 4.190 20 0 DIADLP Fc1ccc2c(NCc3ccc(-n4cc[nH+]c4)cc3)cc[nH+]c2c1 ZINC000301273160 336297956 /nfs/dbraw/zinc/29/79/56/336297956.db2.gz ODFNVFGCSQSJAG-UHFFFAOYSA-N 2 2 318.355 4.172 20 0 DIADLP Cc1cccc(N2CCC(Nc3cc[nH+]c4ccsc43)CC2)[nH+]1 ZINC000301395941 336304200 /nfs/dbraw/zinc/30/42/00/336304200.db2.gz MDZDPULYMWJAJG-UHFFFAOYSA-N 2 2 324.453 4.081 20 0 DIADLP Cc1cc2ccccc2[nH+]c1N1CCC(CCC[NH+](C)C)CC1 ZINC000301940377 336339084 /nfs/dbraw/zinc/33/90/84/336339084.db2.gz UEDJYBBPDWUVOQ-UHFFFAOYSA-N 2 2 311.473 4.101 20 0 DIADLP Cc1[nH+]c2ccccc2c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000302095205 336348178 /nfs/dbraw/zinc/34/81/78/336348178.db2.gz RONAPDPJWLJPCF-IFXJQAMLSA-N 2 2 320.440 4.136 20 0 DIADLP Cc1ccc2[nH+]ccc(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000302165822 336351875 /nfs/dbraw/zinc/35/18/75/336351875.db2.gz REIHQLDIFZHQFD-UHFFFAOYSA-N 2 2 318.424 4.151 20 0 DIADLP CCn1c[nH+]cc1CNc1ccc([NH+]2CCCCCC2)cc1C ZINC000418050028 336398063 /nfs/dbraw/zinc/39/80/63/336398063.db2.gz OCYIOPAKLMGFKF-UHFFFAOYSA-N 2 2 312.461 4.204 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccs1 ZINC000353593643 336427481 /nfs/dbraw/zinc/42/74/81/336427481.db2.gz DFGZHXPOWJHSRA-QGZVFWFLSA-N 2 2 311.454 4.234 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000353660177 336432530 /nfs/dbraw/zinc/43/25/30/336432530.db2.gz MAEMOABDGRCKCY-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP Cc1ccc(CCC[NH2+]CCCO[C@@H](C)c2ccccc2)c[nH+]1 ZINC000353947120 336450624 /nfs/dbraw/zinc/45/06/24/336450624.db2.gz XIRKSBMLKQTZCN-SFHVURJKSA-N 2 2 312.457 4.080 20 0 DIADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c[nH+]1 ZINC000354181802 336462657 /nfs/dbraw/zinc/46/26/57/336462657.db2.gz NLBXFIISHAOUEM-LEWJYISDSA-N 2 2 324.468 4.080 20 0 DIADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000360039224 336698753 /nfs/dbraw/zinc/69/87/53/336698753.db2.gz PGISBNRWRXNQIN-YWZLYKJASA-N 2 2 323.440 4.174 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360147545 336702836 /nfs/dbraw/zinc/70/28/36/336702836.db2.gz GYFFLLPEAYISTE-NSHDSACASA-N 2 2 307.800 4.143 20 0 DIADLP CC1(C)Cc2occc2[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000360486114 336712773 /nfs/dbraw/zinc/71/27/73/336712773.db2.gz VRABIZPYJZZSLP-KRWDZBQOSA-N 2 2 323.440 4.392 20 0 DIADLP c1cc2c(s1)CCC[C@@H]2[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000360495437 336713038 /nfs/dbraw/zinc/71/30/38/336713038.db2.gz LCFSLXRSPPXJHZ-AWEZNQCLSA-N 2 2 311.454 4.224 20 0 DIADLP CC[C@@H]1C[C@@H](C[NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)CCO1 ZINC000361252157 336747029 /nfs/dbraw/zinc/74/70/29/336747029.db2.gz PXYLSDZGVYCPHC-QFBILLFUSA-N 2 2 313.445 4.106 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000361481010 336758405 /nfs/dbraw/zinc/75/84/05/336758405.db2.gz IQPUMMGFRUEHKM-IBGZPJMESA-N 2 2 309.388 4.252 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000361493035 336759092 /nfs/dbraw/zinc/75/90/92/336759092.db2.gz OYUZKXHYQKDGML-HXUWFJFHSA-N 2 2 321.424 4.122 20 0 DIADLP Clc1cccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)c1Cl ZINC000361530414 336761216 /nfs/dbraw/zinc/76/12/16/336761216.db2.gz ZQZGUNSYDHEOHO-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)CCC2 ZINC000361650477 336767149 /nfs/dbraw/zinc/76/71/49/336767149.db2.gz BBMAXDURBBXTMT-KBPBESRZSA-N 2 2 303.837 4.073 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1)CCC2 ZINC000361657661 336767388 /nfs/dbraw/zinc/76/73/88/336767388.db2.gz DEOJDPQBWWAEBH-CVEARBPZSA-N 2 2 315.436 4.176 20 0 DIADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)cc1 ZINC000361659993 336767559 /nfs/dbraw/zinc/76/75/59/336767559.db2.gz JDIFUHVNSKENHU-RDJZCZTQSA-N 2 2 317.864 4.463 20 0 DIADLP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000361663101 336767901 /nfs/dbraw/zinc/76/79/01/336767901.db2.gz SUBHKWVXJOPNSR-MOPGFXCFSA-N 2 2 311.473 4.372 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(C)cc1)C1CC1)CCC2 ZINC000371425493 336903709 /nfs/dbraw/zinc/90/37/09/336903709.db2.gz LZEFEWBBTUVDTJ-MOPGFXCFSA-N 2 2 309.457 4.118 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000373524477 336963758 /nfs/dbraw/zinc/96/37/58/336963758.db2.gz SQROBRVQUYOSNC-JEYLPNPQSA-N 2 2 322.493 4.215 20 0 DIADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)c2ccccc21 ZINC000375273223 337007021 /nfs/dbraw/zinc/00/70/21/337007021.db2.gz YLVJALZNHPAUQC-RTBURBONSA-N 2 2 309.457 4.194 20 0 DIADLP Clc1scc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000375416903 337010774 /nfs/dbraw/zinc/01/07/74/337010774.db2.gz SCMORMYGSPRNFG-UHFFFAOYSA-N 2 2 316.257 4.089 20 0 DIADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(-c3ccccc3)cc1)CCCC2 ZINC000376727370 337040028 /nfs/dbraw/zinc/04/00/28/337040028.db2.gz DNKBCJVXVATPHO-UHFFFAOYSA-N 2 2 317.436 4.176 20 0 DIADLP c1cc(-c2ccccc2)sc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376756124 337040507 /nfs/dbraw/zinc/04/05/07/337040507.db2.gz BXQVHQXISBDBFQ-UHFFFAOYSA-N 2 2 323.465 4.238 20 0 DIADLP Clc1cccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1Cl ZINC000377235449 337049047 /nfs/dbraw/zinc/04/90/47/337049047.db2.gz YQGVDIRCBVATEQ-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP Clc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1Cl ZINC000377235449 337049048 /nfs/dbraw/zinc/04/90/48/337049048.db2.gz YQGVDIRCBVATEQ-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000377660251 337057833 /nfs/dbraw/zinc/05/78/33/337057833.db2.gz VBMXRUHKDPZQTE-UHFFFAOYSA-N 2 2 317.436 4.174 20 0 DIADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cc(F)ccc1F ZINC000378185689 337067951 /nfs/dbraw/zinc/06/79/51/337067951.db2.gz UJGFNRVPOXGGRP-DYVFJYSZSA-N 2 2 319.399 4.088 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000180082563 337173583 /nfs/dbraw/zinc/17/35/83/337173583.db2.gz QALVLXBOTSLWLR-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180610739 337176669 /nfs/dbraw/zinc/17/66/69/337176669.db2.gz DZGTXOAXKSYMMY-KBXCAEBGSA-N 2 2 309.413 4.021 20 0 DIADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180610739 337176670 /nfs/dbraw/zinc/17/66/70/337176670.db2.gz DZGTXOAXKSYMMY-KBXCAEBGSA-N 2 2 309.413 4.021 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1cscn1 ZINC000582856708 337211313 /nfs/dbraw/zinc/21/13/13/337211313.db2.gz DHIYDYMBTHDSJA-CQSZACIVSA-N 2 2 323.550 4.473 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000582857229 337211502 /nfs/dbraw/zinc/21/15/02/337211502.db2.gz XNQDLQXWPYYSQT-UHFFFAOYSA-N 2 2 318.424 4.006 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000321435179 337264904 /nfs/dbraw/zinc/26/49/04/337264904.db2.gz FFEYSOYPPCKAHM-HNNXBMFYSA-N 2 2 312.457 4.102 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000321435179 337264905 /nfs/dbraw/zinc/26/49/05/337264905.db2.gz FFEYSOYPPCKAHM-HNNXBMFYSA-N 2 2 312.457 4.102 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000321786782 337662224 /nfs/dbraw/zinc/66/22/24/337662224.db2.gz TWCPCLZKHLKCFA-UHFFFAOYSA-N 2 2 315.367 4.072 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000422727031 337684352 /nfs/dbraw/zinc/68/43/52/337684352.db2.gz BHIMDWGKHUVCIN-HZPDHXFCSA-N 2 2 307.224 4.228 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(Cl)cc1Cl ZINC000422737365 337684493 /nfs/dbraw/zinc/68/44/93/337684493.db2.gz XMPZTVRQEXDEJO-NFLHVTIKSA-N 2 2 317.235 4.066 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1Cl ZINC000423143842 337701533 /nfs/dbraw/zinc/70/15/33/337701533.db2.gz FCBRLZSSYMGKLG-FDOKIQAASA-N 2 2 304.796 4.275 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146419 337701629 /nfs/dbraw/zinc/70/16/29/337701629.db2.gz PECOVWJDXRUXDE-OTWHNJEPSA-N 2 2 314.379 4.077 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423337612 337712718 /nfs/dbraw/zinc/71/27/18/337712718.db2.gz YNAYBHRCEKBPEL-RDDDGLTNSA-N 2 2 307.652 4.035 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035286282 337742714 /nfs/dbraw/zinc/74/27/14/337742714.db2.gz HELVBPNENWOCOF-NSHDSACASA-N 2 2 319.861 4.410 20 0 DIADLP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000536853388 337745565 /nfs/dbraw/zinc/74/55/65/337745565.db2.gz QODQPFLHRXVODW-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP c1ccc2c(c1)cc[nH+]c2NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000527853609 337769159 /nfs/dbraw/zinc/76/91/59/337769159.db2.gz SZOVEWVEJPBGHE-UHFFFAOYSA-N 2 2 318.424 4.232 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000424343467 337823813 /nfs/dbraw/zinc/82/38/13/337823813.db2.gz FONSDPXCSVEGDI-WLYUNCDWSA-N 2 2 322.880 4.016 20 0 DIADLP Cc1cc([C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)ccc1F ZINC000536951804 337857134 /nfs/dbraw/zinc/85/71/34/337857134.db2.gz UBKDNRDJNDYJIP-HXUWFJFHSA-N 2 2 323.415 4.065 20 0 DIADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514762745 337970255 /nfs/dbraw/zinc/97/02/55/337970255.db2.gz SASXAUGYFIKZPW-HLIPFELVSA-N 2 2 311.473 4.236 20 0 DIADLP CC(C)CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000516354578 338010564 /nfs/dbraw/zinc/01/05/64/338010564.db2.gz SZMFFLPEKDLXOT-QZTJIDSGSA-N 2 2 311.473 4.424 20 0 DIADLP CC(C)CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000516354578 338010565 /nfs/dbraw/zinc/01/05/65/338010565.db2.gz SZMFFLPEKDLXOT-QZTJIDSGSA-N 2 2 311.473 4.424 20 0 DIADLP CCC[NH+](CCC)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428891643 338064625 /nfs/dbraw/zinc/06/46/25/338064625.db2.gz YRZYECSZSPXKSK-UHFFFAOYSA-N 2 2 323.481 4.037 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429029069 338069223 /nfs/dbraw/zinc/06/92/23/338069223.db2.gz NRUGBGRHAMOWHD-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429029069 338069224 /nfs/dbraw/zinc/06/92/24/338069224.db2.gz NRUGBGRHAMOWHD-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429029069 338069225 /nfs/dbraw/zinc/06/92/25/338069225.db2.gz NRUGBGRHAMOWHD-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429029069 338069226 /nfs/dbraw/zinc/06/92/26/338069226.db2.gz NRUGBGRHAMOWHD-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543371 338083472 /nfs/dbraw/zinc/08/34/72/338083472.db2.gz UGXXNOIPQPEPNL-GXTWGEPZSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543371 338083473 /nfs/dbraw/zinc/08/34/73/338083473.db2.gz UGXXNOIPQPEPNL-GXTWGEPZSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543373 338083627 /nfs/dbraw/zinc/08/36/27/338083627.db2.gz UGXXNOIPQPEPNL-OCCSQVGLSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543373 338083628 /nfs/dbraw/zinc/08/36/28/338083628.db2.gz UGXXNOIPQPEPNL-OCCSQVGLSA-N 2 2 315.288 4.471 20 0 DIADLP CCSc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000430212750 338101642 /nfs/dbraw/zinc/10/16/42/338101642.db2.gz PQQILNNURWDJMQ-UHFFFAOYSA-N 2 2 300.471 4.224 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751932 338166365 /nfs/dbraw/zinc/16/63/65/338166365.db2.gz GKSJVHISXIICNQ-NWDGAFQWSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751932 338166366 /nfs/dbraw/zinc/16/63/66/338166366.db2.gz GKSJVHISXIICNQ-NWDGAFQWSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751932 338166367 /nfs/dbraw/zinc/16/63/67/338166367.db2.gz GKSJVHISXIICNQ-NWDGAFQWSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751932 338166368 /nfs/dbraw/zinc/16/63/68/338166368.db2.gz GKSJVHISXIICNQ-NWDGAFQWSA-N 2 2 320.424 4.072 20 0 DIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(Cl)c2Cl)CC1 ZINC000432915487 338172839 /nfs/dbraw/zinc/17/28/39/338172839.db2.gz GTXWOIOROCRZNV-UHFFFAOYSA-N 2 2 319.301 4.115 20 0 DIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2csc(Cl)c2Cl)CC1 ZINC000432915487 338172840 /nfs/dbraw/zinc/17/28/40/338172840.db2.gz GTXWOIOROCRZNV-UHFFFAOYSA-N 2 2 319.301 4.115 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433306313 338190745 /nfs/dbraw/zinc/19/07/45/338190745.db2.gz SALSJBCCJUSSBV-DYVFJYSZSA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433306313 338190746 /nfs/dbraw/zinc/19/07/46/338190746.db2.gz SALSJBCCJUSSBV-DYVFJYSZSA-N 2 2 324.871 4.250 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000434764827 338225222 /nfs/dbraw/zinc/22/52/22/338225222.db2.gz JZFFSVRKIHENQL-BEFAXECRSA-N 2 2 318.480 4.204 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000162849258 338233655 /nfs/dbraw/zinc/23/36/55/338233655.db2.gz RKHPIPYZZUCIJS-GFCCVEGCSA-N 2 2 309.866 4.339 20 0 DIADLP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000435268110 338235862 /nfs/dbraw/zinc/23/58/62/338235862.db2.gz CUKWQAZSZPFXDL-LJQANCHMSA-N 2 2 311.404 4.303 20 0 DIADLP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000435268110 338235863 /nfs/dbraw/zinc/23/58/63/338235863.db2.gz CUKWQAZSZPFXDL-LJQANCHMSA-N 2 2 311.404 4.303 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788513 338249355 /nfs/dbraw/zinc/24/93/55/338249355.db2.gz FIAKHWWMOQFZAN-BRKWEVRTSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788513 338249356 /nfs/dbraw/zinc/24/93/56/338249356.db2.gz FIAKHWWMOQFZAN-BRKWEVRTSA-N 2 2 320.480 4.358 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c[nH+]1 ZINC000437246662 338304719 /nfs/dbraw/zinc/30/47/19/338304719.db2.gz AVLACGWVBCUMAX-RUCARUNLSA-N 2 2 316.395 4.137 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000437697882 338318680 /nfs/dbraw/zinc/31/86/80/338318680.db2.gz YFVLWBAGKOTHJP-UYAOXDASSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000438215128 338336855 /nfs/dbraw/zinc/33/68/55/338336855.db2.gz PVQYFFYDYNVLLQ-TZIWHRDSSA-N 2 2 323.484 4.374 20 0 DIADLP CCc1ccc([C@@H](C[NH2+]C2CCC(C(F)F)CC2)[NH+](C)C)cc1 ZINC000442643045 338426633 /nfs/dbraw/zinc/42/66/33/338426633.db2.gz FNGUGHOWTFQCCR-DAWZGUTISA-N 2 2 324.459 4.265 20 0 DIADLP Cc1ccc([C@H](C[NH2+]C2CCC(C(F)F)CC2)[NH+](C)C)cc1 ZINC000442798206 338432145 /nfs/dbraw/zinc/43/21/45/338432145.db2.gz WBJBCSSVUQDONP-JCYILVPMSA-N 2 2 310.432 4.011 20 0 DIADLP Cc1noc(C)c1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449095765 338593043 /nfs/dbraw/zinc/59/30/43/338593043.db2.gz AVHDZTATPCXBHW-UHFFFAOYSA-N 2 2 321.509 4.060 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449587881 338640071 /nfs/dbraw/zinc/64/00/71/338640071.db2.gz PKEMZXJEAWBFTQ-OAHLLOKOSA-N 2 2 320.358 4.017 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450714570 338700629 /nfs/dbraw/zinc/70/06/29/338700629.db2.gz VERLETZYAQBGND-GDBMZVCRSA-N 2 2 319.399 4.348 20 0 DIADLP Cc1cc(NC2CC[NH+](C3CCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000450881481 338710335 /nfs/dbraw/zinc/71/03/35/338710335.db2.gz RNPZQJRDJXVDGV-UHFFFAOYSA-N 2 2 313.420 4.111 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2sccc21 ZINC000453084168 338791857 /nfs/dbraw/zinc/79/18/57/338791857.db2.gz NTDPTSLFYVWBBV-CZUORRHYSA-N 2 2 315.486 4.052 20 0 DIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](C2CC2)C2CCCC2)[nH+]1 ZINC000453091616 338792789 /nfs/dbraw/zinc/79/27/89/338792789.db2.gz RRIQGTLAMMODDL-NRFANRHFSA-N 2 2 323.484 4.032 20 0 DIADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459348549 339023424 /nfs/dbraw/zinc/02/34/24/339023424.db2.gz YVOVDIGDVCTHGI-INIZCTEOSA-N 2 2 319.452 4.341 20 0 DIADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459348549 339023425 /nfs/dbraw/zinc/02/34/25/339023425.db2.gz YVOVDIGDVCTHGI-INIZCTEOSA-N 2 2 319.452 4.341 20 0 DIADLP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000459416331 339028027 /nfs/dbraw/zinc/02/80/27/339028027.db2.gz VDZKXRKZPQRAKF-CQSZACIVSA-N 2 2 319.399 4.348 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459743338 339045680 /nfs/dbraw/zinc/04/56/80/339045680.db2.gz DCRPNUZSKLKBEM-DKSSEZFCSA-N 2 2 318.892 4.083 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3c4ccccc4CCC[C@H]3C)n2c1 ZINC000462543635 339080953 /nfs/dbraw/zinc/08/09/53/339080953.db2.gz UESXRJTTYWKPBV-IERDGZPVSA-N 2 2 319.452 4.446 20 0 DIADLP CC1(C)CCC([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000462663070 339083701 /nfs/dbraw/zinc/08/37/01/339083701.db2.gz UMWMNFWNUPFOIP-INIZCTEOSA-N 2 2 306.519 4.443 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CC(C)(C)C1 ZINC000462745855 339086532 /nfs/dbraw/zinc/08/65/32/339086532.db2.gz REJVZPBQNPCQLN-HZPDHXFCSA-N 2 2 313.489 4.310 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000462772486 339087877 /nfs/dbraw/zinc/08/78/77/339087877.db2.gz AJWFNAQNQAWQPJ-SFHVURJKSA-N 2 2 307.441 4.144 20 0 DIADLP CCOC[C@@H]1CCC[C@H]1[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000463028451 339101486 /nfs/dbraw/zinc/10/14/86/339101486.db2.gz ASQAZSVZLQPGDT-QFBILLFUSA-N 2 2 313.445 4.106 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CS[C@H](C(C)C)C3)cc2)c1C ZINC000463032664 339101926 /nfs/dbraw/zinc/10/19/26/339101926.db2.gz ISJBSIXOKFRGTO-AEFFLSMTSA-N 2 2 315.486 4.431 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000463068719 339103902 /nfs/dbraw/zinc/10/39/02/339103902.db2.gz LVQSZVXOFFQLQC-MRXNPFEDSA-N 2 2 318.892 4.250 20 0 DIADLP CCC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)CC(F)F ZINC000463083770 339105142 /nfs/dbraw/zinc/10/51/42/339105142.db2.gz HUBPYXMRHGKNJJ-UHFFFAOYSA-N 2 2 323.431 4.492 20 0 DIADLP CCC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)CC(F)F ZINC000463083770 339105143 /nfs/dbraw/zinc/10/51/43/339105143.db2.gz HUBPYXMRHGKNJJ-UHFFFAOYSA-N 2 2 323.431 4.492 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000463165252 339107800 /nfs/dbraw/zinc/10/78/00/339107800.db2.gz VPJFPGSGAVQKJM-PBEJRMEISA-N 2 2 317.436 4.327 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H]1C ZINC000463239673 339111227 /nfs/dbraw/zinc/11/12/27/339111227.db2.gz ZKSITHOBVAFFIS-ILXRZTDVSA-N 2 2 320.443 4.065 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000463240958 339111321 /nfs/dbraw/zinc/11/13/21/339111321.db2.gz YAASDWPSHMZYNX-GOSISDBHSA-N 2 2 318.892 4.227 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000463240959 339111370 /nfs/dbraw/zinc/11/13/70/339111370.db2.gz YAASDWPSHMZYNX-SFHVURJKSA-N 2 2 318.892 4.227 20 0 DIADLP CC[N@H+](CCC1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809476 339154810 /nfs/dbraw/zinc/15/48/10/339154810.db2.gz ZWRUTQALVUGJHZ-UHFFFAOYSA-N 2 2 315.505 4.200 20 0 DIADLP CC[N@@H+](CCC1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809476 339154811 /nfs/dbraw/zinc/15/48/11/339154811.db2.gz ZWRUTQALVUGJHZ-UHFFFAOYSA-N 2 2 315.505 4.200 20 0 DIADLP C[C@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000466395756 339202382 /nfs/dbraw/zinc/20/23/82/339202382.db2.gz LFTITDKCKQGVMK-OAHLLOKOSA-N 2 2 311.454 4.217 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420700 339203802 /nfs/dbraw/zinc/20/38/02/339203802.db2.gz FIAKHWWMOQFZAN-KBCPNONKSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420700 339203803 /nfs/dbraw/zinc/20/38/03/339203803.db2.gz FIAKHWWMOQFZAN-KBCPNONKSA-N 2 2 320.480 4.358 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467329555 339231893 /nfs/dbraw/zinc/23/18/93/339231893.db2.gz CCCYTSPXZDSPSB-CQSZACIVSA-N 2 2 322.374 4.172 20 0 DIADLP CCCCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000468393117 339261619 /nfs/dbraw/zinc/26/16/19/339261619.db2.gz RUPHDEMKOOSRAB-IEBWSBKVSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000468393117 339261620 /nfs/dbraw/zinc/26/16/20/339261620.db2.gz RUPHDEMKOOSRAB-IEBWSBKVSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000468393117 339261621 /nfs/dbraw/zinc/26/16/21/339261621.db2.gz RUPHDEMKOOSRAB-IEBWSBKVSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000468393117 339261622 /nfs/dbraw/zinc/26/16/22/339261622.db2.gz RUPHDEMKOOSRAB-IEBWSBKVSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000468412092 339262427 /nfs/dbraw/zinc/26/24/27/339262427.db2.gz MGJWIESRCVWIRD-GOSISDBHSA-N 2 2 318.505 4.029 20 0 DIADLP CCCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000468412092 339262428 /nfs/dbraw/zinc/26/24/28/339262428.db2.gz MGJWIESRCVWIRD-GOSISDBHSA-N 2 2 318.505 4.029 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000468509875 339264988 /nfs/dbraw/zinc/26/49/88/339264988.db2.gz BLVDVSFOMAAWPN-MAUKXSAKSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468509875 339264989 /nfs/dbraw/zinc/26/49/89/339264989.db2.gz BLVDVSFOMAAWPN-MAUKXSAKSA-N 2 2 322.443 4.065 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1)CCC2 ZINC000468552280 339266075 /nfs/dbraw/zinc/26/60/75/339266075.db2.gz GVORCTYWAYSDJZ-AABGKKOBSA-N 2 2 323.484 4.303 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000468553511 339266133 /nfs/dbraw/zinc/26/61/33/339266133.db2.gz KPYFAVFGHXARJG-IEBWSBKVSA-N 2 2 324.553 4.070 20 0 DIADLP CC(C)c1ccc(CC[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000469046562 339278537 /nfs/dbraw/zinc/27/85/37/339278537.db2.gz SFKPKUCMAYASFD-UHFFFAOYSA-N 2 2 311.473 4.229 20 0 DIADLP Cc1cc[nH+]c(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000469559430 339293267 /nfs/dbraw/zinc/29/32/67/339293267.db2.gz YASKODKQKBRPCO-OAHLLOKOSA-N 2 2 323.362 4.124 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469744232 339297472 /nfs/dbraw/zinc/29/74/72/339297472.db2.gz ZIYIVLUSPSCYHX-ZWKOTPCHSA-N 2 2 316.832 4.339 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000471610153 339349352 /nfs/dbraw/zinc/34/93/52/339349352.db2.gz LYWFYQLMGKGGSG-RZQQEMMASA-N 2 2 312.457 4.037 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000471618717 339349850 /nfs/dbraw/zinc/34/98/50/339349850.db2.gz LLPHHWHOHREIPY-DOXZYTNZSA-N 2 2 300.421 4.168 20 0 DIADLP C[C@H]([NH2+]Cc1coc2ccccc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000472063503 339361676 /nfs/dbraw/zinc/36/16/76/339361676.db2.gz DSUKLIKPMNTSIS-YWZLYKJASA-N 2 2 308.425 4.214 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000474042094 339398490 /nfs/dbraw/zinc/39/84/90/339398490.db2.gz WUJWNXYLXNEGLL-HDMKZQKVSA-N 2 2 324.459 4.481 20 0 DIADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474056071 339399688 /nfs/dbraw/zinc/39/96/88/339399688.db2.gz QGYHKXRLLANDGH-CVEARBPZSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474056071 339399689 /nfs/dbraw/zinc/39/96/89/339399689.db2.gz QGYHKXRLLANDGH-CVEARBPZSA-N 2 2 324.459 4.311 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC(COc3ccccc3)CC2)c[nH+]1 ZINC000474152308 339404551 /nfs/dbraw/zinc/40/45/51/339404551.db2.gz QGPVGLDDNMUEDM-UHFFFAOYSA-N 2 2 324.468 4.114 20 0 DIADLP Cc1ccc(CCC[NH2+]CCc2ccccc2C(F)(F)F)c[nH+]1 ZINC000474606234 339419653 /nfs/dbraw/zinc/41/96/53/339419653.db2.gz SKROKMYOSATQRD-UHFFFAOYSA-N 2 2 322.374 4.174 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474797434 339426419 /nfs/dbraw/zinc/42/64/19/339426419.db2.gz RWCKGEDKOYYFDJ-MSOLQXFVSA-N 2 2 324.553 4.070 20 0 DIADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000474800005 339426656 /nfs/dbraw/zinc/42/66/56/339426656.db2.gz RAOGMCWWKZVODS-HZPDHXFCSA-N 2 2 314.395 4.281 20 0 DIADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000474808693 339427369 /nfs/dbraw/zinc/42/73/69/339427369.db2.gz MPARVKJQSAQYOB-RTWAWAEBSA-N 2 2 324.468 4.141 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)C1CCSCC1)[NH+](C)C ZINC000475097333 339438646 /nfs/dbraw/zinc/43/86/46/339438646.db2.gz ZBWPQMHBBAJGNU-BXWFABGCSA-N 2 2 320.546 4.108 20 0 DIADLP CCCC[C@@H](CC)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475334486 339447187 /nfs/dbraw/zinc/44/71/87/339447187.db2.gz KYOIPINEQKWWQQ-QQFBHYJXSA-N 2 2 320.443 4.350 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@@H](c4ccc(F)cc4)C3)c[nH+]c12 ZINC000475349314 339448520 /nfs/dbraw/zinc/44/85/20/339448520.db2.gz WLZBNRADQXLYDX-AEFFLSMTSA-N 2 2 323.415 4.208 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000479525945 339539365 /nfs/dbraw/zinc/53/93/65/339539365.db2.gz IMUVJRUSLXTOIV-IBGZPJMESA-N 2 2 323.827 4.303 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)o1 ZINC000480080402 339558156 /nfs/dbraw/zinc/55/81/56/339558156.db2.gz GHAODUFRCFHLSZ-CQSZACIVSA-N 2 2 311.429 4.241 20 0 DIADLP CCC[C@H](C)[C@@H](CC)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480521703 339575823 /nfs/dbraw/zinc/57/58/23/339575823.db2.gz BQXJJHCZNRMNQH-PKOBYXMFSA-N 2 2 313.489 4.278 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000480756354 339585905 /nfs/dbraw/zinc/58/59/05/339585905.db2.gz JZJAUMMPBUGWMP-CJNGLKHVSA-N 2 2 311.454 4.154 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1C ZINC000481421135 339603764 /nfs/dbraw/zinc/60/37/64/339603764.db2.gz HWFDKRGQIXKTEL-INIZCTEOSA-N 2 2 307.441 4.463 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+]CC[C@@H](C)CCC=C(C)C)CC1 ZINC000482246374 339627437 /nfs/dbraw/zinc/62/74/37/339627437.db2.gz PUUYAQBXSLVNRE-SFHVURJKSA-N 2 2 324.553 4.238 20 0 DIADLP Cc1ccc(C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000482247405 339627534 /nfs/dbraw/zinc/62/75/34/339627534.db2.gz MBOQXHUYXONKAY-HXUWFJFHSA-N 2 2 323.484 4.193 20 0 DIADLP Cc1ccc2ccccc2c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000485410440 339702802 /nfs/dbraw/zinc/70/28/02/339702802.db2.gz PARLSYUZJJHHLX-UHFFFAOYSA-N 2 2 305.425 4.251 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498796624 340023434 /nfs/dbraw/zinc/02/34/34/340023434.db2.gz WAXNKVUNCVIMQS-HXUWFJFHSA-N 2 2 310.416 4.297 20 0 DIADLP Clc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000499051170 340028469 /nfs/dbraw/zinc/02/84/69/340028469.db2.gz ANNSXWDVKQWFJI-QGZVFWFLSA-N 2 2 303.837 4.154 20 0 DIADLP Clc1ccc([C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000499051170 340028470 /nfs/dbraw/zinc/02/84/70/340028470.db2.gz ANNSXWDVKQWFJI-QGZVFWFLSA-N 2 2 303.837 4.154 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500423770 340058043 /nfs/dbraw/zinc/05/80/43/340058043.db2.gz AWAUJZDDQDOFKI-CRAIPNDOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500423770 340058044 /nfs/dbraw/zinc/05/80/44/340058044.db2.gz AWAUJZDDQDOFKI-CRAIPNDOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440693 340058842 /nfs/dbraw/zinc/05/88/42/340058842.db2.gz NIDSJLPFQMSDJQ-CRAIPNDOSA-N 2 2 322.443 4.237 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440693 340058843 /nfs/dbraw/zinc/05/88/43/340058843.db2.gz NIDSJLPFQMSDJQ-CRAIPNDOSA-N 2 2 322.443 4.237 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000500448045 340059117 /nfs/dbraw/zinc/05/91/17/340059117.db2.gz UQBBMCKEMGVULM-CQSZACIVSA-N 2 2 311.454 4.215 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)c[nH+]c12 ZINC000500465312 340059800 /nfs/dbraw/zinc/05/98/00/340059800.db2.gz ZRVOBQNBOHVDCJ-GOSISDBHSA-N 2 2 311.404 4.269 20 0 DIADLP CC[C@@H]1C[C@@]1([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C)c1 ZINC000500538976 340061903 /nfs/dbraw/zinc/06/19/03/340061903.db2.gz VXZCDHOFLCESEA-UZLBHIALSA-N 2 2 305.425 4.058 20 0 DIADLP CC(C)OC[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000501446124 340081204 /nfs/dbraw/zinc/08/12/04/340081204.db2.gz SDZUKIRDAMZNBW-ROUUACIJSA-N 2 2 318.505 4.053 20 0 DIADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000502307855 340099347 /nfs/dbraw/zinc/09/93/47/340099347.db2.gz FGLOLHPCXLWXCL-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000502307855 340099348 /nfs/dbraw/zinc/09/93/48/340099348.db2.gz FGLOLHPCXLWXCL-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000502344619 340100311 /nfs/dbraw/zinc/10/03/11/340100311.db2.gz WDABVYRGXNTNGQ-KBXCAEBGSA-N 2 2 306.881 4.083 20 0 DIADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503593013 340132040 /nfs/dbraw/zinc/13/20/40/340132040.db2.gz SFNZNMZNHQIGHP-HZPDHXFCSA-N 2 2 314.429 4.034 20 0 DIADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C(C)C)cc3)[nH+]c12 ZINC000505875848 340180431 /nfs/dbraw/zinc/18/04/31/340180431.db2.gz CDNXZTDHIHLDOG-UHFFFAOYSA-N 2 2 323.440 4.062 20 0 DIADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)C(C)C)cc3)[nH+]c12 ZINC000505875848 340180432 /nfs/dbraw/zinc/18/04/32/340180432.db2.gz CDNXZTDHIHLDOG-UHFFFAOYSA-N 2 2 323.440 4.062 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000507354211 340217853 /nfs/dbraw/zinc/21/78/53/340217853.db2.gz ACMMDQIIWJZOOV-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000507354211 340217854 /nfs/dbraw/zinc/21/78/54/340217854.db2.gz ACMMDQIIWJZOOV-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC(C)(C)CCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507513904 340223609 /nfs/dbraw/zinc/22/36/09/340223609.db2.gz RUQHJQCHBYHLLE-UHFFFAOYSA-N 2 2 308.432 4.209 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000300412920 340225357 /nfs/dbraw/zinc/22/53/57/340225357.db2.gz WWTHXUCPAYDUIY-UTLUCORTSA-N 2 2 307.290 4.188 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000300412920 340225358 /nfs/dbraw/zinc/22/53/58/340225358.db2.gz WWTHXUCPAYDUIY-UTLUCORTSA-N 2 2 307.290 4.188 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000507808716 340232435 /nfs/dbraw/zinc/23/24/35/340232435.db2.gz BZIZNCVWVRMMLB-QGZVFWFLSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000507808716 340232436 /nfs/dbraw/zinc/23/24/36/340232436.db2.gz BZIZNCVWVRMMLB-QGZVFWFLSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([NH+](C)C)CC3)s2)cc1 ZINC000508050800 340238331 /nfs/dbraw/zinc/23/83/31/340238331.db2.gz CDDXUWDYSJLBBE-UHFFFAOYSA-N 2 2 314.498 4.250 20 0 DIADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000508694976 340250871 /nfs/dbraw/zinc/25/08/71/340250871.db2.gz NSAOPXLXZXQKKK-SFHVURJKSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000508694976 340250872 /nfs/dbraw/zinc/25/08/72/340250872.db2.gz NSAOPXLXZXQKKK-SFHVURJKSA-N 2 2 306.881 4.099 20 0 DIADLP C[N@H+](CCCNc1ccc2ccccc2[nH+]1)Cc1ccccc1 ZINC000302796072 340282123 /nfs/dbraw/zinc/28/21/23/340282123.db2.gz QTBNNULKCMMXPJ-UHFFFAOYSA-N 2 2 305.425 4.169 20 0 DIADLP C[N@@H+](CCCNc1ccc2ccccc2[nH+]1)Cc1ccccc1 ZINC000302796072 340282124 /nfs/dbraw/zinc/28/21/24/340282124.db2.gz QTBNNULKCMMXPJ-UHFFFAOYSA-N 2 2 305.425 4.169 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2c(Cl)oc3ccccc32)CC1 ZINC000510467569 340300290 /nfs/dbraw/zinc/30/02/90/340300290.db2.gz OCMZJFTWPDFPRX-UHFFFAOYSA-N 2 2 320.864 4.392 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(Cl)oc3ccccc32)CC1 ZINC000510467569 340300291 /nfs/dbraw/zinc/30/02/91/340300291.db2.gz OCMZJFTWPDFPRX-UHFFFAOYSA-N 2 2 320.864 4.392 20 0 DIADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000510533160 340302073 /nfs/dbraw/zinc/30/20/73/340302073.db2.gz JCOXDFZDVIIGSH-CYBMUJFWSA-N 2 2 303.475 4.148 20 0 DIADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000510533160 340302074 /nfs/dbraw/zinc/30/20/74/340302074.db2.gz JCOXDFZDVIIGSH-CYBMUJFWSA-N 2 2 303.475 4.148 20 0 DIADLP Fc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1F ZINC000303142184 340305240 /nfs/dbraw/zinc/30/52/40/340305240.db2.gz DBRGIHDBOKESQW-INIZCTEOSA-N 2 2 322.443 4.053 20 0 DIADLP Fc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1F ZINC000303142184 340305241 /nfs/dbraw/zinc/30/52/41/340305241.db2.gz DBRGIHDBOKESQW-INIZCTEOSA-N 2 2 322.443 4.053 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510696903 340307067 /nfs/dbraw/zinc/30/70/67/340307067.db2.gz SIHSDFFNKBNPFO-DLBZAZTESA-N 2 2 317.452 4.243 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510696915 340307098 /nfs/dbraw/zinc/30/70/98/340307098.db2.gz SIHSDFFNKBNPFO-IAGOWNOFSA-N 2 2 317.452 4.243 20 0 DIADLP c1csc([C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)[NH+]2CCCC2)c1 ZINC000510729201 340308341 /nfs/dbraw/zinc/30/83/41/340308341.db2.gz BFLCYDUYMLMISD-IKGGRYGDSA-N 2 2 304.503 4.053 20 0 DIADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000510740633 340309018 /nfs/dbraw/zinc/30/90/18/340309018.db2.gz VLAWCSRDQJAGOI-GVDBMIGSSA-N 2 2 324.509 4.393 20 0 DIADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000510740665 340309074 /nfs/dbraw/zinc/30/90/74/340309074.db2.gz VXVBRSCWHJESSM-DFQSSKMNSA-N 2 2 318.480 4.332 20 0 DIADLP Clc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000510807734 340311653 /nfs/dbraw/zinc/31/16/53/340311653.db2.gz BYAUDKLSCRJYHG-PCKAHOCUSA-N 2 2 318.892 4.193 20 0 DIADLP Clc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000510807734 340311654 /nfs/dbraw/zinc/31/16/54/340311654.db2.gz BYAUDKLSCRJYHG-PCKAHOCUSA-N 2 2 318.892 4.193 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2occc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000511897690 340342313 /nfs/dbraw/zinc/34/23/13/340342313.db2.gz UQUYWQCYGNPRSL-MGPUTAFESA-N 2 2 308.425 4.214 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194457 340351895 /nfs/dbraw/zinc/35/18/95/340351895.db2.gz LAKGLADFDFJXGT-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194457 340351896 /nfs/dbraw/zinc/35/18/96/340351896.db2.gz LAKGLADFDFJXGT-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000512194457 340351897 /nfs/dbraw/zinc/35/18/97/340351897.db2.gz LAKGLADFDFJXGT-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000512194457 340351898 /nfs/dbraw/zinc/35/18/98/340351898.db2.gz LAKGLADFDFJXGT-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194455 340351958 /nfs/dbraw/zinc/35/19/58/340351958.db2.gz LAKGLADFDFJXGT-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194455 340351959 /nfs/dbraw/zinc/35/19/59/340351959.db2.gz LAKGLADFDFJXGT-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000512194455 340351960 /nfs/dbraw/zinc/35/19/60/340351960.db2.gz LAKGLADFDFJXGT-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000512194455 340351961 /nfs/dbraw/zinc/35/19/61/340351961.db2.gz LAKGLADFDFJXGT-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212686 340352564 /nfs/dbraw/zinc/35/25/64/340352564.db2.gz ODJDFDHNUKIKLC-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212686 340352565 /nfs/dbraw/zinc/35/25/65/340352565.db2.gz ODJDFDHNUKIKLC-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000512212686 340352566 /nfs/dbraw/zinc/35/25/66/340352566.db2.gz ODJDFDHNUKIKLC-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000512212686 340352567 /nfs/dbraw/zinc/35/25/67/340352567.db2.gz ODJDFDHNUKIKLC-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214237 340352759 /nfs/dbraw/zinc/35/27/59/340352759.db2.gz VKWBEIDZYSUTMT-WBVHZDCISA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214237 340352760 /nfs/dbraw/zinc/35/27/60/340352760.db2.gz VKWBEIDZYSUTMT-WBVHZDCISA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214237 340352761 /nfs/dbraw/zinc/35/27/61/340352761.db2.gz VKWBEIDZYSUTMT-WBVHZDCISA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214237 340352762 /nfs/dbraw/zinc/35/27/62/340352762.db2.gz VKWBEIDZYSUTMT-WBVHZDCISA-N 2 2 322.443 4.051 20 0 DIADLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513234105 340398684 /nfs/dbraw/zinc/39/86/84/340398684.db2.gz SFFDBZZFGIOFHP-INIZCTEOSA-N 2 2 308.897 4.473 20 0 DIADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000564148393 340481633 /nfs/dbraw/zinc/48/16/33/340481633.db2.gz PASFJXRIBPINLR-IRXDYDNUSA-N 2 2 303.494 4.173 20 0 DIADLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(Cl)c1F ZINC000185850242 340506019 /nfs/dbraw/zinc/50/60/19/340506019.db2.gz HQKMUTZSLWAAAL-UHFFFAOYSA-N 2 2 317.795 4.152 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H](C)c3cc4ccccc4o3)c[nH+]c12 ZINC000189097219 340526999 /nfs/dbraw/zinc/52/69/99/340526999.db2.gz CYLLRKQEDCESPC-AWEZNQCLSA-N 2 2 305.381 4.240 20 0 DIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000522536288 340603679 /nfs/dbraw/zinc/60/36/79/340603679.db2.gz GVBFTCQWRIWOLY-CQSZACIVSA-N 2 2 318.848 4.248 20 0 DIADLP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236721526 340664187 /nfs/dbraw/zinc/66/41/87/340664187.db2.gz RJHDGVKXSRDGQF-ROUUACIJSA-N 2 2 315.505 4.245 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000237565159 340672089 /nfs/dbraw/zinc/67/20/89/340672089.db2.gz SVLSWQSTDWSBCG-INIZCTEOSA-N 2 2 307.441 4.128 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C/C=C(/C)Cl)CC1 ZINC000528432027 340718674 /nfs/dbraw/zinc/71/86/74/340718674.db2.gz OSJCXBZASCQLFR-ZSOIEALJSA-N 2 2 317.864 4.378 20 0 DIADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530221265 340782869 /nfs/dbraw/zinc/78/28/69/340782869.db2.gz PGLMZKZDQUHRGM-HOTGVXAUSA-N 2 2 324.390 4.031 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000537942870 340792179 /nfs/dbraw/zinc/79/21/79/340792179.db2.gz RKEYWMVLFZWEHL-NRFANRHFSA-N 2 2 320.411 4.451 20 0 DIADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2c(s1)CCCC2 ZINC000538985964 340864400 /nfs/dbraw/zinc/86/44/00/340864400.db2.gz OEQIPYQEYTYSFK-XJKSGUPXSA-N 2 2 323.550 4.039 20 0 DIADLP c1cn(-c2csc(C[NH2+]C3(Cc4ccccc4)CCC3)c2)c[nH+]1 ZINC000542315976 341004190 /nfs/dbraw/zinc/00/41/90/341004190.db2.gz YYSPNIQVEWCSCK-UHFFFAOYSA-N 2 2 323.465 4.189 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](C)CC1CCCCC1)CCC2 ZINC000542722388 341018936 /nfs/dbraw/zinc/01/89/36/341018936.db2.gz DKRMLTOBUYMFQA-CRAIPNDOSA-N 2 2 303.494 4.265 20 0 DIADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000542845518 341023187 /nfs/dbraw/zinc/02/31/87/341023187.db2.gz AVNJHABTKOOUEO-KRWDZBQOSA-N 2 2 323.843 4.443 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644084 341035922 /nfs/dbraw/zinc/03/59/22/341035922.db2.gz QEKSICHQBSPQGF-GRYCIOLGSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644084 341035923 /nfs/dbraw/zinc/03/59/23/341035923.db2.gz QEKSICHQBSPQGF-GRYCIOLGSA-N 2 2 301.261 4.127 20 0 DIADLP c1cn(CCCC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c[nH+]1 ZINC000543062067 341030037 /nfs/dbraw/zinc/03/00/37/341030037.db2.gz BHFFHRHQSFBDGS-NRFANRHFSA-N 2 2 323.484 4.453 20 0 DIADLP c1cn(CCCC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c[nH+]1 ZINC000543062068 341030062 /nfs/dbraw/zinc/03/00/62/341030062.db2.gz BHFFHRHQSFBDGS-OAQYLSRUSA-N 2 2 323.484 4.453 20 0 DIADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)c(Cl)c1 ZINC000130630021 341034774 /nfs/dbraw/zinc/03/47/74/341034774.db2.gz HYXMFWOTUUALDT-GFCCVEGCSA-N 2 2 317.795 4.020 20 0 DIADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394655 341041693 /nfs/dbraw/zinc/04/16/93/341041693.db2.gz XEJRMIRFRZJZMJ-JKIFEVAISA-N 2 2 301.459 4.087 20 0 DIADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394655 341041694 /nfs/dbraw/zinc/04/16/94/341041694.db2.gz XEJRMIRFRZJZMJ-JKIFEVAISA-N 2 2 301.459 4.087 20 0 DIADLP C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396842 341042114 /nfs/dbraw/zinc/04/21/14/341042114.db2.gz WMWGZKYWPNCDKE-LJQANCHMSA-N 2 2 323.465 4.097 20 0 DIADLP C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396842 341042115 /nfs/dbraw/zinc/04/21/15/341042115.db2.gz WMWGZKYWPNCDKE-LJQANCHMSA-N 2 2 323.465 4.097 20 0 DIADLP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397749 341042333 /nfs/dbraw/zinc/04/23/33/341042333.db2.gz DRBYAPJZWUYWNH-DOTOQJQBSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397749 341042334 /nfs/dbraw/zinc/04/23/34/341042334.db2.gz DRBYAPJZWUYWNH-DOTOQJQBSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(-c2ccccc2)s1 ZINC000543600836 341050508 /nfs/dbraw/zinc/05/05/08/341050508.db2.gz JBIPLALTYSOGAA-LSDHHAIUSA-N 2 2 311.454 4.351 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072451 341069285 /nfs/dbraw/zinc/06/92/85/341069285.db2.gz WNSHGTRZAXAJMW-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072451 341069286 /nfs/dbraw/zinc/06/92/86/341069286.db2.gz WNSHGTRZAXAJMW-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072451 341069287 /nfs/dbraw/zinc/06/92/87/341069287.db2.gz WNSHGTRZAXAJMW-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072451 341069288 /nfs/dbraw/zinc/06/92/88/341069288.db2.gz WNSHGTRZAXAJMW-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(C)(C)C)cc1 ZINC000545201516 341113419 /nfs/dbraw/zinc/11/34/19/341113419.db2.gz SYXKUDBFSZGNBS-INIZCTEOSA-N 2 2 315.461 4.191 20 0 DIADLP CC1(c2ccccc2)CC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000545961627 341148586 /nfs/dbraw/zinc/14/85/86/341148586.db2.gz RQPCXMNCJQFOEK-UHFFFAOYSA-N 2 2 323.465 4.144 20 0 DIADLP Cc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)s1 ZINC000546021913 341151666 /nfs/dbraw/zinc/15/16/66/341151666.db2.gz XBTPRMNCZRKKFT-KDOFPFPSSA-N 2 2 302.487 4.146 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000133126135 341156335 /nfs/dbraw/zinc/15/63/35/341156335.db2.gz DFQUWUKLFCFWCW-GJZGRUSLSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000133126135 341156336 /nfs/dbraw/zinc/15/63/36/341156336.db2.gz DFQUWUKLFCFWCW-GJZGRUSLSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000133126135 341156337 /nfs/dbraw/zinc/15/63/37/341156337.db2.gz DFQUWUKLFCFWCW-GJZGRUSLSA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000133126135 341156338 /nfs/dbraw/zinc/15/63/38/341156338.db2.gz DFQUWUKLFCFWCW-GJZGRUSLSA-N 2 2 309.523 4.052 20 0 DIADLP CC[N@H+](CCCc1c[nH+]ccc1C)Cc1c[nH]c2ccccc12 ZINC000564302184 341165494 /nfs/dbraw/zinc/16/54/94/341165494.db2.gz OXJMUXJLPVTLJW-UHFFFAOYSA-N 2 2 307.441 4.326 20 0 DIADLP CC[N@@H+](CCCc1c[nH+]ccc1C)Cc1c[nH]c2ccccc12 ZINC000564302184 341165495 /nfs/dbraw/zinc/16/54/95/341165495.db2.gz OXJMUXJLPVTLJW-UHFFFAOYSA-N 2 2 307.441 4.326 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000133947732 341202354 /nfs/dbraw/zinc/20/23/54/341202354.db2.gz PSAWBKZVMPEDJM-DUXKGJEZSA-N 2 2 308.469 4.157 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000133947732 341202355 /nfs/dbraw/zinc/20/23/55/341202355.db2.gz PSAWBKZVMPEDJM-DUXKGJEZSA-N 2 2 308.469 4.157 20 0 DIADLP Cc1csc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000134231044 341210316 /nfs/dbraw/zinc/21/03/16/341210316.db2.gz DEZWJGOPHVXEQX-KGLIPLIRSA-N 2 2 312.442 4.049 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc4c(c3)CCCC4)c[nH+]c12 ZINC000237360159 341212550 /nfs/dbraw/zinc/21/25/50/341212550.db2.gz OQQSTHDCTRMUJR-MRXNPFEDSA-N 2 2 319.452 4.372 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235791 341289274 /nfs/dbraw/zinc/28/92/74/341289274.db2.gz OBEOIIYMCOTAIN-NEWSRXKRSA-N 2 2 309.457 4.056 20 0 DIADLP c1cn(CCCC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)c[nH+]1 ZINC000549932376 341307200 /nfs/dbraw/zinc/30/72/00/341307200.db2.gz PNHVCXSYUZZLPA-LJQANCHMSA-N 2 2 301.478 4.264 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000550624262 341319707 /nfs/dbraw/zinc/31/97/07/341319707.db2.gz MDWRYVZOWGUZGT-AZUAARDMSA-N 2 2 320.436 4.358 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000550624262 341319708 /nfs/dbraw/zinc/31/97/08/341319708.db2.gz MDWRYVZOWGUZGT-AZUAARDMSA-N 2 2 320.436 4.358 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)c2ccccc21 ZINC000550679976 341321215 /nfs/dbraw/zinc/32/12/15/341321215.db2.gz DRQLPKJQCHPHOW-CKNLXJGOSA-N 2 2 312.432 4.112 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)c2ccccc21 ZINC000550679976 341321216 /nfs/dbraw/zinc/32/12/16/341321216.db2.gz DRQLPKJQCHPHOW-CKNLXJGOSA-N 2 2 312.432 4.112 20 0 DIADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000246042397 341322775 /nfs/dbraw/zinc/32/27/75/341322775.db2.gz SBDSTNFFFJHGOI-KBXCAEBGSA-N 2 2 318.486 4.076 20 0 DIADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000246042397 341322776 /nfs/dbraw/zinc/32/27/76/341322776.db2.gz SBDSTNFFFJHGOI-KBXCAEBGSA-N 2 2 318.486 4.076 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCC34CCCC4)c2)c[nH+]1 ZINC000551001715 341328807 /nfs/dbraw/zinc/32/88/07/341328807.db2.gz XLUPQPGSMOSRQZ-LJQANCHMSA-N 2 2 309.457 4.134 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000551271991 341336464 /nfs/dbraw/zinc/33/64/64/341336464.db2.gz HUABDDMWXIRWTC-LRQRDZAKSA-N 2 2 317.436 4.327 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H](C)c1ccc(Cl)cc1 ZINC000551572868 341346065 /nfs/dbraw/zinc/34/60/65/341346065.db2.gz XOOCOASLMYNDQJ-KGLIPLIRSA-N 2 2 317.864 4.155 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000551812651 341352775 /nfs/dbraw/zinc/35/27/75/341352775.db2.gz OWHHUWMWFNZGBA-QGZVFWFLSA-N 2 2 315.848 4.040 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000247979772 341371800 /nfs/dbraw/zinc/37/18/00/341371800.db2.gz MFLLNONTVNWBNM-IEZWGBDMSA-N 2 2 312.457 4.292 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000247979772 341371801 /nfs/dbraw/zinc/37/18/01/341371801.db2.gz MFLLNONTVNWBNM-IEZWGBDMSA-N 2 2 312.457 4.292 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1c(F)cccc1F ZINC000248390166 341376311 /nfs/dbraw/zinc/37/63/11/341376311.db2.gz BGRWXUCRIHQDHS-KKUMJFAQSA-N 2 2 322.443 4.268 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1c(F)cccc1F ZINC000248390166 341376312 /nfs/dbraw/zinc/37/63/12/341376312.db2.gz BGRWXUCRIHQDHS-KKUMJFAQSA-N 2 2 322.443 4.268 20 0 DIADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000552369937 341389548 /nfs/dbraw/zinc/38/95/48/341389548.db2.gz LRPFLFFSMVJQBI-QKLQHJQFSA-N 2 2 311.473 4.236 20 0 DIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000248913954 341390094 /nfs/dbraw/zinc/39/00/94/341390094.db2.gz CQCKCPQJYRDQPN-CVEARBPZSA-N 2 2 323.550 4.285 20 0 DIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000248913954 341390095 /nfs/dbraw/zinc/39/00/95/341390095.db2.gz CQCKCPQJYRDQPN-CVEARBPZSA-N 2 2 323.550 4.285 20 0 DIADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050815 341412872 /nfs/dbraw/zinc/41/28/72/341412872.db2.gz ATEWHMSGZCVVET-IRXDYDNUSA-N 2 2 321.468 4.288 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)c2ccccc21 ZINC000262337136 341518797 /nfs/dbraw/zinc/51/87/97/341518797.db2.gz TYGJBUNZMXYCCV-IXDOHACOSA-N 2 2 314.429 4.097 20 0 DIADLP CCC(CC)([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(Cl)cc1 ZINC000565242631 341521243 /nfs/dbraw/zinc/52/12/43/341521243.db2.gz QJDRGUMTPUBYKR-UHFFFAOYSA-N 2 2 305.853 4.187 20 0 DIADLP CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000565618574 341532900 /nfs/dbraw/zinc/53/29/00/341532900.db2.gz DCQMAMILOALKCC-MRXNPFEDSA-N 2 2 323.440 4.015 20 0 DIADLP CC[NH+](CC)Cc1cccc(NCCCc2c[nH+]ccc2C)c1 ZINC000565777447 341537922 /nfs/dbraw/zinc/53/79/22/341537922.db2.gz FZLRAMXJKFILGV-UHFFFAOYSA-N 2 2 311.473 4.277 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268693820 341602863 /nfs/dbraw/zinc/60/28/63/341602863.db2.gz AIKKMIYCEHTZQS-HOTGVXAUSA-N 2 2 321.424 4.293 20 0 DIADLP Cc1cccn2c(C[NH2+]C3(c4cccc(Cl)c4)CC3)c[nH+]c12 ZINC000174424540 341826679 /nfs/dbraw/zinc/82/66/79/341826679.db2.gz DNNFLASEXKFPEE-UHFFFAOYSA-N 2 2 311.816 4.075 20 0 DIADLP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000161799498 522474393 /nfs/dbraw/zinc/47/43/93/522474393.db2.gz NTCHUXDGVCPLKM-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1ccc(CCC[NH2+]CC2(Cc3ccccc3)CCC2)c[nH+]1 ZINC000354464844 524319037 /nfs/dbraw/zinc/31/90/37/524319037.db2.gz PQNPHJKFXMAPHI-UHFFFAOYSA-N 2 2 308.469 4.325 20 0 DIADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000226331312 524844116 /nfs/dbraw/zinc/84/41/16/524844116.db2.gz AQFILDQCGIJPIR-GMXVVIOVSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000226331312 524844130 /nfs/dbraw/zinc/84/41/30/524844130.db2.gz AQFILDQCGIJPIR-GMXVVIOVSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191369 525643983 /nfs/dbraw/zinc/64/39/83/525643983.db2.gz KEFNHAKEMFWBBT-MRVWCRGKSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191369 525643995 /nfs/dbraw/zinc/64/39/95/525643995.db2.gz KEFNHAKEMFWBBT-MRVWCRGKSA-N 2 2 313.272 4.271 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)ccc1Cl)CCC2 ZINC000338212636 525935507 /nfs/dbraw/zinc/93/55/07/525935507.db2.gz JYEPXZOXZCFHRV-GFCCVEGCSA-N 2 2 324.255 4.166 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265452982 526046666 /nfs/dbraw/zinc/04/66/66/526046666.db2.gz CQPQQLQYNBTBMV-NSHDSACASA-N 2 2 307.800 4.143 20 0 DIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266944745 526183127 /nfs/dbraw/zinc/18/31/27/526183127.db2.gz SGBFDTLXLKSODM-GDBMZVCRSA-N 2 2 322.412 4.005 20 0 DIADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266944745 526183134 /nfs/dbraw/zinc/18/31/34/526183134.db2.gz SGBFDTLXLKSODM-GDBMZVCRSA-N 2 2 322.412 4.005 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+]C3(c4cccc(Cl)c4)CC3)n2c1 ZINC000157091670 526258711 /nfs/dbraw/zinc/25/87/11/526258711.db2.gz FDYSBEPCYGUAAX-UHFFFAOYSA-N 2 2 311.816 4.075 20 0 DIADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000337986823 526285061 /nfs/dbraw/zinc/28/50/61/526285061.db2.gz JDOHTJOANBDMLU-NVXWUHKLSA-N 2 2 319.399 4.019 20 0 DIADLP c1ccc(NCCCC[NH2+][C@H]2CCSc3ccccc32)[nH+]c1 ZINC000162851319 526481671 /nfs/dbraw/zinc/48/16/71/526481671.db2.gz ORLSFZKQIWNSET-INIZCTEOSA-N 2 2 313.470 4.100 20 0 DIADLP c1[nH+]c2n(c1C[NH2+]C1c3ccccc3-c3ccccc31)CCCC2 ZINC000367439631 526610838 /nfs/dbraw/zinc/61/08/38/526610838.db2.gz VYZIJGVVKSSJHP-UHFFFAOYSA-N 2 2 315.420 4.079 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2F)cc1 ZINC000338008273 527381857 /nfs/dbraw/zinc/38/18/57/527381857.db2.gz PMZSYUVAACDXAL-KBPBESRZSA-N 2 2 324.403 4.127 20 0 DIADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000129456642 527678972 /nfs/dbraw/zinc/67/89/72/527678972.db2.gz QQMKCAHHZCHINB-GJZGRUSLSA-N 2 2 323.362 4.083 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000037292712 1035996639 /nfs/dbraw/zinc/99/66/39/1035996639.db2.gz XOVWICDKICKNRW-OWCLPIDISA-N 2 2 322.905 4.093 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000037292712 1035996649 /nfs/dbraw/zinc/99/66/49/1035996649.db2.gz XOVWICDKICKNRW-OWCLPIDISA-N 2 2 322.905 4.093 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155110307 1036128003 /nfs/dbraw/zinc/12/80/03/1036128003.db2.gz IEGGCIOOBBDOIG-XOBRGWDASA-N 2 2 321.399 4.350 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(Cl)s1 ZINC001204441894 1036175345 /nfs/dbraw/zinc/17/53/45/1036175345.db2.gz GCQDZYRJUBAPJL-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(Cl)s1 ZINC001204441894 1036175354 /nfs/dbraw/zinc/17/53/54/1036175354.db2.gz GCQDZYRJUBAPJL-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC001204441894 1036175396 /nfs/dbraw/zinc/17/53/96/1036175396.db2.gz GCQDZYRJUBAPJL-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC001204441894 1036175404 /nfs/dbraw/zinc/17/54/04/1036175404.db2.gz GCQDZYRJUBAPJL-UONOGXRCSA-N 2 2 312.910 4.240 20 0 DIADLP c1cn(CCCC[NH2+]C2CCC(C3CCCCC3)CC2)c[nH+]1 ZINC000683471151 1036423001 /nfs/dbraw/zinc/42/30/01/1036423001.db2.gz AVDCURYEPKWURM-UHFFFAOYSA-N 2 2 303.494 4.392 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027399788 1036643521 /nfs/dbraw/zinc/64/35/21/1036643521.db2.gz XSYVJSOQVMCNFU-ZRGWGRIASA-N 2 2 321.424 4.440 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000683690034 1036705703 /nfs/dbraw/zinc/70/57/03/1036705703.db2.gz CSPGGCKMOSMSBL-BEFAXECRSA-N 2 2 323.440 4.265 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000683690035 1036706413 /nfs/dbraw/zinc/70/64/13/1036706413.db2.gz CSPGGCKMOSMSBL-DNVCBOLYSA-N 2 2 323.440 4.265 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683690742 1036712189 /nfs/dbraw/zinc/71/21/89/1036712189.db2.gz PPKCYGISVQTRHC-NXHRZFHOSA-N 2 2 311.473 4.118 20 0 DIADLP CCc1cccc(C)c1[N@@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001210875849 1037032274 /nfs/dbraw/zinc/03/22/74/1037032274.db2.gz ZXJAJNSZTLSZSB-UHFFFAOYSA-N 2 2 321.399 4.216 20 0 DIADLP CCc1cccc(C)c1[N@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001210875849 1037032287 /nfs/dbraw/zinc/03/22/87/1037032287.db2.gz ZXJAJNSZTLSZSB-UHFFFAOYSA-N 2 2 321.399 4.216 20 0 DIADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580921007 1037357521 /nfs/dbraw/zinc/35/75/21/1037357521.db2.gz AQHMOHXPDLDJCU-WOJBJXKFSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(C)c1F ZINC001143385234 1037364342 /nfs/dbraw/zinc/36/43/42/1037364342.db2.gz QAVXNFFKHXAZGC-UHFFFAOYSA-N 2 2 318.480 4.281 20 0 DIADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(C)c1F ZINC001143385234 1037364354 /nfs/dbraw/zinc/36/43/54/1037364354.db2.gz QAVXNFFKHXAZGC-UHFFFAOYSA-N 2 2 318.480 4.281 20 0 DIADLP Cc1c[nH+]c(CNc2ccc([N@H+]3CCCC[C@H]3C)cc2C)n1C ZINC000341266315 1037824345 /nfs/dbraw/zinc/82/43/45/1037824345.db2.gz WMBYFFWIPIQNAI-OAHLLOKOSA-N 2 2 312.461 4.028 20 0 DIADLP Cc1c[nH+]c(CNc2ccc([N@@H+]3CCCC[C@H]3C)cc2C)n1C ZINC000341266315 1037824366 /nfs/dbraw/zinc/82/43/66/1037824366.db2.gz WMBYFFWIPIQNAI-OAHLLOKOSA-N 2 2 312.461 4.028 20 0 DIADLP Clc1cscc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410387 1037955683 /nfs/dbraw/zinc/95/56/83/1037955683.db2.gz TUBVFIGNBJWCIM-OAHLLOKOSA-N 2 2 320.889 4.013 20 0 DIADLP Clc1cscc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000684410387 1037955696 /nfs/dbraw/zinc/95/56/96/1037955696.db2.gz TUBVFIGNBJWCIM-OAHLLOKOSA-N 2 2 320.889 4.013 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489820852 1038227876 /nfs/dbraw/zinc/22/78/76/1038227876.db2.gz WDLYQGGWBPZPPF-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489820852 1038227893 /nfs/dbraw/zinc/22/78/93/1038227893.db2.gz WDLYQGGWBPZPPF-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000489820852 1038227908 /nfs/dbraw/zinc/22/79/08/1038227908.db2.gz WDLYQGGWBPZPPF-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000489820852 1038227921 /nfs/dbraw/zinc/22/79/21/1038227921.db2.gz WDLYQGGWBPZPPF-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694819 1038273406 /nfs/dbraw/zinc/27/34/06/1038273406.db2.gz SUUHKUVKAZGMSM-XLIONFOSSA-N 2 2 321.468 4.086 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@H+]([C@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694819 1038273419 /nfs/dbraw/zinc/27/34/19/1038273419.db2.gz SUUHKUVKAZGMSM-XLIONFOSSA-N 2 2 321.468 4.086 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000535664184 1038278786 /nfs/dbraw/zinc/27/87/86/1038278786.db2.gz YKEZCNBOXRERGV-DUQGCJEPSA-N 2 2 309.457 4.150 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000535664184 1038278790 /nfs/dbraw/zinc/27/87/90/1038278790.db2.gz YKEZCNBOXRERGV-DUQGCJEPSA-N 2 2 309.457 4.150 20 0 DIADLP Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151310603 1038436103 /nfs/dbraw/zinc/43/61/03/1038436103.db2.gz FMAJDNGTWGEQPM-OAQYLSRUSA-N 2 2 317.436 4.017 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)c[nH+]1 ZINC000151344859 1038437903 /nfs/dbraw/zinc/43/79/03/1038437903.db2.gz KMTVUBKTZZTIJT-SFHVURJKSA-N 2 2 323.465 4.160 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC000152229385 1038595500 /nfs/dbraw/zinc/59/55/00/1038595500.db2.gz HUWONQICXSSOBB-INIZCTEOSA-N 2 2 317.436 4.212 20 0 DIADLP C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000606449231 1038603699 /nfs/dbraw/zinc/60/36/99/1038603699.db2.gz QTPNEGSZCVIRQQ-HNNXBMFYSA-N 2 2 321.399 4.131 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@H]1c1ccccc1 ZINC000582291544 1038627522 /nfs/dbraw/zinc/62/75/22/1038627522.db2.gz IAGKPUNVXDWPPJ-PMACEKPBSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@H]1c1ccccc1 ZINC000582291544 1038627524 /nfs/dbraw/zinc/62/75/24/1038627524.db2.gz IAGKPUNVXDWPPJ-PMACEKPBSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@@H]1c1ccccc1 ZINC000582291546 1038628669 /nfs/dbraw/zinc/62/86/69/1038628669.db2.gz IAGKPUNVXDWPPJ-VQTJNVASSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@@H]1c1ccccc1 ZINC000582291546 1038628671 /nfs/dbraw/zinc/62/86/71/1038628671.db2.gz IAGKPUNVXDWPPJ-VQTJNVASSA-N 2 2 324.443 4.240 20 0 DIADLP CCc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608073603 1038765726 /nfs/dbraw/zinc/76/57/26/1038765726.db2.gz PAPNPRNYBMAEQK-FQEVSTJZSA-N 2 2 319.452 4.056 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608565289 1038885714 /nfs/dbraw/zinc/88/57/14/1038885714.db2.gz MZPZQPNNGUZFMY-HOTGVXAUSA-N 2 2 306.881 4.209 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608565289 1038885737 /nfs/dbraw/zinc/88/57/37/1038885737.db2.gz MZPZQPNNGUZFMY-HOTGVXAUSA-N 2 2 306.881 4.209 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000153365766 1038938513 /nfs/dbraw/zinc/93/85/13/1038938513.db2.gz DEVHOUJNJYLRDN-STQMWFEESA-N 2 2 312.442 4.049 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626272 1038981855 /nfs/dbraw/zinc/98/18/55/1038981855.db2.gz CHJYCGDYSMDJGV-UHFFFAOYSA-N 2 2 317.521 4.326 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cscn2)cc1 ZINC000534328275 1039027277 /nfs/dbraw/zinc/02/72/77/1039027277.db2.gz TWLBHWCRNARXCH-STQMWFEESA-N 2 2 312.442 4.049 20 0 DIADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000181738913 1039222802 /nfs/dbraw/zinc/22/28/02/1039222802.db2.gz GNELAYMSNFSWET-OALUTQOASA-N 2 2 311.473 4.032 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1Cl ZINC000539414643 1039260528 /nfs/dbraw/zinc/26/05/28/1039260528.db2.gz FSYHVHYFJCPKFV-INIZCTEOSA-N 2 2 324.255 4.417 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1Cl ZINC000539414643 1039260536 /nfs/dbraw/zinc/26/05/36/1039260536.db2.gz FSYHVHYFJCPKFV-INIZCTEOSA-N 2 2 324.255 4.417 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838078 1039353942 /nfs/dbraw/zinc/35/39/42/1039353942.db2.gz GMYMHQBFQUYEAK-DOMZBBRYSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838078 1039353958 /nfs/dbraw/zinc/35/39/58/1039353958.db2.gz GMYMHQBFQUYEAK-DOMZBBRYSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838078 1039353975 /nfs/dbraw/zinc/35/39/75/1039353975.db2.gz GMYMHQBFQUYEAK-DOMZBBRYSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838078 1039353995 /nfs/dbraw/zinc/35/39/95/1039353995.db2.gz GMYMHQBFQUYEAK-DOMZBBRYSA-N 2 2 315.288 4.156 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900231 1039385754 /nfs/dbraw/zinc/38/57/54/1039385754.db2.gz OOTNQRYRKVKIQD-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900231 1039385764 /nfs/dbraw/zinc/38/57/64/1039385764.db2.gz OOTNQRYRKVKIQD-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000539900231 1039385768 /nfs/dbraw/zinc/38/57/68/1039385768.db2.gz OOTNQRYRKVKIQD-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000539900231 1039385777 /nfs/dbraw/zinc/38/57/77/1039385777.db2.gz OOTNQRYRKVKIQD-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)c2ccccc21 ZINC000650741790 1039427290 /nfs/dbraw/zinc/42/72/90/1039427290.db2.gz LOWBQPHHBRWCCP-ZWKOTPCHSA-N 2 2 312.844 4.454 20 0 DIADLP CC(C)CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151157000 1039469753 /nfs/dbraw/zinc/46/97/53/1039469753.db2.gz ZZLQDXFWEUKEJG-KRWDZBQOSA-N 2 2 315.461 4.049 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000151344067 1039543054 /nfs/dbraw/zinc/54/30/54/1039543054.db2.gz IIBGCDQYYRAZAX-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Clc1ccc(SCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961299 1039694014 /nfs/dbraw/zinc/69/40/14/1039694014.db2.gz LEGMPPHJXIMMCK-ZDUSSCGKSA-N 2 2 321.877 4.035 20 0 DIADLP Clc1ccc(SCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961299 1039694019 /nfs/dbraw/zinc/69/40/19/1039694019.db2.gz LEGMPPHJXIMMCK-ZDUSSCGKSA-N 2 2 321.877 4.035 20 0 DIADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000089697271 1039779787 /nfs/dbraw/zinc/77/97/87/1039779787.db2.gz ODASMTZJBQLJFX-MRXNPFEDSA-N 2 2 324.255 4.247 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(C)noc1C ZINC000090887166 1039803945 /nfs/dbraw/zinc/80/39/45/1039803945.db2.gz JODZHOSBRKUPJG-GOSISDBHSA-N 2 2 319.493 4.129 20 0 DIADLP C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151662460 1039850154 /nfs/dbraw/zinc/85/01/54/1039850154.db2.gz RHXXJGGAYAENDR-HUUCEWRRSA-N 2 2 311.454 4.216 20 0 DIADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151662306 1039851977 /nfs/dbraw/zinc/85/19/77/1039851977.db2.gz RHXXJGGAYAENDR-CABCVRRESA-N 2 2 311.454 4.216 20 0 DIADLP Cc1cc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc2cc1C ZINC000092072996 1039868137 /nfs/dbraw/zinc/86/81/37/1039868137.db2.gz OWJRVCFUIHQBNX-OAHLLOKOSA-N 2 2 309.413 4.152 20 0 DIADLP Cc1cc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc2cc1C ZINC000092072996 1039868159 /nfs/dbraw/zinc/86/81/59/1039868159.db2.gz OWJRVCFUIHQBNX-OAHLLOKOSA-N 2 2 309.413 4.152 20 0 DIADLP Cc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000685459599 1040067518 /nfs/dbraw/zinc/06/75/18/1040067518.db2.gz OHZCRHPBSCRARS-UHFFFAOYSA-N 2 2 311.473 4.192 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3ccccc3C3CC3)CC2)c[nH+]1 ZINC000685459548 1040068379 /nfs/dbraw/zinc/06/83/79/1040068379.db2.gz DTSCBYZACYAFCR-UHFFFAOYSA-N 2 2 323.484 4.453 20 0 DIADLP Cc1cccc(C([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(C)c2)c1 ZINC000493230757 1040141923 /nfs/dbraw/zinc/14/19/23/1040141923.db2.gz PQHJCNFKCHRJPH-NQIIRXRSSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1cccc(C([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(C)c2)c1 ZINC000493230757 1040141933 /nfs/dbraw/zinc/14/19/33/1040141933.db2.gz PQHJCNFKCHRJPH-NQIIRXRSSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000685662164 1040203197 /nfs/dbraw/zinc/20/31/97/1040203197.db2.gz QZZBQQDDMXKTHY-XLIONFOSSA-N 2 2 309.457 4.097 20 0 DIADLP CCCCCC[C@H](CC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001170578794 1041158476 /nfs/dbraw/zinc/15/84/76/1041158476.db2.gz KKNZGQRCRRFGSX-FQEVSTJZSA-N 2 2 302.506 4.457 20 0 DIADLP C[C@@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301900374 1041255348 /nfs/dbraw/zinc/25/53/48/1041255348.db2.gz YZTWYLBVJXQJNG-WBVHZDCISA-N 2 2 320.440 4.028 20 0 DIADLP C[C@@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301900374 1041255361 /nfs/dbraw/zinc/25/53/61/1041255361.db2.gz YZTWYLBVJXQJNG-WBVHZDCISA-N 2 2 320.440 4.028 20 0 DIADLP CCCCCC[C@@H](CC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001170604889 1041382987 /nfs/dbraw/zinc/38/29/87/1041382987.db2.gz XLUAZZUUAKZAQT-QGZVFWFLSA-N 2 2 303.494 4.389 20 0 DIADLP FCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783030658 1041437622 /nfs/dbraw/zinc/43/76/22/1041437622.db2.gz MSOJUQGLKCIGPK-UHFFFAOYSA-N 2 2 315.436 4.045 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000180265415 1041527202 /nfs/dbraw/zinc/52/72/02/1041527202.db2.gz ZFHNORLWYCPNGJ-LJQANCHMSA-N 2 2 309.388 4.252 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651670605 1041874077 /nfs/dbraw/zinc/87/40/77/1041874077.db2.gz OOGANUVDHZKEGC-INIZCTEOSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cn1 ZINC000651685416 1041880649 /nfs/dbraw/zinc/88/06/49/1041880649.db2.gz SKCZTAAEDYILNY-KRWDZBQOSA-N 2 2 320.440 4.076 20 0 DIADLP CCc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000651724473 1041896359 /nfs/dbraw/zinc/89/63/59/1041896359.db2.gz WEPNXIMAZGNCFT-HXUWFJFHSA-N 2 2 319.452 4.056 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651741556 1041901110 /nfs/dbraw/zinc/90/11/10/1041901110.db2.gz NUWGFUCXXIIOBK-HLIPFELVSA-N 2 2 315.505 4.165 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000815564199 1041963572 /nfs/dbraw/zinc/96/35/72/1041963572.db2.gz BCBLRGHQMWZXCP-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000815567335 1041963742 /nfs/dbraw/zinc/96/37/42/1041963742.db2.gz UTSMFPMMQSCVER-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP Nc1cc[nH+]c(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000925768087 1042137518 /nfs/dbraw/zinc/13/75/18/1042137518.db2.gz SGBOMUPJZUEFIJ-SFHVURJKSA-N 2 2 315.848 4.338 20 0 DIADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170943025 1042204845 /nfs/dbraw/zinc/20/48/45/1042204845.db2.gz JBXWPVMERBZTQT-KRWDZBQOSA-N 2 2 320.908 4.002 20 0 DIADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170943025 1042204846 /nfs/dbraw/zinc/20/48/46/1042204846.db2.gz JBXWPVMERBZTQT-KRWDZBQOSA-N 2 2 320.908 4.002 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000317239145 1042216904 /nfs/dbraw/zinc/21/69/04/1042216904.db2.gz MCPAVUMYWYJVHU-IRXDYDNUSA-N 2 2 317.864 4.228 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)sc1Cl ZINC000643547100 1042229360 /nfs/dbraw/zinc/22/93/60/1042229360.db2.gz ZTTCNCYNXUPVHX-NXEZZACHSA-N 2 2 319.301 4.380 20 0 DIADLP C[C@H](CC[N@@H+](C)Cc1cccs1)[NH+](C)Cc1cccs1 ZINC000431606433 1042230698 /nfs/dbraw/zinc/23/06/98/1042230698.db2.gz UODLMKWSPASQKW-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H](CC[N@H+](C)Cc1cccs1)[NH+](C)Cc1cccs1 ZINC000431606433 1042230690 /nfs/dbraw/zinc/23/06/90/1042230690.db2.gz UODLMKWSPASQKW-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H](CC[NH+](C)Cc1cccs1)[N@H+](C)Cc1cccs1 ZINC000431606433 1042230705 /nfs/dbraw/zinc/23/07/05/1042230705.db2.gz UODLMKWSPASQKW-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H](CC[NH+](C)Cc1cccs1)[N@@H+](C)Cc1cccs1 ZINC000431606433 1042230709 /nfs/dbraw/zinc/23/07/09/1042230709.db2.gz UODLMKWSPASQKW-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877272 1042236055 /nfs/dbraw/zinc/23/60/55/1042236055.db2.gz RXCCEYTUAUWVAP-QFBILLFUSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877272 1042236060 /nfs/dbraw/zinc/23/60/60/1042236060.db2.gz RXCCEYTUAUWVAP-QFBILLFUSA-N 2 2 312.457 4.231 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000162866511 1042299535 /nfs/dbraw/zinc/29/95/35/1042299535.db2.gz HSDQXZOBTZFCDI-GOSISDBHSA-N 2 2 313.445 4.023 20 0 DIADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000124348787 1042353627 /nfs/dbraw/zinc/35/36/27/1042353627.db2.gz JKHURQNTVKUWIK-FQEVSTJZSA-N 2 2 309.457 4.037 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000124348993 1042353851 /nfs/dbraw/zinc/35/38/51/1042353851.db2.gz JKHURQNTVKUWIK-HXUWFJFHSA-N 2 2 309.457 4.037 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000236703815 1042370776 /nfs/dbraw/zinc/37/07/76/1042370776.db2.gz ZYNNTJCOCRBHCA-LGMDPLHJSA-N 2 2 303.409 4.065 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152090372 1042411524 /nfs/dbraw/zinc/41/15/24/1042411524.db2.gz RACQIHAENRGSAX-CMKODMSKSA-N 2 2 317.521 4.098 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152090372 1042411526 /nfs/dbraw/zinc/41/15/26/1042411526.db2.gz RACQIHAENRGSAX-CMKODMSKSA-N 2 2 317.521 4.098 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000152252137 1042438288 /nfs/dbraw/zinc/43/82/88/1042438288.db2.gz IUPDNHQPSPSESP-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC001204932164 1042494955 /nfs/dbraw/zinc/49/49/55/1042494955.db2.gz HNJKDOXCLGKCQA-FQEVSTJZSA-N 2 2 308.469 4.284 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC001204932164 1042494957 /nfs/dbraw/zinc/49/49/57/1042494957.db2.gz HNJKDOXCLGKCQA-FQEVSTJZSA-N 2 2 308.469 4.284 20 0 DIADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000513481689 1042546690 /nfs/dbraw/zinc/54/66/90/1042546690.db2.gz CCDAGWRTANGPJW-UHFFFAOYSA-N 2 2 320.443 4.209 20 0 DIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000421819172 1042656316 /nfs/dbraw/zinc/65/63/16/1042656316.db2.gz FOTKNXYYIFZYOA-CQSZACIVSA-N 2 2 324.896 4.120 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422785018 1042690197 /nfs/dbraw/zinc/69/01/97/1042690197.db2.gz QMQLOFAFUAXWTB-FTRWYGJKSA-N 2 2 324.468 4.153 20 0 DIADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875847 1042691573 /nfs/dbraw/zinc/69/15/73/1042691573.db2.gz PONAPKSNHUROBT-CWFSZBLJSA-N 2 2 324.468 4.407 20 0 DIADLP CCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422876544 1042691717 /nfs/dbraw/zinc/69/17/17/1042691717.db2.gz QIIAOCCVRHUJHZ-RTBURBONSA-N 2 2 310.441 4.018 20 0 DIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422908055 1042692308 /nfs/dbraw/zinc/69/23/08/1042692308.db2.gz XVQCZNKSMGMKML-DLBZAZTESA-N 2 2 310.372 4.115 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OC(C)C)c1 ZINC000422870158 1042692581 /nfs/dbraw/zinc/69/25/81/1042692581.db2.gz BFCUBTDHGPCMCM-OALUTQOASA-N 2 2 310.441 4.017 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cc2cccc(F)c2o1 ZINC000423070411 1042696090 /nfs/dbraw/zinc/69/60/90/1042696090.db2.gz NGJXMUIYHZCOTH-YMRXKLBXSA-N 2 2 310.372 4.367 20 0 DIADLP CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1cccnc1 ZINC000423241275 1042702069 /nfs/dbraw/zinc/70/20/69/1042702069.db2.gz LFUTWICKEDUHOW-UXHICEINSA-N 2 2 311.473 4.336 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423248716 1042703440 /nfs/dbraw/zinc/70/34/40/1042703440.db2.gz SCLFAMLPIPEBEM-VFNWGFHPSA-N 2 2 324.468 4.191 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423248715 1042703619 /nfs/dbraw/zinc/70/36/19/1042703619.db2.gz SCLFAMLPIPEBEM-QVKFZJNVSA-N 2 2 324.468 4.191 20 0 DIADLP [NH3+][C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC000423254285 1042703712 /nfs/dbraw/zinc/70/37/12/1042703712.db2.gz ZTOGPBSDGMLHKT-ROUUACIJSA-N 2 2 300.833 4.081 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000514077281 1042769750 /nfs/dbraw/zinc/76/97/50/1042769750.db2.gz OJYLCTFSFKCXMJ-IBGZPJMESA-N 2 2 317.436 4.379 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000514077281 1042769756 /nfs/dbraw/zinc/76/97/56/1042769756.db2.gz OJYLCTFSFKCXMJ-IBGZPJMESA-N 2 2 317.436 4.379 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000514230473 1042775915 /nfs/dbraw/zinc/77/59/15/1042775915.db2.gz YQNHWTMWUWTUFI-HUUCEWRRSA-N 2 2 319.399 4.348 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1F ZINC000519038188 1042930847 /nfs/dbraw/zinc/93/08/47/1042930847.db2.gz ZAQWWZRPIZMVFR-PXAZEXFGSA-N 2 2 321.827 4.046 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000187940461 1042984875 /nfs/dbraw/zinc/98/48/75/1042984875.db2.gz ZNMMKVBDXCAFKV-QGZVFWFLSA-N 2 2 301.409 4.154 20 0 DIADLP c1ccc(NCCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)[nH+]c1 ZINC000519671510 1042998797 /nfs/dbraw/zinc/99/87/97/1042998797.db2.gz VMCKDKJMGQMPJT-GOSISDBHSA-N 2 2 320.440 4.032 20 0 DIADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)o1 ZINC000120708965 1043125999 /nfs/dbraw/zinc/12/59/99/1043125999.db2.gz VKKQQDVBXUJXDN-MRXNPFEDSA-N 2 2 312.457 4.212 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000427600163 1043230589 /nfs/dbraw/zinc/23/05/89/1043230589.db2.gz RWLZIDNBZPJBBD-SQNIBIBYSA-N 2 2 316.514 4.057 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000427600163 1043230597 /nfs/dbraw/zinc/23/05/97/1043230597.db2.gz RWLZIDNBZPJBBD-SQNIBIBYSA-N 2 2 316.514 4.057 20 0 DIADLP Cc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC001168004829 1043238212 /nfs/dbraw/zinc/23/82/12/1043238212.db2.gz AETBFZMEVJNNTC-HZPDHXFCSA-N 2 2 312.457 4.119 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000665228789 1043289745 /nfs/dbraw/zinc/28/97/45/1043289745.db2.gz HIWKYHNFJUHZLG-CVEARBPZSA-N 2 2 307.224 4.228 20 0 DIADLP Cc1cncc([C@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000427840888 1043308149 /nfs/dbraw/zinc/30/81/49/1043308149.db2.gz HMMOZVQFASSGMV-RXVVDRJESA-N 2 2 323.484 4.095 20 0 DIADLP Cc1cncc([C@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000427840888 1043308157 /nfs/dbraw/zinc/30/81/57/1043308157.db2.gz HMMOZVQFASSGMV-RXVVDRJESA-N 2 2 323.484 4.095 20 0 DIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)CC2 ZINC000427875134 1043309310 /nfs/dbraw/zinc/30/93/10/1043309310.db2.gz JGTJJTQXGHVPPB-QUCCMNQESA-N 2 2 309.457 4.109 20 0 DIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)cc1 ZINC000427872219 1043311410 /nfs/dbraw/zinc/31/14/10/1043311410.db2.gz JIICLSFQPVGLBI-JXFKEZNVSA-N 2 2 317.436 4.216 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)s1 ZINC000427863784 1043311816 /nfs/dbraw/zinc/31/18/16/1043311816.db2.gz JLRICEBWNTZWHS-GOEBONIOSA-N 2 2 323.465 4.277 20 0 DIADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427859848 1043312062 /nfs/dbraw/zinc/31/20/62/1043312062.db2.gz PDZCKULDZBRABJ-IUODEOHRSA-N 2 2 324.255 4.246 20 0 DIADLP CC(C)(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427890946 1043313911 /nfs/dbraw/zinc/31/39/11/1043313911.db2.gz KJIPXDYPSHOZME-KXBFYZLASA-N 2 2 323.440 4.321 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000268768072 1043330000 /nfs/dbraw/zinc/33/00/00/1043330000.db2.gz OQIFISLRAJLJTC-OAQYLSRUSA-N 2 2 317.436 4.017 20 0 DIADLP Cc1ccc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000268986664 1043349095 /nfs/dbraw/zinc/34/90/95/1043349095.db2.gz FVUFIICFPZWGDC-UHFFFAOYSA-N 2 2 305.425 4.182 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1Cl ZINC000269051903 1043354147 /nfs/dbraw/zinc/35/41/47/1043354147.db2.gz WAPWHTSIBYMLKZ-GFCCVEGCSA-N 2 2 310.844 4.147 20 0 DIADLP CC[C@H](CCC(F)(F)F)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000872023735 1043423275 /nfs/dbraw/zinc/42/32/75/1043423275.db2.gz JYWYCWRCFNDGEA-OLZOCXBDSA-N 2 2 305.388 4.009 20 0 DIADLP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000872026345 1043423330 /nfs/dbraw/zinc/42/33/30/1043423330.db2.gz DDTYSUYOKODXOF-AWEZNQCLSA-N 2 2 311.351 4.083 20 0 DIADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000558086348 1043434880 /nfs/dbraw/zinc/43/48/80/1043434880.db2.gz QIOSTODFTISXRY-UHFFFAOYSA-N 2 2 316.464 4.202 20 0 DIADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(F)ccc1OC ZINC000925828582 1043477921 /nfs/dbraw/zinc/47/79/21/1043477921.db2.gz XYOQEMPYQHYLNR-FGTMMUONSA-N 2 2 314.404 4.020 20 0 DIADLP Cc1ccc(F)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349366625 1043505862 /nfs/dbraw/zinc/50/58/62/1043505862.db2.gz JYVRNLWXFBLZTG-UHFFFAOYSA-N 2 2 315.436 4.023 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3coc4ccccc34)CC2)c[nH+]1 ZINC000349422879 1043508705 /nfs/dbraw/zinc/50/87/05/1043508705.db2.gz WBWREFMBMSYQPR-UHFFFAOYSA-N 2 2 323.440 4.322 20 0 DIADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000717977017 1043533458 /nfs/dbraw/zinc/53/34/58/1043533458.db2.gz MJNPSMUXHGJHMA-LSTHTHJFSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000717977017 1043533468 /nfs/dbraw/zinc/53/34/68/1043533468.db2.gz MJNPSMUXHGJHMA-LSTHTHJFSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000717977027 1043535452 /nfs/dbraw/zinc/53/54/52/1043535452.db2.gz MJNPSMUXHGJHMA-UXPWSPDFSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000717977027 1043535461 /nfs/dbraw/zinc/53/54/61/1043535461.db2.gz MJNPSMUXHGJHMA-UXPWSPDFSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000717988896 1043538896 /nfs/dbraw/zinc/53/88/96/1043538896.db2.gz RXZXYYFAGPCCGJ-UXPWSPDFSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000717988896 1043538905 /nfs/dbraw/zinc/53/89/05/1043538905.db2.gz RXZXYYFAGPCCGJ-UXPWSPDFSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000718014589 1043547065 /nfs/dbraw/zinc/54/70/65/1043547065.db2.gz CKSDKXBEZURTEM-JYWFKMLOSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000718014589 1043547073 /nfs/dbraw/zinc/54/70/73/1043547073.db2.gz CKSDKXBEZURTEM-JYWFKMLOSA-N 2 2 314.517 4.311 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000353536431 1043616749 /nfs/dbraw/zinc/61/67/49/1043616749.db2.gz XLXZMZMXVMNECB-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000353536431 1043616754 /nfs/dbraw/zinc/61/67/54/1043616754.db2.gz XLXZMZMXVMNECB-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000353536431 1043616761 /nfs/dbraw/zinc/61/67/61/1043616761.db2.gz XLXZMZMXVMNECB-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000353536431 1043616771 /nfs/dbraw/zinc/61/67/71/1043616771.db2.gz XLXZMZMXVMNECB-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573323 1043618963 /nfs/dbraw/zinc/61/89/63/1043618963.db2.gz LAANULRKHVORKO-QFBILLFUSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573323 1043618974 /nfs/dbraw/zinc/61/89/74/1043618974.db2.gz LAANULRKHVORKO-QFBILLFUSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573323 1043618981 /nfs/dbraw/zinc/61/89/81/1043618981.db2.gz LAANULRKHVORKO-QFBILLFUSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573323 1043618990 /nfs/dbraw/zinc/61/89/90/1043618990.db2.gz LAANULRKHVORKO-QFBILLFUSA-N 2 2 312.457 4.073 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747998 1043639566 /nfs/dbraw/zinc/63/95/66/1043639566.db2.gz BZSGADMNRAVMHG-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747998 1043639572 /nfs/dbraw/zinc/63/95/72/1043639572.db2.gz BZSGADMNRAVMHG-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747998 1043639579 /nfs/dbraw/zinc/63/95/79/1043639579.db2.gz BZSGADMNRAVMHG-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747998 1043639587 /nfs/dbraw/zinc/63/95/87/1043639587.db2.gz BZSGADMNRAVMHG-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000558942860 1043644342 /nfs/dbraw/zinc/64/43/42/1043644342.db2.gz VVEMQJLJBOHGJB-QGOAFFKASA-N 2 2 317.436 4.125 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000558969757 1043653651 /nfs/dbraw/zinc/65/36/51/1043653651.db2.gz JSPIVSTZFGSSBZ-NDXORKPFSA-N 2 2 317.436 4.154 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000354025230 1043674310 /nfs/dbraw/zinc/67/43/10/1043674310.db2.gz AJNFERFMVSDTQR-OXJNMPFZSA-N 2 2 303.409 4.065 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000354025230 1043674314 /nfs/dbraw/zinc/67/43/14/1043674314.db2.gz AJNFERFMVSDTQR-OXJNMPFZSA-N 2 2 303.409 4.065 20 0 DIADLP CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354989456 1043733364 /nfs/dbraw/zinc/73/33/64/1043733364.db2.gz ZJOKMQQMNBYPHU-JSGCOSHPSA-N 2 2 311.351 4.254 20 0 DIADLP CC[C@@H](C)[C@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692464 1043755634 /nfs/dbraw/zinc/75/56/34/1043755634.db2.gz BZOTWRHXBACIJD-SJORKVTESA-N 2 2 317.521 4.311 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)[nH]1 ZINC000356967272 1043900758 /nfs/dbraw/zinc/90/07/58/1043900758.db2.gz OKQHRXFFUNNTRV-HNNXBMFYSA-N 2 2 323.396 4.175 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)[nH]1 ZINC000356967272 1043900773 /nfs/dbraw/zinc/90/07/73/1043900773.db2.gz OKQHRXFFUNNTRV-HNNXBMFYSA-N 2 2 323.396 4.175 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CCC2 ZINC000359512479 1044172529 /nfs/dbraw/zinc/17/25/29/1044172529.db2.gz CXQAXTULVITFJY-ZFWWWQNUSA-N 2 2 303.837 4.073 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3cccnc32)C2CCCC2)CC1 ZINC001137178997 1044176488 /nfs/dbraw/zinc/17/64/88/1044176488.db2.gz DYLZUHTZUSVBFK-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3cccnc32)C2CCCC2)CC1 ZINC001137178997 1044176495 /nfs/dbraw/zinc/17/64/95/1044176495.db2.gz DYLZUHTZUSVBFK-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1OC ZINC000359946255 1044218658 /nfs/dbraw/zinc/21/86/58/1044218658.db2.gz YZGSMQMOHIBFHD-YESZJQIVSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)ccc1OC ZINC000359946255 1044218663 /nfs/dbraw/zinc/21/86/63/1044218663.db2.gz YZGSMQMOHIBFHD-YESZJQIVSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccs1 ZINC000883386996 1044298614 /nfs/dbraw/zinc/29/86/14/1044298614.db2.gz PXLKKEYARIVVAN-IRXDYDNUSA-N 2 2 311.454 4.427 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386384 1044299021 /nfs/dbraw/zinc/29/90/21/1044299021.db2.gz FFBVOVLHDIFQET-RDJZCZTQSA-N 2 2 311.454 4.345 20 0 DIADLP Fc1cccc2c1CC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387297 1044299750 /nfs/dbraw/zinc/29/97/50/1044299750.db2.gz VFXKRETWJXNGMN-WOJBJXKFSA-N 2 2 321.399 4.041 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000883386161 1044300468 /nfs/dbraw/zinc/30/04/68/1044300468.db2.gz ASIKYTDOEXNHQN-UXHICEINSA-N 2 2 305.425 4.365 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387267 1044300954 /nfs/dbraw/zinc/30/09/54/1044300954.db2.gz UWCYSGQLKZXPSQ-FXAWDEMLSA-N 2 2 305.425 4.284 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387574 1044301219 /nfs/dbraw/zinc/30/12/19/1044301219.db2.gz ZUXIPIMOHFAEHV-RTWAWAEBSA-N 2 2 317.436 4.210 20 0 DIADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000237446911 1044329302 /nfs/dbraw/zinc/32/93/02/1044329302.db2.gz HAKFFTXOQJXULD-CYBMUJFWSA-N 2 2 306.837 4.030 20 0 DIADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000564148387 1044349476 /nfs/dbraw/zinc/34/94/76/1044349476.db2.gz PASFJXRIBPINLR-DLBZAZTESA-N 2 2 303.494 4.173 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000361038709 1044350957 /nfs/dbraw/zinc/35/09/57/1044350957.db2.gz PUBZGYBEGITRHM-KRWDZBQOSA-N 2 2 319.399 4.293 20 0 DIADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361481535 1044407771 /nfs/dbraw/zinc/40/77/71/1044407771.db2.gz OCIFCYZGDSONHJ-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP CCC1(Cc2ccccc2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000361482991 1044407823 /nfs/dbraw/zinc/40/78/23/1044407823.db2.gz ZQLCIRRUBXKKPO-UHFFFAOYSA-N 2 2 311.473 4.008 20 0 DIADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000564893834 1044407998 /nfs/dbraw/zinc/40/79/98/1044407998.db2.gz WJIWMQCGEWPZBW-MRXNPFEDSA-N 2 2 320.440 4.144 20 0 DIADLP CC(C)C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000361483118 1044408140 /nfs/dbraw/zinc/40/81/40/1044408140.db2.gz CKNNRLSDTLPMCZ-HXUWFJFHSA-N 2 2 320.440 4.144 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000361701050 1044432366 /nfs/dbraw/zinc/43/23/66/1044432366.db2.gz FYOHKSMLZOZFIZ-UHFFFAOYSA-N 2 2 323.465 4.407 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000361701050 1044432373 /nfs/dbraw/zinc/43/23/73/1044432373.db2.gz FYOHKSMLZOZFIZ-UHFFFAOYSA-N 2 2 323.465 4.407 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccco1)C(C)C ZINC000361712640 1044435218 /nfs/dbraw/zinc/43/52/18/1044435218.db2.gz BGCANPZWOKIUHF-UHFFFAOYSA-N 2 2 309.413 4.184 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccco1)C(C)C ZINC000361712640 1044435226 /nfs/dbraw/zinc/43/52/26/1044435226.db2.gz BGCANPZWOKIUHF-UHFFFAOYSA-N 2 2 309.413 4.184 20 0 DIADLP CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000567100088 1044541867 /nfs/dbraw/zinc/54/18/67/1044541867.db2.gz PTIPBVMDSZLQBU-FXAWDEMLSA-N 2 2 311.473 4.380 20 0 DIADLP Cc1sccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000353520441 1044577996 /nfs/dbraw/zinc/57/79/96/1044577996.db2.gz OVIQVUKJJMKXAS-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1sccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000353520441 1044578010 /nfs/dbraw/zinc/57/80/10/1044578010.db2.gz OVIQVUKJJMKXAS-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000567654142 1044579277 /nfs/dbraw/zinc/57/92/77/1044579277.db2.gz WCURRIGERVXZGN-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cs1 ZINC000296077966 1044589717 /nfs/dbraw/zinc/58/97/17/1044589717.db2.gz SKAVHUXEKGAADI-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000569013756 1044666334 /nfs/dbraw/zinc/66/63/34/1044666334.db2.gz NHPJRUREBHJMNG-YLJYHZDGSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000569013756 1044666344 /nfs/dbraw/zinc/66/63/44/1044666344.db2.gz NHPJRUREBHJMNG-YLJYHZDGSA-N 2 2 324.443 4.240 20 0 DIADLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3c(F)cccc3F)CC2)[nH+]c1C ZINC000886668136 1044676543 /nfs/dbraw/zinc/67/65/43/1044676543.db2.gz NZKGGJAACIGYEL-CYBMUJFWSA-N 2 2 319.399 4.245 20 0 DIADLP Fc1cc(C[NH2+]Cc2ccc3occc3c2)ccc1-n1cc[nH+]c1 ZINC000367219377 1044733588 /nfs/dbraw/zinc/73/35/88/1044733588.db2.gz WFYMGINCEYYCJC-UHFFFAOYSA-N 2 2 321.355 4.047 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368100562 1044765557 /nfs/dbraw/zinc/76/55/57/1044765557.db2.gz HXMDTERSMPIQLF-ZFWWWQNUSA-N 2 2 315.486 4.118 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)cc1 ZINC000572686564 1044870450 /nfs/dbraw/zinc/87/04/50/1044870450.db2.gz RDFRGHDEZSBAAH-KXBFYZLASA-N 2 2 317.436 4.285 20 0 DIADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000524591910 1044883017 /nfs/dbraw/zinc/88/30/17/1044883017.db2.gz WVODRNHKKGXUNA-IBGZPJMESA-N 2 2 304.453 4.227 20 0 DIADLP C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337626398 1044928991 /nfs/dbraw/zinc/92/89/91/1044928991.db2.gz KSTPQYPEOHVJOG-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337626398 1044929006 /nfs/dbraw/zinc/92/90/06/1044929006.db2.gz KSTPQYPEOHVJOG-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC000193160355 1044929077 /nfs/dbraw/zinc/92/90/77/1044929077.db2.gz DBKGGTJBUNKWMD-OAQYLSRUSA-N 2 2 308.469 4.077 20 0 DIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202029 1045035563 /nfs/dbraw/zinc/03/55/63/1045035563.db2.gz YPFLFLOUNKWGDB-CQSZACIVSA-N 2 2 322.412 4.005 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCCC2)cc1 ZINC000576793303 1045081055 /nfs/dbraw/zinc/08/10/55/1045081055.db2.gz PFWYGPCZIFELNG-RXVVDRJESA-N 2 2 323.484 4.487 20 0 DIADLP Clc1cccc(Cl)c1C1([NH2+]CCCn2cc[nH+]c2)CCC1 ZINC000447388505 1045127830 /nfs/dbraw/zinc/12/78/30/1045127830.db2.gz WVYPZCHDEXHEJX-UHFFFAOYSA-N 2 2 324.255 4.249 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)CCC2 ZINC000361486968 1045131780 /nfs/dbraw/zinc/13/17/80/1045131780.db2.gz SVCPEGQDSUFYET-MRXNPFEDSA-N 2 2 317.436 4.212 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(F)c1Cl ZINC000577619821 1045142372 /nfs/dbraw/zinc/14/23/72/1045142372.db2.gz FSGCKSIWGIOOTC-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(F)c1Cl ZINC000577619821 1045142381 /nfs/dbraw/zinc/14/23/81/1045142381.db2.gz FSGCKSIWGIOOTC-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000447560357 1045149723 /nfs/dbraw/zinc/14/97/23/1045149723.db2.gz VQPZZNMRXNXQAO-YCPHGPKFSA-N 2 2 314.395 4.061 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000447560357 1045149727 /nfs/dbraw/zinc/14/97/27/1045149727.db2.gz VQPZZNMRXNXQAO-YCPHGPKFSA-N 2 2 314.395 4.061 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000447728854 1045168326 /nfs/dbraw/zinc/16/83/26/1045168326.db2.gz NFUHRXQAGUPZEL-QGZVFWFLSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000447728854 1045168332 /nfs/dbraw/zinc/16/83/32/1045168332.db2.gz NFUHRXQAGUPZEL-QGZVFWFLSA-N 2 2 306.881 4.099 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000447727566 1045168894 /nfs/dbraw/zinc/16/88/94/1045168894.db2.gz BTUZOWZKHLXJRS-UHFFFAOYSA-N 2 2 321.827 4.014 20 0 DIADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924646992 1045186946 /nfs/dbraw/zinc/18/69/46/1045186946.db2.gz XOXDEBCWYNYFFH-AWEZNQCLSA-N 2 2 323.440 4.167 20 0 DIADLP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924646994 1045187892 /nfs/dbraw/zinc/18/78/92/1045187892.db2.gz XOXDEBCWYNYFFH-CQSZACIVSA-N 2 2 323.440 4.167 20 0 DIADLP FC(F)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000527223172 1045204091 /nfs/dbraw/zinc/20/40/91/1045204091.db2.gz ZHORNSALIARYNH-UHFFFAOYSA-N 2 2 313.351 4.100 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC2(C1)CCCC2)c1ccccc1 ZINC000925178920 1045232609 /nfs/dbraw/zinc/23/26/09/1045232609.db2.gz NDWIWXVYFWWQMP-GOSISDBHSA-N 2 2 309.457 4.016 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000557827193 1045237728 /nfs/dbraw/zinc/23/77/28/1045237728.db2.gz KMSFTWUKCSCXIR-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000449200219 1045361860 /nfs/dbraw/zinc/36/18/60/1045361860.db2.gz BKEYYXCRSSCFBS-JXFKEZNVSA-N 2 2 315.505 4.165 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000449200222 1045362572 /nfs/dbraw/zinc/36/25/72/1045362572.db2.gz BKEYYXCRSSCFBS-UZLBHIALSA-N 2 2 315.505 4.165 20 0 DIADLP c1cc2ccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2[nH]1 ZINC000529568818 1045497641 /nfs/dbraw/zinc/49/76/41/1045497641.db2.gz XBBNTOPANGBIPW-UHFFFAOYSA-N 2 2 322.456 4.057 20 0 DIADLP Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000628201805 1045541867 /nfs/dbraw/zinc/54/18/67/1045541867.db2.gz WJAHNPUAPSHHJV-GOSISDBHSA-N 2 2 319.452 4.133 20 0 DIADLP c1cc2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)ccc2[nH]1 ZINC000628279640 1045564496 /nfs/dbraw/zinc/56/44/96/1045564496.db2.gz SEMBIKBHPTUNKZ-UHFFFAOYSA-N 2 2 322.456 4.057 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878024 1045585030 /nfs/dbraw/zinc/58/50/30/1045585030.db2.gz SCYWBYYHRVHRFZ-VQIMIIECSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878024 1045585038 /nfs/dbraw/zinc/58/50/38/1045585038.db2.gz SCYWBYYHRVHRFZ-VQIMIIECSA-N 2 2 312.457 4.231 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629536038 1045676209 /nfs/dbraw/zinc/67/62/09/1045676209.db2.gz FYLLLZLNSJUBBN-TXPKVOOTSA-N 2 2 324.468 4.153 20 0 DIADLP [NH3+][C@H]1CCCCc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000629742340 1045704452 /nfs/dbraw/zinc/70/44/52/1045704452.db2.gz REOMGYUHSTZJQP-NRFANRHFSA-N 2 2 317.436 4.325 20 0 DIADLP [NH3+][C@@H]1CCCCc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000629742341 1045706723 /nfs/dbraw/zinc/70/67/23/1045706723.db2.gz REOMGYUHSTZJQP-OAQYLSRUSA-N 2 2 317.436 4.325 20 0 DIADLP c1cn(Cc2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC000629742793 1045708444 /nfs/dbraw/zinc/70/84/44/1045708444.db2.gz XTLMXZSWCFRWPO-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662267 1045708992 /nfs/dbraw/zinc/70/89/92/1045708992.db2.gz ROUVQXDRAGKOCW-KBXCAEBGSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662267 1045709003 /nfs/dbraw/zinc/70/90/03/1045709003.db2.gz ROUVQXDRAGKOCW-KBXCAEBGSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662267 1045709016 /nfs/dbraw/zinc/70/90/16/1045709016.db2.gz ROUVQXDRAGKOCW-KBXCAEBGSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](CC)c2ccc(F)cc2F)C1 ZINC000530662267 1045709029 /nfs/dbraw/zinc/70/90/29/1045709029.db2.gz ROUVQXDRAGKOCW-KBXCAEBGSA-N 2 2 310.432 4.080 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000192158067 1045788594 /nfs/dbraw/zinc/78/85/94/1045788594.db2.gz SYZKQTVUCZLEKU-UHFFFAOYSA-N 2 2 321.399 4.099 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000754048400 1045836899 /nfs/dbraw/zinc/83/68/99/1045836899.db2.gz QLVBSFDYIJYEJF-APWZRJJASA-N 2 2 306.453 4.068 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000754048400 1045836914 /nfs/dbraw/zinc/83/69/14/1045836914.db2.gz QLVBSFDYIJYEJF-APWZRJJASA-N 2 2 306.453 4.068 20 0 DIADLP CCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(C)ccn1 ZINC000631571922 1045873789 /nfs/dbraw/zinc/87/37/89/1045873789.db2.gz HTBYDQGCZUHPCK-GOSISDBHSA-N 2 2 320.440 4.207 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000163344835 1045970348 /nfs/dbraw/zinc/97/03/48/1045970348.db2.gz BIVNRMXXUDESAC-QWHCGFSZSA-N 2 2 305.388 4.009 20 0 DIADLP CC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1ccncc1 ZINC000453304316 1046024910 /nfs/dbraw/zinc/02/49/10/1046024910.db2.gz PAOMCXTZRYITHD-HXUWFJFHSA-N 2 2 323.484 4.177 20 0 DIADLP CC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1ccncc1 ZINC000453304316 1046024922 /nfs/dbraw/zinc/02/49/22/1046024922.db2.gz PAOMCXTZRYITHD-HXUWFJFHSA-N 2 2 323.484 4.177 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1F ZINC001138011603 1046055667 /nfs/dbraw/zinc/05/56/67/1046055667.db2.gz AMVIKISOYOTFRA-UHFFFAOYSA-N 2 2 320.374 4.008 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1F ZINC001138011603 1046055684 /nfs/dbraw/zinc/05/56/84/1046055684.db2.gz AMVIKISOYOTFRA-UHFFFAOYSA-N 2 2 320.374 4.008 20 0 DIADLP C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902889362 1046101654 /nfs/dbraw/zinc/10/16/54/1046101654.db2.gz IFYKMSLQJGQOCV-QRWLVFNGSA-N 2 2 318.424 4.069 20 0 DIADLP C[C@H]([NH2+]C1(c2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902912365 1046108374 /nfs/dbraw/zinc/10/83/74/1046108374.db2.gz NSAISEJWXFPZGO-INIZCTEOSA-N 2 2 303.409 4.212 20 0 DIADLP CSCC1(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903048199 1046146915 /nfs/dbraw/zinc/14/69/15/1046146915.db2.gz JHOJYVZNWFPITQ-OAHLLOKOSA-N 2 2 315.486 4.056 20 0 DIADLP CCc1cccc2c(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001138364957 1046157144 /nfs/dbraw/zinc/15/71/44/1046157144.db2.gz XNJTZBUQWSLSMQ-UHFFFAOYSA-N 2 2 313.489 4.035 20 0 DIADLP CCc1cccc2c(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001138364957 1046157151 /nfs/dbraw/zinc/15/71/51/1046157151.db2.gz XNJTZBUQWSLSMQ-UHFFFAOYSA-N 2 2 313.489 4.035 20 0 DIADLP C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903337011 1046249383 /nfs/dbraw/zinc/24/93/83/1046249383.db2.gz ATFOGDDZCBUYCD-QRWLVFNGSA-N 2 2 318.424 4.069 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)CCC2 ZINC000903380922 1046260517 /nfs/dbraw/zinc/26/05/17/1046260517.db2.gz PTNQKMINELILJB-SFTDATJTSA-N 2 2 323.484 4.050 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903379635 1046260692 /nfs/dbraw/zinc/26/06/92/1046260692.db2.gz HNQOFQOKGQFYPI-PMACEKPBSA-N 2 2 311.473 4.061 20 0 DIADLP CC(C)[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903379636 1046261795 /nfs/dbraw/zinc/26/17/95/1046261795.db2.gz HNQOFQOKGQFYPI-UXHICEINSA-N 2 2 311.473 4.061 20 0 DIADLP CC(C)[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903379638 1046261986 /nfs/dbraw/zinc/26/19/86/1046261986.db2.gz HNQOFQOKGQFYPI-VQTJNVASSA-N 2 2 311.473 4.061 20 0 DIADLP CC(C)[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903379640 1046262146 /nfs/dbraw/zinc/26/21/46/1046262146.db2.gz HNQOFQOKGQFYPI-WOJBJXKFSA-N 2 2 311.473 4.061 20 0 DIADLP CC[N@H+](Cc1ccc(-c2cccs2)s1)C1CC[NH+](C)CC1 ZINC001139018014 1046358305 /nfs/dbraw/zinc/35/83/05/1046358305.db2.gz DUDSPBKOHODCMS-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC[N@@H+](Cc1ccc(-c2cccs2)s1)C1CC[NH+](C)CC1 ZINC001139018014 1046358312 /nfs/dbraw/zinc/35/83/12/1046358312.db2.gz DUDSPBKOHODCMS-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccs2)s1)C1CC[NH+](C)CC1 ZINC001139017118 1046359027 /nfs/dbraw/zinc/35/90/27/1046359027.db2.gz IVQHTVGNDSSICL-UHFFFAOYSA-N 2 2 306.500 4.003 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccs2)s1)C1CC[NH+](C)CC1 ZINC001139017118 1046359040 /nfs/dbraw/zinc/35/90/40/1046359040.db2.gz IVQHTVGNDSSICL-UHFFFAOYSA-N 2 2 306.500 4.003 20 0 DIADLP C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780882387 1046410254 /nfs/dbraw/zinc/41/02/54/1046410254.db2.gz MEAHUHJBWIOWRE-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780882387 1046410260 /nfs/dbraw/zinc/41/02/60/1046410260.db2.gz MEAHUHJBWIOWRE-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780882388 1046410555 /nfs/dbraw/zinc/41/05/55/1046410555.db2.gz MEAHUHJBWIOWRE-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780882388 1046410558 /nfs/dbraw/zinc/41/05/58/1046410558.db2.gz MEAHUHJBWIOWRE-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139357727 1046436713 /nfs/dbraw/zinc/43/67/13/1046436713.db2.gz HMAGTMINRVENEQ-UHFFFAOYSA-N 2 2 305.425 4.283 20 0 DIADLP CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139357727 1046436717 /nfs/dbraw/zinc/43/67/17/1046436717.db2.gz HMAGTMINRVENEQ-UHFFFAOYSA-N 2 2 305.425 4.283 20 0 DIADLP CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361963 1046438909 /nfs/dbraw/zinc/43/89/09/1046438909.db2.gz FIHBBFZEZKWKEP-FQEVSTJZSA-N 2 2 305.425 4.455 20 0 DIADLP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361963 1046438911 /nfs/dbraw/zinc/43/89/11/1046438911.db2.gz FIHBBFZEZKWKEP-FQEVSTJZSA-N 2 2 305.425 4.455 20 0 DIADLP Cc1csc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC001137293835 1046483929 /nfs/dbraw/zinc/48/39/29/1046483929.db2.gz DFTFDONNHKNYSE-CQSZACIVSA-N 2 2 322.861 4.148 20 0 DIADLP Cc1csc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC001137293835 1046483935 /nfs/dbraw/zinc/48/39/35/1046483935.db2.gz DFTFDONNHKNYSE-CQSZACIVSA-N 2 2 322.861 4.148 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139645123 1046493582 /nfs/dbraw/zinc/49/35/82/1046493582.db2.gz BRROFFKCNGFBLS-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139645123 1046493585 /nfs/dbraw/zinc/49/35/85/1046493585.db2.gz BRROFFKCNGFBLS-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC1(C)C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000677748912 1046521386 /nfs/dbraw/zinc/52/13/86/1046521386.db2.gz CDGSTLJLMFQDJA-IRXDYDNUSA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000677748912 1046521401 /nfs/dbraw/zinc/52/14/01/1046521401.db2.gz CDGSTLJLMFQDJA-IRXDYDNUSA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677751954 1046522261 /nfs/dbraw/zinc/52/22/61/1046522261.db2.gz BDHSUQQEMZIVBM-QGZVFWFLSA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000677751954 1046522267 /nfs/dbraw/zinc/52/22/67/1046522267.db2.gz BDHSUQQEMZIVBM-QGZVFWFLSA-N 2 2 322.443 4.207 20 0 DIADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001139892504 1046548532 /nfs/dbraw/zinc/54/85/32/1046548532.db2.gz RPENHSXYWBYVTM-UHFFFAOYSA-N 2 2 312.432 4.038 20 0 DIADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001139892504 1046548543 /nfs/dbraw/zinc/54/85/43/1046548543.db2.gz RPENHSXYWBYVTM-UHFFFAOYSA-N 2 2 312.432 4.038 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140027279 1046572993 /nfs/dbraw/zinc/57/29/93/1046572993.db2.gz GMKALCBDXFJHCJ-MJGOQNOKSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140027279 1046573005 /nfs/dbraw/zinc/57/30/05/1046573005.db2.gz GMKALCBDXFJHCJ-MJGOQNOKSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001140026930 1046573349 /nfs/dbraw/zinc/57/33/49/1046573349.db2.gz QHGWZFQVCPOBQS-IBGZPJMESA-N 2 2 303.409 4.128 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001140026930 1046573355 /nfs/dbraw/zinc/57/33/55/1046573355.db2.gz QHGWZFQVCPOBQS-IBGZPJMESA-N 2 2 303.409 4.128 20 0 DIADLP CN(c1ccc([NH2+]CCC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000783580606 1046610354 /nfs/dbraw/zinc/61/03/54/1046610354.db2.gz CBKZOSGWHRJXHQ-UHFFFAOYSA-N 2 2 303.494 4.065 20 0 DIADLP CC[C@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000784537273 1046695327 /nfs/dbraw/zinc/69/53/27/1046695327.db2.gz FRSXRVDMNLXYDW-SFHVURJKSA-N 2 2 311.454 4.349 20 0 DIADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000678769037 1046696315 /nfs/dbraw/zinc/69/63/15/1046696315.db2.gz ZGUFDNWHSYBNRW-UZLBHIALSA-N 2 2 309.457 4.187 20 0 DIADLP CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000796869944 1046750064 /nfs/dbraw/zinc/75/00/64/1046750064.db2.gz PAQOFDXOWJZTHI-VQTJNVASSA-N 2 2 315.505 4.064 20 0 DIADLP Fc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)c1 ZINC000646002289 1046840532 /nfs/dbraw/zinc/84/05/32/1046840532.db2.gz COMCMHHKOIQJMO-UHFFFAOYSA-N 2 2 321.399 4.180 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000666785653 1046876845 /nfs/dbraw/zinc/87/68/45/1046876845.db2.gz RZPPBYJMKUXSQS-NRFANRHFSA-N 2 2 319.452 4.148 20 0 DIADLP Cc1ccc(CNc2cc[nH+]c3ccsc32)c(N2CCCC2)[nH+]1 ZINC000679706282 1046891562 /nfs/dbraw/zinc/89/15/62/1046891562.db2.gz SOBCEEAPEMERGT-UHFFFAOYSA-N 2 2 324.453 4.212 20 0 DIADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001140802806 1046907325 /nfs/dbraw/zinc/90/73/25/1046907325.db2.gz FHVBGYRRSNOOQH-UHFFFAOYSA-N 2 2 319.452 4.408 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000162161099 1046946877 /nfs/dbraw/zinc/94/68/77/1046946877.db2.gz SYDBGHXLOMGXCV-KRWDZBQOSA-N 2 2 312.457 4.212 20 0 DIADLP c1cn(-c2csc(C[N@H+](C3CC3)C3CCCCC3)c2)c[nH+]1 ZINC000680327203 1046963553 /nfs/dbraw/zinc/96/35/53/1046963553.db2.gz NWMAGZXCWHGEAY-UHFFFAOYSA-N 2 2 301.459 4.231 20 0 DIADLP c1cn(-c2csc(C[N@@H+](C3CC3)C3CCCCC3)c2)c[nH+]1 ZINC000680327203 1046963557 /nfs/dbraw/zinc/96/35/57/1046963557.db2.gz NWMAGZXCWHGEAY-UHFFFAOYSA-N 2 2 301.459 4.231 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001141386320 1047113904 /nfs/dbraw/zinc/11/39/04/1047113904.db2.gz DFYPSAVICDDQKA-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2cccc(-c3ccsc3)c2)CC1 ZINC001141386320 1047113908 /nfs/dbraw/zinc/11/39/08/1047113908.db2.gz DFYPSAVICDDQKA-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP Cc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000536866746 1047116434 /nfs/dbraw/zinc/11/64/34/1047116434.db2.gz AFQCJNINNLOVGX-QGZVFWFLSA-N 2 2 305.425 4.074 20 0 DIADLP Cc1cc(NC2CC[NH+](C3CCCC3)CC2)[nH+]c2ccccc12 ZINC001116202982 1047118907 /nfs/dbraw/zinc/11/89/07/1047118907.db2.gz WROOQIDJGFKGDI-UHFFFAOYSA-N 2 2 309.457 4.362 20 0 DIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1cccc(O)c1 ZINC000080932979 1047123248 /nfs/dbraw/zinc/12/32/48/1047123248.db2.gz KQIVBOVUERKTOT-MRXNPFEDSA-N 2 2 321.424 4.161 20 0 DIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1cccc(O)c1 ZINC000080932979 1047123254 /nfs/dbraw/zinc/12/32/54/1047123254.db2.gz KQIVBOVUERKTOT-MRXNPFEDSA-N 2 2 321.424 4.161 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000536998405 1047130700 /nfs/dbraw/zinc/13/07/00/1047130700.db2.gz UBJJFHPBEODDKH-HXUWFJFHSA-N 2 2 305.425 4.359 20 0 DIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C=C1CCC(C)(C)CC1 ZINC001116358700 1047132523 /nfs/dbraw/zinc/13/25/23/1047132523.db2.gz NSGZZDNJRHJWKM-UHFFFAOYSA-N 2 2 324.428 4.041 20 0 DIADLP CC(C)Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000537290326 1047160009 /nfs/dbraw/zinc/16/00/09/1047160009.db2.gz MMURTLDUIWHMRW-FQEVSTJZSA-N 2 2 311.473 4.213 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000537297031 1047161015 /nfs/dbraw/zinc/16/10/15/1047161015.db2.gz KHRMXEJLWNXOGI-HNNXBMFYSA-N 2 2 314.473 4.439 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838908589 1047171629 /nfs/dbraw/zinc/17/16/29/1047171629.db2.gz HADJCQXWQWNCBI-FDYSRKEFSA-N 2 2 311.473 4.008 20 0 DIADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000682142854 1047177033 /nfs/dbraw/zinc/17/70/33/1047177033.db2.gz WJEWCFRXVNAMGI-VQIMIIECSA-N 2 2 305.425 4.092 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325445795 1047189877 /nfs/dbraw/zinc/18/98/77/1047189877.db2.gz OIMGNMLMMDNALL-CVEARBPZSA-N 2 2 321.424 4.293 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]CCC1CCCCC1)c1ccccc1 ZINC000682997368 1047248371 /nfs/dbraw/zinc/24/83/71/1047248371.db2.gz NEHAHSYDZMMYCH-IBGZPJMESA-N 2 2 311.473 4.264 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)c2ccccc21 ZINC000650741789 1047277576 /nfs/dbraw/zinc/27/75/76/1047277576.db2.gz LOWBQPHHBRWCCP-ROUUACIJSA-N 2 2 312.844 4.454 20 0 DIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651670530 1047323407 /nfs/dbraw/zinc/32/34/07/1047323407.db2.gz MBQSQLHZTBLCSZ-KRWDZBQOSA-N 2 2 323.484 4.272 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532758 1047346163 /nfs/dbraw/zinc/34/61/63/1047346163.db2.gz GRKFDIBUFBSHLL-WDEREUQCSA-N 2 2 319.251 4.125 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532758 1047346172 /nfs/dbraw/zinc/34/61/72/1047346172.db2.gz GRKFDIBUFBSHLL-WDEREUQCSA-N 2 2 319.251 4.125 20 0 DIADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000045105646 1047358847 /nfs/dbraw/zinc/35/88/47/1047358847.db2.gz QOGKVHRHRGSATI-QGZVFWFLSA-N 2 2 305.853 4.448 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+](C)C3CC[NH+](C)CC3)cc2)cc1 ZINC001142299814 1047424189 /nfs/dbraw/zinc/42/41/89/1047424189.db2.gz DFGIVKCOCSRNPS-UHFFFAOYSA-N 2 2 308.469 4.188 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(Cl)oc3ccccc32)[C@H](C)C1 ZINC000537616217 1047453682 /nfs/dbraw/zinc/45/36/82/1047453682.db2.gz JRJDACUULMWQEW-CJNGLKHVSA-N 2 2 320.864 4.248 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(Cl)oc3ccccc32)[C@H](C)C1 ZINC000537616217 1047453688 /nfs/dbraw/zinc/45/36/88/1047453688.db2.gz JRJDACUULMWQEW-CJNGLKHVSA-N 2 2 320.864 4.248 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(Cl)oc3ccccc32)[C@H](C)C1 ZINC000537616217 1047453692 /nfs/dbraw/zinc/45/36/92/1047453692.db2.gz JRJDACUULMWQEW-CJNGLKHVSA-N 2 2 320.864 4.248 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(Cl)oc3ccccc32)[C@H](C)C1 ZINC000537616217 1047453697 /nfs/dbraw/zinc/45/36/97/1047453697.db2.gz JRJDACUULMWQEW-CJNGLKHVSA-N 2 2 320.864 4.248 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000119651741 1047467719 /nfs/dbraw/zinc/46/77/19/1047467719.db2.gz JFPOHAOXMPFFDV-LLVKDONJSA-N 2 2 313.272 4.271 20 0 DIADLP Cc1[nH+]cn(C2CCC(c3ccc(Cl)cc3)CC2)c1CC[NH3+] ZINC001168334044 1047476190 /nfs/dbraw/zinc/47/61/90/1047476190.db2.gz JAWSCRWKYIJPFT-UHFFFAOYSA-N 2 2 317.864 4.245 20 0 DIADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000537652542 1047566625 /nfs/dbraw/zinc/56/66/25/1047566625.db2.gz RUOHZNROJQTKME-AHRSYUTCSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394629 1047673969 /nfs/dbraw/zinc/67/39/69/1047673969.db2.gz IPZIFDRGXDVJET-XUJVJEKNSA-N 2 2 306.837 4.220 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394629 1047673971 /nfs/dbraw/zinc/67/39/71/1047673971.db2.gz IPZIFDRGXDVJET-XUJVJEKNSA-N 2 2 306.837 4.220 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394626 1047674206 /nfs/dbraw/zinc/67/42/06/1047674206.db2.gz IPZIFDRGXDVJET-HUBLWGQQSA-N 2 2 306.837 4.220 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394626 1047674211 /nfs/dbraw/zinc/67/42/11/1047674211.db2.gz IPZIFDRGXDVJET-HUBLWGQQSA-N 2 2 306.837 4.220 20 0 DIADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000538452723 1047679460 /nfs/dbraw/zinc/67/94/60/1047679460.db2.gz DMEQJAWPMDYEKN-LJQANCHMSA-N 2 2 311.429 4.396 20 0 DIADLP Cc1[nH+]c(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)cc2[nH]ccc21 ZINC001155962215 1047693526 /nfs/dbraw/zinc/69/35/26/1047693526.db2.gz BZUPUZBAKLSIBH-UHFFFAOYSA-N 2 2 308.429 4.477 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243180 1047744179 /nfs/dbraw/zinc/74/41/79/1047744179.db2.gz JZIGPKZWPIRQAK-GHMZBOCLSA-N 2 2 319.251 4.267 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243180 1047744182 /nfs/dbraw/zinc/74/41/82/1047744182.db2.gz JZIGPKZWPIRQAK-GHMZBOCLSA-N 2 2 319.251 4.267 20 0 DIADLP CCSc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158271481 1047773080 /nfs/dbraw/zinc/77/30/80/1047773080.db2.gz HRMIXVRVNPVRNA-DYVFJYSZSA-N 2 2 307.507 4.149 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553072623 1047820603 /nfs/dbraw/zinc/82/06/03/1047820603.db2.gz PUYZGWRPGOHPJP-AWEZNQCLSA-N 2 2 317.864 4.056 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553072623 1047820611 /nfs/dbraw/zinc/82/06/11/1047820611.db2.gz PUYZGWRPGOHPJP-AWEZNQCLSA-N 2 2 317.864 4.056 20 0 DIADLP CCCCc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1 ZINC001159261457 1047824788 /nfs/dbraw/zinc/82/47/88/1047824788.db2.gz JKYFGAXRPVXHTK-UHFFFAOYSA-N 2 2 324.472 4.095 20 0 DIADLP CC[NH+](CC)c1ccc(Nc2cc([C@@H]3CCCC[NH2+]3)no2)cc1 ZINC001159313271 1047832028 /nfs/dbraw/zinc/83/20/28/1047832028.db2.gz KWTRGDFDJDRXOR-INIZCTEOSA-N 2 2 314.433 4.079 20 0 DIADLP [NH3+]C1CCN(c2ccc(Nc3ccc(C4CCC4)cc3)c[nH+]2)CC1 ZINC001159323249 1047834488 /nfs/dbraw/zinc/83/44/88/1047834488.db2.gz IPLQAVYYFOHRIS-UHFFFAOYSA-N 2 2 322.456 4.020 20 0 DIADLP Cc1c[nH+]c(C)c(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001159389692 1047839102 /nfs/dbraw/zinc/83/91/02/1047839102.db2.gz LTOHGDLLFVXWPW-MAZHCROVSA-N 2 2 310.445 4.068 20 0 DIADLP Cc1c[nH+]cc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)c1C ZINC001159392129 1047839493 /nfs/dbraw/zinc/83/94/93/1047839493.db2.gz WLCCPQLDJWSUHN-WQVCFCJDSA-N 2 2 310.445 4.068 20 0 DIADLP Cc1c[nH+]ccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC001174535967 1047863242 /nfs/dbraw/zinc/86/32/42/1047863242.db2.gz GVJLQAYIVTVESH-UHFFFAOYSA-N 2 2 303.287 4.123 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197701678 1047871606 /nfs/dbraw/zinc/87/16/06/1047871606.db2.gz NXALTKVNKHWLGC-RBUKOAKNSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197701678 1047871620 /nfs/dbraw/zinc/87/16/20/1047871620.db2.gz NXALTKVNKHWLGC-RBUKOAKNSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001197701678 1047871639 /nfs/dbraw/zinc/87/16/39/1047871639.db2.gz NXALTKVNKHWLGC-RBUKOAKNSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001197701678 1047871656 /nfs/dbraw/zinc/87/16/56/1047871656.db2.gz NXALTKVNKHWLGC-RBUKOAKNSA-N 2 2 308.469 4.071 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159598143 1047877713 /nfs/dbraw/zinc/87/77/13/1047877713.db2.gz HRRMVIPIRGHONS-UHFFFAOYSA-N 2 2 307.441 4.478 20 0 DIADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479534306 1047920904 /nfs/dbraw/zinc/92/09/04/1047920904.db2.gz DIIBVOWKUUIWLR-GTPINHCMSA-N 2 2 312.457 4.409 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000479544939 1047923216 /nfs/dbraw/zinc/92/32/16/1047923216.db2.gz SPFBTKNKQGAVSV-FXAWDEMLSA-N 2 2 309.457 4.013 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000479542573 1047924572 /nfs/dbraw/zinc/92/45/72/1047924572.db2.gz PKQFNAYPEVUMRT-QGZVFWFLSA-N 2 2 315.848 4.204 20 0 DIADLP Cc1cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc[nH+]1 ZINC001174651424 1047935786 /nfs/dbraw/zinc/93/57/86/1047935786.db2.gz IURLQBRFBDLQPU-UHFFFAOYSA-N 2 2 303.287 4.123 20 0 DIADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842936 1047968444 /nfs/dbraw/zinc/96/84/44/1047968444.db2.gz QAOGGRVSQJKFHD-SWLSCSKDSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842936 1047968453 /nfs/dbraw/zinc/96/84/53/1047968453.db2.gz QAOGGRVSQJKFHD-SWLSCSKDSA-N 2 2 306.500 4.036 20 0 DIADLP Cc1cc(Nc2ccc(CC3CC[NH2+]CC3)cc2)ccc1[NH+](C)C ZINC001160015629 1047970351 /nfs/dbraw/zinc/97/03/51/1047970351.db2.gz YBLVSDKIGAAZBK-UHFFFAOYSA-N 2 2 323.484 4.347 20 0 DIADLP C[C@@H](Cc1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC001174760369 1047980511 /nfs/dbraw/zinc/98/05/11/1047980511.db2.gz OHSNCCSFICOFQD-IBGZPJMESA-N 2 2 319.452 4.017 20 0 DIADLP C[C@@H](Cc1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC001174760369 1047980516 /nfs/dbraw/zinc/98/05/16/1047980516.db2.gz OHSNCCSFICOFQD-IBGZPJMESA-N 2 2 319.452 4.017 20 0 DIADLP COc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc2ccccc21 ZINC000924729804 1047993805 /nfs/dbraw/zinc/99/38/05/1047993805.db2.gz BNIBXVXKZSTVME-INIZCTEOSA-N 2 2 323.440 4.176 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000554082862 1048004267 /nfs/dbraw/zinc/00/42/67/1048004267.db2.gz BMMDYJIFMQQCBY-ZCNNSNEGSA-N 2 2 309.457 4.019 20 0 DIADLP c1cn(CCCC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC001199648794 1048083193 /nfs/dbraw/zinc/08/31/93/1048083193.db2.gz NVNDNMVXSWUKPB-WOJBJXKFSA-N 2 2 311.473 4.369 20 0 DIADLP Cc1nc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)cc(C(C)C)[nH+]1 ZINC001160842090 1048090093 /nfs/dbraw/zinc/09/00/93/1048090093.db2.gz BOAYFRGRDICHDZ-UHFFFAOYSA-N 2 2 322.456 4.089 20 0 DIADLP CC(C)(C)CN(c1cc2ccccc2c[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161675128 1048153048 /nfs/dbraw/zinc/15/30/48/1048153048.db2.gz MYFQDMUOJSKYOX-IYARVYRRSA-N 2 2 311.473 4.357 20 0 DIADLP CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001200924050 1048158299 /nfs/dbraw/zinc/15/82/99/1048158299.db2.gz YTUKQKNFTOFWPB-UKRRQHHQSA-N 2 2 321.515 4.088 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628427 1048195823 /nfs/dbraw/zinc/19/58/23/1048195823.db2.gz XWQZVYDKZLWDNS-IUIKQTSFSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628427 1048195832 /nfs/dbraw/zinc/19/58/32/1048195832.db2.gz XWQZVYDKZLWDNS-IUIKQTSFSA-N 2 2 313.272 4.271 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000480635540 1048205472 /nfs/dbraw/zinc/20/54/72/1048205472.db2.gz AVGSAAOOIWAQBR-USXIJHARSA-N 2 2 304.503 4.076 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000480635540 1048205481 /nfs/dbraw/zinc/20/54/81/1048205481.db2.gz AVGSAAOOIWAQBR-USXIJHARSA-N 2 2 304.503 4.076 20 0 DIADLP C[N@H+](Cc1ccccc1Nc1ccc(N)[nH+]c1)C1CCCCC1 ZINC001201292644 1048228549 /nfs/dbraw/zinc/22/85/49/1048228549.db2.gz RFDCGAPAZXPZCF-UHFFFAOYSA-N 2 2 310.445 4.172 20 0 DIADLP C[N@@H+](Cc1ccccc1Nc1ccc(N)[nH+]c1)C1CCCCC1 ZINC001201292644 1048228560 /nfs/dbraw/zinc/22/85/60/1048228560.db2.gz RFDCGAPAZXPZCF-UHFFFAOYSA-N 2 2 310.445 4.172 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(-c2cccs2)cc1 ZINC000480751033 1048233739 /nfs/dbraw/zinc/23/37/39/1048233739.db2.gz PSTWRGGXBITNNK-LSDHHAIUSA-N 2 2 311.454 4.351 20 0 DIADLP CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000480762344 1048240068 /nfs/dbraw/zinc/24/00/68/1048240068.db2.gz DPGNUQGMKISNDO-SFHVURJKSA-N 2 2 303.494 4.101 20 0 DIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2ccccc2c1 ZINC000480774060 1048242509 /nfs/dbraw/zinc/24/25/09/1048242509.db2.gz LDGHSXODMOUXKD-INIZCTEOSA-N 2 2 319.452 4.266 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001201427435 1048263357 /nfs/dbraw/zinc/26/33/57/1048263357.db2.gz NDDZGYZYCHZPBR-QGZVFWFLSA-N 2 2 316.464 4.078 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001201427435 1048263367 /nfs/dbraw/zinc/26/33/67/1048263367.db2.gz NDDZGYZYCHZPBR-QGZVFWFLSA-N 2 2 316.464 4.078 20 0 DIADLP CC(C)=CCC[C@@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201488091 1048280054 /nfs/dbraw/zinc/28/00/54/1048280054.db2.gz WYWDNYJRIKAQFT-QGZVFWFLSA-N 2 2 302.462 4.307 20 0 DIADLP Cn1c[nH+]c2cc(Nc3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC001175365883 1048280412 /nfs/dbraw/zinc/28/04/12/1048280412.db2.gz FRNAADDHIKUOSR-UHFFFAOYSA-N 2 2 320.440 4.303 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001201566923 1048319449 /nfs/dbraw/zinc/31/94/49/1048319449.db2.gz QEOFJOPJEKEMNY-ZACQAIPSSA-N 2 2 315.505 4.021 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000555378371 1048336164 /nfs/dbraw/zinc/33/61/64/1048336164.db2.gz RFYKMKQIKSCCDR-AEFFLSMTSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000555378371 1048336179 /nfs/dbraw/zinc/33/61/79/1048336179.db2.gz RFYKMKQIKSCCDR-AEFFLSMTSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000555378371 1048336194 /nfs/dbraw/zinc/33/61/94/1048336194.db2.gz RFYKMKQIKSCCDR-AEFFLSMTSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000555378371 1048336206 /nfs/dbraw/zinc/33/62/06/1048336206.db2.gz RFYKMKQIKSCCDR-AEFFLSMTSA-N 2 2 317.521 4.072 20 0 DIADLP Cc1ccc2c(c1)[C@@H](Nc1c[nH+]cc(C)c1C)CC21CC[NH2+]CC1 ZINC001163033548 1048405349 /nfs/dbraw/zinc/40/53/49/1048405349.db2.gz HHTWBUUAJFJPSP-IBGZPJMESA-N 2 2 321.468 4.185 20 0 DIADLP Cc1ccccc1CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668855 1048412831 /nfs/dbraw/zinc/41/28/31/1048412831.db2.gz IHGYNKVCLZSVGT-NRFANRHFSA-N 2 2 319.452 4.155 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001163219442 1048439502 /nfs/dbraw/zinc/43/95/02/1048439502.db2.gz WARSEWKSRYCIJA-CTNGQTDRSA-N 2 2 323.484 4.356 20 0 DIADLP Cc1cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC001163248954 1048444327 /nfs/dbraw/zinc/44/43/27/1048444327.db2.gz OBLMJJRGRPUQMQ-HNAYVOBHSA-N 2 2 324.472 4.074 20 0 DIADLP CCC(CC)(CC)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000667913005 1048446401 /nfs/dbraw/zinc/44/64/01/1048446401.db2.gz UZDBRGQOGVKSLX-KRWDZBQOSA-N 2 2 317.521 4.413 20 0 DIADLP CC(C)c1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001204167883 1048551756 /nfs/dbraw/zinc/55/17/56/1048551756.db2.gz GSRICRGLNFAVHP-UHFFFAOYSA-N 2 2 318.480 4.208 20 0 DIADLP CC1(C)C[C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000482245326 1048572185 /nfs/dbraw/zinc/57/21/85/1048572185.db2.gz PYAJBXHCCKZLEK-SFHVURJKSA-N 2 2 309.457 4.286 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)CCC2 ZINC000482267636 1048579767 /nfs/dbraw/zinc/57/97/67/1048579767.db2.gz QAFMMFYFFMGIBQ-MRXNPFEDSA-N 2 2 309.457 4.113 20 0 DIADLP Cc1cc[nH+]c(C(C)C)c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176229334 1048610523 /nfs/dbraw/zinc/61/05/23/1048610523.db2.gz BPHNNSICGJLFMN-UHFFFAOYSA-N 2 2 313.445 4.197 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]c1C ZINC001164491779 1048633979 /nfs/dbraw/zinc/63/39/79/1048633979.db2.gz GGROGZWRTPXDQG-CEWLAPEOSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]c1C ZINC001164491779 1048633985 /nfs/dbraw/zinc/63/39/85/1048633985.db2.gz GGROGZWRTPXDQG-CEWLAPEOSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164491452 1048634174 /nfs/dbraw/zinc/63/41/74/1048634174.db2.gz DRYMWNSHEBUFJV-SLFFLAALSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164491452 1048634179 /nfs/dbraw/zinc/63/41/79/1048634179.db2.gz DRYMWNSHEBUFJV-SLFFLAALSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164491582 1048635128 /nfs/dbraw/zinc/63/51/28/1048635128.db2.gz FEMOHEJJWFRUKM-XUVXKRRUSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164491582 1048635134 /nfs/dbraw/zinc/63/51/34/1048635134.db2.gz FEMOHEJJWFRUKM-XUVXKRRUSA-N 2 2 321.468 4.021 20 0 DIADLP CCC(CC)(C[NH2+]Cc1ccn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000482755150 1048671708 /nfs/dbraw/zinc/67/17/08/1048671708.db2.gz UOJKODYPKAILFB-KRWDZBQOSA-N 2 2 313.489 4.024 20 0 DIADLP c1cn(-c2ccc(C[NH2+]CC(C3CCC3)C3CCC3)cc2)c[nH+]1 ZINC001203235444 1048700175 /nfs/dbraw/zinc/70/01/75/1048700175.db2.gz QETRCTSTEPIPEG-UHFFFAOYSA-N 2 2 309.457 4.178 20 0 DIADLP c1cn(Cc2ccccc2)c(CC[NH2+]CCC2CCCCC2)[nH+]1 ZINC000483247227 1048762936 /nfs/dbraw/zinc/76/29/36/1048762936.db2.gz MXSVSSDOUZZMBB-UHFFFAOYSA-N 2 2 311.473 4.034 20 0 DIADLP CCCc1cc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)nc(C)[nH+]1 ZINC001166654806 1048776450 /nfs/dbraw/zinc/77/64/50/1048776450.db2.gz NIJXLVDVNPGPEK-KRWDZBQOSA-N 2 2 320.440 4.106 20 0 DIADLP c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C[NH+]2CCCC2)c1 ZINC001176751048 1048777515 /nfs/dbraw/zinc/77/75/15/1048777515.db2.gz UDNAORBDPZSDFM-UHFFFAOYSA-N 2 2 322.456 4.021 20 0 DIADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000483440537 1048800480 /nfs/dbraw/zinc/80/04/80/1048800480.db2.gz OCDUFMJFXNLPGS-LPHOPBHVSA-N 2 2 311.473 4.372 20 0 DIADLP Cc1cc2cc[nH]c2c(NC[C@H](c2ccccc2)[NH+]2CCCC2)[nH+]1 ZINC001166864667 1048805372 /nfs/dbraw/zinc/80/53/72/1048805372.db2.gz FZNVBVWSGVOSDI-GOSISDBHSA-N 2 2 320.440 4.120 20 0 DIADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC001177092540 1048828525 /nfs/dbraw/zinc/82/85/25/1048828525.db2.gz HFHHRMIEWSBSQE-UHFFFAOYSA-N 2 2 322.399 4.046 20 0 DIADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2C[C@H](c3ccccc3)C[C@H](C)C2)C1 ZINC001177261999 1048861559 /nfs/dbraw/zinc/86/15/59/1048861559.db2.gz NDCBLUQFONOXRH-MMKMLUHNSA-N 2 2 314.517 4.280 20 0 DIADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2C[C@H](c3ccccc3)C[C@H](C)C2)C1 ZINC001177261999 1048861574 /nfs/dbraw/zinc/86/15/74/1048861574.db2.gz NDCBLUQFONOXRH-MMKMLUHNSA-N 2 2 314.517 4.280 20 0 DIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000163256148 1048866675 /nfs/dbraw/zinc/86/66/75/1048866675.db2.gz VUHZEWGTWQHDKB-VHSXEESVSA-N 2 2 307.290 4.047 20 0 DIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000163256148 1048866690 /nfs/dbraw/zinc/86/66/90/1048866690.db2.gz VUHZEWGTWQHDKB-VHSXEESVSA-N 2 2 307.290 4.047 20 0 DIADLP CC(C)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001177463498 1048890585 /nfs/dbraw/zinc/89/05/85/1048890585.db2.gz BCDAJHDWDBFCCS-UHFFFAOYSA-N 2 2 311.454 4.347 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(Cl)c1 ZINC000484292216 1048920694 /nfs/dbraw/zinc/92/06/94/1048920694.db2.gz IBRVZQLFOYRRFE-LBPRGKRZSA-N 2 2 307.800 4.027 20 0 DIADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001177594577 1048922131 /nfs/dbraw/zinc/92/21/31/1048922131.db2.gz KYHDTNQMRONKMO-KRWDZBQOSA-N 2 2 304.522 4.093 20 0 DIADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001177594577 1048922138 /nfs/dbraw/zinc/92/21/38/1048922138.db2.gz KYHDTNQMRONKMO-KRWDZBQOSA-N 2 2 304.522 4.093 20 0 DIADLP CCCOc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000484310628 1048924853 /nfs/dbraw/zinc/92/48/53/1048924853.db2.gz PSUXDUFZEWRACX-MRXNPFEDSA-N 2 2 313.445 4.023 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCNc1cccc[nH+]1 ZINC001177937981 1048966929 /nfs/dbraw/zinc/96/69/29/1048966929.db2.gz PEHHAURAWZRBTR-FYWRMAATSA-N 2 2 315.848 4.230 20 0 DIADLP c1cn(-c2cccc(Nc3ccc(C[NH+]4CCCC4)cc3)c2)c[nH+]1 ZINC001203806672 1049001288 /nfs/dbraw/zinc/00/12/88/1049001288.db2.gz BOJQQUFWDXQUCF-UHFFFAOYSA-N 2 2 318.424 4.212 20 0 DIADLP c1ccc(Oc2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)cc1 ZINC001203945015 1049039959 /nfs/dbraw/zinc/03/99/59/1049039959.db2.gz XEOLDISCLHDSEB-UHFFFAOYSA-N 2 2 322.452 4.149 20 0 DIADLP CC[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748981 1049080786 /nfs/dbraw/zinc/08/07/86/1049080786.db2.gz YIRSQSFXHJKWGM-HSALFYBXSA-N 2 2 314.517 4.455 20 0 DIADLP CC[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748981 1049080800 /nfs/dbraw/zinc/08/08/00/1049080800.db2.gz YIRSQSFXHJKWGM-HSALFYBXSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000484923382 1049084430 /nfs/dbraw/zinc/08/44/30/1049084430.db2.gz TVNUNNVKSAZHFS-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000484923382 1049084444 /nfs/dbraw/zinc/08/44/44/1049084444.db2.gz TVNUNNVKSAZHFS-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923382 1049084458 /nfs/dbraw/zinc/08/44/58/1049084458.db2.gz TVNUNNVKSAZHFS-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923382 1049084469 /nfs/dbraw/zinc/08/44/69/1049084469.db2.gz TVNUNNVKSAZHFS-HKUYNNGSSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC001178881328 1049105022 /nfs/dbraw/zinc/10/50/22/1049105022.db2.gz BXMVIDHEYHAHIL-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001179044623 1049122590 /nfs/dbraw/zinc/12/25/90/1049122590.db2.gz LOUSVQSPUMUEII-WZOJCFFYSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001179044623 1049122591 /nfs/dbraw/zinc/12/25/91/1049122591.db2.gz LOUSVQSPUMUEII-WZOJCFFYSA-N 2 2 306.538 4.445 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1Cl ZINC001179168976 1049138605 /nfs/dbraw/zinc/13/86/05/1049138605.db2.gz ODBWZIDKLQWTQK-KRWDZBQOSA-N 2 2 306.881 4.145 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1Cl ZINC001179168976 1049138611 /nfs/dbraw/zinc/13/86/11/1049138611.db2.gz ODBWZIDKLQWTQK-KRWDZBQOSA-N 2 2 306.881 4.145 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC001204447609 1049164732 /nfs/dbraw/zinc/16/47/32/1049164732.db2.gz KGPDJFIMJJINSF-UHFFFAOYSA-N 2 2 300.899 4.098 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC001204447609 1049164737 /nfs/dbraw/zinc/16/47/37/1049164737.db2.gz KGPDJFIMJJINSF-UHFFFAOYSA-N 2 2 300.899 4.098 20 0 DIADLP Cc1cn2c(cccc2Nc2ccc(C[NH2+]C(C)(C)C)cc2)[nH+]1 ZINC001204670559 1049218365 /nfs/dbraw/zinc/21/83/65/1049218365.db2.gz AGBIBTNUPNNQDS-UHFFFAOYSA-N 2 2 308.429 4.274 20 0 DIADLP CC(C)(C)[NH2+]Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001204677797 1049220479 /nfs/dbraw/zinc/22/04/79/1049220479.db2.gz SUZNCBQWSMYZKW-UHFFFAOYSA-N 2 2 324.472 4.314 20 0 DIADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001205331864 1049441220 /nfs/dbraw/zinc/44/12/20/1049441220.db2.gz KWLAKAZKWGGNMD-AWEZNQCLSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001205331864 1049441225 /nfs/dbraw/zinc/44/12/25/1049441225.db2.gz KWLAKAZKWGGNMD-AWEZNQCLSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Cl ZINC000486690427 1049454897 /nfs/dbraw/zinc/45/48/97/1049454897.db2.gz TWBPQLMHOVCIME-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001181436323 1049482802 /nfs/dbraw/zinc/48/28/02/1049482802.db2.gz PHZFQWBSEIFLRH-PMACEKPBSA-N 2 2 316.533 4.498 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001181436323 1049482807 /nfs/dbraw/zinc/48/28/07/1049482807.db2.gz PHZFQWBSEIFLRH-PMACEKPBSA-N 2 2 316.533 4.498 20 0 DIADLP Cc1c(Cl)ccc(C[N@H+](C)CCCn2cc[nH+]c2)c1Cl ZINC001181515690 1049489911 /nfs/dbraw/zinc/48/99/11/1049489911.db2.gz WOOXBLDNBXPBDI-UHFFFAOYSA-N 2 2 312.244 4.020 20 0 DIADLP Cc1c(Cl)ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1Cl ZINC001181515690 1049489915 /nfs/dbraw/zinc/48/99/15/1049489915.db2.gz WOOXBLDNBXPBDI-UHFFFAOYSA-N 2 2 312.244 4.020 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001182035088 1049561310 /nfs/dbraw/zinc/56/13/10/1049561310.db2.gz WKADADGPKYSJHH-QLFBSQMISA-N 2 2 315.848 4.052 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)c2ccccc21 ZINC000629550170 1049573585 /nfs/dbraw/zinc/57/35/85/1049573585.db2.gz JSDXDPBJGUMLFG-STQMWFEESA-N 2 2 312.360 4.001 20 0 DIADLP C[C@H]1C[C@@H](c2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2)C[NH2+]1 ZINC000863690156 1049589296 /nfs/dbraw/zinc/58/92/96/1049589296.db2.gz LWPNCIALXCBFCN-HRAATJIYSA-N 2 2 317.436 4.064 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001205908400 1049599748 /nfs/dbraw/zinc/59/97/48/1049599748.db2.gz SGSSLVBEGRTRRM-QGZVFWFLSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001205908400 1049599760 /nfs/dbraw/zinc/59/97/60/1049599760.db2.gz SGSSLVBEGRTRRM-QGZVFWFLSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000864001530 1049611997 /nfs/dbraw/zinc/61/19/97/1049611997.db2.gz MCAVVZKHEMHDPC-INIZCTEOSA-N 2 2 323.484 4.304 20 0 DIADLP C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000864001530 1049612000 /nfs/dbraw/zinc/61/20/00/1049612000.db2.gz MCAVVZKHEMHDPC-INIZCTEOSA-N 2 2 323.484 4.304 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC001196488773 1049660936 /nfs/dbraw/zinc/66/09/36/1049660936.db2.gz DXXBNYOVOGTTIL-HJOIGYKYSA-N 2 2 315.436 4.187 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001206167579 1049673386 /nfs/dbraw/zinc/67/33/86/1049673386.db2.gz IKQYJELTDVQEIU-AOIWGVFYSA-N 2 2 302.506 4.311 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001206167579 1049673396 /nfs/dbraw/zinc/67/33/96/1049673396.db2.gz IKQYJELTDVQEIU-AOIWGVFYSA-N 2 2 302.506 4.311 20 0 DIADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001206276244 1049696102 /nfs/dbraw/zinc/69/61/02/1049696102.db2.gz CTYICGLRYAPWQE-OAHLLOKOSA-N 2 2 314.860 4.048 20 0 DIADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001206276244 1049696123 /nfs/dbraw/zinc/69/61/23/1049696123.db2.gz CTYICGLRYAPWQE-OAHLLOKOSA-N 2 2 314.860 4.048 20 0 DIADLP C[C@@H](C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335506 1049714514 /nfs/dbraw/zinc/71/45/14/1049714514.db2.gz FLOCYGCPFIZUGS-OXJNMPFZSA-N 2 2 314.448 4.096 20 0 DIADLP C[C@@H](C[N@H+]1CCCC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335506 1049714522 /nfs/dbraw/zinc/71/45/22/1049714522.db2.gz FLOCYGCPFIZUGS-OXJNMPFZSA-N 2 2 314.448 4.096 20 0 DIADLP C[C@@H](C[N@@H+]1CCCC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335505 1049714660 /nfs/dbraw/zinc/71/46/60/1049714660.db2.gz FLOCYGCPFIZUGS-JXFKEZNVSA-N 2 2 314.448 4.096 20 0 DIADLP C[C@@H](C[N@H+]1CCCC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335505 1049714671 /nfs/dbraw/zinc/71/46/71/1049714671.db2.gz FLOCYGCPFIZUGS-JXFKEZNVSA-N 2 2 314.448 4.096 20 0 DIADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001206352640 1049719052 /nfs/dbraw/zinc/71/90/52/1049719052.db2.gz ZMSFYAPWBDYNQJ-INIZCTEOSA-N 2 2 324.490 4.130 20 0 DIADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001206352640 1049719059 /nfs/dbraw/zinc/71/90/59/1049719059.db2.gz ZMSFYAPWBDYNQJ-INIZCTEOSA-N 2 2 324.490 4.130 20 0 DIADLP C[C@H]1CC[C@@](C)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC001206605514 1049767030 /nfs/dbraw/zinc/76/70/30/1049767030.db2.gz RSVZVSWKXXIQGS-JXFKEZNVSA-N 2 2 315.505 4.102 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001206648527 1049775658 /nfs/dbraw/zinc/77/56/58/1049775658.db2.gz ZGRSSQZYOFCTJQ-IRXDYDNUSA-N 2 2 308.897 4.124 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001206648527 1049775664 /nfs/dbraw/zinc/77/56/64/1049775664.db2.gz ZGRSSQZYOFCTJQ-IRXDYDNUSA-N 2 2 308.897 4.124 20 0 DIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000490324258 1049823621 /nfs/dbraw/zinc/82/36/21/1049823621.db2.gz VJXUZEGLIZKAQF-OCCSQVGLSA-N 2 2 323.362 4.369 20 0 DIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000490324258 1049823637 /nfs/dbraw/zinc/82/36/37/1049823637.db2.gz VJXUZEGLIZKAQF-OCCSQVGLSA-N 2 2 323.362 4.369 20 0 DIADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423106 1049827775 /nfs/dbraw/zinc/82/77/75/1049827775.db2.gz NDXWEGYDDKBITA-OXJNMPFZSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423106 1049827789 /nfs/dbraw/zinc/82/77/89/1049827789.db2.gz NDXWEGYDDKBITA-OXJNMPFZSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423106 1049827801 /nfs/dbraw/zinc/82/78/01/1049827801.db2.gz NDXWEGYDDKBITA-OXJNMPFZSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423106 1049827815 /nfs/dbraw/zinc/82/78/15/1049827815.db2.gz NDXWEGYDDKBITA-OXJNMPFZSA-N 2 2 312.457 4.073 20 0 DIADLP c1cn(C[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c2ccccc2)c[nH+]1 ZINC001207293531 1049876108 /nfs/dbraw/zinc/87/61/08/1049876108.db2.gz IOIBTBZPXRIPMX-HBMCJLEFSA-N 2 2 317.436 4.018 20 0 DIADLP c1cc(OC2CC[NH+](CCCC3CCCCC3)CC2)cc[nH+]1 ZINC001207606980 1049917063 /nfs/dbraw/zinc/91/70/63/1049917063.db2.gz BQPIVUTVAHWEMQ-UHFFFAOYSA-N 2 2 302.462 4.285 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001207937593 1049961925 /nfs/dbraw/zinc/96/19/25/1049961925.db2.gz LFFDIFJAABIQDV-HBMCJLEFSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001207937593 1049961932 /nfs/dbraw/zinc/96/19/32/1049961932.db2.gz LFFDIFJAABIQDV-HBMCJLEFSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001207937593 1049961938 /nfs/dbraw/zinc/96/19/38/1049961938.db2.gz LFFDIFJAABIQDV-HBMCJLEFSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001207937593 1049961942 /nfs/dbraw/zinc/96/19/42/1049961942.db2.gz LFFDIFJAABIQDV-HBMCJLEFSA-N 2 2 316.533 4.485 20 0 DIADLP Cc1ccc([C@H](C)CC[N@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001208159266 1049978517 /nfs/dbraw/zinc/97/85/17/1049978517.db2.gz BJBXFUDJMGUXCW-MRXNPFEDSA-N 2 2 318.505 4.420 20 0 DIADLP Cc1ccc([C@H](C)CC[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001208159266 1049978522 /nfs/dbraw/zinc/97/85/22/1049978522.db2.gz BJBXFUDJMGUXCW-MRXNPFEDSA-N 2 2 318.505 4.420 20 0 DIADLP CC[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CCC1 ZINC000824066091 1050182303 /nfs/dbraw/zinc/18/23/03/1050182303.db2.gz NAXCPMJOMXFOPZ-FQEVSTJZSA-N 2 2 315.505 4.208 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000770739427 1050189918 /nfs/dbraw/zinc/18/99/18/1050189918.db2.gz ATUIAIXQCBZPBI-VQTJNVASSA-N 2 2 317.436 4.298 20 0 DIADLP Cc1cc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000716220768 1050197987 /nfs/dbraw/zinc/19/79/87/1050197987.db2.gz LJCUREVTVLMOPE-UHFFFAOYSA-N 2 2 317.436 4.087 20 0 DIADLP CCC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccsc1 ZINC000785563597 1050394020 /nfs/dbraw/zinc/39/40/20/1050394020.db2.gz OCHBXPRIZIGFBV-HOTGVXAUSA-N 2 2 305.491 4.490 20 0 DIADLP Cc1ccc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)[nH+]c1 ZINC001211013323 1050446337 /nfs/dbraw/zinc/44/63/37/1050446337.db2.gz CJWCKMORNQTWDC-FQEVSTJZSA-N 2 2 321.468 4.477 20 0 DIADLP CCc1cccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC001144323850 1050541245 /nfs/dbraw/zinc/54/12/45/1050541245.db2.gz QUAAADSERJDOSS-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP CCc1cccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001144323850 1050541257 /nfs/dbraw/zinc/54/12/57/1050541257.db2.gz QUAAADSERJDOSS-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787284704 1050582564 /nfs/dbraw/zinc/58/25/64/1050582564.db2.gz KQWOAUXHQMGKTP-VQIMIIECSA-N 2 2 317.436 4.253 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC001213501272 1050674020 /nfs/dbraw/zinc/67/40/20/1050674020.db2.gz QDZMQXMSGMIQQX-IBGZPJMESA-N 2 2 323.440 4.396 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3cc[nH]c32)C2CCCC2)CC1 ZINC001144721191 1050684091 /nfs/dbraw/zinc/68/40/91/1050684091.db2.gz BBTLCCFELDSZRQ-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3cc[nH]c32)C2CCCC2)CC1 ZINC001144721191 1050684094 /nfs/dbraw/zinc/68/40/94/1050684094.db2.gz BBTLCCFELDSZRQ-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000846190297 1050693156 /nfs/dbraw/zinc/69/31/56/1050693156.db2.gz PMOZJCZWZGQWJE-XKQJLSEDSA-N 2 2 321.827 4.228 20 0 DIADLP CCOc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742391101 1050830011 /nfs/dbraw/zinc/83/00/11/1050830011.db2.gz DCWBNHLZWVNXLA-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)s1 ZINC000037156423 1051113372 /nfs/dbraw/zinc/11/33/72/1051113372.db2.gz XYDFHFAKFAOWNR-AAEUAGOBSA-N 2 2 311.882 4.364 20 0 DIADLP CC(C)[N@H+]([C@@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170293911 1051178096 /nfs/dbraw/zinc/17/80/96/1051178096.db2.gz NLEHIIOBCGNWLM-HNNXBMFYSA-N 2 2 308.897 4.076 20 0 DIADLP CC(C)[N@@H+]([C@@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170293911 1051178099 /nfs/dbraw/zinc/17/80/99/1051178099.db2.gz NLEHIIOBCGNWLM-HNNXBMFYSA-N 2 2 308.897 4.076 20 0 DIADLP Cc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(F)c1F ZINC001171622125 1051179791 /nfs/dbraw/zinc/17/97/91/1051179791.db2.gz UWUBATAYJPHXPW-UHFFFAOYSA-N 2 2 310.432 4.014 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+]CC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001171658968 1051185190 /nfs/dbraw/zinc/18/51/90/1051185190.db2.gz WEVKWXRTEMLUBJ-LJQANCHMSA-N 2 2 322.496 4.038 20 0 DIADLP Cc1ccc(CC[C@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001171681472 1051194444 /nfs/dbraw/zinc/19/44/44/1051194444.db2.gz JCXQAZPYXYEEFJ-SFHVURJKSA-N 2 2 302.506 4.121 20 0 DIADLP Cc1ccc(CC[C@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001171681472 1051194449 /nfs/dbraw/zinc/19/44/49/1051194449.db2.gz JCXQAZPYXYEEFJ-SFHVURJKSA-N 2 2 302.506 4.121 20 0 DIADLP C[NH+]1C(C)(C)CC([N@@H+]2CCCC3(CC(F)C3)CC2)CC1(C)C ZINC001171642546 1051197409 /nfs/dbraw/zinc/19/74/09/1051197409.db2.gz KUWROVPEPSOOKT-UHFFFAOYSA-N 2 2 310.501 4.242 20 0 DIADLP C[NH+]1C(C)(C)CC([N@H+]2CCCC3(CC(F)C3)CC2)CC1(C)C ZINC001171642546 1051197417 /nfs/dbraw/zinc/19/74/17/1051197417.db2.gz KUWROVPEPSOOKT-UHFFFAOYSA-N 2 2 310.501 4.242 20 0 DIADLP C[N@H+](Cc1ccc(F)cc1F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641411 1051197832 /nfs/dbraw/zinc/19/78/32/1051197832.db2.gz GOFCUGBLEWSLAA-UHFFFAOYSA-N 2 2 310.432 4.048 20 0 DIADLP C[N@@H+](Cc1ccc(F)cc1F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641411 1051197838 /nfs/dbraw/zinc/19/78/38/1051197838.db2.gz GOFCUGBLEWSLAA-UHFFFAOYSA-N 2 2 310.432 4.048 20 0 DIADLP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327230 1051247850 /nfs/dbraw/zinc/24/78/50/1051247850.db2.gz VKXKVXRLQDKAGU-GJZGRUSLSA-N 2 2 311.454 4.216 20 0 DIADLP CC1(C)C[C@@H]([NH+]2CCCCC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171988779 1051257023 /nfs/dbraw/zinc/25/70/23/1051257023.db2.gz UZEIBEKBZNDYRT-IBGZPJMESA-N 2 2 312.501 4.448 20 0 DIADLP CC1(C)C[C@@H]([NH+]2CCCCC23CC3)CC[N@H+]1Cc1ccccc1 ZINC001171988779 1051257036 /nfs/dbraw/zinc/25/70/36/1051257036.db2.gz UZEIBEKBZNDYRT-IBGZPJMESA-N 2 2 312.501 4.448 20 0 DIADLP CC1(C)C[C@@H]([N@@H+]2CCCCC23CC3)CC[NH+]1Cc1ccccc1 ZINC001171988779 1051257053 /nfs/dbraw/zinc/25/70/53/1051257053.db2.gz UZEIBEKBZNDYRT-IBGZPJMESA-N 2 2 312.501 4.448 20 0 DIADLP CC1(C)C[C@@H]([N@H+]2CCCCC23CC3)CC[NH+]1Cc1ccccc1 ZINC001171988779 1051257066 /nfs/dbraw/zinc/25/70/66/1051257066.db2.gz UZEIBEKBZNDYRT-IBGZPJMESA-N 2 2 312.501 4.448 20 0 DIADLP CC1(C)C[C@H]([NH+]2CCc3occc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171986345 1051271178 /nfs/dbraw/zinc/27/11/78/1051271178.db2.gz HPAZQDCETHYLNR-LJQANCHMSA-N 2 2 324.468 4.081 20 0 DIADLP CC1(C)C[C@H]([NH+]2CCc3occc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171986345 1051271191 /nfs/dbraw/zinc/27/11/91/1051271191.db2.gz HPAZQDCETHYLNR-LJQANCHMSA-N 2 2 324.468 4.081 20 0 DIADLP CC1(C)C[C@H]([N@@H+]2CCc3occc3C2)CC[NH+]1Cc1ccccc1 ZINC001171986345 1051271204 /nfs/dbraw/zinc/27/12/04/1051271204.db2.gz HPAZQDCETHYLNR-LJQANCHMSA-N 2 2 324.468 4.081 20 0 DIADLP CC1(C)C[C@H]([N@H+]2CCc3occc3C2)CC[NH+]1Cc1ccccc1 ZINC001171986345 1051271214 /nfs/dbraw/zinc/27/12/14/1051271214.db2.gz HPAZQDCETHYLNR-LJQANCHMSA-N 2 2 324.468 4.081 20 0 DIADLP CC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001172393271 1051394885 /nfs/dbraw/zinc/39/48/85/1051394885.db2.gz JQJZPSRHKHPEHF-SFHVURJKSA-N 2 2 318.505 4.074 20 0 DIADLP CC[C@@H](CC(C)C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172395194 1051396894 /nfs/dbraw/zinc/39/68/94/1051396894.db2.gz CNOCQQZCIJDUBB-IBGZPJMESA-N 2 2 302.506 4.408 20 0 DIADLP CC[C@@H](CC(C)C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172395194 1051396901 /nfs/dbraw/zinc/39/69/01/1051396901.db2.gz CNOCQQZCIJDUBB-IBGZPJMESA-N 2 2 302.506 4.408 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccnc1Cl ZINC000766409886 1051417268 /nfs/dbraw/zinc/41/72/68/1051417268.db2.gz VXQIPUJMRJZNEG-AWEZNQCLSA-N 2 2 321.896 4.183 20 0 DIADLP CCCCCC[C@H](CCCC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172518436 1051430073 /nfs/dbraw/zinc/43/00/73/1051430073.db2.gz YBVXZBKHFFHYAM-OALUTQOASA-N 2 2 324.553 4.359 20 0 DIADLP CCCCCC[C@H](CCCC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172518436 1051430081 /nfs/dbraw/zinc/43/00/81/1051430081.db2.gz YBVXZBKHFFHYAM-OALUTQOASA-N 2 2 324.553 4.359 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001172537345 1051452392 /nfs/dbraw/zinc/45/23/92/1051452392.db2.gz OVJPHKLLNTYLNA-VAMGGRTRSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC001172537345 1051452401 /nfs/dbraw/zinc/45/24/01/1051452401.db2.gz OVJPHKLLNTYLNA-VAMGGRTRSA-N 2 2 312.501 4.319 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078746 1051513882 /nfs/dbraw/zinc/51/38/82/1051513882.db2.gz FWAUUHZJKQJTTQ-DOERSZECSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078746 1051513894 /nfs/dbraw/zinc/51/38/94/1051513894.db2.gz FWAUUHZJKQJTTQ-DOERSZECSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078747 1051514764 /nfs/dbraw/zinc/51/47/64/1051514764.db2.gz FWAUUHZJKQJTTQ-RUZUBIRVSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078747 1051514773 /nfs/dbraw/zinc/51/47/73/1051514773.db2.gz FWAUUHZJKQJTTQ-RUZUBIRVSA-N 2 2 313.272 4.269 20 0 DIADLP COc1ccc([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169141589 1051532498 /nfs/dbraw/zinc/53/24/98/1051532498.db2.gz CKPHCWQSRPTISB-BFUOFWGJSA-N 2 2 315.461 4.132 20 0 DIADLP CC(C)(C)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc[nH+]1 ZINC001212694016 1051582389 /nfs/dbraw/zinc/58/23/89/1051582389.db2.gz FMZZCSXIYNTTIL-UHFFFAOYSA-N 2 2 306.413 4.368 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000178757602 1051588428 /nfs/dbraw/zinc/58/84/28/1051588428.db2.gz KZGSWXZCXOOZSW-ABSDTBQOSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000178757602 1051588441 /nfs/dbraw/zinc/58/84/41/1051588441.db2.gz KZGSWXZCXOOZSW-ABSDTBQOSA-N 2 2 324.468 4.096 20 0 DIADLP CCCOC1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001173100382 1051605624 /nfs/dbraw/zinc/60/56/24/1051605624.db2.gz DNPGRKFJMUENOP-UHFFFAOYSA-N 2 2 322.537 4.063 20 0 DIADLP CCCOC1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001173100382 1051605627 /nfs/dbraw/zinc/60/56/27/1051605627.db2.gz DNPGRKFJMUENOP-UHFFFAOYSA-N 2 2 322.537 4.063 20 0 DIADLP C[NH2+]Cc1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1F ZINC001216222201 1051631976 /nfs/dbraw/zinc/63/19/76/1051631976.db2.gz XAHQLEHHUFIKIB-UHFFFAOYSA-N 2 2 315.779 4.490 20 0 DIADLP CCCC[C@@H](CC(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001173253182 1051654946 /nfs/dbraw/zinc/65/49/46/1051654946.db2.gz NWQHAJKDSHATNP-SFHVURJKSA-N 2 2 303.494 4.245 20 0 DIADLP CCCC[C@@H](CC(C)C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001173260248 1051660302 /nfs/dbraw/zinc/66/03/02/1051660302.db2.gz PLKAWJRGQKFPBG-SFHVURJKSA-N 2 2 303.494 4.245 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(OCC2CC2)cc[nH+]1 ZINC001169695583 1051675091 /nfs/dbraw/zinc/67/50/91/1051675091.db2.gz HGVLYOYAVZZVEM-SFHVURJKSA-N 2 2 323.440 4.111 20 0 DIADLP CC[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296529 1051677067 /nfs/dbraw/zinc/67/70/67/1051677067.db2.gz UUSOJVBEXADKNK-APWZRJJASA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296529 1051677074 /nfs/dbraw/zinc/67/70/74/1051677074.db2.gz UUSOJVBEXADKNK-APWZRJJASA-N 2 2 318.480 4.301 20 0 DIADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(C)o1 ZINC000767392733 1051802293 /nfs/dbraw/zinc/80/22/93/1051802293.db2.gz PLJRPLGYBQZFNF-HXUWFJFHSA-N 2 2 323.440 4.241 20 0 DIADLP c1c[nH+]c(C2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)[nH]1 ZINC000769190623 1052000374 /nfs/dbraw/zinc/00/03/74/1052000374.db2.gz YACOEXMUGLTZKM-UHFFFAOYSA-N 2 2 317.436 4.456 20 0 DIADLP c1cn(-c2csc(C[NH2+]Cc3ccc(C4CCC4)cc3)c2)c[nH+]1 ZINC000494851692 1052152233 /nfs/dbraw/zinc/15/22/33/1052152233.db2.gz SHDXCFDBIFSBON-UHFFFAOYSA-N 2 2 323.465 4.491 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000494953803 1052181835 /nfs/dbraw/zinc/18/18/35/1052181835.db2.gz JXVMASFEKLFONN-ZBFHGGJFSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000494953803 1052181841 /nfs/dbraw/zinc/18/18/41/1052181841.db2.gz JXVMASFEKLFONN-ZBFHGGJFSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000494953803 1052181846 /nfs/dbraw/zinc/18/18/46/1052181846.db2.gz JXVMASFEKLFONN-ZBFHGGJFSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000494953803 1052181852 /nfs/dbraw/zinc/18/18/52/1052181852.db2.gz JXVMASFEKLFONN-ZBFHGGJFSA-N 2 2 324.896 4.043 20 0 DIADLP Cc1ccc2cc([C@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc2c1 ZINC000495259990 1052277527 /nfs/dbraw/zinc/27/75/27/1052277527.db2.gz OZNCWCJUMZHXFR-HNNXBMFYSA-N 2 2 323.440 4.167 20 0 DIADLP c1ccc([C@H](C[NH2+]C2CC(c3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000236661594 1052429294 /nfs/dbraw/zinc/42/92/94/1052429294.db2.gz GZZKYRUCWVMIGU-HRTMPFAESA-N 2 2 320.480 4.359 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000237464837 1052442124 /nfs/dbraw/zinc/44/21/24/1052442124.db2.gz ARZANQHRJFCEJI-DNVCBOLYSA-N 2 2 316.489 4.147 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154178 1052451875 /nfs/dbraw/zinc/45/18/75/1052451875.db2.gz HPLCOOPBLUIFOK-SFHVURJKSA-N 2 2 306.881 4.039 20 0 DIADLP CC(C)c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154178 1052451879 /nfs/dbraw/zinc/45/18/79/1052451879.db2.gz HPLCOOPBLUIFOK-SFHVURJKSA-N 2 2 306.881 4.039 20 0 DIADLP c1ccc(Oc2cccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2)cc1 ZINC001222238010 1052467151 /nfs/dbraw/zinc/46/71/51/1052467151.db2.gz YGBRHWBXMWHZJK-OAQYLSRUSA-N 2 2 322.452 4.197 20 0 DIADLP c1ccc(Oc2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2)cc1 ZINC001222238010 1052467155 /nfs/dbraw/zinc/46/71/55/1052467155.db2.gz YGBRHWBXMWHZJK-OAQYLSRUSA-N 2 2 322.452 4.197 20 0 DIADLP Cc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c(C)c1Cl ZINC001222304181 1052477699 /nfs/dbraw/zinc/47/76/99/1052477699.db2.gz ZFLVBXMAKIREFL-UHFFFAOYSA-N 2 2 306.881 4.065 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222354846 1052489460 /nfs/dbraw/zinc/48/94/60/1052489460.db2.gz OEPDSRYAGZCGFL-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccccc2C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222354846 1052489463 /nfs/dbraw/zinc/48/94/63/1052489463.db2.gz OEPDSRYAGZCGFL-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270900 1052546792 /nfs/dbraw/zinc/54/67/92/1052546792.db2.gz GKDIJVQXEJMYJL-JKSUJKDBSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270900 1052546795 /nfs/dbraw/zinc/54/67/95/1052546795.db2.gz GKDIJVQXEJMYJL-JKSUJKDBSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038311 1052563167 /nfs/dbraw/zinc/56/31/67/1052563167.db2.gz VLWXCOUKOJNTML-UTKZUKDTSA-N 2 2 324.468 4.098 20 0 DIADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038311 1052563175 /nfs/dbraw/zinc/56/31/75/1052563175.db2.gz VLWXCOUKOJNTML-UTKZUKDTSA-N 2 2 324.468 4.098 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156025 1052607036 /nfs/dbraw/zinc/60/70/36/1052607036.db2.gz MNZWDBBDTUGMPQ-BBRMVZONSA-N 2 2 305.491 4.327 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000037256117 1052618748 /nfs/dbraw/zinc/61/87/48/1052618748.db2.gz BUVMNLVHHDCUBY-SECBINFHSA-N 2 2 321.679 4.392 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000763395286 1052623409 /nfs/dbraw/zinc/62/34/09/1052623409.db2.gz LWEDJHIUZGWYAW-SJORKVTESA-N 2 2 317.864 4.228 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129624457 1052798641 /nfs/dbraw/zinc/79/86/41/1052798641.db2.gz NMYBCUXBSCIRSZ-NTZNESFSSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129624457 1052798646 /nfs/dbraw/zinc/79/86/46/1052798646.db2.gz NMYBCUXBSCIRSZ-NTZNESFSSA-N 2 2 301.261 4.127 20 0 DIADLP C[N@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219912 1052882848 /nfs/dbraw/zinc/88/28/48/1052882848.db2.gz YIULKQZYFPXJFJ-CHWSQXEVSA-N 2 2 321.679 4.349 20 0 DIADLP C[N@@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219912 1052882854 /nfs/dbraw/zinc/88/28/54/1052882854.db2.gz YIULKQZYFPXJFJ-CHWSQXEVSA-N 2 2 321.679 4.349 20 0 DIADLP CC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCC1 ZINC000322493142 1052900351 /nfs/dbraw/zinc/90/03/51/1052900351.db2.gz ZAMZEGIEIAWDGW-IBGZPJMESA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCC1 ZINC000322493142 1052900353 /nfs/dbraw/zinc/90/03/53/1052900353.db2.gz ZAMZEGIEIAWDGW-IBGZPJMESA-N 2 2 300.490 4.209 20 0 DIADLP CCCCCC[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318703680 1053185023 /nfs/dbraw/zinc/18/50/23/1053185023.db2.gz RGSLTLYMVURRRR-AWEZNQCLSA-N 2 2 314.433 4.121 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252211153 1053260950 /nfs/dbraw/zinc/26/09/50/1053260950.db2.gz WJIHNTYPMPQYHR-KZNAEPCWSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252211153 1053260959 /nfs/dbraw/zinc/26/09/59/1053260959.db2.gz WJIHNTYPMPQYHR-KZNAEPCWSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252211153 1053260966 /nfs/dbraw/zinc/26/09/66/1053260966.db2.gz WJIHNTYPMPQYHR-KZNAEPCWSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252211153 1053260977 /nfs/dbraw/zinc/26/09/77/1053260977.db2.gz WJIHNTYPMPQYHR-KZNAEPCWSA-N 2 2 318.480 4.473 20 0 DIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000252439329 1053266722 /nfs/dbraw/zinc/26/67/22/1053266722.db2.gz NEFRTTQGSWXNHR-MNOVXSKESA-N 2 2 319.251 4.125 20 0 DIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000252439329 1053266735 /nfs/dbraw/zinc/26/67/35/1053266735.db2.gz NEFRTTQGSWXNHR-MNOVXSKESA-N 2 2 319.251 4.125 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154547453 1053740093 /nfs/dbraw/zinc/74/00/93/1053740093.db2.gz GDWHENOSMGIDIA-QFBILLFUSA-N 2 2 324.468 4.107 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154547453 1053740104 /nfs/dbraw/zinc/74/01/04/1053740104.db2.gz GDWHENOSMGIDIA-QFBILLFUSA-N 2 2 324.468 4.107 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001231423687 1053746003 /nfs/dbraw/zinc/74/60/03/1053746003.db2.gz GFKYWCUKDXDHPA-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001231423687 1053746013 /nfs/dbraw/zinc/74/60/13/1053746013.db2.gz GFKYWCUKDXDHPA-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1C ZINC001231485213 1053764740 /nfs/dbraw/zinc/76/47/40/1053764740.db2.gz DKBCXHWIEUPMAV-UHFFFAOYSA-N 2 2 314.517 4.451 20 0 DIADLP Cc1cc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1C ZINC001231485213 1053764748 /nfs/dbraw/zinc/76/47/48/1053764748.db2.gz DKBCXHWIEUPMAV-UHFFFAOYSA-N 2 2 314.517 4.451 20 0 DIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccncc1 ZINC000156683723 1053821986 /nfs/dbraw/zinc/82/19/86/1053821986.db2.gz YPCQQEOUCFTUKP-QZTJIDSGSA-N 2 2 323.484 4.396 20 0 DIADLP CSc1ccccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001231788523 1053860715 /nfs/dbraw/zinc/86/07/15/1053860715.db2.gz ZONUFUZTOZDURQ-UHFFFAOYSA-N 2 2 318.530 4.247 20 0 DIADLP CSc1ccccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001231788523 1053860730 /nfs/dbraw/zinc/86/07/30/1053860730.db2.gz ZONUFUZTOZDURQ-UHFFFAOYSA-N 2 2 318.530 4.247 20 0 DIADLP CCC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000158514145 1053905988 /nfs/dbraw/zinc/90/59/88/1053905988.db2.gz RXQYYSQUPICGAL-IBGZPJMESA-N 2 2 311.473 4.035 20 0 DIADLP CCC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000158514145 1053906002 /nfs/dbraw/zinc/90/60/02/1053906002.db2.gz RXQYYSQUPICGAL-IBGZPJMESA-N 2 2 311.473 4.035 20 0 DIADLP Fc1cccc(F)c1[C@@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017106 1053943132 /nfs/dbraw/zinc/94/31/32/1053943132.db2.gz LKBNPAIMCFPUBM-KRWDZBQOSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017106 1053943145 /nfs/dbraw/zinc/94/31/45/1053943145.db2.gz LKBNPAIMCFPUBM-KRWDZBQOSA-N 2 2 313.351 4.178 20 0 DIADLP CCCCC[C@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001329698268 1054004350 /nfs/dbraw/zinc/00/43/50/1054004350.db2.gz MTVLTXGHSCSPEW-AWEZNQCLSA-N 2 2 314.433 4.121 20 0 DIADLP CC[NH+](CC)CC1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC001329666591 1054004444 /nfs/dbraw/zinc/00/44/44/1054004444.db2.gz RBGULIHELQAQCP-UHFFFAOYSA-N 2 2 311.473 4.101 20 0 DIADLP COc1ccc2cc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3)ccc2c1 ZINC000324443764 1054062584 /nfs/dbraw/zinc/06/25/84/1054062584.db2.gz DWMMUZLRENRGAV-MRXNPFEDSA-N 2 2 323.440 4.176 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccco1 ZINC000164991345 1054067252 /nfs/dbraw/zinc/06/72/52/1054067252.db2.gz MFQHDDWFCPFCJE-VBQJREDUSA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccco1 ZINC000164991345 1054067261 /nfs/dbraw/zinc/06/72/61/1054067261.db2.gz MFQHDDWFCPFCJE-VBQJREDUSA-N 2 2 304.459 4.075 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1Cl ZINC000296050801 1054085852 /nfs/dbraw/zinc/08/58/52/1054085852.db2.gz VCGTYHUEDVLBQQ-ODWCKFRGSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1Cl ZINC000296050801 1054085866 /nfs/dbraw/zinc/08/58/66/1054085866.db2.gz VCGTYHUEDVLBQQ-ODWCKFRGSA-N 2 2 313.272 4.269 20 0 DIADLP Cc1cccc(-c2ccc(C[N@@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC001233224042 1054207049 /nfs/dbraw/zinc/20/70/49/1054207049.db2.gz YCTTVXWVYBUWHF-UHFFFAOYSA-N 2 2 308.469 4.188 20 0 DIADLP Cc1cccc(-c2ccc(C[N@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC001233224042 1054207057 /nfs/dbraw/zinc/20/70/57/1054207057.db2.gz YCTTVXWVYBUWHF-UHFFFAOYSA-N 2 2 308.469 4.188 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651635 1054512149 /nfs/dbraw/zinc/51/21/49/1054512149.db2.gz YCLZTRNTBNAXKZ-VCBZYWHSSA-N 2 2 321.424 4.440 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651668 1054512699 /nfs/dbraw/zinc/51/26/99/1054512699.db2.gz YCLZTRNTBNAXKZ-YZVOILCLSA-N 2 2 321.424 4.440 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)[nH+]1 ZINC001347792901 1054584820 /nfs/dbraw/zinc/58/48/20/1054584820.db2.gz FGLHEYNOWSDHNM-KRWDZBQOSA-N 2 2 315.848 4.120 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)[nH+]1 ZINC001347792901 1054584835 /nfs/dbraw/zinc/58/48/35/1054584835.db2.gz FGLHEYNOWSDHNM-KRWDZBQOSA-N 2 2 315.848 4.120 20 0 DIADLP Cc1cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)ccn1 ZINC000623427491 1054591529 /nfs/dbraw/zinc/59/15/29/1054591529.db2.gz BDBZIFHISJUNNX-GOSISDBHSA-N 2 2 323.484 4.143 20 0 DIADLP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000178118194 1054644641 /nfs/dbraw/zinc/64/46/41/1054644641.db2.gz UZGXPUJUKOHBBY-IBGZPJMESA-N 2 2 314.860 4.113 20 0 DIADLP CC(C)(C[N@@H+]1CCC[C@]12CC[NH2+]C2)Sc1ccc(Cl)cc1 ZINC001235110098 1054659304 /nfs/dbraw/zinc/65/93/04/1054659304.db2.gz IMSJIYRDTPTONL-QGZVFWFLSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)(C[N@H+]1CCC[C@]12CC[NH2+]C2)Sc1ccc(Cl)cc1 ZINC001235110098 1054659311 /nfs/dbraw/zinc/65/93/11/1054659311.db2.gz IMSJIYRDTPTONL-QGZVFWFLSA-N 2 2 324.921 4.039 20 0 DIADLP Cc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1Cl ZINC001235143905 1054665032 /nfs/dbraw/zinc/66/50/32/1054665032.db2.gz GHSNGNHCWBTNKV-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP Cc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1Cl ZINC001235143905 1054665028 /nfs/dbraw/zinc/66/50/28/1054665028.db2.gz GHSNGNHCWBTNKV-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccsc3)cs2)CC1 ZINC001235187012 1054677691 /nfs/dbraw/zinc/67/76/91/1054677691.db2.gz TWMIMMRVWYOJRM-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccsc3)cs2)CC1 ZINC001235187012 1054677700 /nfs/dbraw/zinc/67/77/00/1054677700.db2.gz TWMIMMRVWYOJRM-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000179906091 1054713019 /nfs/dbraw/zinc/71/30/19/1054713019.db2.gz MLQWHLCZGIRVPY-RHSMWYFYSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000179906091 1054713037 /nfs/dbraw/zinc/71/30/37/1054713037.db2.gz MLQWHLCZGIRVPY-RHSMWYFYSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906091 1054713056 /nfs/dbraw/zinc/71/30/56/1054713056.db2.gz MLQWHLCZGIRVPY-RHSMWYFYSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906091 1054713075 /nfs/dbraw/zinc/71/30/75/1054713075.db2.gz MLQWHLCZGIRVPY-RHSMWYFYSA-N 2 2 316.420 4.000 20 0 DIADLP C[N@H+](CCn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001473431559 1054722083 /nfs/dbraw/zinc/72/20/83/1054722083.db2.gz GLIIKBXUDQHXTO-GOSISDBHSA-N 2 2 317.864 4.400 20 0 DIADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001473431559 1054722097 /nfs/dbraw/zinc/72/20/97/1054722097.db2.gz GLIIKBXUDQHXTO-GOSISDBHSA-N 2 2 317.864 4.400 20 0 DIADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001235540836 1054740951 /nfs/dbraw/zinc/74/09/51/1054740951.db2.gz PWWMKZXWWOPGAY-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001235540836 1054740964 /nfs/dbraw/zinc/74/09/64/1054740964.db2.gz PWWMKZXWWOPGAY-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001235724081 1054790340 /nfs/dbraw/zinc/79/03/40/1054790340.db2.gz GOYCVSSKGFCLMU-UHFFFAOYSA-N 2 2 310.441 4.053 20 0 DIADLP C[N@H+](Cc1cccc(C[NH3+])c1)Cc1c(Cl)cccc1Cl ZINC001235793569 1054807685 /nfs/dbraw/zinc/80/76/85/1054807685.db2.gz YTSHZOXYGSBQSO-UHFFFAOYSA-N 2 2 309.240 4.084 20 0 DIADLP C[N@@H+](Cc1cccc(C[NH3+])c1)Cc1c(Cl)cccc1Cl ZINC001235793569 1054807692 /nfs/dbraw/zinc/80/76/92/1054807692.db2.gz YTSHZOXYGSBQSO-UHFFFAOYSA-N 2 2 309.240 4.084 20 0 DIADLP c1ccc(C(c2ccccc2)[C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001235865462 1054825184 /nfs/dbraw/zinc/82/51/84/1054825184.db2.gz BRJBRZRLKGXJEF-NHCUHLMSSA-N 2 2 320.480 4.035 20 0 DIADLP c1ccc(C(c2ccccc2)[C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001235865462 1054825196 /nfs/dbraw/zinc/82/51/96/1054825196.db2.gz BRJBRZRLKGXJEF-NHCUHLMSSA-N 2 2 320.480 4.035 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235891982 1054832774 /nfs/dbraw/zinc/83/27/74/1054832774.db2.gz JDYHUVBQTUWNEV-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)cc1 ZINC001235891982 1054832783 /nfs/dbraw/zinc/83/27/83/1054832783.db2.gz JDYHUVBQTUWNEV-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235891984 1054833046 /nfs/dbraw/zinc/83/30/46/1054833046.db2.gz JDYHUVBQTUWNEV-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235891984 1054833061 /nfs/dbraw/zinc/83/30/61/1054833061.db2.gz JDYHUVBQTUWNEV-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP CC[N@H+](Cc1cccc2c3ccccc3sc21)[C@H]1CC[NH2+]C1 ZINC001235971529 1054876799 /nfs/dbraw/zinc/87/67/99/1054876799.db2.gz YMTOIJXUOQZMOF-HNNXBMFYSA-N 2 2 310.466 4.238 20 0 DIADLP CC[N@@H+](Cc1cccc2c3ccccc3sc21)[C@H]1CC[NH2+]C1 ZINC001235971529 1054876814 /nfs/dbraw/zinc/87/68/14/1054876814.db2.gz YMTOIJXUOQZMOF-HNNXBMFYSA-N 2 2 310.466 4.238 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)C1 ZINC001235966509 1054877187 /nfs/dbraw/zinc/87/71/87/1054877187.db2.gz MEBXISSQUQDPKG-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)C1 ZINC001235966509 1054877197 /nfs/dbraw/zinc/87/71/97/1054877197.db2.gz MEBXISSQUQDPKG-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3Cl)c2)C1 ZINC001235966078 1054877477 /nfs/dbraw/zinc/87/74/77/1054877477.db2.gz HNCDWXDYNYCVKP-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3Cl)c2)C1 ZINC001235966078 1054877479 /nfs/dbraw/zinc/87/74/79/1054877479.db2.gz HNCDWXDYNYCVKP-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181069251 1054899568 /nfs/dbraw/zinc/89/95/68/1054899568.db2.gz DFRVUEHKRFEGCD-LBPRGKRZSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181069251 1054899586 /nfs/dbraw/zinc/89/95/86/1054899586.db2.gz DFRVUEHKRFEGCD-LBPRGKRZSA-N 2 2 312.244 4.273 20 0 DIADLP CSc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])c1ccccc1 ZINC001236108159 1054951586 /nfs/dbraw/zinc/95/15/86/1054951586.db2.gz JHYHYOIHXKMGNU-QZTJIDSGSA-N 2 2 312.482 4.245 20 0 DIADLP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]([NH3+])c1ccccc1 ZINC001236108159 1054951603 /nfs/dbraw/zinc/95/16/03/1054951603.db2.gz JHYHYOIHXKMGNU-QZTJIDSGSA-N 2 2 312.482 4.245 20 0 DIADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC001236144102 1054967536 /nfs/dbraw/zinc/96/75/36/1054967536.db2.gz PLZBNNWKODMJQU-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC001236144102 1054967554 /nfs/dbraw/zinc/96/75/54/1054967554.db2.gz PLZBNNWKODMJQU-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP C[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209285 1054999868 /nfs/dbraw/zinc/99/98/68/1054999868.db2.gz VVLYCIQRNVNASP-FQEVSTJZSA-N 2 2 308.425 4.160 20 0 DIADLP C[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209285 1054999881 /nfs/dbraw/zinc/99/98/81/1054999881.db2.gz VVLYCIQRNVNASP-FQEVSTJZSA-N 2 2 308.425 4.160 20 0 DIADLP Cc1csc2sc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c(C)c12 ZINC001236207067 1055000054 /nfs/dbraw/zinc/00/00/54/1055000054.db2.gz NVIPHGFEOOWIMA-MRXNPFEDSA-N 2 2 308.516 4.154 20 0 DIADLP Cc1csc2sc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c(C)c12 ZINC001236207067 1055000065 /nfs/dbraw/zinc/00/00/65/1055000065.db2.gz NVIPHGFEOOWIMA-MRXNPFEDSA-N 2 2 308.516 4.154 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214168 1055003155 /nfs/dbraw/zinc/00/31/55/1055003155.db2.gz CNKAYCKCYQANRO-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214168 1055003166 /nfs/dbraw/zinc/00/31/66/1055003166.db2.gz CNKAYCKCYQANRO-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccs2)s1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216972 1055004664 /nfs/dbraw/zinc/00/46/64/1055004664.db2.gz MIVHHYDFZVRCGV-KBPBESRZSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccs2)s1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216972 1055004678 /nfs/dbraw/zinc/00/46/78/1055004678.db2.gz MIVHHYDFZVRCGV-KBPBESRZSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@H+](Cc1cccc(SC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218933 1055008771 /nfs/dbraw/zinc/00/87/71/1055008771.db2.gz TWJVJEWYOKXAIJ-KGLIPLIRSA-N 2 2 318.408 4.000 20 0 DIADLP C[N@@H+](Cc1cccc(SC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218933 1055008784 /nfs/dbraw/zinc/00/87/84/1055008784.db2.gz TWJVJEWYOKXAIJ-KGLIPLIRSA-N 2 2 318.408 4.000 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219609 1055009484 /nfs/dbraw/zinc/00/94/84/1055009484.db2.gz WWGWLUZMHLTJKK-GJZGRUSLSA-N 2 2 301.261 4.004 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219609 1055009498 /nfs/dbraw/zinc/00/94/98/1055009498.db2.gz WWGWLUZMHLTJKK-GJZGRUSLSA-N 2 2 301.261 4.004 20 0 DIADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000182886820 1055015895 /nfs/dbraw/zinc/01/58/95/1055015895.db2.gz KXBSZGQUEGHKAV-UHFFFAOYSA-N 2 2 312.244 4.105 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236238819 1055026607 /nfs/dbraw/zinc/02/66/07/1055026607.db2.gz CSSVQDNHPRXYKH-HXUWFJFHSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236238819 1055026621 /nfs/dbraw/zinc/02/66/21/1055026621.db2.gz CSSVQDNHPRXYKH-HXUWFJFHSA-N 2 2 324.443 4.209 20 0 DIADLP c1ccc(-c2ccccc2C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236241597 1055027355 /nfs/dbraw/zinc/02/73/55/1055027355.db2.gz TVAXSMFYGKRXIF-HXUWFJFHSA-N 2 2 306.453 4.070 20 0 DIADLP c1ccc(-c2ccccc2C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236241597 1055027369 /nfs/dbraw/zinc/02/73/69/1055027369.db2.gz TVAXSMFYGKRXIF-HXUWFJFHSA-N 2 2 306.453 4.070 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2cc(C)cn3cc[nH+]c23)c1 ZINC001236327137 1055058532 /nfs/dbraw/zinc/05/85/32/1055058532.db2.gz XSQUUQKCISRQEZ-UHFFFAOYSA-N 2 2 311.404 4.291 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236421523 1055107935 /nfs/dbraw/zinc/10/79/35/1055107935.db2.gz JSFJRQKGEBVVNY-GOSISDBHSA-N 2 2 314.860 4.191 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236421523 1055107944 /nfs/dbraw/zinc/10/79/44/1055107944.db2.gz JSFJRQKGEBVVNY-GOSISDBHSA-N 2 2 314.860 4.191 20 0 DIADLP CC(C)(C)C[N@H+](Cc1ccsc1Cl)C1CC[NH2+]CC1 ZINC001236459432 1055127139 /nfs/dbraw/zinc/12/71/39/1055127139.db2.gz OEYJZMWUFNJFDX-UHFFFAOYSA-N 2 2 300.899 4.002 20 0 DIADLP CC(C)(C)C[N@@H+](Cc1ccsc1Cl)C1CC[NH2+]CC1 ZINC001236459432 1055127149 /nfs/dbraw/zinc/12/71/49/1055127149.db2.gz OEYJZMWUFNJFDX-UHFFFAOYSA-N 2 2 300.899 4.002 20 0 DIADLP CC(C)=CCC[C@H](C)C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478420 1055137284 /nfs/dbraw/zinc/13/72/84/1055137284.db2.gz IGGCGSQVMJUQFM-ICSRJNTNSA-N 2 2 315.505 4.018 20 0 DIADLP CC(C)=CCC[C@H](C)C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478420 1055137288 /nfs/dbraw/zinc/13/72/88/1055137288.db2.gz IGGCGSQVMJUQFM-ICSRJNTNSA-N 2 2 315.505 4.018 20 0 DIADLP c1csc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000125867856 1055168624 /nfs/dbraw/zinc/16/86/24/1055168624.db2.gz DJUXGOXAXGSYFN-GOSISDBHSA-N 2 2 309.438 4.175 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001236553975 1055182464 /nfs/dbraw/zinc/18/24/64/1055182464.db2.gz SWOPSFAMAFPZBU-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001236553975 1055182479 /nfs/dbraw/zinc/18/24/79/1055182479.db2.gz SWOPSFAMAFPZBU-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc2nc(C[N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)ccc2c1 ZINC001236653871 1055214600 /nfs/dbraw/zinc/21/46/00/1055214600.db2.gz SVJNQHDAMOYZID-HXUWFJFHSA-N 2 2 323.484 4.040 20 0 DIADLP Cc1ccc2nc(C[N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)ccc2c1 ZINC001236653871 1055214610 /nfs/dbraw/zinc/21/46/10/1055214610.db2.gz SVJNQHDAMOYZID-HXUWFJFHSA-N 2 2 323.484 4.040 20 0 DIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c(F)c(Cl)c1 ZINC001236662079 1055218893 /nfs/dbraw/zinc/21/88/93/1055218893.db2.gz NVOOMSZHAPFBSC-UHFFFAOYSA-N 2 2 319.251 4.050 20 0 DIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c(F)c(Cl)c1 ZINC001236662079 1055218897 /nfs/dbraw/zinc/21/88/97/1055218897.db2.gz NVOOMSZHAPFBSC-UHFFFAOYSA-N 2 2 319.251 4.050 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3occc32)C2CCCC2)CC1 ZINC001236741742 1055247585 /nfs/dbraw/zinc/24/75/85/1055247585.db2.gz AAEMZNXGTBUJKU-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3occc32)C2CCCC2)CC1 ZINC001236741742 1055247598 /nfs/dbraw/zinc/24/75/98/1055247598.db2.gz AAEMZNXGTBUJKU-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902920 1055306150 /nfs/dbraw/zinc/30/61/50/1055306150.db2.gz JZLCCPVXJDJSGM-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC001236894780 1055307594 /nfs/dbraw/zinc/30/75/94/1055307594.db2.gz CYGBYTPSBRKGFR-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC001236894780 1055307615 /nfs/dbraw/zinc/30/76/15/1055307615.db2.gz CYGBYTPSBRKGFR-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001236895708 1055307791 /nfs/dbraw/zinc/30/77/91/1055307791.db2.gz WYUNARVHMMPRIO-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001236895708 1055307810 /nfs/dbraw/zinc/30/78/10/1055307810.db2.gz WYUNARVHMMPRIO-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913268 1055309120 /nfs/dbraw/zinc/30/91/20/1055309120.db2.gz JXLIQDLQOPNQRJ-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906151 1055309444 /nfs/dbraw/zinc/30/94/44/1055309444.db2.gz IGIAGLXCRLYFJO-IYBDPMFKSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906151 1055309461 /nfs/dbraw/zinc/30/94/61/1055309461.db2.gz IGIAGLXCRLYFJO-IYBDPMFKSA-N 2 2 315.848 4.148 20 0 DIADLP C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913851 1055311087 /nfs/dbraw/zinc/31/10/87/1055311087.db2.gz PUADTNWTGZNPNU-QGZVFWFLSA-N 2 2 321.827 4.240 20 0 DIADLP C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913851 1055311104 /nfs/dbraw/zinc/31/11/04/1055311104.db2.gz PUADTNWTGZNPNU-QGZVFWFLSA-N 2 2 321.827 4.240 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001236912666 1055311139 /nfs/dbraw/zinc/31/11/39/1055311139.db2.gz DFURMCZSEBZKGX-HUUCEWRRSA-N 2 2 315.848 4.148 20 0 DIADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913837 1055311930 /nfs/dbraw/zinc/31/19/30/1055311930.db2.gz PJSFRVYDALASKH-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913837 1055311947 /nfs/dbraw/zinc/31/19/47/1055311947.db2.gz PJSFRVYDALASKH-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C2CCCC1CCC2 ZINC001236918668 1055315233 /nfs/dbraw/zinc/31/52/33/1055315233.db2.gz KWJQLBQLLUAXPE-UHFFFAOYSA-N 2 2 315.848 4.433 20 0 DIADLP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914147 1055317891 /nfs/dbraw/zinc/31/78/91/1055317891.db2.gz RLOVJLYLVFALOU-ZIAGYGMSSA-N 2 2 303.837 4.289 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)ccc1F ZINC000765249318 1055345292 /nfs/dbraw/zinc/34/52/92/1055345292.db2.gz GLNTUTFTFAIAKR-IRXDYDNUSA-N 2 2 321.415 4.317 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1F ZINC000765252939 1055345595 /nfs/dbraw/zinc/34/55/95/1055345595.db2.gz UBOWHFBCRGUMIU-IAGOWNOFSA-N 2 2 321.415 4.317 20 0 DIADLP CCOc1cccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000765249405 1055345879 /nfs/dbraw/zinc/34/58/79/1055345879.db2.gz IEXBYOSVMIMVLP-YJBOKZPZSA-N 2 2 315.461 4.047 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000765252919 1055345919 /nfs/dbraw/zinc/34/59/19/1055345919.db2.gz TUNQUDKXJUSMNB-SJORKVTESA-N 2 2 317.864 4.228 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(s1)CCC2 ZINC000765248566 1055345963 /nfs/dbraw/zinc/34/59/63/1055345963.db2.gz FQCDLNZCUJPGIK-DYVFJYSZSA-N 2 2 317.502 4.199 20 0 DIADLP Fc1cc(F)cc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CCCCC2)c1 ZINC001237057484 1055352824 /nfs/dbraw/zinc/35/28/24/1055352824.db2.gz JKCSLRXOPLTUPJ-LJQANCHMSA-N 2 2 322.443 4.414 20 0 DIADLP Fc1cc(F)cc([C@H]2CCC[N@H+]2CCC[NH2+]C2CCCCC2)c1 ZINC001237057484 1055352839 /nfs/dbraw/zinc/35/28/39/1055352839.db2.gz JKCSLRXOPLTUPJ-LJQANCHMSA-N 2 2 322.443 4.414 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000765361889 1055370807 /nfs/dbraw/zinc/37/08/07/1055370807.db2.gz ZSZJVSRXUFOBJX-HOTGVXAUSA-N 2 2 323.415 4.466 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160913 1055392145 /nfs/dbraw/zinc/39/21/45/1055392145.db2.gz MCUWQHYIFQCHOM-QGZVFWFLSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160913 1055392153 /nfs/dbraw/zinc/39/21/53/1055392153.db2.gz MCUWQHYIFQCHOM-QGZVFWFLSA-N 2 2 306.881 4.063 20 0 DIADLP [NH3+]Cc1cccc(C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC001237266010 1055410291 /nfs/dbraw/zinc/41/02/91/1055410291.db2.gz SXYKRZQFIOOQPU-UHFFFAOYSA-N 2 2 321.251 4.010 20 0 DIADLP [NH3+]Cc1cccc(C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC001237266010 1055410300 /nfs/dbraw/zinc/41/03/00/1055410300.db2.gz SXYKRZQFIOOQPU-UHFFFAOYSA-N 2 2 321.251 4.010 20 0 DIADLP CC(C)c1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237360276 1055438518 /nfs/dbraw/zinc/43/85/18/1055438518.db2.gz WQMGYYXOMRWAGC-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP CSc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237359079 1055439666 /nfs/dbraw/zinc/43/96/66/1055439666.db2.gz NEAFMUYDNXJOAD-UHFFFAOYSA-N 2 2 324.493 4.003 20 0 DIADLP Cc1cc(C)c(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1C ZINC001237363751 1055442815 /nfs/dbraw/zinc/44/28/15/1055442815.db2.gz MFXOKUAIUGLTFI-UHFFFAOYSA-N 2 2 320.480 4.206 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC001237460843 1055455667 /nfs/dbraw/zinc/45/56/67/1055455667.db2.gz ZAAJTMFJMFOPKU-IBGZPJMESA-N 2 2 310.441 4.167 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(C(C)C)c2)C1 ZINC001237460843 1055455673 /nfs/dbraw/zinc/45/56/73/1055455673.db2.gz ZAAJTMFJMFOPKU-IBGZPJMESA-N 2 2 310.441 4.167 20 0 DIADLP CC(C)c1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001237457745 1055455866 /nfs/dbraw/zinc/45/58/66/1055455866.db2.gz ZICQKAWBJVMLRZ-UHFFFAOYSA-N 2 2 300.490 4.260 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OC(C)C)c(C)c2)CC1 ZINC001237713109 1055512751 /nfs/dbraw/zinc/51/27/51/1055512751.db2.gz SWHLSTHAOWMKBH-UHFFFAOYSA-N 2 2 318.505 4.088 20 0 DIADLP Cc1c(Cl)cccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237730877 1055515664 /nfs/dbraw/zinc/51/56/64/1055515664.db2.gz AGQCTOXDHLVUJK-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1c(Cl)cccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237730877 1055515680 /nfs/dbraw/zinc/51/56/80/1055515680.db2.gz AGQCTOXDHLVUJK-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1c(Cl)cccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001237736844 1055518946 /nfs/dbraw/zinc/51/89/46/1055518946.db2.gz YYAATRHFARDUNF-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCn4cccc4[C@@H]3C)cc21 ZINC001237885164 1055551395 /nfs/dbraw/zinc/55/13/95/1055551395.db2.gz GMCOCHOJBSNUBK-INIZCTEOSA-N 2 2 321.468 4.066 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCn4cccc4[C@@H]3C)cc21 ZINC001237885164 1055551409 /nfs/dbraw/zinc/55/14/09/1055551409.db2.gz GMCOCHOJBSNUBK-INIZCTEOSA-N 2 2 321.468 4.066 20 0 DIADLP Cc1sccc1C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001237970671 1055568825 /nfs/dbraw/zinc/56/88/25/1055568825.db2.gz LAAMJPHVQXQDGJ-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1sccc1C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001237970671 1055568833 /nfs/dbraw/zinc/56/88/33/1055568833.db2.gz LAAMJPHVQXQDGJ-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP CC(C)c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC001238225309 1055625158 /nfs/dbraw/zinc/62/51/58/1055625158.db2.gz LPPBILIOOPMEJZ-UHFFFAOYSA-N 2 2 317.864 4.497 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(Cl)cc2C)CC1 ZINC001238261039 1055631702 /nfs/dbraw/zinc/63/17/02/1055631702.db2.gz XAFWYWNMIPUYQH-UHFFFAOYSA-N 2 2 315.288 4.218 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(Cl)cc2C)CC1 ZINC001238261039 1055631707 /nfs/dbraw/zinc/63/17/07/1055631707.db2.gz XAFWYWNMIPUYQH-UHFFFAOYSA-N 2 2 315.288 4.218 20 0 DIADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CC(C)(C)OCC)C2)C1 ZINC001278211481 1055634276 /nfs/dbraw/zinc/63/42/76/1055634276.db2.gz OFOAHUAYYSFPLK-GOSISDBHSA-N 2 2 324.553 4.026 20 0 DIADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CC(C)(C)OCC)C2)C1 ZINC001278211481 1055634280 /nfs/dbraw/zinc/63/42/80/1055634280.db2.gz OFOAHUAYYSFPLK-GOSISDBHSA-N 2 2 324.553 4.026 20 0 DIADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(F)cc1Cl ZINC001238307170 1055639081 /nfs/dbraw/zinc/63/90/81/1055639081.db2.gz UOPVKBHOJUJNJO-UHFFFAOYSA-N 2 2 312.860 4.092 20 0 DIADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(F)cc1Cl ZINC001238307170 1055639083 /nfs/dbraw/zinc/63/90/83/1055639083.db2.gz UOPVKBHOJUJNJO-UHFFFAOYSA-N 2 2 312.860 4.092 20 0 DIADLP Cc1ccc(OC(C)C)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001238482943 1055671556 /nfs/dbraw/zinc/67/15/56/1055671556.db2.gz PCMJOHGWNIWECC-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP Cc1ccc(OC(C)C)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001238482943 1055671566 /nfs/dbraw/zinc/67/15/66/1055671566.db2.gz PCMJOHGWNIWECC-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1Oc1ccccc1 ZINC001238526304 1055681099 /nfs/dbraw/zinc/68/10/99/1055681099.db2.gz OOIGTPOOCORNTM-UHFFFAOYSA-N 2 2 324.468 4.313 20 0 DIADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1Oc1ccccc1 ZINC001238526304 1055681102 /nfs/dbraw/zinc/68/11/02/1055681102.db2.gz OOIGTPOOCORNTM-UHFFFAOYSA-N 2 2 324.468 4.313 20 0 DIADLP CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000057593670 1055784021 /nfs/dbraw/zinc/78/40/21/1055784021.db2.gz OCDWFNIWQNLFIX-UHFFFAOYSA-N 2 2 305.425 4.285 20 0 DIADLP CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000057593670 1055784030 /nfs/dbraw/zinc/78/40/30/1055784030.db2.gz OCDWFNIWQNLFIX-UHFFFAOYSA-N 2 2 305.425 4.285 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2csc3ccccc23)C1 ZINC001238893577 1055785667 /nfs/dbraw/zinc/78/56/67/1055785667.db2.gz STAOXVOTHCRWEE-HNNXBMFYSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2csc3ccccc23)C1 ZINC001238893577 1055785677 /nfs/dbraw/zinc/78/56/77/1055785677.db2.gz STAOXVOTHCRWEE-HNNXBMFYSA-N 2 2 308.450 4.101 20 0 DIADLP CC[C@H](c1ccccc1)[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347600705 1055875345 /nfs/dbraw/zinc/87/53/45/1055875345.db2.gz AODPMZIXDTYJAP-QGZVFWFLSA-N 2 2 317.502 4.178 20 0 DIADLP CC[C@H](c1ccccc1)[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347600705 1055875352 /nfs/dbraw/zinc/87/53/52/1055875352.db2.gz AODPMZIXDTYJAP-QGZVFWFLSA-N 2 2 317.502 4.178 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccco2)C1 ZINC001615651216 1055927557 /nfs/dbraw/zinc/92/75/57/1055927557.db2.gz YUPXTASUXJJTCY-VQIMIIECSA-N 2 2 321.424 4.439 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccco2)C1 ZINC001615651216 1055927564 /nfs/dbraw/zinc/92/75/64/1055927564.db2.gz YUPXTASUXJJTCY-VQIMIIECSA-N 2 2 321.424 4.439 20 0 DIADLP Fc1ccc2oc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC001620757886 1055929630 /nfs/dbraw/zinc/92/96/30/1055929630.db2.gz KKKIHEMVBJFSCA-UHFFFAOYSA-N 2 2 321.355 4.047 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC001621016821 1055983455 /nfs/dbraw/zinc/98/34/55/1055983455.db2.gz AEFCLUJAMRTYPB-IBGZPJMESA-N 2 2 308.469 4.236 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC001621016821 1055983462 /nfs/dbraw/zinc/98/34/62/1055983462.db2.gz AEFCLUJAMRTYPB-IBGZPJMESA-N 2 2 308.469 4.236 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748197 1055993219 /nfs/dbraw/zinc/99/32/19/1055993219.db2.gz MXKKSGVZBPNFQC-MISYRCLQSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748197 1055993227 /nfs/dbraw/zinc/99/32/27/1055993227.db2.gz MXKKSGVZBPNFQC-MISYRCLQSA-N 2 2 314.517 4.455 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001621037019 1055997995 /nfs/dbraw/zinc/99/79/95/1055997995.db2.gz XLZNBIHYNGTALD-WOBAJENOSA-N 2 2 312.501 4.477 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001621037019 1055998010 /nfs/dbraw/zinc/99/80/10/1055998010.db2.gz XLZNBIHYNGTALD-WOBAJENOSA-N 2 2 312.501 4.477 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001621037016 1055998598 /nfs/dbraw/zinc/99/85/98/1055998598.db2.gz XLZNBIHYNGTALD-BKBDBRRMSA-N 2 2 312.501 4.477 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001621037016 1055998606 /nfs/dbraw/zinc/99/86/06/1055998606.db2.gz XLZNBIHYNGTALD-BKBDBRRMSA-N 2 2 312.501 4.477 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239661536 1056009696 /nfs/dbraw/zinc/00/96/96/1056009696.db2.gz IUKWHBHEIPXWLD-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239661536 1056009703 /nfs/dbraw/zinc/00/97/03/1056009703.db2.gz IUKWHBHEIPXWLD-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP Clc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731134 1056178957 /nfs/dbraw/zinc/17/89/57/1056178957.db2.gz RMPTUIUIVKLLOR-UHFFFAOYSA-N 2 2 314.860 4.094 20 0 DIADLP Fc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1-n1cc[nH+]c1 ZINC001240062165 1056297846 /nfs/dbraw/zinc/29/78/46/1056297846.db2.gz SRNBBTSUUBGGEF-UHFFFAOYSA-N 2 2 321.399 4.274 20 0 DIADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474460880 1056314119 /nfs/dbraw/zinc/31/41/19/1056314119.db2.gz NPCDTSQZSIRDBY-QVOMUQBLSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)C1CCC(C(F)(F)F)CC1 ZINC000474479539 1056317419 /nfs/dbraw/zinc/31/74/19/1056317419.db2.gz YAAKRFFGHWGEFN-FHERZECASA-N 2 2 320.443 4.209 20 0 DIADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805049 1056357689 /nfs/dbraw/zinc/35/76/89/1056357689.db2.gz ANVINDRZPUVTQS-KBJXHQRYSA-N 2 2 320.443 4.062 20 0 DIADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805049 1056357704 /nfs/dbraw/zinc/35/77/04/1056357704.db2.gz ANVINDRZPUVTQS-KBJXHQRYSA-N 2 2 320.443 4.062 20 0 DIADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805045 1056359055 /nfs/dbraw/zinc/35/90/55/1056359055.db2.gz ANVINDRZPUVTQS-BKAAIYKLSA-N 2 2 320.443 4.062 20 0 DIADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805045 1056359070 /nfs/dbraw/zinc/35/90/70/1056359070.db2.gz ANVINDRZPUVTQS-BKAAIYKLSA-N 2 2 320.443 4.062 20 0 DIADLP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240169959 1056362099 /nfs/dbraw/zinc/36/20/99/1056362099.db2.gz VCPFQDOTRDXDFO-UHFFFAOYSA-N 2 2 309.457 4.109 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC001615226875 1056480942 /nfs/dbraw/zinc/48/09/42/1056480942.db2.gz VVUROOZXURLUQN-HXUWFJFHSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC001615226875 1056480951 /nfs/dbraw/zinc/48/09/51/1056480951.db2.gz VVUROOZXURLUQN-HXUWFJFHSA-N 2 2 309.457 4.335 20 0 DIADLP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001615531154 1056531496 /nfs/dbraw/zinc/53/14/96/1056531496.db2.gz JWKCPLWICRNJPE-OAQYLSRUSA-N 2 2 317.436 4.382 20 0 DIADLP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001615531154 1056531509 /nfs/dbraw/zinc/53/15/09/1056531509.db2.gz JWKCPLWICRNJPE-OAQYLSRUSA-N 2 2 317.436 4.382 20 0 DIADLP Cc1ccc(C[NH+]2CCCCC2)cc1-c1ccn2cc[nH+]c2c1 ZINC001240519019 1056548083 /nfs/dbraw/zinc/54/80/83/1056548083.db2.gz XJJPTJDFVKQLTE-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(CF)cc1 ZINC001616382989 1056646862 /nfs/dbraw/zinc/64/68/62/1056646862.db2.gz UBMSEUJUDQXVJT-UHFFFAOYSA-N 2 2 314.448 4.156 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(CF)cc1 ZINC001616382989 1056646868 /nfs/dbraw/zinc/64/68/68/1056646868.db2.gz UBMSEUJUDQXVJT-UHFFFAOYSA-N 2 2 314.448 4.156 20 0 DIADLP Cc1ccccc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620832674 1056710255 /nfs/dbraw/zinc/71/02/55/1056710255.db2.gz NSWHRUNRQSHFDR-OAQYLSRUSA-N 2 2 322.496 4.180 20 0 DIADLP Cc1ccccc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620832674 1056710267 /nfs/dbraw/zinc/71/02/67/1056710267.db2.gz NSWHRUNRQSHFDR-OAQYLSRUSA-N 2 2 322.496 4.180 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC001616794864 1056720315 /nfs/dbraw/zinc/72/03/15/1056720315.db2.gz PJXGQHIHTVNUJC-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC001617237306 1056799584 /nfs/dbraw/zinc/79/95/84/1056799584.db2.gz TVDPZGVDFOELFD-UHFFFAOYSA-N 2 2 311.473 4.439 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c2ccccc12 ZINC001241006017 1056810687 /nfs/dbraw/zinc/81/06/87/1056810687.db2.gz BHNDYJVBTNBZLC-GOSISDBHSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c2ccccc12 ZINC001241006017 1056810698 /nfs/dbraw/zinc/81/06/98/1056810698.db2.gz BHNDYJVBTNBZLC-GOSISDBHSA-N 2 2 316.448 4.348 20 0 DIADLP CCCCOc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001241021802 1056824524 /nfs/dbraw/zinc/82/45/24/1056824524.db2.gz SKRQPRFNQAVMNR-SFHVURJKSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001241021802 1056824529 /nfs/dbraw/zinc/82/45/29/1056824529.db2.gz SKRQPRFNQAVMNR-SFHVURJKSA-N 2 2 324.468 4.066 20 0 DIADLP CC(C)=CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC001617484009 1056840588 /nfs/dbraw/zinc/84/05/88/1056840588.db2.gz ZJTYUHSDHHAAGW-UHFFFAOYSA-N 2 2 317.864 4.084 20 0 DIADLP CC(C)=CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC001617484009 1056840593 /nfs/dbraw/zinc/84/05/93/1056840593.db2.gz ZJTYUHSDHHAAGW-UHFFFAOYSA-N 2 2 317.864 4.084 20 0 DIADLP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1C[NH+]1CCCCC1 ZINC001241244165 1056977985 /nfs/dbraw/zinc/97/79/85/1056977985.db2.gz VGCKAWXBEGMNEC-UHFFFAOYSA-N 2 2 309.457 4.109 20 0 DIADLP CCCCOc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241294708 1057000744 /nfs/dbraw/zinc/00/07/44/1057000744.db2.gz JWALFVUAOXAEOH-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241294708 1057000752 /nfs/dbraw/zinc/00/07/52/1057000752.db2.gz JWALFVUAOXAEOH-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP CC(C)Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241326248 1057015344 /nfs/dbraw/zinc/01/53/44/1057015344.db2.gz CEAXEPRLEGKMOE-HXUWFJFHSA-N 2 2 308.469 4.085 20 0 DIADLP CC(C)Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241326248 1057015348 /nfs/dbraw/zinc/01/53/48/1057015348.db2.gz CEAXEPRLEGKMOE-HXUWFJFHSA-N 2 2 308.469 4.085 20 0 DIADLP Cc1cn2cc(-c3ccc(C[NH+]4CCCCC4)cc3)ccc2[nH+]1 ZINC001241388715 1057034449 /nfs/dbraw/zinc/03/44/49/1057034449.db2.gz NSAYJTVIIBBELP-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP CC(C)(C)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000059387017 1057192922 /nfs/dbraw/zinc/19/29/22/1057192922.db2.gz UAFWGILNOGHVLJ-UHFFFAOYSA-N 2 2 314.517 4.434 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c4ccccc43)cc2)C1 ZINC001241904698 1057206122 /nfs/dbraw/zinc/20/61/22/1057206122.db2.gz ZQVSAVSSVGRCCI-KRWDZBQOSA-N 2 2 320.411 4.179 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c4ccccc43)cc2)C1 ZINC001241904698 1057206126 /nfs/dbraw/zinc/20/61/26/1057206126.db2.gz ZQVSAVSSVGRCCI-KRWDZBQOSA-N 2 2 320.411 4.179 20 0 DIADLP CCc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917781 1057430804 /nfs/dbraw/zinc/43/08/04/1057430804.db2.gz DNYTYOADGXEHIJ-YJBOKZPZSA-N 2 2 323.440 4.210 20 0 DIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1F ZINC000675918260 1057430976 /nfs/dbraw/zinc/43/09/76/1057430976.db2.gz FXGYAVIMTYFIDD-HNAYVOBHSA-N 2 2 323.415 4.194 20 0 DIADLP Cn1c[nH+]cc1-c1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC001242693171 1057449649 /nfs/dbraw/zinc/44/96/49/1057449649.db2.gz JRXMBHKRKZZJIF-LJQANCHMSA-N 2 2 307.441 4.119 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000166826483 1057677442 /nfs/dbraw/zinc/67/74/42/1057677442.db2.gz HJQBFGFKUNMKMM-PWRODBHTSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000166826483 1057677445 /nfs/dbraw/zinc/67/74/45/1057677445.db2.gz HJQBFGFKUNMKMM-PWRODBHTSA-N 2 2 324.443 4.132 20 0 DIADLP Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000168204801 1057688891 /nfs/dbraw/zinc/68/88/91/1057688891.db2.gz HBNXZPHWELXAFY-CHWSQXEVSA-N 2 2 324.428 4.197 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000731451074 1057744108 /nfs/dbraw/zinc/74/41/08/1057744108.db2.gz ITXCZBUEPFQFFZ-FOIQADDNSA-N 2 2 303.409 4.210 20 0 DIADLP c1cn(Cc2ccc(-c3cccc(C4=[NH+]CCC4)c3)cc2)c[nH+]1 ZINC001243661934 1057748155 /nfs/dbraw/zinc/74/81/55/1057748155.db2.gz GKDSGEIRXQBVLF-UHFFFAOYSA-N 2 2 301.393 4.181 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001244276768 1057921644 /nfs/dbraw/zinc/92/16/44/1057921644.db2.gz RDIYPURKZJEENY-LJQANCHMSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001244276768 1057921650 /nfs/dbraw/zinc/92/16/50/1057921650.db2.gz RDIYPURKZJEENY-LJQANCHMSA-N 2 2 306.453 4.072 20 0 DIADLP Fc1cc(-c2c[nH+]cn2Cc2ccccc2)ccc1[C@H]1CCC[NH2+]1 ZINC001245198317 1058127013 /nfs/dbraw/zinc/12/70/13/1058127013.db2.gz AIZVODSQBJGLOM-LJQANCHMSA-N 2 2 321.399 4.162 20 0 DIADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245349399 1058149697 /nfs/dbraw/zinc/14/96/97/1058149697.db2.gz DYZNGWJCEKMKLI-FQEVSTJZSA-N 2 2 321.468 4.472 20 0 DIADLP c1cn(Cc2ccccc2-c2ccc([C@@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001245354968 1058151130 /nfs/dbraw/zinc/15/11/30/1058151130.db2.gz JEGYUTZTUOONNN-FQEVSTJZSA-N 2 2 303.409 4.023 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(Cl)cccc3Cl)cc2)C1 ZINC001245676221 1058336929 /nfs/dbraw/zinc/33/69/29/1058336929.db2.gz SOTJWKLFYKLLEG-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(Cl)cccc3Cl)cc2)C1 ZINC001245676221 1058336943 /nfs/dbraw/zinc/33/69/43/1058336943.db2.gz SOTJWKLFYKLLEG-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246115909 1058683800 /nfs/dbraw/zinc/68/38/00/1058683800.db2.gz KMHIIYXKJDSMDR-RTXFEEFZSA-N 2 2 301.261 4.175 20 0 DIADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246143371 1058695823 /nfs/dbraw/zinc/69/58/23/1058695823.db2.gz QOCKRCQGYOAWGI-VSKRKVRLSA-N 2 2 322.496 4.481 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246146098 1058696123 /nfs/dbraw/zinc/69/61/23/1058696123.db2.gz YCPPXRHAHASZDP-NJYVYQBISA-N 2 2 308.469 4.091 20 0 DIADLP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1Cl ZINC001246159219 1058700860 /nfs/dbraw/zinc/70/08/60/1058700860.db2.gz NZEYCZDMYAFHDV-SWLSCSKDSA-N 2 2 312.860 4.044 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(C)c2Cl)CC[NH2+]1 ZINC001246159250 1058701390 /nfs/dbraw/zinc/70/13/90/1058701390.db2.gz OPSUXBHUVXPEJM-KBPBESRZSA-N 2 2 312.860 4.188 20 0 DIADLP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1Cl ZINC001246158368 1058703210 /nfs/dbraw/zinc/70/32/10/1058703210.db2.gz JDXBZRHKACMJIS-CQSZACIVSA-N 2 2 324.871 4.332 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2c(Cl)ccc(C)c2F)C[C@@H](CC)[NH2+]1 ZINC001246157884 1058703435 /nfs/dbraw/zinc/70/34/35/1058703435.db2.gz CPPFUBNSTQIZGO-CHWSQXEVSA-N 2 2 312.860 4.186 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246175212 1058719280 /nfs/dbraw/zinc/71/92/80/1058719280.db2.gz IJJDCGDPBWVZMI-ZIAGYGMSSA-N 2 2 315.288 4.394 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246175210 1058720437 /nfs/dbraw/zinc/72/04/37/1058720437.db2.gz IJJDCGDPBWVZMI-KGLIPLIRSA-N 2 2 315.288 4.394 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246179153 1058724855 /nfs/dbraw/zinc/72/48/55/1058724855.db2.gz DBBGXVYUZUUWSD-LSDHHAIUSA-N 2 2 315.288 4.394 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@H](CC)[NH2+]1 ZINC001246224755 1058749968 /nfs/dbraw/zinc/74/99/68/1058749968.db2.gz IWRNYVMUAHMRSN-CLLJXQQHSA-N 2 2 316.823 4.017 20 0 DIADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1Cl ZINC001246236274 1058762448 /nfs/dbraw/zinc/76/24/48/1058762448.db2.gz UUPVFEHFHIOPGG-CQSZACIVSA-N 2 2 310.844 4.024 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1Cl ZINC001246254033 1058774230 /nfs/dbraw/zinc/77/42/30/1058774230.db2.gz NVTCBRBTQPVHTO-RYUDHWBXSA-N 2 2 313.272 4.319 20 0 DIADLP [NH3+][C@H](C[NH2+]C1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC001246279648 1058793168 /nfs/dbraw/zinc/79/31/68/1058793168.db2.gz OQJVRQFJJPDRJK-DQVLVPHSSA-N 2 2 308.469 4.078 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1c(F)cccc1Cl ZINC001246293219 1058806078 /nfs/dbraw/zinc/80/60/78/1058806078.db2.gz AYQISVRCTHSCSK-YWPYICTPSA-N 2 2 312.860 4.296 20 0 DIADLP CC(C)([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1F ZINC001246348961 1058861327 /nfs/dbraw/zinc/86/13/27/1058861327.db2.gz NBMFBATWZHVZJE-APWZRJJASA-N 2 2 312.432 4.144 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(F)c1F ZINC001246380858 1058885214 /nfs/dbraw/zinc/88/52/14/1058885214.db2.gz YSUCFBQQWYLCLZ-XUWXXGDYSA-N 2 2 316.395 4.109 20 0 DIADLP CC[C@@H]1CC([NH2+][C@@H](c2ncccc2Cl)C2CC2)C[C@@H](CC)[NH2+]1 ZINC001246461145 1058946390 /nfs/dbraw/zinc/94/63/90/1058946390.db2.gz WLYIORTVXBTMRD-CKEIUWERSA-N 2 2 321.896 4.085 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246461150 1058946684 /nfs/dbraw/zinc/94/66/84/1058946684.db2.gz WLYIORTVXBTMRD-WBTNSWJXSA-N 2 2 321.896 4.085 20 0 DIADLP CC[C@H]([NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1)c1c(F)cccc1F ZINC001246470483 1058955886 /nfs/dbraw/zinc/95/58/86/1058955886.db2.gz ZGQORWRHQDUUHE-XNJGSVPQSA-N 2 2 310.432 4.315 20 0 DIADLP CC[C@@H]1CC([NH2+][C@H](C)c2cccc(F)c2Cl)C[C@@H](CC)[NH2+]1 ZINC001246493051 1058968833 /nfs/dbraw/zinc/96/88/33/1058968833.db2.gz YECZVMGXVHPDRX-JHJVBQTASA-N 2 2 312.860 4.439 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246493055 1058969719 /nfs/dbraw/zinc/96/97/19/1058969719.db2.gz YECZVMGXVHPDRX-YIYPIFLZSA-N 2 2 312.860 4.439 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001246509471 1058978841 /nfs/dbraw/zinc/97/88/41/1058978841.db2.gz IBNTVWUVMJHDBJ-LMNJBCLMSA-N 2 2 324.468 4.011 20 0 DIADLP Clc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246536493 1058989531 /nfs/dbraw/zinc/98/95/31/1058989531.db2.gz FYWORQLWFODWAX-GOSISDBHSA-N 2 2 318.892 4.153 20 0 DIADLP Clc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246536493 1058989557 /nfs/dbraw/zinc/98/95/57/1058989557.db2.gz FYWORQLWFODWAX-GOSISDBHSA-N 2 2 318.892 4.153 20 0 DIADLP CC(C)c1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001559120286 1059009360 /nfs/dbraw/zinc/00/93/60/1059009360.db2.gz ABBPNYGOYCBFHE-HUUCEWRRSA-N 2 2 304.482 4.008 20 0 DIADLP CC(C)c1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001559120284 1059009476 /nfs/dbraw/zinc/00/94/76/1059009476.db2.gz ABBPNYGOYCBFHE-CABCVRRESA-N 2 2 304.482 4.008 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246621899 1059031394 /nfs/dbraw/zinc/03/13/94/1059031394.db2.gz QDJKWZJEDJNITB-YOEHRIQHSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246621899 1059031416 /nfs/dbraw/zinc/03/14/16/1059031416.db2.gz QDJKWZJEDJNITB-YOEHRIQHSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246642982 1059047292 /nfs/dbraw/zinc/04/72/92/1059047292.db2.gz NSJYYNILRSVTMX-VOQZNFBZSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246642982 1059047312 /nfs/dbraw/zinc/04/73/12/1059047312.db2.gz NSJYYNILRSVTMX-VOQZNFBZSA-N 2 2 320.480 4.033 20 0 DIADLP C1CCC2(CC1)CCC[C@@H]([N@@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246649288 1059047699 /nfs/dbraw/zinc/04/76/99/1059047699.db2.gz XGNAQYOCIQGNPD-GOSISDBHSA-N 2 2 304.522 4.488 20 0 DIADLP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246649288 1059047720 /nfs/dbraw/zinc/04/77/20/1059047720.db2.gz XGNAQYOCIQGNPD-GOSISDBHSA-N 2 2 304.522 4.488 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246664638 1059059818 /nfs/dbraw/zinc/05/98/18/1059059818.db2.gz NSJYYNILRSVTMX-WTOYTKOKSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246664638 1059059838 /nfs/dbraw/zinc/05/98/38/1059059838.db2.gz NSJYYNILRSVTMX-WTOYTKOKSA-N 2 2 320.480 4.033 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246770234 1059072506 /nfs/dbraw/zinc/07/25/06/1059072506.db2.gz NSRZWUPLBSOLGK-IEBWSBKVSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246770234 1059072527 /nfs/dbraw/zinc/07/25/27/1059072527.db2.gz NSRZWUPLBSOLGK-IEBWSBKVSA-N 2 2 314.860 4.265 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793682 1059094467 /nfs/dbraw/zinc/09/44/67/1059094467.db2.gz WHJFBFOEQDZRAO-MDZRGWNJSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793682 1059094481 /nfs/dbraw/zinc/09/44/81/1059094481.db2.gz WHJFBFOEQDZRAO-MDZRGWNJSA-N 2 2 322.443 4.413 20 0 DIADLP C[N@H+](Cc1sc2ccccc2c1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246842767 1059119274 /nfs/dbraw/zinc/11/92/74/1059119274.db2.gz VKMNLYYZCUIIFX-CLLJXQQHSA-N 2 2 320.889 4.270 20 0 DIADLP C[N@@H+](Cc1sc2ccccc2c1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246842767 1059119281 /nfs/dbraw/zinc/11/92/81/1059119281.db2.gz VKMNLYYZCUIIFX-CLLJXQQHSA-N 2 2 320.889 4.270 20 0 DIADLP C[N@H+](Cc1sc2ccccc2c1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246842779 1059120303 /nfs/dbraw/zinc/12/03/03/1059120303.db2.gz VKMNLYYZCUIIFX-ITGUQSILSA-N 2 2 320.889 4.270 20 0 DIADLP C[N@@H+](Cc1sc2ccccc2c1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246842779 1059120321 /nfs/dbraw/zinc/12/03/21/1059120321.db2.gz VKMNLYYZCUIIFX-ITGUQSILSA-N 2 2 320.889 4.270 20 0 DIADLP C[N@H+](C/C=C/c1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846094 1059123746 /nfs/dbraw/zinc/12/37/46/1059123746.db2.gz PBFHXCPZZPRLSC-FFLQPZBESA-N 2 2 306.453 4.125 20 0 DIADLP C[N@@H+](C/C=C/c1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846094 1059123754 /nfs/dbraw/zinc/12/37/54/1059123754.db2.gz PBFHXCPZZPRLSC-FFLQPZBESA-N 2 2 306.453 4.125 20 0 DIADLP C[C@@H]1CC[C@@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879351 1059145582 /nfs/dbraw/zinc/14/55/82/1059145582.db2.gz MDKLBBJEQOJCSO-VIDZHXABSA-N 2 2 318.464 4.003 20 0 DIADLP C[C@@H]1CC[C@@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879351 1059145585 /nfs/dbraw/zinc/14/55/85/1059145585.db2.gz MDKLBBJEQOJCSO-VIDZHXABSA-N 2 2 318.464 4.003 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886144 1059148666 /nfs/dbraw/zinc/14/86/66/1059148666.db2.gz JVYAURPWWYOCSY-JTDSTZFVSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886144 1059148677 /nfs/dbraw/zinc/14/86/77/1059148677.db2.gz JVYAURPWWYOCSY-JTDSTZFVSA-N 2 2 322.443 4.413 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246909184 1059170832 /nfs/dbraw/zinc/17/08/32/1059170832.db2.gz FCZNOOAGCNJTPG-CQSZACIVSA-N 2 2 315.288 4.346 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246909184 1059170841 /nfs/dbraw/zinc/17/08/41/1059170841.db2.gz FCZNOOAGCNJTPG-CQSZACIVSA-N 2 2 315.288 4.346 20 0 DIADLP CCCCCC[C@@H](CCC)[NH+]1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC001246962381 1059207353 /nfs/dbraw/zinc/20/73/53/1059207353.db2.gz DNJKPMKKNZJFTK-LJQANCHMSA-N 3 2 323.569 4.013 20 0 DIADLP CCCCCC[C@H](CC)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246959424 1059208204 /nfs/dbraw/zinc/20/82/04/1059208204.db2.gz GIHVWFYZGXTAHN-VQTJNVASSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@H](CC)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246959424 1059208222 /nfs/dbraw/zinc/20/82/22/1059208222.db2.gz GIHVWFYZGXTAHN-VQTJNVASSA-N 2 2 317.521 4.385 20 0 DIADLP CCC[C@H](CC)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965711 1059211937 /nfs/dbraw/zinc/21/19/37/1059211937.db2.gz QTKDGLKNYSJJEY-AWEZNQCLSA-N 2 2 310.432 4.098 20 0 DIADLP CCC[C@H](CC)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965711 1059211955 /nfs/dbraw/zinc/21/19/55/1059211955.db2.gz QTKDGLKNYSJJEY-AWEZNQCLSA-N 2 2 310.432 4.098 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981529 1059221918 /nfs/dbraw/zinc/22/19/18/1059221918.db2.gz WOZRFUONGPIFCK-GIVPXCGWSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981529 1059221933 /nfs/dbraw/zinc/22/19/33/1059221933.db2.gz WOZRFUONGPIFCK-GIVPXCGWSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc(-c2ccc(C3CC[NH+]([C@@H]4CCC[NH2+]C4)CC3)cc2)cc1 ZINC001246987288 1059227370 /nfs/dbraw/zinc/22/73/70/1059227370.db2.gz FJIDRTISJVSPHC-JOCHJYFZSA-N 2 2 320.480 4.285 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001559574841 1059409629 /nfs/dbraw/zinc/40/96/29/1059409629.db2.gz MMLAJLPHLOJHRS-QGZVFWFLSA-N 2 2 317.436 4.128 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001559574841 1059409636 /nfs/dbraw/zinc/40/96/36/1059409636.db2.gz MMLAJLPHLOJHRS-QGZVFWFLSA-N 2 2 317.436 4.128 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001559735469 1059564534 /nfs/dbraw/zinc/56/45/34/1059564534.db2.gz NPVZMFICFNBQSQ-HXUWFJFHSA-N 2 2 314.517 4.394 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001559735469 1059564551 /nfs/dbraw/zinc/56/45/51/1059564551.db2.gz NPVZMFICFNBQSQ-HXUWFJFHSA-N 2 2 314.517 4.394 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001560011685 1059817669 /nfs/dbraw/zinc/81/76/69/1059817669.db2.gz NLXJDVNHYAZIJU-IBGZPJMESA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001560011685 1059817693 /nfs/dbraw/zinc/81/76/93/1059817693.db2.gz NLXJDVNHYAZIJU-IBGZPJMESA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001560011686 1059818834 /nfs/dbraw/zinc/81/88/34/1059818834.db2.gz NLXJDVNHYAZIJU-LJQANCHMSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001560011686 1059818863 /nfs/dbraw/zinc/81/88/63/1059818863.db2.gz NLXJDVNHYAZIJU-LJQANCHMSA-N 2 2 309.457 4.193 20 0 DIADLP Clc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001560099056 1059907452 /nfs/dbraw/zinc/90/74/52/1059907452.db2.gz ZYMVFBBIFNAMDY-HNNXBMFYSA-N 2 2 317.845 4.129 20 0 DIADLP Cc1cc(Cl)ccc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001560126789 1059929422 /nfs/dbraw/zinc/92/94/22/1059929422.db2.gz QOFJICUDUBIKNO-UHFFFAOYSA-N 2 2 320.908 4.489 20 0 DIADLP CCCCCCc1csc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001248678890 1059933045 /nfs/dbraw/zinc/93/30/45/1059933045.db2.gz PQWUHNYMZQIMNZ-UHFFFAOYSA-N 2 2 308.535 4.397 20 0 DIADLP CCCCCCc1csc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001248678890 1059933064 /nfs/dbraw/zinc/93/30/64/1059933064.db2.gz PQWUHNYMZQIMNZ-UHFFFAOYSA-N 2 2 308.535 4.397 20 0 DIADLP Cc1cc(CNc2cccc(C[NH+]3CCCCC3)c2)cc(C)[nH+]1 ZINC001560277695 1060052301 /nfs/dbraw/zinc/05/23/01/1060052301.db2.gz VSDRFFIAQJDMKJ-UHFFFAOYSA-N 2 2 309.457 4.296 20 0 DIADLP CC1(C)CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001560290309 1060071696 /nfs/dbraw/zinc/07/16/96/1060071696.db2.gz UJBQCVGRTGOEKK-INIZCTEOSA-N 2 2 315.436 4.317 20 0 DIADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC001560302579 1060089959 /nfs/dbraw/zinc/08/99/59/1060089959.db2.gz CXQAGZYEFRCZKF-QGZVFWFLSA-N 2 2 303.475 4.382 20 0 DIADLP C(=C/c1ccccc1)\C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001560452214 1060243182 /nfs/dbraw/zinc/24/31/82/1060243182.db2.gz RAPUAPFNIUJJBZ-JXMROGBWSA-N 2 2 312.501 4.336 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3c2CCC3)C2CCCC2)CC1 ZINC001249459420 1060254674 /nfs/dbraw/zinc/25/46/74/1060254674.db2.gz SYTZDGHSUAFXFR-UHFFFAOYSA-N 2 2 312.501 4.014 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3c2CCC3)C2CCCC2)CC1 ZINC001249459420 1060254690 /nfs/dbraw/zinc/25/46/90/1060254690.db2.gz SYTZDGHSUAFXFR-UHFFFAOYSA-N 2 2 312.501 4.014 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001560502859 1060300152 /nfs/dbraw/zinc/30/01/52/1060300152.db2.gz ZRPVXPCNDULPOM-SQFISAMPSA-N 2 2 306.881 4.207 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001560502859 1060300172 /nfs/dbraw/zinc/30/01/72/1060300172.db2.gz ZRPVXPCNDULPOM-SQFISAMPSA-N 2 2 306.881 4.207 20 0 DIADLP C[C@@H](CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)[NH+](C)C ZINC001560547023 1060355568 /nfs/dbraw/zinc/35/55/68/1060355568.db2.gz QQNIMTXRRWRVGL-ZDUSSCGKSA-N 2 2 306.837 4.030 20 0 DIADLP Cc1cc(NCC(C)(C)C[N@H+](C)Cc2ccccc2)c[nH+]c1C ZINC001560571338 1060383528 /nfs/dbraw/zinc/38/35/28/1060383528.db2.gz OUYMGOGNMJTIPF-UHFFFAOYSA-N 2 2 311.473 4.269 20 0 DIADLP Cc1cc(NCC(C)(C)C[N@@H+](C)Cc2ccccc2)c[nH+]c1C ZINC001560571338 1060383541 /nfs/dbraw/zinc/38/35/41/1060383541.db2.gz OUYMGOGNMJTIPF-UHFFFAOYSA-N 2 2 311.473 4.269 20 0 DIADLP CCC[C@H](C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572784 1060383923 /nfs/dbraw/zinc/38/39/23/1060383923.db2.gz CICXJRJOMZSPHC-HKUYNNGSSA-N 2 2 302.506 4.455 20 0 DIADLP CCC[C@H](C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572784 1060383936 /nfs/dbraw/zinc/38/39/36/1060383936.db2.gz CICXJRJOMZSPHC-HKUYNNGSSA-N 2 2 302.506 4.455 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccsc2S1 ZINC001560683355 1060525304 /nfs/dbraw/zinc/52/53/04/1060525304.db2.gz UXTMACPSMWTMIL-SMDDNHRTSA-N 2 2 319.499 4.276 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCC1 ZINC001560764098 1060630745 /nfs/dbraw/zinc/63/07/45/1060630745.db2.gz RMKQLQPFLFDWKT-FUHWJXTLSA-N 2 2 320.908 4.125 20 0 DIADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(SC)s1 ZINC001560811430 1060671974 /nfs/dbraw/zinc/67/19/74/1060671974.db2.gz KMROLNKBGABZQV-UHFFFAOYSA-N 2 2 300.537 4.024 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(SC)s1 ZINC001560811430 1060671982 /nfs/dbraw/zinc/67/19/82/1060671982.db2.gz KMROLNKBGABZQV-UHFFFAOYSA-N 2 2 300.537 4.024 20 0 DIADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001560837340 1060693128 /nfs/dbraw/zinc/69/31/28/1060693128.db2.gz OQNIAKBAUSTLQX-DETPVDSQSA-N 2 2 315.288 4.169 20 0 DIADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944870 1060810700 /nfs/dbraw/zinc/81/07/00/1060810700.db2.gz LGDZILGZOWFVEZ-RTBURBONSA-N 2 2 318.892 4.350 20 0 DIADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944870 1060810714 /nfs/dbraw/zinc/81/07/14/1060810714.db2.gz LGDZILGZOWFVEZ-RTBURBONSA-N 2 2 318.892 4.350 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001560961628 1060826796 /nfs/dbraw/zinc/82/67/96/1060826796.db2.gz RRJRLUFHLRKJAK-QUCCMNQESA-N 2 2 300.490 4.004 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001560961628 1060826803 /nfs/dbraw/zinc/82/68/03/1060826803.db2.gz RRJRLUFHLRKJAK-QUCCMNQESA-N 2 2 300.490 4.004 20 0 DIADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC001560965839 1060830828 /nfs/dbraw/zinc/83/08/28/1060830828.db2.gz CKJIIEHKQICMSV-PCCBWWKXSA-N 2 2 312.501 4.209 20 0 DIADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC001560965839 1060830840 /nfs/dbraw/zinc/83/08/40/1060830840.db2.gz CKJIIEHKQICMSV-PCCBWWKXSA-N 2 2 312.501 4.209 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001560998385 1060858806 /nfs/dbraw/zinc/85/88/06/1060858806.db2.gz WKWHRYKELYKYKJ-UHFFFAOYSA-N 2 2 311.473 4.008 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(F)ccc1OC ZINC001561014704 1060872922 /nfs/dbraw/zinc/87/29/22/1060872922.db2.gz XZRIBDNSHNAZSP-KRWDZBQOSA-N 2 2 322.468 4.138 20 0 DIADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCC[NH+]1CCCCC1 ZINC001473286370 1061054909 /nfs/dbraw/zinc/05/49/09/1061054909.db2.gz BWGUORXBWRQWSO-JKSUJKDBSA-N 2 2 304.453 4.009 20 0 DIADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC001473286370 1061054919 /nfs/dbraw/zinc/05/49/19/1061054919.db2.gz BWGUORXBWRQWSO-JKSUJKDBSA-N 2 2 304.453 4.009 20 0 DIADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC001473286368 1061056028 /nfs/dbraw/zinc/05/60/28/1061056028.db2.gz BWGUORXBWRQWSO-HOTGVXAUSA-N 2 2 304.453 4.009 20 0 DIADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCC[NH+]1CCCCC1 ZINC001473286368 1061056039 /nfs/dbraw/zinc/05/60/39/1061056039.db2.gz BWGUORXBWRQWSO-HOTGVXAUSA-N 2 2 304.453 4.009 20 0 DIADLP CC[C@H]([NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)(C)c1ccccc1 ZINC001473314792 1061079115 /nfs/dbraw/zinc/07/91/15/1061079115.db2.gz OGCFUNMQHCKNAL-BJLQDIEVSA-N 2 2 316.533 4.310 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[NH+](CC)CC)cc1 ZINC001462297812 1061085958 /nfs/dbraw/zinc/08/59/58/1061085958.db2.gz SVVRFHZATFIXOD-BURNTYAHSA-N 2 2 314.517 4.410 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)[NH+](CC)CC)cc1 ZINC001462297813 1061087719 /nfs/dbraw/zinc/08/77/19/1061087719.db2.gz SVVRFHZATFIXOD-TUFLPTIASA-N 2 2 314.517 4.410 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462338176 1061115387 /nfs/dbraw/zinc/11/53/87/1061115387.db2.gz HURHGZXNCBLZFQ-MTFMMBMASA-N 2 2 316.464 4.225 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462338176 1061115391 /nfs/dbraw/zinc/11/53/91/1061115391.db2.gz HURHGZXNCBLZFQ-MTFMMBMASA-N 2 2 316.464 4.225 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001462387488 1061143630 /nfs/dbraw/zinc/14/36/30/1061143630.db2.gz QDXVCELPUWZAPD-VAMGGRTRSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001462387488 1061143638 /nfs/dbraw/zinc/14/36/38/1061143638.db2.gz QDXVCELPUWZAPD-VAMGGRTRSA-N 2 2 300.490 4.004 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1 ZINC001462408053 1061154214 /nfs/dbraw/zinc/15/42/14/1061154214.db2.gz LRNVAPOOHLQHTL-HKBOAZHASA-N 2 2 314.517 4.457 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1 ZINC001462408053 1061154222 /nfs/dbraw/zinc/15/42/22/1061154222.db2.gz LRNVAPOOHLQHTL-HKBOAZHASA-N 2 2 314.517 4.457 20 0 DIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462431961 1061170010 /nfs/dbraw/zinc/17/00/10/1061170010.db2.gz WNACMWFLEPMXAJ-DOTOQJQBSA-N 2 2 320.546 4.192 20 0 DIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462431961 1061170034 /nfs/dbraw/zinc/17/00/34/1061170034.db2.gz WNACMWFLEPMXAJ-DOTOQJQBSA-N 2 2 320.546 4.192 20 0 DIADLP CCC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462498323 1061213368 /nfs/dbraw/zinc/21/33/68/1061213368.db2.gz XMYXNXAVJQOARL-IEBWSBKVSA-N 2 2 302.506 4.455 20 0 DIADLP CCC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462498323 1061213386 /nfs/dbraw/zinc/21/33/86/1061213386.db2.gz XMYXNXAVJQOARL-IEBWSBKVSA-N 2 2 302.506 4.455 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001473928648 1061475987 /nfs/dbraw/zinc/47/59/87/1061475987.db2.gz YHWVLUXTMUXZQQ-UHFFFAOYSA-N 2 2 322.802 4.179 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001473928648 1061475997 /nfs/dbraw/zinc/47/59/97/1061475997.db2.gz YHWVLUXTMUXZQQ-UHFFFAOYSA-N 2 2 322.802 4.179 20 0 DIADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001473950896 1061491895 /nfs/dbraw/zinc/49/18/95/1061491895.db2.gz YRFJVLVCFQCQOT-HKUYNNGSSA-N 2 2 313.489 4.156 20 0 DIADLP CC(C)CCC[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001473952875 1061495271 /nfs/dbraw/zinc/49/52/71/1061495271.db2.gz TVEYVNWZAFZERW-HXUWFJFHSA-N 2 2 302.506 4.485 20 0 DIADLP Fc1cc(C[NH2+]Cc2cccc3ccoc32)ccc1-n1cc[nH+]c1 ZINC001473955688 1061496828 /nfs/dbraw/zinc/49/68/28/1061496828.db2.gz MAFRCGUKISJDPT-UHFFFAOYSA-N 2 2 321.355 4.047 20 0 DIADLP CC(C)[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC001473958490 1061498151 /nfs/dbraw/zinc/49/81/51/1061498151.db2.gz CCLXBUUGEGDWMF-HXUWFJFHSA-N 2 2 319.452 4.402 20 0 DIADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001474031307 1061573885 /nfs/dbraw/zinc/57/38/85/1061573885.db2.gz XRMIYXVJVGQAAS-HNJRGHQBSA-N 2 2 300.490 4.033 20 0 DIADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001474031307 1061573902 /nfs/dbraw/zinc/57/39/02/1061573902.db2.gz XRMIYXVJVGQAAS-HNJRGHQBSA-N 2 2 300.490 4.033 20 0 DIADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474088275 1061633891 /nfs/dbraw/zinc/63/38/91/1061633891.db2.gz ZHNRDLWZZDCTPZ-IFXJQAMLSA-N 2 2 323.465 4.347 20 0 DIADLP C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001474100600 1061648045 /nfs/dbraw/zinc/64/80/45/1061648045.db2.gz VPMOVFUCXCNIBW-JZLODUJNSA-N 2 2 303.409 4.236 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CCC2(CC2)CC1 ZINC001474158592 1061700259 /nfs/dbraw/zinc/70/02/59/1061700259.db2.gz QJIFOARCAPKKPG-UHFFFAOYSA-N 2 2 315.848 4.338 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001474158297 1061701025 /nfs/dbraw/zinc/70/10/25/1061701025.db2.gz FXSFTRRYWLDOJB-FICVDOATSA-N 2 2 315.848 4.194 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@@H]3CCCc4ccccc43)c2)c[nH+]1 ZINC001474287536 1061854799 /nfs/dbraw/zinc/85/47/99/1061854799.db2.gz LSUHSOZRLTZCIO-GOSISDBHSA-N 2 2 309.438 4.101 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317162 1061891883 /nfs/dbraw/zinc/89/18/83/1061891883.db2.gz JGNBGFIUXHJVLJ-RHSMWYFYSA-N 2 2 306.494 4.190 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317162 1061891901 /nfs/dbraw/zinc/89/19/01/1061891901.db2.gz JGNBGFIUXHJVLJ-RHSMWYFYSA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317162 1061891921 /nfs/dbraw/zinc/89/19/21/1061891921.db2.gz JGNBGFIUXHJVLJ-RHSMWYFYSA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317162 1061891942 /nfs/dbraw/zinc/89/19/42/1061891942.db2.gz JGNBGFIUXHJVLJ-RHSMWYFYSA-N 2 2 306.494 4.190 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001254498520 1062140875 /nfs/dbraw/zinc/14/08/75/1062140875.db2.gz MHPJMAYIJYQFIQ-IBGZPJMESA-N 2 2 311.473 4.322 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001474496805 1062175774 /nfs/dbraw/zinc/17/57/74/1062175774.db2.gz PUYBTMNLEUQBNJ-PKOBYXMFSA-N 2 2 320.908 4.268 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001474496805 1062175786 /nfs/dbraw/zinc/17/57/86/1062175786.db2.gz PUYBTMNLEUQBNJ-PKOBYXMFSA-N 2 2 320.908 4.268 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCSCc1ccccc1 ZINC001474538538 1062226434 /nfs/dbraw/zinc/22/64/34/1062226434.db2.gz VEQHNFHSNMMXFB-IBGZPJMESA-N 2 2 320.546 4.020 20 0 DIADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558548 1062260551 /nfs/dbraw/zinc/26/05/51/1062260551.db2.gz RABSNMAJZFETRA-CABCVRRESA-N 2 2 300.421 4.114 20 0 DIADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558548 1062260572 /nfs/dbraw/zinc/26/05/72/1062260572.db2.gz RABSNMAJZFETRA-CABCVRRESA-N 2 2 300.421 4.114 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254847566 1062265199 /nfs/dbraw/zinc/26/51/99/1062265199.db2.gz IBSDJIZAWGXSBP-NQIIRXRSSA-N 2 2 308.469 4.365 20 0 DIADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474651663 1062380033 /nfs/dbraw/zinc/38/00/33/1062380033.db2.gz WVLHRIAHXGINGF-FUHIMQAGSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474651663 1062380050 /nfs/dbraw/zinc/38/00/50/1062380050.db2.gz WVLHRIAHXGINGF-FUHIMQAGSA-N 2 2 300.490 4.065 20 0 DIADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(C(C)(C)C)oc2C)CC1 ZINC001474657007 1062388317 /nfs/dbraw/zinc/38/83/17/1062388317.db2.gz SGOOHUPAENZXCH-UHFFFAOYSA-N 2 2 306.494 4.192 20 0 DIADLP CCc1cccc2cc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)oc21 ZINC001474682592 1062413613 /nfs/dbraw/zinc/41/36/13/1062413613.db2.gz MYSKJWJFVPPZMV-UHFFFAOYSA-N 2 2 312.457 4.055 20 0 DIADLP CC(C)C1CCC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC001474712056 1062440431 /nfs/dbraw/zinc/44/04/31/1062440431.db2.gz KFVHHVZAGUOOCQ-UHFFFAOYSA-N 2 2 315.505 4.420 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC001474740038 1062454886 /nfs/dbraw/zinc/45/48/86/1062454886.db2.gz KAXQGALPUISDOD-UHFFFAOYSA-N 2 2 318.436 4.105 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC001474740038 1062454896 /nfs/dbraw/zinc/45/48/96/1062454896.db2.gz KAXQGALPUISDOD-UHFFFAOYSA-N 2 2 318.436 4.105 20 0 DIADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001474744998 1062460437 /nfs/dbraw/zinc/46/04/37/1062460437.db2.gz NZEDTLACCFPWJX-CABCVRRESA-N 2 2 308.897 4.154 20 0 DIADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001474744998 1062460443 /nfs/dbraw/zinc/46/04/43/1062460443.db2.gz NZEDTLACCFPWJX-CABCVRRESA-N 2 2 308.897 4.154 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2CCC(C(F)(F)F)CC2)c1 ZINC001255513394 1062468822 /nfs/dbraw/zinc/46/88/22/1062468822.db2.gz GDJJBGHGOYQGTI-UHFFFAOYSA-N 2 2 323.362 4.302 20 0 DIADLP CC(C)c1ccc([C@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC001459888192 1062473203 /nfs/dbraw/zinc/47/32/03/1062473203.db2.gz FBZAAICNCPTQSD-HXUWFJFHSA-N 2 2 311.473 4.313 20 0 DIADLP CC(C)c1ccc([C@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC001459888192 1062473227 /nfs/dbraw/zinc/47/32/27/1062473227.db2.gz FBZAAICNCPTQSD-HXUWFJFHSA-N 2 2 311.473 4.313 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC001255701351 1062526116 /nfs/dbraw/zinc/52/61/16/1062526116.db2.gz PHVUUFRAKUOKOB-HUUCEWRRSA-N 2 2 323.362 4.302 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255877293 1062646455 /nfs/dbraw/zinc/64/64/55/1062646455.db2.gz FQWDOBWXDWEGPH-INIZCTEOSA-N 2 2 323.415 4.074 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255877293 1062646469 /nfs/dbraw/zinc/64/64/69/1062646469.db2.gz FQWDOBWXDWEGPH-INIZCTEOSA-N 2 2 323.415 4.074 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001255942841 1062665156 /nfs/dbraw/zinc/66/51/56/1062665156.db2.gz BLBHHQNKLNSKMQ-GFCCVEGCSA-N 2 2 320.374 4.055 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC001255944352 1062665640 /nfs/dbraw/zinc/66/56/40/1062665640.db2.gz UTXOEXVKRIZUQK-GFCCVEGCSA-N 2 2 303.277 4.203 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001255945378 1062666614 /nfs/dbraw/zinc/66/66/14/1062666614.db2.gz KULIDFPDPLYYRZ-LBPRGKRZSA-N 2 2 320.374 4.055 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001255944147 1062666796 /nfs/dbraw/zinc/66/67/96/1062666796.db2.gz RZEFLPMASICWAO-LBPRGKRZSA-N 2 2 320.374 4.055 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)s1 ZINC001256078689 1062699290 /nfs/dbraw/zinc/69/92/90/1062699290.db2.gz CSHYLEQDTDNGLD-AWEZNQCLSA-N 2 2 310.894 4.165 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)s1 ZINC001256078689 1062699299 /nfs/dbraw/zinc/69/92/99/1062699299.db2.gz CSHYLEQDTDNGLD-AWEZNQCLSA-N 2 2 310.894 4.165 20 0 DIADLP c1cn(C2CC[NH+]([C@@H]3CCC[C@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001256120536 1062720833 /nfs/dbraw/zinc/72/08/33/1062720833.db2.gz FEWVQVIASMETBK-AZUAARDMSA-N 2 2 309.457 4.246 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001256525921 1062846595 /nfs/dbraw/zinc/84/65/95/1062846595.db2.gz HDNZFWWNFJXASC-HOJAQTOUSA-N 2 2 323.484 4.175 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001256525921 1062846620 /nfs/dbraw/zinc/84/66/20/1062846620.db2.gz HDNZFWWNFJXASC-HOJAQTOUSA-N 2 2 323.484 4.175 20 0 DIADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1 ZINC001460520273 1062895981 /nfs/dbraw/zinc/89/59/81/1062895981.db2.gz YHYGWTYPZLOLHE-UHFFFAOYSA-N 2 2 323.843 4.224 20 0 DIADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1 ZINC001460520273 1062896006 /nfs/dbraw/zinc/89/60/06/1062896006.db2.gz YHYGWTYPZLOLHE-UHFFFAOYSA-N 2 2 323.843 4.224 20 0 DIADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001256577721 1062900971 /nfs/dbraw/zinc/90/09/71/1062900971.db2.gz RRMHMFPNDZYQCB-GOSISDBHSA-N 2 2 322.443 4.365 20 0 DIADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001256577721 1062900985 /nfs/dbraw/zinc/90/09/85/1062900985.db2.gz RRMHMFPNDZYQCB-GOSISDBHSA-N 2 2 322.443 4.365 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)o1 ZINC001256600066 1062909504 /nfs/dbraw/zinc/90/95/04/1062909504.db2.gz LEYFBCRMYGVPKJ-LJQANCHMSA-N 2 2 312.457 4.293 20 0 DIADLP CCC[C@@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611000 1062918025 /nfs/dbraw/zinc/91/80/25/1062918025.db2.gz KHKXNFVCIFQXRA-LJQANCHMSA-N 2 2 300.490 4.306 20 0 DIADLP CCC[C@@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611000 1062918045 /nfs/dbraw/zinc/91/80/45/1062918045.db2.gz KHKXNFVCIFQXRA-LJQANCHMSA-N 2 2 300.490 4.306 20 0 DIADLP CCC[C@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256610999 1062920486 /nfs/dbraw/zinc/92/04/86/1062920486.db2.gz KHKXNFVCIFQXRA-IBGZPJMESA-N 2 2 300.490 4.306 20 0 DIADLP CCC[C@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256610999 1062920503 /nfs/dbraw/zinc/92/05/03/1062920503.db2.gz KHKXNFVCIFQXRA-IBGZPJMESA-N 2 2 300.490 4.306 20 0 DIADLP CCC[NH+](CCC)CCC[NH2+]Cc1cc(Cl)ccc1F ZINC001460991649 1063172370 /nfs/dbraw/zinc/17/23/70/1063172370.db2.gz LXSOBBAPHXQIFA-UHFFFAOYSA-N 2 2 300.849 4.081 20 0 DIADLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H]2CC=CCC2)c2ccccc2)CC1 ZINC001461093237 1063248565 /nfs/dbraw/zinc/24/85/65/1063248565.db2.gz VZDPERFOFSMMCW-TZIWHRDSSA-N 2 2 312.501 4.406 20 0 DIADLP CCC(C)(C)C1CCC([N@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001257407673 1063258954 /nfs/dbraw/zinc/25/89/54/1063258954.db2.gz MLCIARMYANJCOT-UHFFFAOYSA-N 2 2 324.553 4.024 20 0 DIADLP CCC(C)(C)C1CCC([N@@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001257407673 1063258967 /nfs/dbraw/zinc/25/89/67/1063258967.db2.gz MLCIARMYANJCOT-UHFFFAOYSA-N 2 2 324.553 4.024 20 0 DIADLP CCCC[C@@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257421455 1063268350 /nfs/dbraw/zinc/26/83/50/1063268350.db2.gz OICWHGZCTOFXJO-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257421455 1063268373 /nfs/dbraw/zinc/26/83/73/1063268373.db2.gz OICWHGZCTOFXJO-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257421455 1063268393 /nfs/dbraw/zinc/26/83/93/1063268393.db2.gz OICWHGZCTOFXJO-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257421455 1063268419 /nfs/dbraw/zinc/26/84/19/1063268419.db2.gz OICWHGZCTOFXJO-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422571 1063269547 /nfs/dbraw/zinc/26/95/47/1063269547.db2.gz UNFNHYYXOPLRKF-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422571 1063269555 /nfs/dbraw/zinc/26/95/55/1063269555.db2.gz UNFNHYYXOPLRKF-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257422571 1063269573 /nfs/dbraw/zinc/26/95/73/1063269573.db2.gz UNFNHYYXOPLRKF-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257422571 1063269585 /nfs/dbraw/zinc/26/95/85/1063269585.db2.gz UNFNHYYXOPLRKF-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC001257452941 1063284864 /nfs/dbraw/zinc/28/48/64/1063284864.db2.gz YEWWSZMHCQWJTQ-UHFFFAOYSA-N 2 2 304.453 4.021 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001257465321 1063286697 /nfs/dbraw/zinc/28/66/97/1063286697.db2.gz ZOMQKMPGISOISG-MSOLQXFVSA-N 2 2 302.506 4.313 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257470164 1063290938 /nfs/dbraw/zinc/29/09/38/1063290938.db2.gz FVKVRXRMZNXMQT-QZTJIDSGSA-N 2 2 317.521 4.493 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC001461224934 1063347484 /nfs/dbraw/zinc/34/74/84/1063347484.db2.gz WZVINZXCRJAPEO-VPVJOJIASA-N 2 2 324.443 4.093 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC001461224934 1063347497 /nfs/dbraw/zinc/34/74/97/1063347497.db2.gz WZVINZXCRJAPEO-VPVJOJIASA-N 2 2 324.443 4.093 20 0 DIADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001257995467 1063454218 /nfs/dbraw/zinc/45/42/18/1063454218.db2.gz RHQUMUGZLBRXLL-MHJFOBGBSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001257995467 1063454237 /nfs/dbraw/zinc/45/42/37/1063454237.db2.gz RHQUMUGZLBRXLL-MHJFOBGBSA-N 2 2 300.490 4.033 20 0 DIADLP c1cn(C2CCC(c3ccccc3)CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001257998661 1063455751 /nfs/dbraw/zinc/45/57/51/1063455751.db2.gz MJILFQTUMYKFTP-XBMUEBEBSA-N 2 2 309.457 4.249 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001461430366 1063495975 /nfs/dbraw/zinc/49/59/75/1063495975.db2.gz LNGYFYKLWICLCV-HNNXBMFYSA-N 2 2 324.896 4.093 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258086742 1063510632 /nfs/dbraw/zinc/51/06/32/1063510632.db2.gz YIAHTFPDXJNDKF-QGZVFWFLSA-N 2 2 316.489 4.081 20 0 DIADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H]3c3ccccc3)CC2)cc1 ZINC001258147889 1063533604 /nfs/dbraw/zinc/53/36/04/1063533604.db2.gz VRPTXCFWNISTOC-QFIPXVFZSA-N 2 2 320.480 4.141 20 0 DIADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H]3c3ccccc3)CC2)cc1 ZINC001258147889 1063533619 /nfs/dbraw/zinc/53/36/19/1063533619.db2.gz VRPTXCFWNISTOC-QFIPXVFZSA-N 2 2 320.480 4.141 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC001258160018 1063536735 /nfs/dbraw/zinc/53/67/35/1063536735.db2.gz PGXOWIXWQWQWKB-WGMWDUQUSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC001258160018 1063536751 /nfs/dbraw/zinc/53/67/51/1063536751.db2.gz PGXOWIXWQWQWKB-WGMWDUQUSA-N 2 2 314.517 4.408 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC1(C)C ZINC001461617900 1063616861 /nfs/dbraw/zinc/61/68/61/1063616861.db2.gz UCTFAEOPLWZEAF-CQSZACIVSA-N 2 2 306.881 4.182 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)CC1(C)C ZINC001461617900 1063616870 /nfs/dbraw/zinc/61/68/70/1063616870.db2.gz UCTFAEOPLWZEAF-CQSZACIVSA-N 2 2 306.881 4.182 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001461683787 1063656061 /nfs/dbraw/zinc/65/60/61/1063656061.db2.gz QZUQXLODAAYBGW-LJQBUTKESA-N 2 2 318.892 4.350 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001461683787 1063656068 /nfs/dbraw/zinc/65/60/68/1063656068.db2.gz QZUQXLODAAYBGW-LJQBUTKESA-N 2 2 318.892 4.350 20 0 DIADLP CCCCC[C@H](CC)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258444228 1063656521 /nfs/dbraw/zinc/65/65/21/1063656521.db2.gz UVGBEZNUNLWANU-HNNXBMFYSA-N 2 2 307.457 4.138 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC001258599017 1063702374 /nfs/dbraw/zinc/70/23/74/1063702374.db2.gz PPLUSTZERMXPTP-SFHVURJKSA-N 2 2 318.480 4.267 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258609820 1063710998 /nfs/dbraw/zinc/71/09/98/1063710998.db2.gz ZRXKYNVOGHITHX-GOSISDBHSA-N 2 2 318.480 4.301 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258609820 1063711009 /nfs/dbraw/zinc/71/10/09/1063711009.db2.gz ZRXKYNVOGHITHX-GOSISDBHSA-N 2 2 318.480 4.301 20 0 DIADLP CCCCC[C@H](CCC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001258664698 1063733548 /nfs/dbraw/zinc/73/35/48/1063733548.db2.gz PPPJWWHEEKUDBL-KRWDZBQOSA-N 2 2 303.494 4.389 20 0 DIADLP CCCCC[C@@H](CCC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258674122 1063742561 /nfs/dbraw/zinc/74/25/61/1063742561.db2.gz RKKZVJJZCUNJIY-QGZVFWFLSA-N 2 2 303.494 4.389 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC001258686575 1063752337 /nfs/dbraw/zinc/75/23/37/1063752337.db2.gz ATRWHASYYAWWQP-FUHWJXTLSA-N 2 2 315.505 4.102 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC001258749623 1063797407 /nfs/dbraw/zinc/79/74/07/1063797407.db2.gz LMFDHZABTBXPSA-HNNXBMFYSA-N 2 2 308.897 4.077 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2cccc(Cl)c2)CC1 ZINC001258749625 1063798985 /nfs/dbraw/zinc/79/89/85/1063798985.db2.gz LMFDHZABTBXPSA-OAHLLOKOSA-N 2 2 308.897 4.077 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC001258812328 1063843314 /nfs/dbraw/zinc/84/33/14/1063843314.db2.gz DQZRFCOJIQVIAM-HNAYVOBHSA-N 2 2 318.480 4.267 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC001258815585 1063846566 /nfs/dbraw/zinc/84/65/66/1063846566.db2.gz YVEVFXMOENHGGB-QRWLVFNGSA-N 2 2 318.480 4.267 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535919 1063887143 /nfs/dbraw/zinc/88/71/43/1063887143.db2.gz RBKIWVOXZMVTKW-WMLDXEAASA-N 2 2 300.471 4.160 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535919 1063887160 /nfs/dbraw/zinc/88/71/60/1063887160.db2.gz RBKIWVOXZMVTKW-WMLDXEAASA-N 2 2 300.471 4.160 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535917 1063887640 /nfs/dbraw/zinc/88/76/40/1063887640.db2.gz RBKIWVOXZMVTKW-PBHICJAKSA-N 2 2 300.471 4.160 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535917 1063887653 /nfs/dbraw/zinc/88/76/53/1063887653.db2.gz RBKIWVOXZMVTKW-PBHICJAKSA-N 2 2 300.471 4.160 20 0 DIADLP c1c2ccccc2oc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000571038328 1063951243 /nfs/dbraw/zinc/95/12/43/1063951243.db2.gz JKAPGLYXCMQNMN-MJGOQNOKSA-N 2 2 306.409 4.016 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000379868087 1063988194 /nfs/dbraw/zinc/98/81/94/1063988194.db2.gz NYHDAWTWJNNLBH-KRWDZBQOSA-N 2 2 324.468 4.010 20 0 DIADLP Cn1c[nH+]cc1CC[NH+](CC1CCCCC1)CC1CCCCC1 ZINC001307428625 1065389711 /nfs/dbraw/zinc/38/97/11/1065389711.db2.gz RKGWVDOZCZFDSV-UHFFFAOYSA-N 2 2 317.521 4.425 20 0 DIADLP C(=C\c1ccccc1)\CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307677264 1065555382 /nfs/dbraw/zinc/55/53/82/1065555382.db2.gz XNSJYACMIOXBGL-WTKPLQERSA-N 2 2 323.484 4.479 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001307707432 1065576443 /nfs/dbraw/zinc/57/64/43/1065576443.db2.gz WZEMCWCEGAMCGZ-APWZRJJASA-N 2 2 311.473 4.485 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001307707434 1065577893 /nfs/dbraw/zinc/57/78/93/1065577893.db2.gz WZEMCWCEGAMCGZ-LPHOPBHVSA-N 2 2 311.473 4.485 20 0 DIADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)CC1 ZINC001308003161 1065720386 /nfs/dbraw/zinc/72/03/86/1065720386.db2.gz SIEAPVBQNHCLCW-IBGZPJMESA-N 2 2 322.443 4.051 20 0 DIADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)CC1 ZINC001308003161 1065720392 /nfs/dbraw/zinc/72/03/92/1065720392.db2.gz SIEAPVBQNHCLCW-IBGZPJMESA-N 2 2 322.443 4.051 20 0 DIADLP Cc1cc(C)c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC001308033070 1065734182 /nfs/dbraw/zinc/73/41/82/1065734182.db2.gz KDASTGQVOLIWST-NRFANRHFSA-N 2 2 319.452 4.339 20 0 DIADLP c1cn(Cc2cccc(C[NH2+]C3CCC(C4CCC4)CC3)c2)c[nH+]1 ZINC001308194830 1065803843 /nfs/dbraw/zinc/80/38/43/1065803843.db2.gz QWVQQAIZWOKULT-UHFFFAOYSA-N 2 2 323.484 4.380 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308220502 1065826003 /nfs/dbraw/zinc/82/60/03/1065826003.db2.gz BRIFPZRQFUWZDU-IAGOWNOFSA-N 2 2 315.436 4.316 20 0 DIADLP COC1(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCCCC1 ZINC001308262514 1065863658 /nfs/dbraw/zinc/86/36/58/1065863658.db2.gz ONSPMTISVHIDGU-QGZVFWFLSA-N 2 2 318.505 4.055 20 0 DIADLP CCC1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001308265607 1065865898 /nfs/dbraw/zinc/86/58/98/1065865898.db2.gz IBKVGIAPPGLSHY-UHFFFAOYSA-N 2 2 324.578 4.297 20 0 DIADLP CC[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274861 1065875118 /nfs/dbraw/zinc/87/51/18/1065875118.db2.gz OBORKGIYDFZUKH-IFMALSPDSA-N 2 2 322.496 4.434 20 0 DIADLP CC[C@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274861 1065875133 /nfs/dbraw/zinc/87/51/33/1065875133.db2.gz OBORKGIYDFZUKH-IFMALSPDSA-N 2 2 322.496 4.434 20 0 DIADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC001308295567 1065890810 /nfs/dbraw/zinc/89/08/10/1065890810.db2.gz SCLVDFVYGCEMRU-UHFFFAOYSA-N 2 2 324.871 4.366 20 0 DIADLP CC1(C)CC(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308373556 1065948474 /nfs/dbraw/zinc/94/84/74/1065948474.db2.gz AKBHJEGRHYWCEN-SFHVURJKSA-N 2 2 300.490 4.065 20 0 DIADLP CC1(C)CC(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308373556 1065948481 /nfs/dbraw/zinc/94/84/81/1065948481.db2.gz AKBHJEGRHYWCEN-SFHVURJKSA-N 2 2 300.490 4.065 20 0 DIADLP CC(C)[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC001308395333 1065961851 /nfs/dbraw/zinc/96/18/51/1065961851.db2.gz NYBOWDHOZVZLDR-UXHICEINSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001308395333 1065961865 /nfs/dbraw/zinc/96/18/65/1065961865.db2.gz NYBOWDHOZVZLDR-UXHICEINSA-N 2 2 300.490 4.033 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428402 1065982180 /nfs/dbraw/zinc/98/21/80/1065982180.db2.gz XMSCCYALFPJPBL-FUHWJXTLSA-N 2 2 302.506 4.454 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428402 1065982192 /nfs/dbraw/zinc/98/21/92/1065982192.db2.gz XMSCCYALFPJPBL-FUHWJXTLSA-N 2 2 302.506 4.454 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C(C2CCCCC2)C2CCCCC2)n1C ZINC001308499299 1066029445 /nfs/dbraw/zinc/02/94/45/1066029445.db2.gz CCLHQFNXYKHDHT-UHFFFAOYSA-N 2 2 303.494 4.347 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C2CCCC2)c1 ZINC001308575433 1066090505 /nfs/dbraw/zinc/09/05/05/1066090505.db2.gz CRSMTEVLHIYUTN-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C2CCCC2)c1 ZINC001308575433 1066090509 /nfs/dbraw/zinc/09/05/09/1066090509.db2.gz CRSMTEVLHIYUTN-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C2CCCC2)c1 ZINC001308575433 1066090513 /nfs/dbraw/zinc/09/05/13/1066090513.db2.gz CRSMTEVLHIYUTN-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C2CCCC2)c1 ZINC001308575433 1066090527 /nfs/dbraw/zinc/09/05/27/1066090527.db2.gz CRSMTEVLHIYUTN-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C3CC3)c(C3CC3)c2)CC1 ZINC001308632824 1066129106 /nfs/dbraw/zinc/12/91/06/1066129106.db2.gz MGGSRSDJMHSVRU-UHFFFAOYSA-N 2 2 312.501 4.404 20 0 DIADLP C[C@@H](C1CCCCC1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308735890 1066210873 /nfs/dbraw/zinc/21/08/73/1066210873.db2.gz UMSLWGVMTTYNIC-AWEZNQCLSA-N 2 2 303.475 4.334 20 0 DIADLP C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308735890 1066210882 /nfs/dbraw/zinc/21/08/82/1066210882.db2.gz UMSLWGVMTTYNIC-AWEZNQCLSA-N 2 2 303.475 4.334 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Oc2ccccc2)o1 ZINC001308745362 1066218739 /nfs/dbraw/zinc/21/87/39/1066218739.db2.gz WLCXGBFUUZMLBE-UHFFFAOYSA-N 2 2 316.445 4.236 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Oc2ccccc2)o1 ZINC001308745362 1066218745 /nfs/dbraw/zinc/21/87/45/1066218745.db2.gz WLCXGBFUUZMLBE-UHFFFAOYSA-N 2 2 316.445 4.236 20 0 DIADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC001308785725 1066258897 /nfs/dbraw/zinc/25/88/97/1066258897.db2.gz SEDIXDFYULVGTE-QEJZJMRPSA-N 2 2 315.848 4.050 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@H]1CSC[C@@H]1C)Cc1ccccc1 ZINC001308850553 1066329699 /nfs/dbraw/zinc/32/96/99/1066329699.db2.gz HGSPOHFXHAJWOJ-HKUYNNGSSA-N 2 2 320.546 4.020 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@H]1CSC[C@@H]1C)Cc1ccccc1 ZINC001308850553 1066329703 /nfs/dbraw/zinc/32/97/03/1066329703.db2.gz HGSPOHFXHAJWOJ-HKUYNNGSSA-N 2 2 320.546 4.020 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@@H]1CSC[C@H]1C)Cc1ccccc1 ZINC001308850555 1066330700 /nfs/dbraw/zinc/33/07/00/1066330700.db2.gz HGSPOHFXHAJWOJ-IEBWSBKVSA-N 2 2 320.546 4.020 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@@H]1CSC[C@H]1C)Cc1ccccc1 ZINC001308850555 1066330711 /nfs/dbraw/zinc/33/07/11/1066330711.db2.gz HGSPOHFXHAJWOJ-IEBWSBKVSA-N 2 2 320.546 4.020 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308851714 1066331792 /nfs/dbraw/zinc/33/17/92/1066331792.db2.gz LPOVFOCTCGFULT-BTHPGYMESA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308851714 1066331811 /nfs/dbraw/zinc/33/18/11/1066331811.db2.gz LPOVFOCTCGFULT-BTHPGYMESA-N 2 2 314.517 4.311 20 0 DIADLP C([NH2+][C@@H]1CCCCC12CCCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864220 1066343815 /nfs/dbraw/zinc/34/38/15/1066343815.db2.gz MKDFNDQYELDUSE-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@@H]1CCCCC12CCCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001308864220 1066343833 /nfs/dbraw/zinc/34/38/33/1066343833.db2.gz MKDFNDQYELDUSE-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864217 1066344065 /nfs/dbraw/zinc/34/40/65/1066344065.db2.gz MKDFNDQYELDUSE-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001308864217 1066344080 /nfs/dbraw/zinc/34/40/80/1066344080.db2.gz MKDFNDQYELDUSE-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001308983008 1066431284 /nfs/dbraw/zinc/43/12/84/1066431284.db2.gz JCTRMYNWYBZVBA-SJORKVTESA-N 2 2 301.478 4.174 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001308983008 1066431289 /nfs/dbraw/zinc/43/12/89/1066431289.db2.gz JCTRMYNWYBZVBA-SJORKVTESA-N 2 2 301.478 4.174 20 0 DIADLP CCc1oc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648606 185331220 /nfs/dbraw/zinc/33/12/20/185331220.db2.gz OZQHEARTOCJKEV-UHFFFAOYSA-N 2 2 309.413 4.029 20 0 DIADLP Clc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000092659255 185331841 /nfs/dbraw/zinc/33/18/41/185331841.db2.gz BIJFHYPECUZBIH-UHFFFAOYSA-N 2 2 310.228 4.027 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000391583350 335003451 /nfs/dbraw/zinc/00/34/51/335003451.db2.gz UQSUUTFFLJKMHU-OAQYLSRUSA-N 2 2 321.468 4.341 20 0 DIADLP Cc1cc(NCc2[nH+]ccn2CC(C)C)c2cc(F)ccc2[nH+]1 ZINC000135304740 335029262 /nfs/dbraw/zinc/02/92/62/335029262.db2.gz OJAKCIZBFGYYLO-UHFFFAOYSA-N 2 2 312.392 4.147 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272478317 130034433 /nfs/dbraw/zinc/03/44/33/130034433.db2.gz ASQCONVZMOAFGK-CQSZACIVSA-N 2 2 314.395 4.062 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272635158 130048733 /nfs/dbraw/zinc/04/87/33/130048733.db2.gz BOBPLZXAOYYMED-QLFBSQMISA-N 2 2 321.896 4.039 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272635158 130048734 /nfs/dbraw/zinc/04/87/34/130048734.db2.gz BOBPLZXAOYYMED-QLFBSQMISA-N 2 2 321.896 4.039 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)C[C@@H]1c1ccccc1 ZINC000340176414 131001294 /nfs/dbraw/zinc/00/12/94/131001294.db2.gz YNYPNLAAWMBAGG-YTQUADARSA-N 2 2 310.441 4.082 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3occc32)C[C@@H]1c1ccccc1 ZINC000340176414 131001296 /nfs/dbraw/zinc/00/12/96/131001296.db2.gz YNYPNLAAWMBAGG-YTQUADARSA-N 2 2 310.441 4.082 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000289209906 131366331 /nfs/dbraw/zinc/36/63/31/131366331.db2.gz IMPKUGRGPZCAMM-GJZGRUSLSA-N 2 2 300.368 4.033 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000320549511 335082308 /nfs/dbraw/zinc/08/23/08/335082308.db2.gz CVCJZQIFCMNQRI-SFHVURJKSA-N 2 2 305.425 4.012 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](CNc1[nH+]c3ccccc3cc1C)CCC2 ZINC000533560906 435245535 /nfs/dbraw/zinc/24/55/35/435245535.db2.gz MCKSBPLCNVHZNQ-INIZCTEOSA-N 2 2 306.413 4.038 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H](C)CC(C)(C)c3ccccc3)c[nH+]c12 ZINC000462367198 332864353 /nfs/dbraw/zinc/86/43/53/332864353.db2.gz ZCQWIZQREJIFHI-QGZVFWFLSA-N 2 2 321.468 4.489 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000584199776 331860656 /nfs/dbraw/zinc/86/06/56/331860656.db2.gz XEUMZZIQJWJSER-YLJYHZDGSA-N 2 2 312.432 4.388 20 0 DIADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCCCC2 ZINC000558404272 331903038 /nfs/dbraw/zinc/90/30/38/331903038.db2.gz FAJOLAVMSRPZJW-MOPGFXCFSA-N 2 2 316.489 4.040 20 0 DIADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1Cl ZINC000313250875 331921338 /nfs/dbraw/zinc/92/13/38/331921338.db2.gz DQXFZXJGABPQNX-HNNXBMFYSA-N 2 2 312.244 4.010 20 0 DIADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000569410961 332078286 /nfs/dbraw/zinc/07/82/86/332078286.db2.gz PHQCTEGXKMJJOY-LPHOPBHVSA-N 2 2 311.473 4.236 20 0 DIADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(-c3ccccc3)c1)CCCC2 ZINC000560071025 332308704 /nfs/dbraw/zinc/30/87/04/332308704.db2.gz LGERLBLALNSFSM-UHFFFAOYSA-N 2 2 317.436 4.176 20 0 DIADLP C[C@@H](CCC(C)(C)C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000560244313 332322617 /nfs/dbraw/zinc/32/26/17/332322617.db2.gz CBEKFLPIUPRHLM-HNNXBMFYSA-N 2 2 301.478 4.310 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000560389172 332336027 /nfs/dbraw/zinc/33/60/27/332336027.db2.gz VTFCGOQSAFSWPM-NEPJUHHUSA-N 2 2 324.255 4.277 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000560389172 332336028 /nfs/dbraw/zinc/33/60/28/332336028.db2.gz VTFCGOQSAFSWPM-NEPJUHHUSA-N 2 2 324.255 4.277 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000560528240 332351680 /nfs/dbraw/zinc/35/16/80/332351680.db2.gz OSRGUOIAHSAUHU-SJORKVTESA-N 2 2 311.473 4.170 20 0 DIADLP CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119731573 332377151 /nfs/dbraw/zinc/37/71/51/332377151.db2.gz UWPNHQPFZTUVOL-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CCC2)cc1 ZINC000427604949 332460077 /nfs/dbraw/zinc/46/00/77/332460077.db2.gz UQHJNKOIRKPJRW-NRFANRHFSA-N 2 2 319.452 4.316 20 0 DIADLP CCCC[C@H](C)[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000561773148 332494125 /nfs/dbraw/zinc/49/41/25/332494125.db2.gz YLOVTENIZOTMKP-ZWKOTPCHSA-N 2 2 313.489 4.278 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccccc2)c1 ZINC000427852571 332541873 /nfs/dbraw/zinc/54/18/73/332541873.db2.gz FYPIWXBFOXMARN-UZLBHIALSA-N 2 2 317.436 4.216 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccs2)cc1 ZINC000427878331 332552436 /nfs/dbraw/zinc/55/24/36/332552436.db2.gz QMWYWBOGAOXYEH-PBHICJAKSA-N 2 2 323.465 4.277 20 0 DIADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000248199138 332579645 /nfs/dbraw/zinc/57/96/45/332579645.db2.gz YBBDMETXOAIYFX-QILLFSRXSA-N 2 2 315.486 4.197 20 0 DIADLP C[C@@H](CC[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000580181250 332988358 /nfs/dbraw/zinc/98/83/58/332988358.db2.gz SSFDNAHIJPZDKG-KRWDZBQOSA-N 2 2 305.425 4.156 20 0 DIADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000019231998 333260697 /nfs/dbraw/zinc/26/06/97/333260697.db2.gz CWFPONHXVXULBY-GFCCVEGCSA-N 2 2 301.261 4.130 20 0 DIADLP C[C@H](c1cccc2ccccc21)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000531188319 333319681 /nfs/dbraw/zinc/31/96/81/333319681.db2.gz XXMJEHVBXIEEMO-MRXNPFEDSA-N 2 2 305.425 4.434 20 0 DIADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000221831680 333368557 /nfs/dbraw/zinc/36/85/57/333368557.db2.gz DBIBIQLQXBXATN-LBPRGKRZSA-N 2 2 301.261 4.130 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)c2sccc21 ZINC000565404471 333475878 /nfs/dbraw/zinc/47/58/78/333475878.db2.gz CHHRNSXMNRXHTF-WFASDCNBSA-N 2 2 301.459 4.009 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)CCC2 ZINC000531733049 333551002 /nfs/dbraw/zinc/55/10/02/333551002.db2.gz AJJVSJHAFVVKTP-XUVXKRRUSA-N 2 2 323.484 4.385 20 0 DIADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000563574860 333628336 /nfs/dbraw/zinc/62/83/36/333628336.db2.gz SGLIIEAGTKESJA-XLIONFOSSA-N 2 2 323.484 4.056 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000152252075 333651195 /nfs/dbraw/zinc/65/11/95/333651195.db2.gz IUPDNHQPSPSESP-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000152268116 333654426 /nfs/dbraw/zinc/65/44/26/333654426.db2.gz APAYRIIOGLTUMP-AWEZNQCLSA-N 2 2 311.454 4.347 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414055960 333888259 /nfs/dbraw/zinc/88/82/59/333888259.db2.gz PEXHMDYJKMTTEN-OAHLLOKOSA-N 2 2 317.502 4.193 20 0 DIADLP Cn1c[nH+]c(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000414123089 333898484 /nfs/dbraw/zinc/89/84/84/333898484.db2.gz JDSAZAMGZCHLLN-SFHVURJKSA-N 2 2 317.864 4.137 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000343526501 335174843 /nfs/dbraw/zinc/17/48/43/335174843.db2.gz JRIFTSPHGMBXHH-HRAATJIYSA-N 2 2 317.436 4.270 20 0 DIADLP C[NH2+]C1CC[NH+](Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000414673635 334065793 /nfs/dbraw/zinc/06/57/93/334065793.db2.gz PAQSRRZVBJJAHU-UHFFFAOYSA-N 2 2 312.482 4.022 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000414845441 334115945 /nfs/dbraw/zinc/11/59/45/334115945.db2.gz LWQCZTSKVFOPJS-HXUWFJFHSA-N 2 2 319.452 4.148 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CCC(F)(F)F)cc1 ZINC000414850497 334123345 /nfs/dbraw/zinc/12/33/45/334123345.db2.gz SJNBEVFGSUNKTC-IUODEOHRSA-N 2 2 302.384 4.130 20 0 DIADLP Cc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cs1 ZINC000294657157 334212043 /nfs/dbraw/zinc/21/20/43/334212043.db2.gz ADXYBARBLOZLCZ-MOPGFXCFSA-N 2 2 323.465 4.271 20 0 DIADLP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCC(C)CC3)cc2)c2[nH+]ccn21 ZINC000296329195 334231821 /nfs/dbraw/zinc/23/18/21/334231821.db2.gz GEJYVZSESOUYQY-MAUKXSAKSA-N 2 2 310.445 4.237 20 0 DIADLP CC(C)c1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000531941824 334301778 /nfs/dbraw/zinc/30/17/78/334301778.db2.gz CQNHCSVOMRRNEP-MRXNPFEDSA-N 2 2 307.441 4.351 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc(C)c1F ZINC000531951704 334309581 /nfs/dbraw/zinc/30/95/81/334309581.db2.gz HUJOOJJLUZXLDV-MRXNPFEDSA-N 2 2 323.415 4.479 20 0 DIADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(OC(C)(C)C)c1 ZINC000531977558 334349087 /nfs/dbraw/zinc/34/90/87/334349087.db2.gz KNKPCJAFLPVCCB-UHFFFAOYSA-N 2 2 318.505 4.135 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000049554214 334349915 /nfs/dbraw/zinc/34/99/15/334349915.db2.gz AHYJMZPRKBMYLY-VHSXEESVSA-N 2 2 307.240 4.123 20 0 DIADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cnccc1C)[NH+](C)C ZINC000443222374 338447924 /nfs/dbraw/zinc/44/79/24/338447924.db2.gz YBGUEYQWPBBHPY-SQGPQFPESA-N 2 2 311.473 4.040 20 0 DIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000341696475 334471458 /nfs/dbraw/zinc/47/14/58/334471458.db2.gz QWILFJNETVLICP-HXUWFJFHSA-N 2 2 321.399 4.179 20 0 DIADLP c1cn(-c2ccccc2CNc2cc[nH+]c3ccsc32)c[nH+]1 ZINC000189752795 334910407 /nfs/dbraw/zinc/91/04/07/334910407.db2.gz FSFBGITWHZMOCE-UHFFFAOYSA-N 2 2 306.394 4.094 20 0 DIADLP c1cn(-c2ccccc2CNc2cc[nH+]c3ccccc23)c[nH+]1 ZINC000189752630 334910426 /nfs/dbraw/zinc/91/04/26/334910426.db2.gz ODQJGHBACCLQLF-UHFFFAOYSA-N 2 2 300.365 4.033 20 0 DIADLP Cc1ccc(CCCNc2ccc(Cl)c(C[NH+](C)C)c2)c[nH+]1 ZINC000343651181 335184989 /nfs/dbraw/zinc/18/49/89/335184989.db2.gz AHHILAIHUYNRFU-UHFFFAOYSA-N 2 2 317.864 4.150 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000343968870 335208711 /nfs/dbraw/zinc/20/87/11/335208711.db2.gz BNRDGSAJAYFKCS-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP CS[C@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C(C)(C)C ZINC000344370750 335245472 /nfs/dbraw/zinc/24/54/72/335245472.db2.gz YHKDCJZJXMBOFQ-QGZVFWFLSA-N 2 2 317.502 4.048 20 0 DIADLP CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000344543250 335260486 /nfs/dbraw/zinc/26/04/86/335260486.db2.gz PKWRVHNNXMYZGL-OAHLLOKOSA-N 2 2 323.440 4.167 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C3(Cc4ccccc4)CCC3)cc2)c[nH+]1 ZINC000344675119 335271032 /nfs/dbraw/zinc/27/10/32/335271032.db2.gz PVUGNZJZBGCOMQ-UHFFFAOYSA-N 2 2 317.436 4.127 20 0 DIADLP Clc1ccc(SCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000345769396 335350120 /nfs/dbraw/zinc/35/01/20/335350120.db2.gz JYWDKZIZLGOVQZ-UHFFFAOYSA-N 2 2 321.877 4.035 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000346127266 335376920 /nfs/dbraw/zinc/37/69/20/335376920.db2.gz AUOORZANLBXIOI-SFHVURJKSA-N 2 2 309.438 4.271 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000346127266 335376921 /nfs/dbraw/zinc/37/69/21/335376921.db2.gz AUOORZANLBXIOI-SFHVURJKSA-N 2 2 309.438 4.271 20 0 DIADLP CCS[C@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168289 335384777 /nfs/dbraw/zinc/38/47/77/335384777.db2.gz DBXCMYVDYOACRM-HNNXBMFYSA-N 2 2 321.515 4.041 20 0 DIADLP CCS[C@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168289 335384778 /nfs/dbraw/zinc/38/47/78/335384778.db2.gz DBXCMYVDYOACRM-HNNXBMFYSA-N 2 2 321.515 4.041 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCCNc3ccccc32)[NH+](C)C)cc1 ZINC000347904430 335533134 /nfs/dbraw/zinc/53/31/34/335533134.db2.gz HILGSOBORONJOI-LEWJYISDSA-N 2 2 323.484 4.134 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2ncccc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000349673009 335691140 /nfs/dbraw/zinc/69/11/40/335691140.db2.gz VFLXJPYIHOGHIC-HRAATJIYSA-N 2 2 319.452 4.016 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000520216560 335937344 /nfs/dbraw/zinc/93/73/44/335937344.db2.gz SDBFZXGKFDKYRL-KRWDZBQOSA-N 2 2 319.452 4.328 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000351776192 336068614 /nfs/dbraw/zinc/06/86/14/336068614.db2.gz ZAQXXFZNINANJI-OXQOHEQNSA-N 2 2 309.457 4.234 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000351776192 336068615 /nfs/dbraw/zinc/06/86/15/336068615.db2.gz ZAQXXFZNINANJI-OXQOHEQNSA-N 2 2 309.457 4.234 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000324224134 336112705 /nfs/dbraw/zinc/11/27/05/336112705.db2.gz FWSQLQUOEKWCAQ-LIRRHRJNSA-N 2 2 305.425 4.183 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000352339131 336213163 /nfs/dbraw/zinc/21/31/63/336213163.db2.gz ZULCYIFQDCPXFN-QGZVFWFLSA-N 2 2 321.424 4.358 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000352339131 336213164 /nfs/dbraw/zinc/21/31/64/336213164.db2.gz ZULCYIFQDCPXFN-QGZVFWFLSA-N 2 2 321.424 4.358 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000324474520 336222410 /nfs/dbraw/zinc/22/24/10/336222410.db2.gz LBUJSNWBLXWZDI-FQEVSTJZSA-N 2 2 323.415 4.225 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000352591485 336226024 /nfs/dbraw/zinc/22/60/24/336226024.db2.gz SIPYARGFOJIFQJ-HXUWFJFHSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629492 336236514 /nfs/dbraw/zinc/23/65/14/336236514.db2.gz UGNUXWHIOXNTGZ-YLJYHZDGSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629492 336236515 /nfs/dbraw/zinc/23/65/15/336236515.db2.gz UGNUXWHIOXNTGZ-YLJYHZDGSA-N 2 2 320.480 4.033 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000352790792 336236876 /nfs/dbraw/zinc/23/68/76/336236876.db2.gz VYPNDFBBWPUUMM-LJQANCHMSA-N 2 2 309.388 4.252 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCCC34CCCCC4)c2)c[nH+]1 ZINC000542466668 336240919 /nfs/dbraw/zinc/24/09/19/336240919.db2.gz YHKWNFVTHAFMGN-UHFFFAOYSA-N 2 2 301.459 4.233 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCCC34CCCCC4)c2)c[nH+]1 ZINC000542466668 336240920 /nfs/dbraw/zinc/24/09/20/336240920.db2.gz YHKWNFVTHAFMGN-UHFFFAOYSA-N 2 2 301.459 4.233 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000532785685 336271232 /nfs/dbraw/zinc/27/12/32/336271232.db2.gz IFQPMOFTBWZQLZ-QUCCMNQESA-N 2 2 309.457 4.187 20 0 DIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000192872232 336278402 /nfs/dbraw/zinc/27/84/02/336278402.db2.gz ZOBKDJNNXCRCNS-RXVVDRJESA-N 2 2 323.484 4.025 20 0 DIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000192872232 336278403 /nfs/dbraw/zinc/27/84/03/336278403.db2.gz ZOBKDJNNXCRCNS-RXVVDRJESA-N 2 2 323.484 4.025 20 0 DIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192872896 336278548 /nfs/dbraw/zinc/27/85/48/336278548.db2.gz IUAJIUMJKLAPQA-OXJNMPFZSA-N 2 2 324.468 4.472 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(C)cc2C)CC1 ZINC000325121939 336279396 /nfs/dbraw/zinc/27/93/96/336279396.db2.gz WSKKNQJGUGRVEK-QFIPXVFZSA-N 2 2 322.496 4.467 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352854545 336280545 /nfs/dbraw/zinc/28/05/45/336280545.db2.gz UIZMGKRPACDZMC-UHFFFAOYSA-N 2 2 303.837 4.060 20 0 DIADLP c1cc2[nH+]ccc(NCc3cc[nH+]c(N4CCCCC4)c3)c2s1 ZINC000301374110 336303131 /nfs/dbraw/zinc/30/31/31/336303131.db2.gz QPFYPJBMWCMOCV-UHFFFAOYSA-N 2 2 324.453 4.294 20 0 DIADLP Cc1nc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301672640 336322514 /nfs/dbraw/zinc/32/25/14/336322514.db2.gz GDTRIVJNHRBFBO-MRXNPFEDSA-N 2 2 324.472 4.039 20 0 DIADLP CC(C)c1cc(NC2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301865382 336335032 /nfs/dbraw/zinc/33/50/32/336335032.db2.gz GZKLOPUFSGXAEI-UHFFFAOYSA-N 2 2 304.482 4.008 20 0 DIADLP Cc1cc(NCc2ccccc2-n2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000302630253 336363010 /nfs/dbraw/zinc/36/30/10/336363010.db2.gz GKYYTPNEGODPGG-UHFFFAOYSA-N 2 2 314.392 4.341 20 0 DIADLP Fc1ccc2c(NCc3ccccc3-n3cc[nH+]c3)cc[nH+]c2c1 ZINC000302662164 336363900 /nfs/dbraw/zinc/36/39/00/336363900.db2.gz LYYKQCSPPPIGRU-UHFFFAOYSA-N 2 2 318.355 4.172 20 0 DIADLP Cc1ccc2[nH+]ccc(NCc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000302677649 336364444 /nfs/dbraw/zinc/36/44/44/336364444.db2.gz QMCXOMKXFKVHNH-UHFFFAOYSA-N 2 2 314.392 4.341 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](CCC(C)C)c1ccoc1)CCC2 ZINC000353510811 336421482 /nfs/dbraw/zinc/42/14/82/336421482.db2.gz ACFRMMYKCUAOCZ-WMZOPIPTSA-N 2 2 315.461 4.429 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C)cc1 ZINC000353592314 336427485 /nfs/dbraw/zinc/42/74/85/336427485.db2.gz ACPKADIVJCLTPU-OAQYLSRUSA-N 2 2 319.452 4.481 20 0 DIADLP Cc1ccc(CCC[NH2+]CCCO[C@H](C)c2ccccc2)c[nH+]1 ZINC000353947119 336450700 /nfs/dbraw/zinc/45/07/00/336450700.db2.gz XIRKSBMLKQTZCN-GOSISDBHSA-N 2 2 312.457 4.080 20 0 DIADLP Cc1csc(C2([NH2+]CCCc3ccc(C)[nH+]c3)CCCC2)n1 ZINC000354352091 336467758 /nfs/dbraw/zinc/46/77/58/336467758.db2.gz OETKIZVNYOVPCL-UHFFFAOYSA-N 2 2 315.486 4.147 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccco2)c(C)c1 ZINC000358351910 336625563 /nfs/dbraw/zinc/62/55/63/336625563.db2.gz MJJURUWVFKNECO-SJLPKXTDSA-N 2 2 309.413 4.185 20 0 DIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(C)ccc1OC ZINC000359037021 336654560 /nfs/dbraw/zinc/65/45/60/336654560.db2.gz PSGTUDOYWAJWSP-FAFZWHIHSA-N 2 2 316.489 4.061 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccsc2S1 ZINC000359047100 336655154 /nfs/dbraw/zinc/65/51/54/336655154.db2.gz MFYKLZHMMIMKMU-WOICTCIZSA-N 2 2 322.543 4.280 20 0 DIADLP C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359661205 336682041 /nfs/dbraw/zinc/68/20/41/336682041.db2.gz MULQYTXCYPCYGO-QGZVFWFLSA-N 2 2 317.436 4.255 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000367367680 336714747 /nfs/dbraw/zinc/71/47/47/336714747.db2.gz MHLYVLLGQYELTQ-LBPRGKRZSA-N 2 2 323.362 4.089 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCCc3ccccc32)c[nH+]1 ZINC000360588898 336715423 /nfs/dbraw/zinc/71/54/23/336715423.db2.gz MGRGWDKPXQFJPA-FQEVSTJZSA-N 2 2 317.436 4.430 20 0 DIADLP CCC[C@H](C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000371507123 336906559 /nfs/dbraw/zinc/90/65/59/336906559.db2.gz YAPXSWCHVHSDBZ-RTBURBONSA-N 2 2 311.473 4.242 20 0 DIADLP CCC[C@@H](C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000371507122 336906608 /nfs/dbraw/zinc/90/66/08/336906608.db2.gz YAPXSWCHVHSDBZ-RBUKOAKNSA-N 2 2 311.473 4.242 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)CCC2 ZINC000377837779 337062292 /nfs/dbraw/zinc/06/22/92/337062292.db2.gz QWMVZTHSDITKED-CYBMUJFWSA-N 2 2 324.255 4.166 20 0 DIADLP Cc1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000377865835 337062834 /nfs/dbraw/zinc/06/28/34/337062834.db2.gz VAHCIEQGRIECSW-SFTDATJTSA-N 2 2 317.436 4.210 20 0 DIADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cc(F)ccc1F ZINC000378185693 337067876 /nfs/dbraw/zinc/06/78/76/337067876.db2.gz UJGFNRVPOXGGRP-SUMWQHHRSA-N 2 2 319.399 4.088 20 0 DIADLP CC(C)C(C[NH2+]CCCc1[nH+]c2ccccc2n1C)C(C)C ZINC000582733069 337126870 /nfs/dbraw/zinc/12/68/70/337126870.db2.gz OGGJYCIEIZBDJS-UHFFFAOYSA-N 2 2 301.478 4.024 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccsc1 ZINC000178245305 337161582 /nfs/dbraw/zinc/16/15/82/337161582.db2.gz GNHWMKFTUMUFFW-CQSZACIVSA-N 2 2 318.461 4.202 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1F ZINC000183233601 337192517 /nfs/dbraw/zinc/19/25/17/337192517.db2.gz UJELKLPCBDUVHV-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP CC(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582926613 337215559 /nfs/dbraw/zinc/21/55/59/337215559.db2.gz CFYBNECSOZOULF-HNNXBMFYSA-N 2 2 308.897 4.329 20 0 DIADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000321938762 337305901 /nfs/dbraw/zinc/30/59/01/337305901.db2.gz MCFUUSDBCOWGSG-OALUTQOASA-N 2 2 310.441 4.084 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000583877818 337369015 /nfs/dbraw/zinc/36/90/15/337369015.db2.gz ZEKGIMOTGCDJMU-FUHWJXTLSA-N 2 2 309.457 4.013 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CC1(OC)CCC1)c1ccccc1 ZINC000429359611 337441567 /nfs/dbraw/zinc/44/15/67/337441567.db2.gz BTFBPSKJASVBRT-MJGOQNOKSA-N 2 2 318.505 4.007 20 0 DIADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250340 337538831 /nfs/dbraw/zinc/53/88/31/337538831.db2.gz IOLHEIYKBDNWRN-VXGBXAGGSA-N 2 2 319.251 4.095 20 0 DIADLP Cc1ccc(C2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)c[nH+]1 ZINC000571911782 337582699 /nfs/dbraw/zinc/58/26/99/337582699.db2.gz FOOLSVAPUXKUPS-UHFFFAOYSA-N 2 2 321.399 4.461 20 0 DIADLP CC(C)COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000321268014 337613758 /nfs/dbraw/zinc/61/37/58/337613758.db2.gz DVFXLTLEWMEJKG-KRWDZBQOSA-N 2 2 315.461 4.049 20 0 DIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000421824857 337646416 /nfs/dbraw/zinc/64/64/16/337646416.db2.gz KQLBDTBNVBYTTO-CYBMUJFWSA-N 2 2 322.880 4.016 20 0 DIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000421860233 337655433 /nfs/dbraw/zinc/65/54/33/337655433.db2.gz UHTZYSYIEOUHCC-IUDNXUCKSA-N 2 2 322.880 4.016 20 0 DIADLP c1cn(-c2ccc(CNc3cccc4cc[nH+]cc43)cc2)c[nH+]1 ZINC000321798061 337661350 /nfs/dbraw/zinc/66/13/50/337661350.db2.gz WDEXUJJHRWGJLB-UHFFFAOYSA-N 2 2 300.365 4.033 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422872889 337689389 /nfs/dbraw/zinc/68/93/89/337689389.db2.gz IYXONWNCFRZILZ-OTWHNJEPSA-N 2 2 316.395 4.396 20 0 DIADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422875848 337689557 /nfs/dbraw/zinc/68/95/57/337689557.db2.gz PONAPKSNHUROBT-RYGJVYDSSA-N 2 2 324.468 4.407 20 0 DIADLP CCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422876541 337689668 /nfs/dbraw/zinc/68/96/68/337689668.db2.gz QIIAOCCVRHUJHZ-MOPGFXCFSA-N 2 2 310.441 4.018 20 0 DIADLP C[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000423222871 337705626 /nfs/dbraw/zinc/70/56/26/337705626.db2.gz DAJQVGJZMGVKHM-APPDUMDISA-N 2 2 324.802 4.035 20 0 DIADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423327669 337712063 /nfs/dbraw/zinc/71/20/63/337712063.db2.gz LNWQKBCUMYWSIW-TVQRCGJNSA-N 2 2 307.290 4.095 20 0 DIADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000396980268 337736568 /nfs/dbraw/zinc/73/65/68/337736568.db2.gz VEKDACGOVXJAOD-CHWSQXEVSA-N 2 2 311.351 4.111 20 0 DIADLP CC(C)n1c[nH+]cc1CNc1cccc(C[NH+]2CCCCC2)c1 ZINC000424140810 337762074 /nfs/dbraw/zinc/76/20/74/337762074.db2.gz CBQAZVWGKYAQBD-UHFFFAOYSA-N 2 2 312.461 4.062 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ncccc2F)cc1 ZINC000528036068 337782470 /nfs/dbraw/zinc/78/24/70/337782470.db2.gz OMBMCXDVDPZQIR-KBPBESRZSA-N 2 2 324.403 4.127 20 0 DIADLP Cc1cc(CNc2[nH+]ccc3ccccc32)cc(N2CCCC2)[nH+]1 ZINC000528024878 337784451 /nfs/dbraw/zinc/78/44/51/337784451.db2.gz WIQLQEAHMMXAQJ-UHFFFAOYSA-N 2 2 318.424 4.151 20 0 DIADLP c1c(CC[NH2+][C@H](C2CCC2)C2CCCCC2)[nH+]c2n1CCCC2 ZINC000424273528 337814009 /nfs/dbraw/zinc/81/40/09/337814009.db2.gz XDXHCSJMGFCDFU-FQEVSTJZSA-N 2 2 315.505 4.101 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C1CCC1)C1CCCCC1)CCC2 ZINC000424316891 337819798 /nfs/dbraw/zinc/81/97/98/337819798.db2.gz QNTDISYFCDMDJF-RBUKOAKNSA-N 2 2 315.505 4.408 20 0 DIADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)noc1C ZINC000090886633 337886793 /nfs/dbraw/zinc/88/67/93/337886793.db2.gz SYFGAQVOSBWIKQ-ACJLOTCBSA-N 2 2 324.428 4.279 20 0 DIADLP C(=C\c1ccccc1)\C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000515712178 337996363 /nfs/dbraw/zinc/99/63/63/337996363.db2.gz PBQYNIVZTFAXRC-YWEYNIOJSA-N 2 2 309.457 4.089 20 0 DIADLP CC(C)CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000516354577 338010539 /nfs/dbraw/zinc/01/05/39/338010539.db2.gz SZMFFLPEKDLXOT-MSOLQXFVSA-N 2 2 311.473 4.424 20 0 DIADLP CC(C)CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000516354577 338010540 /nfs/dbraw/zinc/01/05/40/338010540.db2.gz SZMFFLPEKDLXOT-MSOLQXFVSA-N 2 2 311.473 4.424 20 0 DIADLP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528792 338034097 /nfs/dbraw/zinc/03/40/97/338034097.db2.gz HFYUMOYGNHGVHO-FUHWJXTLSA-N 2 2 305.425 4.021 20 0 DIADLP Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528792 338034098 /nfs/dbraw/zinc/03/40/98/338034098.db2.gz HFYUMOYGNHGVHO-FUHWJXTLSA-N 2 2 305.425 4.021 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429029066 338069418 /nfs/dbraw/zinc/06/94/18/338069418.db2.gz NRUGBGRHAMOWHD-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429029066 338069419 /nfs/dbraw/zinc/06/94/19/338069419.db2.gz NRUGBGRHAMOWHD-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429029066 338069420 /nfs/dbraw/zinc/06/94/20/338069420.db2.gz NRUGBGRHAMOWHD-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429029066 338069421 /nfs/dbraw/zinc/06/94/21/338069421.db2.gz NRUGBGRHAMOWHD-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429537644 338083334 /nfs/dbraw/zinc/08/33/34/338083334.db2.gz QTJURSWHZKAJJF-TZMCWYRMSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429537644 338083335 /nfs/dbraw/zinc/08/33/35/338083335.db2.gz QTJURSWHZKAJJF-TZMCWYRMSA-N 2 2 315.288 4.471 20 0 DIADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000429539969 338083360 /nfs/dbraw/zinc/08/33/60/338083360.db2.gz MKKMJGBKYZTIGO-MRXNPFEDSA-N 2 2 324.896 4.043 20 0 DIADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000429539969 338083361 /nfs/dbraw/zinc/08/33/61/338083361.db2.gz MKKMJGBKYZTIGO-MRXNPFEDSA-N 2 2 324.896 4.043 20 0 DIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000429550680 338083737 /nfs/dbraw/zinc/08/37/37/338083737.db2.gz SGSNUBWJSOPUSF-CYBMUJFWSA-N 2 2 322.905 4.471 20 0 DIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000429550680 338083738 /nfs/dbraw/zinc/08/37/38/338083738.db2.gz SGSNUBWJSOPUSF-CYBMUJFWSA-N 2 2 322.905 4.471 20 0 DIADLP Cc1cccc([C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000429721723 338088468 /nfs/dbraw/zinc/08/84/68/338088468.db2.gz RXBPGYJVYYGIPJ-QGZVFWFLSA-N 2 2 310.441 4.303 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432736761 338165152 /nfs/dbraw/zinc/16/51/52/338165152.db2.gz YKKUBUIWVBBMOJ-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432736761 338165153 /nfs/dbraw/zinc/16/51/53/338165153.db2.gz YKKUBUIWVBBMOJ-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432753967 338166631 /nfs/dbraw/zinc/16/66/31/338166631.db2.gz HJKZGFSALZHMLN-ZYHUDNBSSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432753967 338166632 /nfs/dbraw/zinc/16/66/32/338166632.db2.gz HJKZGFSALZHMLN-ZYHUDNBSSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753967 338166633 /nfs/dbraw/zinc/16/66/33/338166633.db2.gz HJKZGFSALZHMLN-ZYHUDNBSSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753967 338166634 /nfs/dbraw/zinc/16/66/34/338166634.db2.gz HJKZGFSALZHMLN-ZYHUDNBSSA-N 2 2 319.251 4.047 20 0 DIADLP Cc1ccc(C)c(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000432909520 338172560 /nfs/dbraw/zinc/17/25/60/338172560.db2.gz HISFCSOZGVDBMA-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1ccc(C)c(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000432909520 338172561 /nfs/dbraw/zinc/17/25/61/338172561.db2.gz HISFCSOZGVDBMA-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433306315 338190801 /nfs/dbraw/zinc/19/08/01/338190801.db2.gz SALSJBCCJUSSBV-GUYCJALGSA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433306315 338190802 /nfs/dbraw/zinc/19/08/02/338190802.db2.gz SALSJBCCJUSSBV-GUYCJALGSA-N 2 2 324.871 4.250 20 0 DIADLP c1c2ccccc2sc1C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434792967 338225827 /nfs/dbraw/zinc/22/58/27/338225827.db2.gz JOSRJDGLCOKMQJ-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP c1c2ccccc2sc1C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000434792967 338225828 /nfs/dbraw/zinc/22/58/28/338225828.db2.gz JOSRJDGLCOKMQJ-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000436283278 338265796 /nfs/dbraw/zinc/26/57/96/338265796.db2.gz JFTFNGPOPCSTPL-NSISKUIASA-N 2 2 317.436 4.469 20 0 DIADLP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000436468798 338273227 /nfs/dbraw/zinc/27/32/27/338273227.db2.gz NFXFOAHPMPEYSP-UHFFFAOYSA-N 2 2 317.436 4.082 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592885 338315434 /nfs/dbraw/zinc/31/54/34/338315434.db2.gz RVQPCCAJDVETTP-QRFRQXIXSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592885 338315435 /nfs/dbraw/zinc/31/54/35/338315435.db2.gz RVQPCCAJDVETTP-QRFRQXIXSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000438118485 338333049 /nfs/dbraw/zinc/33/30/49/338333049.db2.gz QOAKTHGWIUWTCX-ICSRJNTNSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000438195733 338336144 /nfs/dbraw/zinc/33/61/44/338336144.db2.gz DOJUGKHWMUAOGG-HZPDHXFCSA-N 2 2 323.415 4.466 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000442777048 338430413 /nfs/dbraw/zinc/43/04/13/338430413.db2.gz FOVAHAXWYBDWOR-CABCVRRESA-N 2 2 315.486 4.142 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000442777381 338430487 /nfs/dbraw/zinc/43/04/87/338430487.db2.gz IIWOLFNJOQSOHW-OAHLLOKOSA-N 2 2 323.465 4.445 20 0 DIADLP Cc1ccc([C@@H](C[NH2+]C2CCC(C(F)F)CC2)[NH+](C)C)cc1 ZINC000442798215 338432133 /nfs/dbraw/zinc/43/21/33/338432133.db2.gz WBJBCSSVUQDONP-OFLPRAFFSA-N 2 2 310.432 4.011 20 0 DIADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)c1 ZINC000447057972 338543833 /nfs/dbraw/zinc/54/38/33/338543833.db2.gz FMHUTLXHPVFAHV-UHFFFAOYSA-N 2 2 310.441 4.050 20 0 DIADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000459306286 339020709 /nfs/dbraw/zinc/02/07/09/339020709.db2.gz PXXXYLRHCXKMNX-OAHLLOKOSA-N 2 2 311.429 4.182 20 0 DIADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1cc2ccccc2o1 ZINC000459306286 339020710 /nfs/dbraw/zinc/02/07/10/339020710.db2.gz PXXXYLRHCXKMNX-OAHLLOKOSA-N 2 2 311.429 4.182 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331318 339022374 /nfs/dbraw/zinc/02/23/74/339022374.db2.gz SVCJSVDYTKTCJH-ZZEDZQHJSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331318 339022375 /nfs/dbraw/zinc/02/23/75/339022375.db2.gz SVCJSVDYTKTCJH-ZZEDZQHJSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331318 339022376 /nfs/dbraw/zinc/02/23/76/339022376.db2.gz SVCJSVDYTKTCJH-ZZEDZQHJSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331318 339022377 /nfs/dbraw/zinc/02/23/77/339022377.db2.gz SVCJSVDYTKTCJH-ZZEDZQHJSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000459416330 339028097 /nfs/dbraw/zinc/02/80/97/339028097.db2.gz VDZKXRKZPQRAKF-AWEZNQCLSA-N 2 2 319.399 4.348 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459434232 339029010 /nfs/dbraw/zinc/02/90/10/339029010.db2.gz HKNZALAKQVLKPH-SFHVURJKSA-N 2 2 308.416 4.022 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c[nH+]1 ZINC000459663220 339041358 /nfs/dbraw/zinc/04/13/58/339041358.db2.gz CTUDAZFMXNENSC-RHSMWYFYSA-N 2 2 318.823 4.261 20 0 DIADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000462505046 339080302 /nfs/dbraw/zinc/08/03/02/339080302.db2.gz BKVROFBUWMVJRN-KDOFPFPSSA-N 2 2 320.440 4.136 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000462681920 339084036 /nfs/dbraw/zinc/08/40/36/339084036.db2.gz WLQSGLRJCMSCCV-UZLBHIALSA-N 2 2 318.480 4.349 20 0 DIADLP Cc1cccn2c(C[NH2+]CC3(c4ccccc4)CCCC3)c[nH+]c12 ZINC000462687093 339084162 /nfs/dbraw/zinc/08/41/62/339084162.db2.gz RHPSKAPXVAFQOW-UHFFFAOYSA-N 2 2 319.452 4.244 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847329 339094105 /nfs/dbraw/zinc/09/41/05/339094105.db2.gz YWMKPCBYEKMXHC-LXIYXOSZSA-N 2 2 302.849 4.094 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847329 339094106 /nfs/dbraw/zinc/09/41/06/339094106.db2.gz YWMKPCBYEKMXHC-LXIYXOSZSA-N 2 2 302.849 4.094 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847330 339094132 /nfs/dbraw/zinc/09/41/32/339094132.db2.gz YWMKPCBYEKMXHC-VBHSOAQHSA-N 2 2 302.849 4.094 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847330 339094133 /nfs/dbraw/zinc/09/41/33/339094133.db2.gz YWMKPCBYEKMXHC-VBHSOAQHSA-N 2 2 302.849 4.094 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CS[C@@H](C(C)C)C3)cc2)c1C ZINC000463032665 339101943 /nfs/dbraw/zinc/10/19/43/339101943.db2.gz ISJBSIXOKFRGTO-FUHWJXTLSA-N 2 2 315.486 4.431 20 0 DIADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c[nH+]1 ZINC000463037373 339102388 /nfs/dbraw/zinc/10/23/88/339102388.db2.gz NKXIEBJRPXISSD-CVEARBPZSA-N 2 2 314.395 4.376 20 0 DIADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c[nH+]1 ZINC000463037373 339102389 /nfs/dbraw/zinc/10/23/89/339102389.db2.gz NKXIEBJRPXISSD-CVEARBPZSA-N 2 2 314.395 4.376 20 0 DIADLP CC(C)CC(CC(C)C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463117798 339106415 /nfs/dbraw/zinc/10/64/15/339106415.db2.gz VDUWHNDQEVBBCY-UHFFFAOYSA-N 2 2 322.459 4.454 20 0 DIADLP CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463240161 339111223 /nfs/dbraw/zinc/11/12/23/339111223.db2.gz KDPOKRBVNBBMSS-UHFFFAOYSA-N 2 2 308.897 4.330 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000463242728 339111477 /nfs/dbraw/zinc/11/14/77/339111477.db2.gz KZGSWXZCXOOZSW-MBOZVWFJSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000463242728 339111478 /nfs/dbraw/zinc/11/14/78/339111478.db2.gz KZGSWXZCXOOZSW-MBOZVWFJSA-N 2 2 324.468 4.096 20 0 DIADLP CC1(C)[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000464073787 339133224 /nfs/dbraw/zinc/13/32/24/339133224.db2.gz JMRVWXRXDFVITH-ROUUACIJSA-N 2 2 309.457 4.056 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420699 339203808 /nfs/dbraw/zinc/20/38/08/339203808.db2.gz FIAKHWWMOQFZAN-FOXKFOACSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420699 339203809 /nfs/dbraw/zinc/20/38/09/339203809.db2.gz FIAKHWWMOQFZAN-FOXKFOACSA-N 2 2 320.480 4.358 20 0 DIADLP c1c[nH+]c(C2CC[NH+](CCCc3cccc4ccccc43)CC2)[nH]1 ZINC000467155026 339227063 /nfs/dbraw/zinc/22/70/63/339227063.db2.gz KGORLEZHNIAHRA-UHFFFAOYSA-N 2 2 319.452 4.375 20 0 DIADLP CCCCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000468393119 339261632 /nfs/dbraw/zinc/26/16/32/339261632.db2.gz RUPHDEMKOOSRAB-PKOBYXMFSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000468393119 339261633 /nfs/dbraw/zinc/26/16/33/339261633.db2.gz RUPHDEMKOOSRAB-PKOBYXMFSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000468393119 339261634 /nfs/dbraw/zinc/26/16/34/339261634.db2.gz RUPHDEMKOOSRAB-PKOBYXMFSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000468393119 339261635 /nfs/dbraw/zinc/26/16/35/339261635.db2.gz RUPHDEMKOOSRAB-PKOBYXMFSA-N 2 2 318.505 4.170 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1)CCC2 ZINC000468552283 339266169 /nfs/dbraw/zinc/26/61/69/339266169.db2.gz GVORCTYWAYSDJZ-UFYCRDLUSA-N 2 2 323.484 4.303 20 0 DIADLP COc1cccc([C@H](C[NH2+][C@H](C)CCC2CC2)[NH+]2CCCC2)c1 ZINC000469805135 339301253 /nfs/dbraw/zinc/30/12/53/339301253.db2.gz XMJAKODFNQXUNB-UZLBHIALSA-N 2 2 316.489 4.000 20 0 DIADLP C[C@H](CCc1ccsc1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471609216 339349350 /nfs/dbraw/zinc/34/93/50/339349350.db2.gz IQCCIQFCEQWSHE-GJYPPUQNSA-N 2 2 316.514 4.350 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471611406 339349520 /nfs/dbraw/zinc/34/95/20/339349520.db2.gz QFEAICSHOKUJTO-RZQQEMMASA-N 2 2 312.457 4.037 20 0 DIADLP CSc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472037410 339359989 /nfs/dbraw/zinc/35/99/89/339359989.db2.gz JMKZNFVHYWIHFN-HNAYVOBHSA-N 2 2 314.498 4.190 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000472057649 339361475 /nfs/dbraw/zinc/36/14/75/339361475.db2.gz AHNKGVHEQHHTTG-VRXWPRPYSA-N 2 2 308.469 4.071 20 0 DIADLP C[C@H]([NH2+]Cc1coc2ccccc12)[C@H](c1ccccc1)[NH+](C)C ZINC000472063501 339361817 /nfs/dbraw/zinc/36/18/17/339361817.db2.gz DSUKLIKPMNTSIS-MGPUTAFESA-N 2 2 308.425 4.214 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474029768 339397698 /nfs/dbraw/zinc/39/76/98/339397698.db2.gz DGAZJPVLCZVIQF-CYBMUJFWSA-N 2 2 321.415 4.148 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000474470954 339415994 /nfs/dbraw/zinc/41/59/94/339415994.db2.gz KRJJUCLDNLTKQN-WOJBJXKFSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1)Cn1cc[nH+]c1 ZINC000498352717 339417314 /nfs/dbraw/zinc/41/73/14/339417314.db2.gz ITVJYWYPHHRYNK-RLLQIKCJSA-N 2 2 311.473 4.225 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](C)c2c(F)cccc2Cl)c[nH+]1 ZINC000474808106 339427254 /nfs/dbraw/zinc/42/72/54/339427254.db2.gz FLAVYWKCOUDJIT-CYBMUJFWSA-N 2 2 306.812 4.466 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@H](c4cccc(F)c4)C3)n2c1 ZINC000475557954 339455085 /nfs/dbraw/zinc/45/50/85/339455085.db2.gz GDHMHHKMKXMVIS-FUHWJXTLSA-N 2 2 323.415 4.208 20 0 DIADLP Clc1ccc([C@H]2C[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000475672112 339459066 /nfs/dbraw/zinc/45/90/66/339459066.db2.gz RVHRXVITXZAQQG-KOMQPUFPSA-N 2 2 311.816 4.024 20 0 DIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Cl)c1 ZINC000479517239 339538976 /nfs/dbraw/zinc/53/89/76/339538976.db2.gz NBDDUCNVRHEEPU-LRVUVFPRSA-N 2 2 310.844 4.147 20 0 DIADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000479865622 339551548 /nfs/dbraw/zinc/55/15/48/339551548.db2.gz YFOBTHQPRWMISC-SFHVURJKSA-N 2 2 319.880 4.174 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+]C3(Cc4cccc(F)c4)CCC3)n2c1 ZINC000479877910 339552522 /nfs/dbraw/zinc/55/25/22/339552522.db2.gz ZPJWBSXWDWSYMS-UHFFFAOYSA-N 2 2 323.415 4.037 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000480233635 339564407 /nfs/dbraw/zinc/56/44/07/339564407.db2.gz VJGWJUGYZNIYSI-LBPRGKRZSA-N 2 2 313.367 4.206 20 0 DIADLP CCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000480762343 339586335 /nfs/dbraw/zinc/58/63/35/339586335.db2.gz DPGNUQGMKISNDO-GOSISDBHSA-N 2 2 303.494 4.101 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cc2F)CC1 ZINC000481962111 339618061 /nfs/dbraw/zinc/61/80/61/339618061.db2.gz PQKZCKSXAYLYEN-GOSISDBHSA-N 2 2 310.432 4.270 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c[nH+]1 ZINC000482461748 339632636 /nfs/dbraw/zinc/63/26/36/339632636.db2.gz TVDGFZIVQPOYFO-ROUUACIJSA-N 2 2 312.432 4.388 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000494940807 339966090 /nfs/dbraw/zinc/96/60/90/339966090.db2.gz NFYAQHNJGVOBNM-PXNSSMCTSA-N 2 2 309.457 4.027 20 0 DIADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000499068030 340029009 /nfs/dbraw/zinc/02/90/09/340029009.db2.gz FGJQONJSZYLMEG-KRWDZBQOSA-N 2 2 305.425 4.243 20 0 DIADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000499068030 340029010 /nfs/dbraw/zinc/02/90/10/340029010.db2.gz FGJQONJSZYLMEG-KRWDZBQOSA-N 2 2 305.425 4.243 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440694 340058783 /nfs/dbraw/zinc/05/87/83/340058783.db2.gz NIDSJLPFQMSDJQ-MAUKXSAKSA-N 2 2 322.443 4.237 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440694 340058784 /nfs/dbraw/zinc/05/87/84/340058784.db2.gz NIDSJLPFQMSDJQ-MAUKXSAKSA-N 2 2 322.443 4.237 20 0 DIADLP Clc1cccc(-c2ccc(C[NH2+]CC[NH+]3CCCC3)s2)c1 ZINC000500447205 340059085 /nfs/dbraw/zinc/05/90/85/340059085.db2.gz KBZDPPQMDWOVRC-UHFFFAOYSA-N 2 2 320.889 4.254 20 0 DIADLP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000502344621 340100271 /nfs/dbraw/zinc/10/02/71/340100271.db2.gz WDABVYRGXNTNGQ-KSSFIOAISA-N 2 2 306.881 4.083 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)oc1C ZINC000502682980 340110276 /nfs/dbraw/zinc/11/02/76/340110276.db2.gz COVTVOAWCWSICV-MRXNPFEDSA-N 2 2 300.446 4.069 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)oc1C ZINC000502682980 340110277 /nfs/dbraw/zinc/11/02/77/340110277.db2.gz COVTVOAWCWSICV-MRXNPFEDSA-N 2 2 300.446 4.069 20 0 DIADLP C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000503070825 340120371 /nfs/dbraw/zinc/12/03/71/340120371.db2.gz DXYOLUXXMUBUNU-LAUBAEHRSA-N 2 2 319.452 4.162 20 0 DIADLP C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000503070825 340120372 /nfs/dbraw/zinc/12/03/72/340120372.db2.gz DXYOLUXXMUBUNU-LAUBAEHRSA-N 2 2 319.452 4.162 20 0 DIADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381015 340126809 /nfs/dbraw/zinc/12/68/09/340126809.db2.gz YVFPMZRLCHLXIM-MJGOQNOKSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381015 340126810 /nfs/dbraw/zinc/12/68/10/340126810.db2.gz YVFPMZRLCHLXIM-MJGOQNOKSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381013 340126919 /nfs/dbraw/zinc/12/69/19/340126919.db2.gz YVFPMZRLCHLXIM-HKUYNNGSSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381013 340126920 /nfs/dbraw/zinc/12/69/20/340126920.db2.gz YVFPMZRLCHLXIM-HKUYNNGSSA-N 2 2 323.484 4.468 20 0 DIADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503593012 340132075 /nfs/dbraw/zinc/13/20/75/340132075.db2.gz SFNZNMZNHQIGHP-HOTGVXAUSA-N 2 2 314.429 4.034 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503598526 340132124 /nfs/dbraw/zinc/13/21/24/340132124.db2.gz VRLCTBTZMXEJBI-UHFFFAOYSA-N 2 2 314.429 4.036 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)o2)cc1 ZINC000506415100 340194345 /nfs/dbraw/zinc/19/43/45/340194345.db2.gz IFQOLRMEWGCEKI-UHFFFAOYSA-N 2 2 324.468 4.315 20 0 DIADLP Clc1oc2ccccc2c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000506458995 340194800 /nfs/dbraw/zinc/19/48/00/340194800.db2.gz IMIUZEADUOKJNB-UHFFFAOYSA-N 2 2 318.848 4.146 20 0 DIADLP c1cc(C2CCC2)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000507109149 340207581 /nfs/dbraw/zinc/20/75/81/340207581.db2.gz BEAYCFSQKILBCH-UHFFFAOYSA-N 2 2 312.501 4.404 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(C)o1)C1CCC1)CCC2 ZINC000516604334 340218587 /nfs/dbraw/zinc/21/85/87/340218587.db2.gz RTJFIPHQTBPLAX-FUHWJXTLSA-N 2 2 313.445 4.101 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000507468834 340221160 /nfs/dbraw/zinc/22/11/60/340221160.db2.gz ISNKKKYYHOBUGQ-IRXDYDNUSA-N 2 2 311.473 4.064 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000507468835 340221189 /nfs/dbraw/zinc/22/11/89/340221189.db2.gz ISNKKKYYHOBUGQ-SJORKVTESA-N 2 2 311.473 4.064 20 0 DIADLP CCCC[C@H](CCC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507468627 340221254 /nfs/dbraw/zinc/22/12/54/340221254.db2.gz HLSQYVDUPZORGP-AWEZNQCLSA-N 2 2 308.432 4.352 20 0 DIADLP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507512855 340223463 /nfs/dbraw/zinc/22/34/63/340223463.db2.gz QMORWDKCUIPZJH-ZDUSSCGKSA-N 2 2 308.432 4.208 20 0 DIADLP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507512853 340223532 /nfs/dbraw/zinc/22/35/32/340223532.db2.gz QMORWDKCUIPZJH-CYBMUJFWSA-N 2 2 308.432 4.208 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000509347886 340266877 /nfs/dbraw/zinc/26/68/77/340266877.db2.gz GRIWRUDIWPUZHE-UHFFFAOYSA-N 2 2 311.473 4.408 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1C ZINC000302224758 340270689 /nfs/dbraw/zinc/27/06/89/340270689.db2.gz ZTIDSRYFBCOCAU-NRFANRHFSA-N 2 2 308.469 4.230 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000509603966 340274491 /nfs/dbraw/zinc/27/44/91/340274491.db2.gz SZOHAMIEOPBISS-MRXNPFEDSA-N 2 2 318.461 4.128 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000509603966 340274492 /nfs/dbraw/zinc/27/44/92/340274492.db2.gz SZOHAMIEOPBISS-MRXNPFEDSA-N 2 2 318.461 4.128 20 0 DIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCCF)C2 ZINC000510672002 340305898 /nfs/dbraw/zinc/30/58/98/340305898.db2.gz RZCPNHYEBLXSIR-PMPSAXMXSA-N 2 2 321.484 4.003 20 0 DIADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000510740666 340309059 /nfs/dbraw/zinc/30/90/59/340309059.db2.gz VXVBRSCWHJESSM-IHPCNDPISA-N 2 2 318.480 4.332 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@@H+]1C1CC1 ZINC000511624768 340332809 /nfs/dbraw/zinc/33/28/09/340332809.db2.gz CQVLECQKKXARDL-XLIONFOSSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@H+]1C1CC1 ZINC000511624768 340332810 /nfs/dbraw/zinc/33/28/10/340332810.db2.gz CQVLECQKKXARDL-XLIONFOSSA-N 2 2 320.480 4.033 20 0 DIADLP Cc1cc(C)cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512303980 340356366 /nfs/dbraw/zinc/35/63/66/340356366.db2.gz XSPUGRVCDJTYLA-UHFFFAOYSA-N 2 2 322.496 4.400 20 0 DIADLP Cc1cc(C)cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000512303980 340356367 /nfs/dbraw/zinc/35/63/67/340356367.db2.gz XSPUGRVCDJTYLA-UHFFFAOYSA-N 2 2 322.496 4.400 20 0 DIADLP c1cn(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c[nH+]1 ZINC000512389401 340360123 /nfs/dbraw/zinc/36/01/23/340360123.db2.gz LIQOXTNPUFGZDJ-UHFFFAOYSA-N 2 2 317.436 4.387 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000513084560 340392595 /nfs/dbraw/zinc/39/25/95/340392595.db2.gz VYLXEJLHHKCDQQ-UHFFFAOYSA-N 2 2 324.468 4.441 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)o2)cc1 ZINC000521831513 340535379 /nfs/dbraw/zinc/53/53/79/340535379.db2.gz ZDZKADRAKKGYEL-UHFFFAOYSA-N 2 2 324.468 4.362 20 0 DIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000191676508 340557443 /nfs/dbraw/zinc/55/74/43/340557443.db2.gz GQTFUPXOQWKKKB-CQSZACIVSA-N 2 2 305.381 4.240 20 0 DIADLP CCCC[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000529532776 340759967 /nfs/dbraw/zinc/75/99/67/340759967.db2.gz OJWXYADPVNGLHF-UHFFFAOYSA-N 2 2 320.424 4.121 20 0 DIADLP c1cn(CC2CCC(Cn3cc[nH+]c3C3CC3)CC2)c(C2CC2)[nH+]1 ZINC000530129509 340780334 /nfs/dbraw/zinc/78/03/34/340780334.db2.gz LPXXSCSUIMBYII-UHFFFAOYSA-N 2 2 324.472 4.341 20 0 DIADLP Clc1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000538391885 340820208 /nfs/dbraw/zinc/82/02/08/340820208.db2.gz AGNJDMOZLUMLKS-GOSISDBHSA-N 2 2 317.864 4.448 20 0 DIADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000539856688 340906787 /nfs/dbraw/zinc/90/67/87/340906787.db2.gz UXOUGUHEWIURGN-NSISKUIASA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccccc1 ZINC000542467119 341008438 /nfs/dbraw/zinc/00/84/38/341008438.db2.gz WODHPMUUUUZWFO-KBXCAEBGSA-N 2 2 309.438 4.127 20 0 DIADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccccc1 ZINC000542467119 341008439 /nfs/dbraw/zinc/00/84/39/341008439.db2.gz WODHPMUUUUZWFO-KBXCAEBGSA-N 2 2 309.438 4.127 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCc2ccccc21 ZINC000542465287 341008455 /nfs/dbraw/zinc/00/84/55/341008455.db2.gz DPKUTGTZGNEBMS-LJQANCHMSA-N 2 2 323.465 4.443 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCc2ccccc21 ZINC000542465287 341008456 /nfs/dbraw/zinc/00/84/56/341008456.db2.gz DPKUTGTZGNEBMS-LJQANCHMSA-N 2 2 323.465 4.443 20 0 DIADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccccc1 ZINC000542467125 341008492 /nfs/dbraw/zinc/00/84/92/341008492.db2.gz WODHPMUUUUZWFO-RDTXWAMCSA-N 2 2 309.438 4.127 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccccc1 ZINC000542467125 341008493 /nfs/dbraw/zinc/00/84/93/341008493.db2.gz WODHPMUUUUZWFO-RDTXWAMCSA-N 2 2 309.438 4.127 20 0 DIADLP CC(C)[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000542848449 341023503 /nfs/dbraw/zinc/02/35/03/341023503.db2.gz ZMNUDVFVVPJTAH-GOSISDBHSA-N 2 2 319.399 4.149 20 0 DIADLP CCC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(OC)cc1 ZINC000130566702 341028388 /nfs/dbraw/zinc/02/83/88/341028388.db2.gz RXWBFWDSPXXDGN-IBGZPJMESA-N 2 2 323.440 4.016 20 0 DIADLP Cc1ccc([C@@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544348881 341077257 /nfs/dbraw/zinc/07/72/57/341077257.db2.gz SLBFNORFNSJYNP-OAHLLOKOSA-N 2 2 311.454 4.435 20 0 DIADLP Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544348881 341077258 /nfs/dbraw/zinc/07/72/58/341077258.db2.gz SLBFNORFNSJYNP-OAHLLOKOSA-N 2 2 311.454 4.435 20 0 DIADLP Cc1ccccc1C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000544349188 341077345 /nfs/dbraw/zinc/07/73/45/341077345.db2.gz VHGCKIWQOIQPCY-UHFFFAOYSA-N 2 2 323.465 4.407 20 0 DIADLP Cc1ccccc1C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000544349188 341077346 /nfs/dbraw/zinc/07/73/46/341077346.db2.gz VHGCKIWQOIQPCY-UHFFFAOYSA-N 2 2 323.465 4.407 20 0 DIADLP C[C@@H](C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000544351637 341077618 /nfs/dbraw/zinc/07/76/18/341077618.db2.gz RNEVVWUESLGYPW-HNNXBMFYSA-N 2 2 311.454 4.169 20 0 DIADLP C[C@@H](C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000544351637 341077619 /nfs/dbraw/zinc/07/76/19/341077619.db2.gz RNEVVWUESLGYPW-HNNXBMFYSA-N 2 2 311.454 4.169 20 0 DIADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000546228671 341158190 /nfs/dbraw/zinc/15/81/90/341158190.db2.gz ZQKODBCAMSXBMI-QGZVFWFLSA-N 2 2 309.457 4.018 20 0 DIADLP CCC(CC)(C[NH2+]Cc1cccn1C)[NH2+][C@H](C)c1ccccc1 ZINC000236906259 341204146 /nfs/dbraw/zinc/20/41/46/341204146.db2.gz UVFNDBQGSYQRIZ-QGZVFWFLSA-N 2 2 313.489 4.024 20 0 DIADLP Cc1cccn2c(C[NH2+]C(C)(C)CCc3ccccc3)c[nH+]c12 ZINC000237771577 341220363 /nfs/dbraw/zinc/22/03/63/341220363.db2.gz TYEHKNHJWBXVMJ-UHFFFAOYSA-N 2 2 307.441 4.144 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(C(C)C)n1 ZINC000547842955 341237108 /nfs/dbraw/zinc/23/71/08/341237108.db2.gz DFBZVWNJKNKOPJ-RDJZCZTQSA-N 2 2 323.550 4.257 20 0 DIADLP CC(C)CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000549143356 341287219 /nfs/dbraw/zinc/28/72/19/341287219.db2.gz YMIXFYWSBAEFQY-FQEVSTJZSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549524216 341296177 /nfs/dbraw/zinc/29/61/77/341296177.db2.gz GPUTVPYWMWIABM-NJAFHUGGSA-N 2 2 319.452 4.277 20 0 DIADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549524217 341296194 /nfs/dbraw/zinc/29/61/94/341296194.db2.gz GPUTVPYWMWIABM-SZMVWBNQSA-N 2 2 319.452 4.277 20 0 DIADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000246042406 341322734 /nfs/dbraw/zinc/32/27/34/341322734.db2.gz SBDSTNFFFJHGOI-RDTXWAMCSA-N 2 2 318.486 4.076 20 0 DIADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000246042406 341322735 /nfs/dbraw/zinc/32/27/35/341322735.db2.gz SBDSTNFFFJHGOI-RDTXWAMCSA-N 2 2 318.486 4.076 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC[C@H](c3ccccc3)C1)CCCC2 ZINC000551620469 341347264 /nfs/dbraw/zinc/34/72/64/341347264.db2.gz XRFMUNVGPGMQET-RBUKOAKNSA-N 2 2 323.484 4.426 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2ccccc2o1 ZINC000551813501 341352724 /nfs/dbraw/zinc/35/27/24/341352724.db2.gz UVUJIPKWECRZFT-FQEVSTJZSA-N 2 2 323.440 4.453 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2c(s1)CCCC2 ZINC000551814509 341352865 /nfs/dbraw/zinc/35/28/65/341352865.db2.gz QYGAPMSRCNTVJW-CYBMUJFWSA-N 2 2 315.486 4.011 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1C(C)(C)C ZINC000551817039 341353049 /nfs/dbraw/zinc/35/30/49/341353049.db2.gz HUARULHRRBCTJE-OAHLLOKOSA-N 2 2 311.473 4.368 20 0 DIADLP COc1cccc([C@H](C[NH2+]C2CCC(C)CC2)[NH+]2CCCC2)c1 ZINC000551955911 341355965 /nfs/dbraw/zinc/35/59/65/341355965.db2.gz ADDBYYLSLBWGGM-NLPFYKDJSA-N 2 2 316.489 4.000 20 0 DIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000089512913 341405136 /nfs/dbraw/zinc/40/51/36/341405136.db2.gz RCCONRFTSOMJMJ-CYBMUJFWSA-N 2 2 324.896 4.262 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CC[C@H]3C3CC3)ccc2n1C1CC1 ZINC000554095600 341444124 /nfs/dbraw/zinc/44/41/24/341444124.db2.gz QZVCKCAZMQTYEL-IRXDYDNUSA-N 2 2 309.457 4.212 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1(c2ccccc2)CCCC1 ZINC000554742781 341462950 /nfs/dbraw/zinc/46/29/50/341462950.db2.gz YYPMUXXGHJWIQA-QGZVFWFLSA-N 2 2 323.484 4.210 20 0 DIADLP CCCOCc1ccccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000554856406 341466940 /nfs/dbraw/zinc/46/69/40/341466940.db2.gz RELCWQPMWDDZJM-UHFFFAOYSA-N 2 2 312.457 4.039 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccs1 ZINC000152792780 341506078 /nfs/dbraw/zinc/50/60/78/341506078.db2.gz PYGGXCGXHGNHBG-MRXNPFEDSA-N 2 2 317.502 4.200 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000261906554 341509031 /nfs/dbraw/zinc/50/90/31/341509031.db2.gz PMQDTKQVJBYQAY-UVBJJODRSA-N 2 2 318.367 4.083 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000565331267 341524129 /nfs/dbraw/zinc/52/41/29/341524129.db2.gz HKULNXDXAQKLQX-AWEZNQCLSA-N 2 2 317.502 4.427 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)c2sccc21 ZINC000565404469 341526489 /nfs/dbraw/zinc/52/64/89/341526489.db2.gz CHHRNSXMNRXHTF-IUODEOHRSA-N 2 2 301.459 4.009 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000567045321 341576585 /nfs/dbraw/zinc/57/65/85/341576585.db2.gz DIEHWECGYMSFRQ-GJZGRUSLSA-N 2 2 300.368 4.033 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312616104 341626769 /nfs/dbraw/zinc/62/67/69/341626769.db2.gz DKQWHZFAHWAYSZ-UHFFFAOYSA-N 2 2 307.290 4.019 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000567936213 341641557 /nfs/dbraw/zinc/64/15/57/341641557.db2.gz LXYFXQYEZPAVJN-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP C/C(=C\c1ccccc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000569052457 341689442 /nfs/dbraw/zinc/68/94/42/341689442.db2.gz MPFBZYVMTVHIOQ-KNTRCKAVSA-N 2 2 323.484 4.479 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000574671160 341765388 /nfs/dbraw/zinc/76/53/88/341765388.db2.gz OCXNEUOIVVCMBY-MRXNPFEDSA-N 2 2 311.473 4.065 20 0 DIADLP CCCc1[nH+]ccn1Cc1ccccc1Cn1cc[nH+]c1CCC ZINC000158255744 521553619 /nfs/dbraw/zinc/55/36/19/521553619.db2.gz XRCNSPIGBCSBHW-UHFFFAOYSA-N 2 2 322.456 4.081 20 0 DIADLP CCC(CC)c1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)on1 ZINC000354501688 521634006 /nfs/dbraw/zinc/63/40/06/521634006.db2.gz MGTFPBIZZLDLAX-UHFFFAOYSA-N 2 2 301.434 4.004 20 0 DIADLP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1OC ZINC000156221307 522831640 /nfs/dbraw/zinc/83/16/40/522831640.db2.gz XBRPMQDSHWPVKX-MRXNPFEDSA-N 2 2 323.440 4.245 20 0 DIADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000226331318 524859516 /nfs/dbraw/zinc/85/95/16/524859516.db2.gz AQFILDQCGIJPIR-GVXVVHGQSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000226331318 524859526 /nfs/dbraw/zinc/85/95/26/524859526.db2.gz AQFILDQCGIJPIR-GVXVVHGQSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000338327322 524961345 /nfs/dbraw/zinc/96/13/45/524961345.db2.gz ZJBVILCLOIYYHC-INIZCTEOSA-N 2 2 323.465 4.213 20 0 DIADLP C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182213822 525285421 /nfs/dbraw/zinc/28/54/21/525285421.db2.gz CEOVPTHLFJPMJX-HNNXBMFYSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC000339447369 525846931 /nfs/dbraw/zinc/84/69/31/525846931.db2.gz HPCFJVDUHMHEOT-SFTDATJTSA-N 2 2 317.436 4.156 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000189826945 525898319 /nfs/dbraw/zinc/89/83/19/525898319.db2.gz MHJOMASXFYFGOV-VQTJNVASSA-N 2 2 309.457 4.030 20 0 DIADLP Cc1ccc([C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCC2)cc1 ZINC000367440084 525970800 /nfs/dbraw/zinc/97/08/00/525970800.db2.gz ZKMFMQZDCYDOEF-HXUWFJFHSA-N 2 2 309.457 4.159 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265452981 526055702 /nfs/dbraw/zinc/05/57/02/526055702.db2.gz CQPQQLQYNBTBMV-LLVKDONJSA-N 2 2 307.800 4.143 20 0 DIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266762732 526177877 /nfs/dbraw/zinc/17/78/77/526177877.db2.gz QLQINZCKOOVNNK-AWEZNQCLSA-N 2 2 322.412 4.005 20 0 DIADLP Cc1ccc2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC001165047041 721969790 /nfs/dbraw/zinc/96/97/90/721969790.db2.gz IGBMALKDFMTQEU-LJQANCHMSA-N 2 2 323.484 4.388 20 0 DIADLP C[NH2+]CC1CC[NH+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000647494517 1040704068 /nfs/dbraw/zinc/70/40/68/1040704068.db2.gz WDPBLALWFBQHTJ-UHFFFAOYSA-N 2 2 321.679 4.078 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000066236818 1035557451 /nfs/dbraw/zinc/55/74/51/1035557451.db2.gz POJODJYZBLTLPT-HXUWFJFHSA-N 2 2 323.415 4.498 20 0 DIADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000037158361 1035957187 /nfs/dbraw/zinc/95/71/87/1035957187.db2.gz BXMJOYYECRCERD-NHYWBVRUSA-N 2 2 312.244 4.319 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000037211051 1035960947 /nfs/dbraw/zinc/96/09/47/1035960947.db2.gz UNMHAGSLSVAFCS-OAHLLOKOSA-N 2 2 302.384 4.002 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000037319112 1036017832 /nfs/dbraw/zinc/01/78/32/1036017832.db2.gz UPBLLBAOBCRXSG-ZDUSSCGKSA-N 2 2 312.860 4.394 20 0 DIADLP COc1c(C)cccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655810265 1036561253 /nfs/dbraw/zinc/56/12/53/1036561253.db2.gz JGTNYUVCKXHAIY-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[N@H+](CCC[NH2+]Cc1ccsc1Cl)Cc1ccccc1 ZINC000312561391 1036585328 /nfs/dbraw/zinc/58/53/28/1036585328.db2.gz UJMBWGYXEJDDPV-UHFFFAOYSA-N 2 2 308.878 4.013 20 0 DIADLP C[N@@H+](CCC[NH2+]Cc1ccsc1Cl)Cc1ccccc1 ZINC000312561391 1036585334 /nfs/dbraw/zinc/58/53/34/1036585334.db2.gz UJMBWGYXEJDDPV-UHFFFAOYSA-N 2 2 308.878 4.013 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683690741 1036711094 /nfs/dbraw/zinc/71/10/94/1036711094.db2.gz PPKCYGISVQTRHC-NJAFHUGGSA-N 2 2 311.473 4.118 20 0 DIADLP Clc1sccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312621649 1036804906 /nfs/dbraw/zinc/80/49/06/1036804906.db2.gz KJODRGWEFQSQEA-HNNXBMFYSA-N 2 2 320.889 4.013 20 0 DIADLP Clc1sccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312621649 1036804925 /nfs/dbraw/zinc/80/49/25/1036804925.db2.gz KJODRGWEFQSQEA-HNNXBMFYSA-N 2 2 320.889 4.013 20 0 DIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCCC2)s1 ZINC000349350291 1037296758 /nfs/dbraw/zinc/29/67/58/1037296758.db2.gz PEPUCYAFAFBHKI-UHFFFAOYSA-N 2 2 321.534 4.109 20 0 DIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCCC2)s1 ZINC000349350291 1037296777 /nfs/dbraw/zinc/29/67/77/1037296777.db2.gz PEPUCYAFAFBHKI-UHFFFAOYSA-N 2 2 321.534 4.109 20 0 DIADLP c1cn(C2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)c[nH+]1 ZINC000581847399 1038022781 /nfs/dbraw/zinc/02/27/81/1038022781.db2.gz IKYMMPSPRQKPKZ-UHFFFAOYSA-N 2 2 309.457 4.378 20 0 DIADLP CC(C)CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000341456415 1038042931 /nfs/dbraw/zinc/04/29/31/1038042931.db2.gz APYGKAKDZNQXLE-QGZVFWFLSA-N 2 2 305.853 4.304 20 0 DIADLP Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000090418408 1038115310 /nfs/dbraw/zinc/11/53/10/1038115310.db2.gz KSMOOAYNIHRHIG-QWHCGFSZSA-N 2 2 312.442 4.049 20 0 DIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000341714980 1038243753 /nfs/dbraw/zinc/24/37/53/1038243753.db2.gz USKKPZLNNYXVHL-GOSISDBHSA-N 2 2 313.420 4.080 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)oc1C ZINC000669700308 1038289265 /nfs/dbraw/zinc/28/92/65/1038289265.db2.gz PODVFGVDZMJWCA-QAPCUYQASA-N 2 2 323.440 4.265 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)c[nH+]1 ZINC000151352336 1038436229 /nfs/dbraw/zinc/43/62/29/1038436229.db2.gz SRTYSLRHRAQPEE-NRFANRHFSA-N 2 2 317.436 4.099 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1csc(Cl)c1 ZINC000230408304 1038565886 /nfs/dbraw/zinc/56/58/86/1038565886.db2.gz DXXVQWCRGBYVKU-YPMHNXCESA-N 2 2 311.882 4.364 20 0 DIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152272461 1038600709 /nfs/dbraw/zinc/60/07/09/1038600709.db2.gz QBLQMFKMEXBMAR-XOBRGWDASA-N 2 2 321.399 4.035 20 0 DIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152756382 1038717415 /nfs/dbraw/zinc/71/74/15/1038717415.db2.gz BZNREMNKFFWBRI-OAHLLOKOSA-N 2 2 323.440 4.167 20 0 DIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)[C@@H]1c1cccs1 ZINC000608060045 1038760787 /nfs/dbraw/zinc/76/07/87/1038760787.db2.gz YMDOJSGFOHJLCB-BLLLJJGKSA-N 2 2 324.877 4.167 20 0 DIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)[C@@H]1c1cccs1 ZINC000608060045 1038760796 /nfs/dbraw/zinc/76/07/96/1038760796.db2.gz YMDOJSGFOHJLCB-BLLLJJGKSA-N 2 2 324.877 4.167 20 0 DIADLP CCc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000608070194 1038764286 /nfs/dbraw/zinc/76/42/86/1038764286.db2.gz ATWVWOVCEOBQNJ-INIZCTEOSA-N 2 2 305.425 4.286 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000608072914 1038765882 /nfs/dbraw/zinc/76/58/82/1038765882.db2.gz MJNYZNPWKHLSIQ-OJLWIZQOSA-N 2 2 317.436 4.007 20 0 DIADLP C[C@H]1CC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@H](C)C1 ZINC000657590193 1038890061 /nfs/dbraw/zinc/89/00/61/1038890061.db2.gz XBAYQCZEHUHHMR-ZIAGYGMSSA-N 2 2 320.443 4.065 20 0 DIADLP Clc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000343146185 1039239918 /nfs/dbraw/zinc/23/99/18/1039239918.db2.gz FJQPXUOYTAHLEP-UHFFFAOYSA-N 2 2 324.255 4.245 20 0 DIADLP Clc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000343146185 1039239923 /nfs/dbraw/zinc/23/99/23/1039239923.db2.gz FJQPXUOYTAHLEP-UHFFFAOYSA-N 2 2 324.255 4.245 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3occc32)CC[N@@H+]1Cc1ccccc1 ZINC000359100950 1039247852 /nfs/dbraw/zinc/24/78/52/1039247852.db2.gz BLFASJRJGCZVIQ-KPFFTGBYSA-N 2 2 324.468 4.300 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3occc32)CC[N@H+]1Cc1ccccc1 ZINC000359100950 1039247858 /nfs/dbraw/zinc/24/78/58/1039247858.db2.gz BLFASJRJGCZVIQ-KPFFTGBYSA-N 2 2 324.468 4.300 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000539495867 1039276156 /nfs/dbraw/zinc/27/61/56/1039276156.db2.gz GSHPODPXUJTELE-PMPSAXMXSA-N 2 2 314.473 4.437 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000539495867 1039276169 /nfs/dbraw/zinc/27/61/69/1039276169.db2.gz GSHPODPXUJTELE-PMPSAXMXSA-N 2 2 314.473 4.437 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821354 1039349980 /nfs/dbraw/zinc/34/99/80/1039349980.db2.gz ALYWBHRZOITOGT-CQSZACIVSA-N 2 2 320.864 4.250 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821354 1039349997 /nfs/dbraw/zinc/34/99/97/1039349997.db2.gz ALYWBHRZOITOGT-CQSZACIVSA-N 2 2 320.864 4.250 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821354 1039350004 /nfs/dbraw/zinc/35/00/04/1039350004.db2.gz ALYWBHRZOITOGT-CQSZACIVSA-N 2 2 320.864 4.250 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821354 1039350017 /nfs/dbraw/zinc/35/00/17/1039350017.db2.gz ALYWBHRZOITOGT-CQSZACIVSA-N 2 2 320.864 4.250 20 0 DIADLP Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000126938657 1039412839 /nfs/dbraw/zinc/41/28/39/1039412839.db2.gz URTOLIQORVGANH-CHWSQXEVSA-N 2 2 312.442 4.049 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC000647316257 1039521795 /nfs/dbraw/zinc/52/17/95/1039521795.db2.gz WUJXALJEYPIQMQ-UHFFFAOYSA-N 2 2 306.881 4.182 20 0 DIADLP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151319094 1039539953 /nfs/dbraw/zinc/53/99/53/1039539953.db2.gz LIKLLESQPVEYDH-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000540987143 1039605486 /nfs/dbraw/zinc/60/54/86/1039605486.db2.gz UKCIPJGOPHOSMC-QEORTHHSSA-N 2 2 312.860 4.249 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000540987143 1039605493 /nfs/dbraw/zinc/60/54/93/1039605493.db2.gz UKCIPJGOPHOSMC-QEORTHHSSA-N 2 2 312.860 4.249 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182856 1039659651 /nfs/dbraw/zinc/65/96/51/1039659651.db2.gz JYBAIYANYCURBN-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182856 1039659659 /nfs/dbraw/zinc/65/96/59/1039659659.db2.gz JYBAIYANYCURBN-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182856 1039659669 /nfs/dbraw/zinc/65/96/69/1039659669.db2.gz JYBAIYANYCURBN-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182856 1039659673 /nfs/dbraw/zinc/65/96/73/1039659673.db2.gz JYBAIYANYCURBN-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP C[C@H]([NH2+]Cc1c(F)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599548 1039712425 /nfs/dbraw/zinc/71/24/25/1039712425.db2.gz JMFCEFDEMQIBPM-UONOGXRCSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@H]([NH2+]Cc1c(F)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599548 1039712442 /nfs/dbraw/zinc/71/24/42/1039712442.db2.gz JMFCEFDEMQIBPM-UONOGXRCSA-N 2 2 324.871 4.222 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000628199605 1039726587 /nfs/dbraw/zinc/72/65/87/1039726587.db2.gz ZSKDJOIUKXUYFJ-RHSMWYFYSA-N 2 2 310.432 4.093 20 0 DIADLP C[C@@H]([NH2+]CCSc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542010756 1039779810 /nfs/dbraw/zinc/77/98/10/1039779810.db2.gz CKLULTIZYHOTKH-MRXNPFEDSA-N 2 2 323.465 4.315 20 0 DIADLP Cc1ccccc1[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132036 1039795136 /nfs/dbraw/zinc/79/51/36/1039795136.db2.gz GUGYISPSWWAYQY-SFHVURJKSA-N 2 2 311.473 4.445 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151685596 1039858562 /nfs/dbraw/zinc/85/85/62/1039858562.db2.gz SLWUBXBROUAWAC-JKSUJKDBSA-N 2 2 309.413 4.137 20 0 DIADLP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072403 1039865055 /nfs/dbraw/zinc/86/50/55/1039865055.db2.gz SNNWVRSEHCWDLQ-CQSZACIVSA-N 2 2 309.413 4.098 20 0 DIADLP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072403 1039865079 /nfs/dbraw/zinc/86/50/79/1039865079.db2.gz SNNWVRSEHCWDLQ-CQSZACIVSA-N 2 2 309.413 4.098 20 0 DIADLP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072401 1039867128 /nfs/dbraw/zinc/86/71/28/1039867128.db2.gz SNNWVRSEHCWDLQ-AWEZNQCLSA-N 2 2 309.413 4.098 20 0 DIADLP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072401 1039867153 /nfs/dbraw/zinc/86/71/53/1039867153.db2.gz SNNWVRSEHCWDLQ-AWEZNQCLSA-N 2 2 309.413 4.098 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 ZINC000092767191 1039886167 /nfs/dbraw/zinc/88/61/67/1039886167.db2.gz WYCFWALIYHLXAZ-UONOGXRCSA-N 2 2 324.403 4.127 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000093115803 1039897530 /nfs/dbraw/zinc/89/75/30/1039897530.db2.gz PMIRMJGJIMTIMI-HXUWFJFHSA-N 2 2 321.399 4.179 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cscc1Cl ZINC000685462778 1040062760 /nfs/dbraw/zinc/06/27/60/1040062760.db2.gz YOAOQZJPNBLGDH-UHFFFAOYSA-N 2 2 311.882 4.073 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cscc1Cl ZINC000685462778 1040062777 /nfs/dbraw/zinc/06/27/77/1040062777.db2.gz YOAOQZJPNBLGDH-UHFFFAOYSA-N 2 2 311.882 4.073 20 0 DIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000177206121 1040111908 /nfs/dbraw/zinc/11/19/08/1040111908.db2.gz MBVYLHWOBYTYJF-QGZVFWFLSA-N 2 2 311.473 4.032 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000685617338 1040161693 /nfs/dbraw/zinc/16/16/93/1040161693.db2.gz JWBBNCYIROJZKN-ILZDJORESA-N 2 2 323.484 4.286 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000685662162 1040204154 /nfs/dbraw/zinc/20/41/54/1040204154.db2.gz QZZBQQDDMXKTHY-FXAWDEMLSA-N 2 2 309.457 4.097 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc2ccccc21 ZINC000685662144 1040204748 /nfs/dbraw/zinc/20/47/48/1040204748.db2.gz KJZCXGIBVXVSQZ-QAPCUYQASA-N 2 2 305.425 4.161 20 0 DIADLP c1csc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000101544134 1040228053 /nfs/dbraw/zinc/22/80/53/1040228053.db2.gz NYAFVYFCMOXSGA-UHFFFAOYSA-N 2 2 309.438 4.098 20 0 DIADLP c1csc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000101544134 1040228066 /nfs/dbraw/zinc/22/80/66/1040228066.db2.gz NYAFVYFCMOXSGA-UHFFFAOYSA-N 2 2 309.438 4.098 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000152258457 1040592757 /nfs/dbraw/zinc/59/27/57/1040592757.db2.gz REBYHKFGYIGOSG-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP CCC(CC)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)SC ZINC000318446182 1040677110 /nfs/dbraw/zinc/67/71/10/1040677110.db2.gz QJGRVNTUFUDYNL-OAHLLOKOSA-N 2 2 317.502 4.445 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cccc[nH+]3)cc2)C1 ZINC000613516321 1041073284 /nfs/dbraw/zinc/07/32/84/1041073284.db2.gz DUWHMKQQKGNRSU-CALCHBBNSA-N 2 2 309.457 4.172 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cccc[nH+]3)cc2)C1 ZINC000613516321 1041073297 /nfs/dbraw/zinc/07/32/97/1041073297.db2.gz DUWHMKQQKGNRSU-CALCHBBNSA-N 2 2 309.457 4.172 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(F)(F)F ZINC000414371583 1041186189 /nfs/dbraw/zinc/18/61/89/1041186189.db2.gz NAIWLGXPOWEGOT-CQSZACIVSA-N 2 2 323.362 4.117 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(F)(F)F ZINC000414371583 1041186202 /nfs/dbraw/zinc/18/62/02/1041186202.db2.gz NAIWLGXPOWEGOT-CQSZACIVSA-N 2 2 323.362 4.117 20 0 DIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000423231373 1041210589 /nfs/dbraw/zinc/21/05/89/1041210589.db2.gz AUCPWIJVUBRXMB-QTISTPMNSA-N 2 2 314.395 4.033 20 0 DIADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000423231375 1041211360 /nfs/dbraw/zinc/21/13/60/1041211360.db2.gz AUCPWIJVUBRXMB-XCAIRMDXSA-N 2 2 314.395 4.033 20 0 DIADLP CCCCCC[C@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001170587382 1041263183 /nfs/dbraw/zinc/26/31/83/1041263183.db2.gz PVIQUKFZDQRIAR-KRWDZBQOSA-N 2 2 303.494 4.389 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccc2ccccc21 ZINC000810211921 1041349400 /nfs/dbraw/zinc/34/94/00/1041349400.db2.gz XWPHKPIRCIWDNK-CRAIPNDOSA-N 2 2 322.456 4.197 20 0 DIADLP CC[C@@H](C)C[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812836201 1041655545 /nfs/dbraw/zinc/65/55/45/1041655545.db2.gz SFSVBDGXXMEYMO-SJORKVTESA-N 2 2 317.521 4.136 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000783226297 1041729661 /nfs/dbraw/zinc/72/96/61/1041729661.db2.gz ZVGYCSUOOVJRTO-FHWLQOOXSA-N 2 2 311.473 4.224 20 0 DIADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H](c3ccccc3)[C@@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC001170729746 1041776523 /nfs/dbraw/zinc/77/65/23/1041776523.db2.gz GEMZDEHOEYMLOF-HGJUEJDCSA-N 2 2 320.480 4.452 20 0 DIADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680423 1041850874 /nfs/dbraw/zinc/85/08/74/1041850874.db2.gz YIVTXIFWOUJVAD-INIZCTEOSA-N 2 2 312.432 4.141 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000815118817 1041915601 /nfs/dbraw/zinc/91/56/01/1041915601.db2.gz MKHNMPRWOQWRJE-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H](c2ccccc2)C1 ZINC000323415520 1041920724 /nfs/dbraw/zinc/92/07/24/1041920724.db2.gz RDWGSBILJSIITF-IHPCNDPISA-N 2 2 311.473 4.225 20 0 DIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817893718 1042128333 /nfs/dbraw/zinc/12/83/33/1042128333.db2.gz GWWLTCUOACMBRP-QLFBSQMISA-N 2 2 317.502 4.258 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(SC(F)F)cc1 ZINC000817955081 1042131799 /nfs/dbraw/zinc/13/17/99/1042131799.db2.gz QBIUIMNTVSWDQU-MLGOLLRUSA-N 2 2 322.424 4.352 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000317173300 1042213420 /nfs/dbraw/zinc/21/34/20/1042213420.db2.gz OWJJVILQTAKQLM-HNNXBMFYSA-N 2 2 307.388 4.025 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000317239144 1042217431 /nfs/dbraw/zinc/21/74/31/1042217431.db2.gz MCPAVUMYWYJVHU-IAGOWNOFSA-N 2 2 317.864 4.228 20 0 DIADLP C[C@H](Cc1cccs1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000643524947 1042221856 /nfs/dbraw/zinc/22/18/56/1042221856.db2.gz AKVGFWGPAPFYKJ-AUUYWEPGSA-N 2 2 310.466 4.122 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246178199 1042283077 /nfs/dbraw/zinc/28/30/77/1042283077.db2.gz XUTISXXRIGTSLF-OCCSQVGLSA-N 2 2 315.288 4.250 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000162866376 1042299609 /nfs/dbraw/zinc/29/96/09/1042299609.db2.gz HSDQXZOBTZFCDI-SFHVURJKSA-N 2 2 313.445 4.023 20 0 DIADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000021808438 1042325716 /nfs/dbraw/zinc/32/57/16/1042325716.db2.gz DYJGNVUIHLIPAT-ZDUSSCGKSA-N 2 2 315.288 4.348 20 0 DIADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000021808438 1042325725 /nfs/dbraw/zinc/32/57/25/1042325725.db2.gz DYJGNVUIHLIPAT-ZDUSSCGKSA-N 2 2 315.288 4.348 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152090553 1042412552 /nfs/dbraw/zinc/41/25/52/1042412552.db2.gz RACQIHAENRGSAX-BJLQDIEVSA-N 2 2 317.521 4.098 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152090553 1042412556 /nfs/dbraw/zinc/41/25/56/1042412556.db2.gz RACQIHAENRGSAX-BJLQDIEVSA-N 2 2 317.521 4.098 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000152103180 1042415213 /nfs/dbraw/zinc/41/52/13/1042415213.db2.gz MOYFJANZODDEEU-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1F ZINC000419286883 1042461416 /nfs/dbraw/zinc/46/14/16/1042461416.db2.gz GDVRFLJNJNZQOZ-LBPRGKRZSA-N 2 2 310.844 4.147 20 0 DIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000421824858 1042653626 /nfs/dbraw/zinc/65/36/26/1042653626.db2.gz KQLBDTBNVBYTTO-ZDUSSCGKSA-N 2 2 322.880 4.016 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000271750450 1042667303 /nfs/dbraw/zinc/66/73/03/1042667303.db2.gz HKMJZVIDHWLTEP-NRFANRHFSA-N 2 2 319.452 4.418 20 0 DIADLP CCSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423241196 1042702534 /nfs/dbraw/zinc/70/25/34/1042702534.db2.gz LCXJJMHRCAKEFO-KDOFPFPSSA-N 2 2 300.471 4.149 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423366356 1042708494 /nfs/dbraw/zinc/70/84/94/1042708494.db2.gz QEXQNSYUDHRPEF-TWOQFEAHSA-N 2 2 324.468 4.011 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000514230474 1042776518 /nfs/dbraw/zinc/77/65/18/1042776518.db2.gz YQNHWTMWUWTUFI-LSDHHAIUSA-N 2 2 319.399 4.348 20 0 DIADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319806524 1042870076 /nfs/dbraw/zinc/87/00/76/1042870076.db2.gz IBXULNMTLGUVMB-MAUKXSAKSA-N 2 2 315.461 4.047 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2F)CC1 ZINC000425955938 1042886439 /nfs/dbraw/zinc/88/64/39/1042886439.db2.gz URTGUBDOPJQEPT-UHFFFAOYSA-N 2 2 304.453 4.056 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925058724 1042925593 /nfs/dbraw/zinc/92/55/93/1042925593.db2.gz WAXJMOHFJMUBBE-MIGBEJBISA-N 2 2 318.530 4.132 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2cccs2)cc1 ZINC000519484406 1042950565 /nfs/dbraw/zinc/95/05/65/1042950565.db2.gz JHRFUHDIRYHMFV-XJKSGUPXSA-N 2 2 323.465 4.346 20 0 DIADLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000237145761 1042955563 /nfs/dbraw/zinc/95/55/63/1042955563.db2.gz XXHZRCPBPIAUCY-UHFFFAOYSA-N 2 2 323.484 4.138 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1(c2ccccc2)CCCC1 ZINC000519560497 1042969847 /nfs/dbraw/zinc/96/98/47/1042969847.db2.gz NJJPLZSGKNMNQU-GOSISDBHSA-N 2 2 311.473 4.153 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC000608067819 1042976494 /nfs/dbraw/zinc/97/64/94/1042976494.db2.gz UMHFXLOMDAEDJX-KRWDZBQOSA-N 2 2 311.473 4.156 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353155 1043038095 /nfs/dbraw/zinc/03/80/95/1043038095.db2.gz GKGDEPZVPXXMJK-YJBOKZPZSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353155 1043038098 /nfs/dbraw/zinc/03/80/98/1043038098.db2.gz GKGDEPZVPXXMJK-YJBOKZPZSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441353155 1043038101 /nfs/dbraw/zinc/03/81/01/1043038101.db2.gz GKGDEPZVPXXMJK-YJBOKZPZSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441353155 1043038104 /nfs/dbraw/zinc/03/81/04/1043038104.db2.gz GKGDEPZVPXXMJK-YJBOKZPZSA-N 2 2 310.432 4.222 20 0 DIADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccnc1Cl ZINC000120765203 1043140329 /nfs/dbraw/zinc/14/03/29/1043140329.db2.gz WVGLSTOSTPJCAS-AWEZNQCLSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccnc1Cl ZINC000120765203 1043140337 /nfs/dbraw/zinc/14/03/37/1043140337.db2.gz WVGLSTOSTPJCAS-AWEZNQCLSA-N 2 2 309.885 4.040 20 0 DIADLP CC(C)CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427879364 1043308916 /nfs/dbraw/zinc/30/89/16/1043308916.db2.gz SPGYSWQNNGACCS-MOPGFXCFSA-N 2 2 311.473 4.355 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698117 1043324646 /nfs/dbraw/zinc/32/46/46/1043324646.db2.gz DDXSYGNRKNXNOG-VLIAUNLRSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698116 1043325847 /nfs/dbraw/zinc/32/58/47/1043325847.db2.gz DDXSYGNRKNXNOG-VBKZILBWSA-N 2 2 321.399 4.350 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268770474 1043329228 /nfs/dbraw/zinc/32/92/28/1043329228.db2.gz PSEHZBDQVYFGBC-KRWDZBQOSA-N 2 2 319.452 4.345 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000665263439 1043333311 /nfs/dbraw/zinc/33/33/11/1043333311.db2.gz MFPDUYJCMATMFN-JKSUJKDBSA-N 2 2 307.224 4.228 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc(-n2cc[nH+]c2)c1 ZINC000268922549 1043342470 /nfs/dbraw/zinc/34/24/70/1043342470.db2.gz JZQLWRNEIIQHPU-XOBRGWDASA-N 2 2 321.399 4.350 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1Cl ZINC000269051905 1043354480 /nfs/dbraw/zinc/35/44/80/1043354480.db2.gz WAPWHTSIBYMLKZ-LBPRGKRZSA-N 2 2 310.844 4.147 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000442777050 1043417076 /nfs/dbraw/zinc/41/70/76/1043417076.db2.gz FOVAHAXWYBDWOR-GJZGRUSLSA-N 2 2 315.486 4.142 20 0 DIADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000925761555 1043466699 /nfs/dbraw/zinc/46/66/99/1043466699.db2.gz XETSOTGBZFLYAA-AWEZNQCLSA-N 2 2 315.486 4.074 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c2ccccc21 ZINC000925824592 1043477814 /nfs/dbraw/zinc/47/78/14/1043477814.db2.gz BILWTJPFTWPOPY-QYZOEREBSA-N 2 2 320.436 4.167 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c2ccccc21 ZINC000925824589 1043478180 /nfs/dbraw/zinc/47/81/80/1043478180.db2.gz BILWTJPFTWPOPY-GUDVDZBRSA-N 2 2 320.436 4.167 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000873281235 1043532032 /nfs/dbraw/zinc/53/20/32/1043532032.db2.gz HJAURAMPKAEOQE-STQMWFEESA-N 2 2 312.360 4.001 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000717975592 1043534976 /nfs/dbraw/zinc/53/49/76/1043534976.db2.gz CUSOXFVCFYTKFX-MOPGFXCFSA-N 2 2 300.490 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000717975592 1043534985 /nfs/dbraw/zinc/53/49/85/1043534985.db2.gz CUSOXFVCFYTKFX-MOPGFXCFSA-N 2 2 300.490 4.065 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1C ZINC000718045532 1043554657 /nfs/dbraw/zinc/55/46/57/1043554657.db2.gz XMCGPIPIINJJEA-QFIPXVFZSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1C ZINC000718045532 1043554662 /nfs/dbraw/zinc/55/46/62/1043554662.db2.gz XMCGPIPIINJJEA-QFIPXVFZSA-N 2 2 322.496 4.304 20 0 DIADLP CC(C)CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccoc1 ZINC000353442808 1043609311 /nfs/dbraw/zinc/60/93/11/1043609311.db2.gz DBNGEEHNCSSTFM-SFHVURJKSA-N 2 2 315.461 4.122 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)CC(c1ccccc1)c1ccccc1 ZINC000353525281 1043613555 /nfs/dbraw/zinc/61/35/55/1043613555.db2.gz XQSSYBGPAVLWEW-UHFFFAOYSA-N 2 2 319.452 4.037 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)CC(c1ccccc1)c1ccccc1 ZINC000353525281 1043613564 /nfs/dbraw/zinc/61/35/64/1043613564.db2.gz XQSSYBGPAVLWEW-UHFFFAOYSA-N 2 2 319.452 4.037 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCc3ccccc32)c[nH+]1 ZINC000353593702 1043622237 /nfs/dbraw/zinc/62/22/37/1043622237.db2.gz DNUFOTPBNJANAX-NRFANRHFSA-N 2 2 317.436 4.099 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000353593703 1043623176 /nfs/dbraw/zinc/62/31/76/1043623176.db2.gz DNUFOTPBNJANAX-OAQYLSRUSA-N 2 2 317.436 4.099 20 0 DIADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000353610433 1043623264 /nfs/dbraw/zinc/62/32/64/1043623264.db2.gz MMLGYKWPJRGNOZ-QAPCUYQASA-N 2 2 315.436 4.173 20 0 DIADLP CC(C)(C)C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000353610431 1043623565 /nfs/dbraw/zinc/62/35/65/1043623565.db2.gz MMLGYKWPJRGNOZ-CRAIPNDOSA-N 2 2 315.436 4.173 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000353669236 1043632023 /nfs/dbraw/zinc/63/20/23/1043632023.db2.gz UAMFYHWODJVXQA-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000353674857 1043632179 /nfs/dbraw/zinc/63/21/79/1043632179.db2.gz YJIIXAPBJKCTOU-OAQYLSRUSA-N 2 2 317.436 4.017 20 0 DIADLP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000353758034 1043641595 /nfs/dbraw/zinc/64/15/95/1043641595.db2.gz KAJSZAOSQLLEPA-HNNXBMFYSA-N 2 2 317.864 4.075 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000354025229 1043674073 /nfs/dbraw/zinc/67/40/73/1043674073.db2.gz AJNFERFMVSDTQR-JXFKEZNVSA-N 2 2 303.409 4.065 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000354025229 1043674081 /nfs/dbraw/zinc/67/40/81/1043674081.db2.gz AJNFERFMVSDTQR-JXFKEZNVSA-N 2 2 303.409 4.065 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000474470951 1043793454 /nfs/dbraw/zinc/79/34/54/1043793454.db2.gz KRJJUCLDNLTKQN-VQTJNVASSA-N 2 2 311.473 4.236 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000474795396 1043919031 /nfs/dbraw/zinc/91/90/31/1043919031.db2.gz IKLUDZZQAIIRMX-IRXDYDNUSA-N 2 2 324.553 4.070 20 0 DIADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000474807356 1043926922 /nfs/dbraw/zinc/92/69/22/1043926922.db2.gz IEMQVYYGYKDIIT-UHFFFAOYSA-N 2 2 318.480 4.275 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2OC(C)C)CC1 ZINC001137140636 1043943381 /nfs/dbraw/zinc/94/33/81/1043943381.db2.gz JIJHENQPRAYNEX-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC(C)C)CC1 ZINC001137140636 1043943390 /nfs/dbraw/zinc/94/33/90/1043943390.db2.gz JIJHENQPRAYNEX-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000879950231 1044001897 /nfs/dbraw/zinc/00/18/97/1044001897.db2.gz KMGNQKIPHZPZCL-UHFFFAOYSA-N 2 2 306.416 4.059 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880572128 1044048109 /nfs/dbraw/zinc/04/81/09/1044048109.db2.gz XAAFOMOEACDZAS-HXUWFJFHSA-N 2 2 305.425 4.031 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccco2)c(C)c1 ZINC000358351906 1044056257 /nfs/dbraw/zinc/05/62/57/1044056257.db2.gz MJJURUWVFKNECO-AEFFLSMTSA-N 2 2 309.413 4.185 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)CCC2 ZINC000359512474 1044172161 /nfs/dbraw/zinc/17/21/61/1044172161.db2.gz CXQAXTULVITFJY-HIFRSBDPSA-N 2 2 303.837 4.073 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000359675010 1044189148 /nfs/dbraw/zinc/18/91/48/1044189148.db2.gz MQALEBFTGPOJPV-ZDUSSCGKSA-N 2 2 311.351 4.083 20 0 DIADLP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000347145774 1044199448 /nfs/dbraw/zinc/19/94/48/1044199448.db2.gz YGMZQLDSGJLREV-OAHLLOKOSA-N 2 2 323.362 4.035 20 0 DIADLP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000347145774 1044199455 /nfs/dbraw/zinc/19/94/55/1044199455.db2.gz YGMZQLDSGJLREV-OAHLLOKOSA-N 2 2 323.362 4.035 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1OC ZINC000359946240 1044218895 /nfs/dbraw/zinc/21/88/95/1044218895.db2.gz YZGSMQMOHIBFHD-BBWFWOEESA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1OC ZINC000359946240 1044218902 /nfs/dbraw/zinc/21/89/02/1044218902.db2.gz YZGSMQMOHIBFHD-BBWFWOEESA-N 2 2 322.880 4.016 20 0 DIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387487 1044299092 /nfs/dbraw/zinc/29/90/92/1044299092.db2.gz YTKLJADAUJPRKP-NHCUHLMSSA-N 2 2 317.436 4.210 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccs1 ZINC000883386997 1044300406 /nfs/dbraw/zinc/30/04/06/1044300406.db2.gz PXLKKEYARIVVAN-SJORKVTESA-N 2 2 311.454 4.427 20 0 DIADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386605 1044301023 /nfs/dbraw/zinc/30/10/23/1044301023.db2.gz JHVAKRIWGVASHY-RTWAWAEBSA-N 2 2 317.436 4.210 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)oc1C ZINC000883388400 1044302014 /nfs/dbraw/zinc/30/20/14/1044302014.db2.gz UNPNSXHYCYKOSJ-YJBOKZPZSA-N 2 2 309.413 4.185 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000361007174 1044344592 /nfs/dbraw/zinc/34/45/92/1044344592.db2.gz CQMGNTKDKGILKK-KRWDZBQOSA-N 2 2 319.399 4.293 20 0 DIADLP Cc1[nH+]c2ccc(F)cn2c1Nc1cccc2[nH+]c(C)ccc12 ZINC001212796937 1044351643 /nfs/dbraw/zinc/35/16/43/1044351643.db2.gz NISJXMOKXLTPHD-UHFFFAOYSA-N 2 2 306.344 4.382 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361099079 1044361191 /nfs/dbraw/zinc/36/11/91/1044361191.db2.gz YKFRVTGVZNHVHA-LPHOPBHVSA-N 2 2 317.436 4.253 20 0 DIADLP CCc1ccc([C@H](CC)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000325087277 1044388492 /nfs/dbraw/zinc/38/84/92/1044388492.db2.gz IVDZZTPEYMJBJL-FQEVSTJZSA-N 2 2 323.484 4.354 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000361484375 1044408219 /nfs/dbraw/zinc/40/82/19/1044408219.db2.gz IVBNLWMOSKTWRQ-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000361482514 1044408696 /nfs/dbraw/zinc/40/86/96/1044408696.db2.gz ABXPRMGQTVAVQJ-HXUWFJFHSA-N 2 2 305.425 4.422 20 0 DIADLP Cc1ccc2ccccc2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000361522208 1044414190 /nfs/dbraw/zinc/41/41/90/1044414190.db2.gz AEWMQKUGXCJUJL-UHFFFAOYSA-N 2 2 305.425 4.251 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C)c3ccccc31)CCC2 ZINC000361664746 1044429415 /nfs/dbraw/zinc/42/94/15/1044429415.db2.gz PHTRBXFNWDRFPY-SIXWZSSISA-N 2 2 309.457 4.297 20 0 DIADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000566344143 1044482297 /nfs/dbraw/zinc/48/22/97/1044482297.db2.gz OGZGUPLQYXVCRE-FZMZJTMJSA-N 2 2 324.255 4.315 20 0 DIADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000566344141 1044483618 /nfs/dbraw/zinc/48/36/18/1044483618.db2.gz OGZGUPLQYXVCRE-BXUZGUMPSA-N 2 2 324.255 4.315 20 0 DIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000566554138 1044497962 /nfs/dbraw/zinc/49/79/62/1044497962.db2.gz MLIIVARATDJXLB-WMZOPIPTSA-N 2 2 309.457 4.058 20 0 DIADLP Cc1cc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)oc2cc1C ZINC000475574147 1044515615 /nfs/dbraw/zinc/51/56/15/1044515615.db2.gz VUEIICQWVRFMHR-UHFFFAOYSA-N 2 2 312.457 4.156 20 0 DIADLP Cc1nc(NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc[nH+]1 ZINC000714237919 1044671021 /nfs/dbraw/zinc/67/10/21/1044671021.db2.gz DHZSBEHDRVQCPV-UHFFFAOYSA-N 2 2 324.472 4.032 20 0 DIADLP Cc1nc(NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)cc[nH+]1 ZINC000714237919 1044671024 /nfs/dbraw/zinc/67/10/24/1044671024.db2.gz DHZSBEHDRVQCPV-UHFFFAOYSA-N 2 2 324.472 4.032 20 0 DIADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)[nH+]c1C ZINC000886668638 1044676112 /nfs/dbraw/zinc/67/61/12/1044676112.db2.gz WQDPJOYGUURVIM-ZDUSSCGKSA-N 2 2 319.399 4.245 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000886716462 1044687449 /nfs/dbraw/zinc/68/74/49/1044687449.db2.gz ZISUKPWCFSZZQT-UHFFFAOYSA-N 2 2 308.416 4.075 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000570573973 1044766781 /nfs/dbraw/zinc/76/67/81/1044766781.db2.gz TZRPTLYDVQGTLD-HXUWFJFHSA-N 2 2 311.473 4.493 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000570573971 1044767531 /nfs/dbraw/zinc/76/75/31/1044767531.db2.gz TZRPTLYDVQGTLD-FQEVSTJZSA-N 2 2 311.473 4.493 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H](Cc3ccccc3)C1)CCC2 ZINC000368721072 1044787025 /nfs/dbraw/zinc/78/70/25/1044787025.db2.gz DFPSQVGWDWOYAO-AABGKKOBSA-N 2 2 323.484 4.070 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C)c2C)cn1 ZINC000126327113 1044813132 /nfs/dbraw/zinc/81/31/32/1044813132.db2.gz IPLNSCUNFZPSOZ-INIZCTEOSA-N 2 2 320.440 4.043 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)cn1 ZINC000126368750 1044814675 /nfs/dbraw/zinc/81/46/75/1044814675.db2.gz OLRQPPWQQCQGLV-MRXNPFEDSA-N 2 2 320.440 4.043 20 0 DIADLP CCCc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000573526117 1044910080 /nfs/dbraw/zinc/91/00/80/1044910080.db2.gz VHZNOZDDJLWPAM-UHFFFAOYSA-N 2 2 319.452 4.174 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151710526 1045030160 /nfs/dbraw/zinc/03/01/60/1045030160.db2.gz MLVKRDSIPNCGBB-JKSUJKDBSA-N 2 2 321.424 4.293 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151681321 1045030699 /nfs/dbraw/zinc/03/06/99/1045030699.db2.gz KYNVPHZFRXLQNM-HZPDHXFCSA-N 2 2 321.424 4.293 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151710400 1045030962 /nfs/dbraw/zinc/03/09/62/1045030962.db2.gz MLVKRDSIPNCGBB-HOTGVXAUSA-N 2 2 321.424 4.293 20 0 DIADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151710458 1045031414 /nfs/dbraw/zinc/03/14/14/1045031414.db2.gz MLVKRDSIPNCGBB-CVEARBPZSA-N 2 2 321.424 4.293 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1Cl ZINC000447321430 1045120549 /nfs/dbraw/zinc/12/05/49/1045120549.db2.gz PCGYQSJPUXUCGN-DGCLKSJQSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1Cl ZINC000447321430 1045120554 /nfs/dbraw/zinc/12/05/54/1045120554.db2.gz PCGYQSJPUXUCGN-DGCLKSJQSA-N 2 2 301.261 4.128 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)o1 ZINC000447562359 1045151068 /nfs/dbraw/zinc/15/10/68/1045151068.db2.gz LHLDFSCAZPAPKT-MRXNPFEDSA-N 2 2 323.440 4.035 20 0 DIADLP Cc1ccccc1C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccco1 ZINC000924734076 1045195479 /nfs/dbraw/zinc/19/54/79/1045195479.db2.gz XZJUOEYOBWIWPO-IBGZPJMESA-N 2 2 323.440 4.138 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@H](c2oc3ccccc3c2C)C(C)C)n1C ZINC000578144203 1045214081 /nfs/dbraw/zinc/21/40/81/1045214081.db2.gz LHZLSLBFTOEGDN-SFHVURJKSA-N 2 2 311.429 4.270 20 0 DIADLP C[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000527357564 1045220625 /nfs/dbraw/zinc/22/06/25/1045220625.db2.gz LXIOQOXTNODTHY-CYBMUJFWSA-N 2 2 303.837 4.046 20 0 DIADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925167188 1045232562 /nfs/dbraw/zinc/23/25/62/1045232562.db2.gz AVPCBKYBXNJKAK-ZFWWWQNUSA-N 2 2 309.413 4.166 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1csc2ccccc12 ZINC000925168385 1045233389 /nfs/dbraw/zinc/23/33/89/1045233389.db2.gz HACAWXTVUZFEQX-KBPBESRZSA-N 2 2 311.454 4.326 20 0 DIADLP FC(F)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527750580 1045258856 /nfs/dbraw/zinc/25/88/56/1045258856.db2.gz AJPFDRSINRZTJP-KRWDZBQOSA-N 2 2 308.416 4.121 20 0 DIADLP FC(F)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527750580 1045258863 /nfs/dbraw/zinc/25/88/63/1045258863.db2.gz AJPFDRSINRZTJP-KRWDZBQOSA-N 2 2 308.416 4.121 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527751847 1045258929 /nfs/dbraw/zinc/25/89/29/1045258929.db2.gz ICCQWFHRBVBGHR-IJEWVQPXSA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527751847 1045258938 /nfs/dbraw/zinc/25/89/38/1045258938.db2.gz ICCQWFHRBVBGHR-IJEWVQPXSA-N 2 2 318.427 4.104 20 0 DIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCC1 ZINC000449077404 1045345034 /nfs/dbraw/zinc/34/50/34/1045345034.db2.gz VUAYWRYTUSJVOT-LJQANCHMSA-N 2 2 311.473 4.032 20 0 DIADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000449077499 1045345664 /nfs/dbraw/zinc/34/56/64/1045345664.db2.gz JPFXGRUZZHBTTI-LBVWLFBPSA-N 2 2 322.537 4.109 20 0 DIADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000449077499 1045345668 /nfs/dbraw/zinc/34/56/68/1045345668.db2.gz JPFXGRUZZHBTTI-LBVWLFBPSA-N 2 2 322.537 4.109 20 0 DIADLP C/C(Cl)=C\C[NH+]1CCC[C@H]([N@H+](C)C/C=C(/C)Cl)CC1 ZINC000528424392 1045356227 /nfs/dbraw/zinc/35/62/27/1045356227.db2.gz ZHJUMHUEBDXJIW-VUWMFJLASA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[NH+]1CCC[C@H]([N@@H+](C)C/C=C(/C)Cl)CC1 ZINC000528424392 1045356230 /nfs/dbraw/zinc/35/62/30/1045356230.db2.gz ZHJUMHUEBDXJIW-VUWMFJLASA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[N@H+]1CCC[C@H]([NH+](C)C/C=C(/C)Cl)CC1 ZINC000528424392 1045356232 /nfs/dbraw/zinc/35/62/32/1045356232.db2.gz ZHJUMHUEBDXJIW-VUWMFJLASA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[N@@H+]1CCC[C@H]([NH+](C)C/C=C(/C)Cl)CC1 ZINC000528424392 1045356234 /nfs/dbraw/zinc/35/62/34/1045356234.db2.gz ZHJUMHUEBDXJIW-VUWMFJLASA-N 2 2 305.293 4.058 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cc2ccoc2)c(C)c1 ZINC000449195354 1045358559 /nfs/dbraw/zinc/35/85/59/1045358559.db2.gz VCJCPEITQSQHQH-FXAWDEMLSA-N 2 2 323.440 4.055 20 0 DIADLP CC(C)[N@H+](Cc1cc(Cl)sc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591819 1045372571 /nfs/dbraw/zinc/37/25/71/1045372571.db2.gz WICXDGCAZALOEJ-LBPRGKRZSA-N 2 2 321.317 4.407 20 0 DIADLP CC(C)[N@@H+](Cc1cc(Cl)sc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591819 1045372577 /nfs/dbraw/zinc/37/25/77/1045372577.db2.gz WICXDGCAZALOEJ-LBPRGKRZSA-N 2 2 321.317 4.407 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(C3CC3)ccc2F)CC1 ZINC000449372723 1045383462 /nfs/dbraw/zinc/38/34/62/1045383462.db2.gz LHHHEGSGADKNTK-UHFFFAOYSA-N 2 2 304.453 4.056 20 0 DIADLP c1coc([C@H]2[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC23CCC3)c1 ZINC000449634532 1045424585 /nfs/dbraw/zinc/42/45/85/1045424585.db2.gz RUEVRTJNMJIYOQ-LJQANCHMSA-N 2 2 319.408 4.193 20 0 DIADLP c1coc([C@H]2[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC23CCC3)c1 ZINC000449634532 1045424587 /nfs/dbraw/zinc/42/45/87/1045424587.db2.gz RUEVRTJNMJIYOQ-LJQANCHMSA-N 2 2 319.408 4.193 20 0 DIADLP Cc1ccc([C@@H](C)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000628201806 1045543244 /nfs/dbraw/zinc/54/32/44/1045543244.db2.gz WJAHNPUAPSHHJV-SFHVURJKSA-N 2 2 319.452 4.133 20 0 DIADLP FC(F)(F)c1cccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530221267 1045619945 /nfs/dbraw/zinc/61/99/45/1045619945.db2.gz PGLMZKZDQUHRGM-JKSUJKDBSA-N 2 2 324.390 4.031 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629535974 1045676781 /nfs/dbraw/zinc/67/67/81/1045676781.db2.gz FYLLLZLNSJUBBN-BXWFABGCSA-N 2 2 324.468 4.153 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)c2ccccc21 ZINC000629550160 1045677706 /nfs/dbraw/zinc/67/77/06/1045677706.db2.gz JSDXDPBJGUMLFG-CHWSQXEVSA-N 2 2 312.360 4.001 20 0 DIADLP c1cn(Cc2ccc(-c3cccc([C@@H]4CCC[NH2+]4)c3)cc2)c[nH+]1 ZINC000629741666 1045705878 /nfs/dbraw/zinc/70/58/78/1045705878.db2.gz DGOOMVTZOZAHLB-FQEVSTJZSA-N 2 2 303.409 4.023 20 0 DIADLP CC[C@@H]1Cc2c(cccc2-c2ccc(Cn3cc[nH+]c3)cc2)C[NH2+]1 ZINC000629741987 1045706999 /nfs/dbraw/zinc/70/69/99/1045706999.db2.gz KKZQEPKBNPHBTF-LJQANCHMSA-N 2 2 317.436 4.023 20 0 DIADLP C[C@H]1C[C@@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C[NH2+]1 ZINC000629742100 1045707520 /nfs/dbraw/zinc/70/75/20/1045707520.db2.gz OGLPXILBBIVGKO-HRAATJIYSA-N 2 2 317.436 4.064 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662268 1045710778 /nfs/dbraw/zinc/71/07/78/1045710778.db2.gz ROUVQXDRAGKOCW-KDOFPFPSSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662268 1045710787 /nfs/dbraw/zinc/71/07/87/1045710787.db2.gz ROUVQXDRAGKOCW-KDOFPFPSSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662268 1045710795 /nfs/dbraw/zinc/71/07/95/1045710795.db2.gz ROUVQXDRAGKOCW-KDOFPFPSSA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662268 1045710801 /nfs/dbraw/zinc/71/08/01/1045710801.db2.gz ROUVQXDRAGKOCW-KDOFPFPSSA-N 2 2 310.432 4.080 20 0 DIADLP c1c2ccccc2sc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000754081742 1045845902 /nfs/dbraw/zinc/84/59/02/1045845902.db2.gz OGURACXQASSLPG-UHFFFAOYSA-N 2 2 323.465 4.373 20 0 DIADLP CC(C)C1CC([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000754102377 1045847141 /nfs/dbraw/zinc/84/71/41/1045847141.db2.gz UFXFBPDQPVHZDC-UHFFFAOYSA-N 2 2 315.505 4.064 20 0 DIADLP C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000828766637 1045929640 /nfs/dbraw/zinc/92/96/40/1045929640.db2.gz UMAXDIOOOIIILZ-IUODEOHRSA-N 2 2 324.255 4.107 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000453162001 1045963013 /nfs/dbraw/zinc/96/30/13/1045963013.db2.gz BEBWLTNKJLCLBQ-LPHOPBHVSA-N 2 2 317.521 4.411 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCC1 ZINC000453173260 1045965920 /nfs/dbraw/zinc/96/59/20/1045965920.db2.gz OCLVPYGFGXLXLX-UZLBHIALSA-N 2 2 315.505 4.165 20 0 DIADLP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000902458542 1046000101 /nfs/dbraw/zinc/00/01/01/1046000101.db2.gz VXCWTOFAEIBNHR-LNLFQRSKSA-N 2 2 309.457 4.212 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)s1 ZINC000902759005 1046062102 /nfs/dbraw/zinc/06/21/02/1046062102.db2.gz MXPYHINAXZPYKT-LLVKDONJSA-N 2 2 317.380 4.094 20 0 DIADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1c(C)noc1C ZINC000902888075 1046102306 /nfs/dbraw/zinc/10/23/06/1046102306.db2.gz PXNSHLUQARHZKM-ACJLOTCBSA-N 2 2 324.428 4.279 20 0 DIADLP C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902911041 1046107954 /nfs/dbraw/zinc/10/79/54/1046107954.db2.gz QQYWUHYLCXFECJ-HNNXBMFYSA-N 2 2 321.399 4.351 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+]CCCCn3cc[nH+]c3)oc2cc1C ZINC000532195747 1046112773 /nfs/dbraw/zinc/11/27/73/1046112773.db2.gz WONMXMRPZUSULU-INIZCTEOSA-N 2 2 311.429 4.377 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903087564 1046160606 /nfs/dbraw/zinc/16/06/06/1046160606.db2.gz MZYTZMOSYYDNQH-CYBMUJFWSA-N 2 2 307.388 4.204 20 0 DIADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCc3cccc4cccc2c43)c1 ZINC000903197935 1046192347 /nfs/dbraw/zinc/19/23/47/1046192347.db2.gz XGADVCYCITUYDT-HXUWFJFHSA-N 2 2 317.436 4.078 20 0 DIADLP CC[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1cccc(C)c1 ZINC000903379995 1046260571 /nfs/dbraw/zinc/26/05/71/1046260571.db2.gz JLTPVCYWUYTHLH-VQTJNVASSA-N 2 2 311.473 4.124 20 0 DIADLP Fc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc12 ZINC000637988791 1046289944 /nfs/dbraw/zinc/28/99/44/1046289944.db2.gz ZVYLBJMTZBWRQX-UHFFFAOYSA-N 2 2 309.388 4.082 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000122222192 1046291486 /nfs/dbraw/zinc/29/14/86/1046291486.db2.gz DGHZFARMTJTKST-RWSFTLGLSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000122222192 1046291503 /nfs/dbraw/zinc/29/15/03/1046291503.db2.gz DGHZFARMTJTKST-RWSFTLGLSA-N 2 2 301.261 4.114 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc3occc3c2)C2CCCC2)CC1 ZINC001138825965 1046304589 /nfs/dbraw/zinc/30/45/89/1046304589.db2.gz KNJDZHZZPBXMEQ-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc3occc3c2)C2CCCC2)CC1 ZINC001138825965 1046304603 /nfs/dbraw/zinc/30/46/03/1046304603.db2.gz KNJDZHZZPBXMEQ-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccn1 ZINC000638289773 1046307638 /nfs/dbraw/zinc/30/76/38/1046307638.db2.gz ALKBDSLKTUYQCA-MDKPJZGXSA-N 2 2 321.468 4.100 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccn1 ZINC000638289773 1046307648 /nfs/dbraw/zinc/30/76/48/1046307648.db2.gz ALKBDSLKTUYQCA-MDKPJZGXSA-N 2 2 321.468 4.100 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc3ccccc3o2)C2CCCC2)CC1 ZINC001139065839 1046376527 /nfs/dbraw/zinc/37/65/27/1046376527.db2.gz SUUYLHNXOGTBNC-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc3ccccc3o2)C2CCCC2)CC1 ZINC001139065839 1046376539 /nfs/dbraw/zinc/37/65/39/1046376539.db2.gz SUUYLHNXOGTBNC-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc3cccnc3c2)C2CCCC2)CC1 ZINC001139173152 1046403317 /nfs/dbraw/zinc/40/33/17/1046403317.db2.gz GQHQHKOVTVYPIS-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc3cccnc3c2)C2CCCC2)CC1 ZINC001139173152 1046403319 /nfs/dbraw/zinc/40/33/19/1046403319.db2.gz GQHQHKOVTVYPIS-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC001168204246 1046419304 /nfs/dbraw/zinc/41/93/04/1046419304.db2.gz GRFWCZCSXLHPTR-UHFFFAOYSA-N 2 2 318.480 4.267 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC001168204522 1046420707 /nfs/dbraw/zinc/42/07/07/1046420707.db2.gz VZYIWPIHYSBCNJ-UHFFFAOYSA-N 2 2 318.480 4.267 20 0 DIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1F ZINC001139362922 1046437926 /nfs/dbraw/zinc/43/79/26/1046437926.db2.gz RRGBXGIEMCXJPO-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1F ZINC001139362922 1046437931 /nfs/dbraw/zinc/43/79/31/1046437931.db2.gz RRGBXGIEMCXJPO-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP CC[N@H+](Cc1ccc(-c2ccccc2)s1)C1CC[NH+](C)CC1 ZINC001139414166 1046445243 /nfs/dbraw/zinc/44/52/43/1046445243.db2.gz KJFFPMOBGCKQNI-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CC[NH+](C)CC1 ZINC001139414166 1046445249 /nfs/dbraw/zinc/44/52/49/1046445249.db2.gz KJFFPMOBGCKQNI-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001139415920 1046446846 /nfs/dbraw/zinc/44/68/46/1046446846.db2.gz HGINXSKIULNSNE-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC001139415920 1046446849 /nfs/dbraw/zinc/44/68/49/1046446849.db2.gz HGINXSKIULNSNE-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677240372 1046477736 /nfs/dbraw/zinc/47/77/36/1046477736.db2.gz HJQBFGFKUNMKMM-QHAWAJNXSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677240372 1046477739 /nfs/dbraw/zinc/47/77/39/1046477739.db2.gz HJQBFGFKUNMKMM-QHAWAJNXSA-N 2 2 324.443 4.132 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641744778 1046509824 /nfs/dbraw/zinc/50/98/24/1046509824.db2.gz YSCXJPBJOSUHRK-LMMKCTJWSA-N 2 2 315.505 4.165 20 0 DIADLP C[N@H+](Cc1ccc2oc3ccccc3c2c1)C1CC[NH+](C)CC1 ZINC001139751271 1046512477 /nfs/dbraw/zinc/51/24/77/1046512477.db2.gz ILWGLOWTBYFGKP-UHFFFAOYSA-N 2 2 308.425 4.112 20 0 DIADLP C[N@@H+](Cc1ccc2oc3ccccc3c2c1)C1CC[NH+](C)CC1 ZINC001139751271 1046512485 /nfs/dbraw/zinc/51/24/85/1046512485.db2.gz ILWGLOWTBYFGKP-UHFFFAOYSA-N 2 2 308.425 4.112 20 0 DIADLP CC(C)c1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000782539211 1046534678 /nfs/dbraw/zinc/53/46/78/1046534678.db2.gz HKRZNBCJYMEZCY-UHFFFAOYSA-N 2 2 305.425 4.286 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc2c3ccccc3oc21 ZINC001139858403 1046535242 /nfs/dbraw/zinc/53/52/42/1046535242.db2.gz IJXLQVZMXBIKJQ-UHFFFAOYSA-N 2 2 319.408 4.305 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc2c3ccccc3oc21 ZINC001139858403 1046535253 /nfs/dbraw/zinc/53/52/53/1046535253.db2.gz IJXLQVZMXBIKJQ-UHFFFAOYSA-N 2 2 319.408 4.305 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)c(F)c1 ZINC000536626113 1046539482 /nfs/dbraw/zinc/53/94/82/1046539482.db2.gz DKDSJCHTGLZQDP-LBPRGKRZSA-N 2 2 307.800 4.027 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377488 1046599297 /nfs/dbraw/zinc/59/92/97/1046599297.db2.gz MEPQJMXBWDCFAK-KAGYGMCKSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377488 1046599310 /nfs/dbraw/zinc/59/93/10/1046599310.db2.gz MEPQJMXBWDCFAK-KAGYGMCKSA-N 2 2 322.496 4.465 20 0 DIADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CCC(C)(C)C)cc2)CC1 ZINC000783585206 1046611994 /nfs/dbraw/zinc/61/19/94/1046611994.db2.gz QRSJBEXYUUWSNG-UHFFFAOYSA-N 2 2 317.521 4.313 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000532968522 1046634160 /nfs/dbraw/zinc/63/41/60/1046634160.db2.gz HIJRFUSJZJWLID-BEFAXECRSA-N 2 2 322.443 4.224 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000532968522 1046634165 /nfs/dbraw/zinc/63/41/65/1046634165.db2.gz HIJRFUSJZJWLID-BEFAXECRSA-N 2 2 322.443 4.224 20 0 DIADLP CCC(C)(C)[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000834603616 1046637558 /nfs/dbraw/zinc/63/75/58/1046637558.db2.gz ZKMYFVXGUUKMJI-MRXNPFEDSA-N 2 2 317.521 4.136 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1cccn2cc(C)[nH+]c12 ZINC001211988661 1046698860 /nfs/dbraw/zinc/69/88/60/1046698860.db2.gz BKUALUFVORBKNC-UHFFFAOYSA-N 2 2 308.429 4.228 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533426210 1046719008 /nfs/dbraw/zinc/71/90/08/1046719008.db2.gz PSLCWDBPNQMASH-QFBILLFUSA-N 2 2 322.443 4.366 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533426210 1046719019 /nfs/dbraw/zinc/71/90/19/1046719019.db2.gz PSLCWDBPNQMASH-QFBILLFUSA-N 2 2 322.443 4.366 20 0 DIADLP CC(C)[N@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001140438289 1046724052 /nfs/dbraw/zinc/72/40/52/1046724052.db2.gz SIHNKJUVTBUWDT-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001140438289 1046724064 /nfs/dbraw/zinc/72/40/64/1046724064.db2.gz SIHNKJUVTBUWDT-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1ccc2c(c1)[nH+]cn2C ZINC001211994211 1046749496 /nfs/dbraw/zinc/74/94/96/1046749496.db2.gz NGZOMOYMIZOJCV-UHFFFAOYSA-N 2 2 308.429 4.159 20 0 DIADLP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137376721 1046847825 /nfs/dbraw/zinc/84/78/25/1046847825.db2.gz NZBFRMKYADWTGW-SFHVURJKSA-N 2 2 317.521 4.153 20 0 DIADLP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137376721 1046847846 /nfs/dbraw/zinc/84/78/46/1046847846.db2.gz NZBFRMKYADWTGW-SFHVURJKSA-N 2 2 317.521 4.153 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1C ZINC000679720995 1046894140 /nfs/dbraw/zinc/89/41/40/1046894140.db2.gz GNIXBRXBLSUJLD-ZAWLATJESA-N 2 2 311.473 4.118 20 0 DIADLP Cc1ccccc1C1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000647224775 1046954927 /nfs/dbraw/zinc/95/49/27/1046954927.db2.gz YTNFKEMUOHYKKK-UHFFFAOYSA-N 2 2 309.438 4.021 20 0 DIADLP Cc1cc(Cl)ccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001141234584 1047058160 /nfs/dbraw/zinc/05/81/60/1047058160.db2.gz PXWUUYWBHBAWJZ-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1cc(Cl)ccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001141234584 1047058172 /nfs/dbraw/zinc/05/81/72/1047058172.db2.gz PXWUUYWBHBAWJZ-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP C[N@H+](Cc1cccc(Cl)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242405 1047062311 /nfs/dbraw/zinc/06/23/11/1047062311.db2.gz USNIRGAHEQYKFJ-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP C[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242405 1047062323 /nfs/dbraw/zinc/06/23/23/1047062323.db2.gz USNIRGAHEQYKFJ-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674664 1047066637 /nfs/dbraw/zinc/06/66/37/1047066637.db2.gz YOPFGIXJCQNNOS-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674664 1047066650 /nfs/dbraw/zinc/06/66/50/1047066650.db2.gz YOPFGIXJCQNNOS-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674664 1047066664 /nfs/dbraw/zinc/06/66/64/1047066664.db2.gz YOPFGIXJCQNNOS-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674664 1047066675 /nfs/dbraw/zinc/06/66/75/1047066675.db2.gz YOPFGIXJCQNNOS-HKUYNNGSSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674666 1047068542 /nfs/dbraw/zinc/06/85/42/1047068542.db2.gz YOPFGIXJCQNNOS-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674666 1047068555 /nfs/dbraw/zinc/06/85/55/1047068555.db2.gz YOPFGIXJCQNNOS-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674666 1047068565 /nfs/dbraw/zinc/06/85/65/1047068565.db2.gz YOPFGIXJCQNNOS-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000536674666 1047068580 /nfs/dbraw/zinc/06/85/80/1047068580.db2.gz YOPFGIXJCQNNOS-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000379621099 1047082060 /nfs/dbraw/zinc/08/20/60/1047082060.db2.gz DZTWHHBRZKLUCC-GDBMZVCRSA-N 2 2 318.848 4.076 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000379621099 1047082073 /nfs/dbraw/zinc/08/20/73/1047082073.db2.gz DZTWHHBRZKLUCC-GDBMZVCRSA-N 2 2 318.848 4.076 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccsc2)c1 ZINC001141386756 1047113692 /nfs/dbraw/zinc/11/36/92/1047113692.db2.gz VKBWXBNFMNMXOB-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccsc2)c1 ZINC001141386756 1047113699 /nfs/dbraw/zinc/11/36/99/1047113699.db2.gz VKBWXBNFMNMXOB-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP CC(C)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000681367649 1047117642 /nfs/dbraw/zinc/11/76/42/1047117642.db2.gz IYVORFJPLVJGCC-UHFFFAOYSA-N 2 2 323.415 4.425 20 0 DIADLP Fc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000536962556 1047126733 /nfs/dbraw/zinc/12/67/33/1047126733.db2.gz VAGDFSUINSCNHN-IBGZPJMESA-N 2 2 315.436 4.324 20 0 DIADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000682142853 1047177047 /nfs/dbraw/zinc/17/70/47/1047177047.db2.gz WJEWCFRXVNAMGI-QFBILLFUSA-N 2 2 305.425 4.092 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)c1 ZINC000325404462 1047187188 /nfs/dbraw/zinc/18/71/88/1047187188.db2.gz IBJUKPQKFKDQTC-SYYKKAFVSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)c1 ZINC000325404462 1047187194 /nfs/dbraw/zinc/18/71/94/1047187194.db2.gz IBJUKPQKFKDQTC-SYYKKAFVSA-N 2 2 322.496 4.465 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001116921028 1047190240 /nfs/dbraw/zinc/19/02/40/1047190240.db2.gz SUGLKCVFJKBFOJ-WMLDXEAASA-N 2 2 317.502 4.371 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682406168 1047192681 /nfs/dbraw/zinc/19/26/81/1047192681.db2.gz HAORTBZRGMWUEL-YSIASYRMSA-N 2 2 323.484 4.286 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536868073 1047261003 /nfs/dbraw/zinc/26/10/03/1047261003.db2.gz GWUFFWFDDFAFIU-LRQRDZAKSA-N 2 2 317.436 4.154 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccccc21 ZINC000387362865 1047283309 /nfs/dbraw/zinc/28/33/09/1047283309.db2.gz QJELOQDNNYVSJK-RDJZCZTQSA-N 2 2 315.486 4.125 20 0 DIADLP CSCCCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000389662257 1047291684 /nfs/dbraw/zinc/29/16/84/1047291684.db2.gz SCNLRVLDEZYNGM-MRXNPFEDSA-N 2 2 317.502 4.446 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)CCC2 ZINC000390209765 1047295113 /nfs/dbraw/zinc/29/51/13/1047295113.db2.gz DHYBUWCKDQTDDB-BEFAXECRSA-N 2 2 311.473 4.137 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000395171935 1047323841 /nfs/dbraw/zinc/32/38/41/1047323841.db2.gz MYPDGOCUJWCZHY-MRXNPFEDSA-N 2 2 305.853 4.049 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616214 1047453617 /nfs/dbraw/zinc/45/36/17/1047453617.db2.gz JRJDACUULMWQEW-BBRMVZONSA-N 2 2 320.864 4.248 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616214 1047453621 /nfs/dbraw/zinc/45/36/21/1047453621.db2.gz JRJDACUULMWQEW-BBRMVZONSA-N 2 2 320.864 4.248 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616214 1047453628 /nfs/dbraw/zinc/45/36/28/1047453628.db2.gz JRJDACUULMWQEW-BBRMVZONSA-N 2 2 320.864 4.248 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616214 1047453636 /nfs/dbraw/zinc/45/36/36/1047453636.db2.gz JRJDACUULMWQEW-BBRMVZONSA-N 2 2 320.864 4.248 20 0 DIADLP c1csc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057598316 1047463086 /nfs/dbraw/zinc/46/30/86/1047463086.db2.gz WSVQKUKFWPGFAF-KRWDZBQOSA-N 2 2 309.438 4.271 20 0 DIADLP c1csc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000057598316 1047463095 /nfs/dbraw/zinc/46/30/95/1047463095.db2.gz WSVQKUKFWPGFAF-KRWDZBQOSA-N 2 2 309.438 4.271 20 0 DIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119670394 1047467162 /nfs/dbraw/zinc/46/71/62/1047467162.db2.gz QNIGIACRSTYQFS-CYBMUJFWSA-N 2 2 322.880 4.016 20 0 DIADLP Cc1cc2cc([C@@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)oc2cc1C ZINC000119657444 1047468252 /nfs/dbraw/zinc/46/82/52/1047468252.db2.gz ZKOVKTIKDPXPOP-OAHLLOKOSA-N 2 2 312.457 4.327 20 0 DIADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)noc1C ZINC000090886634 1047511646 /nfs/dbraw/zinc/51/16/46/1047511646.db2.gz SYFGAQVOSBWIKQ-FZKQIMNGSA-N 2 2 324.428 4.279 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318618 1047544875 /nfs/dbraw/zinc/54/48/75/1047544875.db2.gz ROTJIRDBPUOUIS-QFBILLFUSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000093318618 1047544880 /nfs/dbraw/zinc/54/48/80/1047544880.db2.gz ROTJIRDBPUOUIS-QFBILLFUSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318618 1047544885 /nfs/dbraw/zinc/54/48/85/1047544885.db2.gz ROTJIRDBPUOUIS-QFBILLFUSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318618 1047544888 /nfs/dbraw/zinc/54/48/88/1047544888.db2.gz ROTJIRDBPUOUIS-QFBILLFUSA-N 2 2 314.498 4.233 20 0 DIADLP Cc1cc2ccccc2c(N2C[C@@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001157742944 1047752433 /nfs/dbraw/zinc/75/24/33/1047752433.db2.gz FSRQBWSKOJYVDA-MRXNPFEDSA-N 2 2 303.409 4.127 20 0 DIADLP CCCCc1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1 ZINC001159321300 1047834277 /nfs/dbraw/zinc/83/42/77/1047834277.db2.gz HRKDSLNVKJJFLG-UHFFFAOYSA-N 2 2 324.472 4.095 20 0 DIADLP c1cn(-c2ccccc2Nc2ccc([C@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001159447493 1047846412 /nfs/dbraw/zinc/84/64/12/1047846412.db2.gz MSMSTKBIRNRBSD-QGZVFWFLSA-N 2 2 304.397 4.040 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001182855261 1047851527 /nfs/dbraw/zinc/85/15/27/1047851527.db2.gz OXHWHPUYUQEGSK-BZSNNMDCSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001182855261 1047851534 /nfs/dbraw/zinc/85/15/34/1047851534.db2.gz OXHWHPUYUQEGSK-BZSNNMDCSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001182855436 1047852501 /nfs/dbraw/zinc/85/25/01/1047852501.db2.gz OXHWHPUYUQEGSK-RCCFBDPRSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001182855436 1047852508 /nfs/dbraw/zinc/85/25/08/1047852508.db2.gz OXHWHPUYUQEGSK-RCCFBDPRSA-N 2 2 320.908 4.439 20 0 DIADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(C3CCCCC3)cc2)C1 ZINC001182865288 1047852955 /nfs/dbraw/zinc/85/29/55/1047852955.db2.gz WTMHGXCLLRUSAD-NRFANRHFSA-N 2 2 314.517 4.351 20 0 DIADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2ccc(C3CCCCC3)cc2)C1 ZINC001182865288 1047852965 /nfs/dbraw/zinc/85/29/65/1047852965.db2.gz WTMHGXCLLRUSAD-NRFANRHFSA-N 2 2 314.517 4.351 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC001159630117 1047887375 /nfs/dbraw/zinc/88/73/75/1047887375.db2.gz PWARICGCVHPDEI-UHFFFAOYSA-N 2 2 323.440 4.142 20 0 DIADLP CC(C)c1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000479414208 1047887575 /nfs/dbraw/zinc/88/75/75/1047887575.db2.gz XEIKCBFCKHNFRP-UHFFFAOYSA-N 2 2 311.454 4.347 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001183146437 1047894552 /nfs/dbraw/zinc/89/45/52/1047894552.db2.gz VYOBWDOWXAYUIY-HLIPFELVSA-N 2 2 300.490 4.208 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001183146437 1047894566 /nfs/dbraw/zinc/89/45/66/1047894566.db2.gz VYOBWDOWXAYUIY-HLIPFELVSA-N 2 2 300.490 4.208 20 0 DIADLP CN(c1ccc(Nc2cccc(CC[NH3+])c2)c[nH+]1)C1CCCCC1 ZINC001159672013 1047899151 /nfs/dbraw/zinc/89/91/51/1047899151.db2.gz MRZCHKJNQIMMOI-UHFFFAOYSA-N 2 2 324.472 4.095 20 0 DIADLP c1cc([NH+]2CCCCC2)ccc1Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001159679781 1047900256 /nfs/dbraw/zinc/90/02/56/1047900256.db2.gz ZFXREWFTTSNHQP-UHFFFAOYSA-N 2 2 321.468 4.109 20 0 DIADLP Cc1ccc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCC2)o1 ZINC000479511554 1047917735 /nfs/dbraw/zinc/91/77/35/1047917735.db2.gz PLBKYBMRCYNHLU-TVPLGVNVSA-N 2 2 302.462 4.036 20 0 DIADLP C[C@H]([NH2+]CCCc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479542643 1047924034 /nfs/dbraw/zinc/92/40/34/1047924034.db2.gz JODGGBLHXYWAQC-INIZCTEOSA-N 2 2 323.415 4.295 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183498548 1047937244 /nfs/dbraw/zinc/93/72/44/1047937244.db2.gz GLVAXTZNWAZQRQ-SXLOBPIMSA-N 2 2 309.457 4.206 20 0 DIADLP CC[NH2+]Cc1cccc(Nc2ccc3c(c2)[nH+]cn3C(C)C)c1 ZINC001159955614 1047957625 /nfs/dbraw/zinc/95/76/25/1047957625.db2.gz JPENGIPLPRXYCC-UHFFFAOYSA-N 2 2 308.429 4.470 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842938 1047968390 /nfs/dbraw/zinc/96/83/90/1047968390.db2.gz QAOGGRVSQJKFHD-WFASDCNBSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842938 1047968396 /nfs/dbraw/zinc/96/83/96/1047968396.db2.gz QAOGGRVSQJKFHD-WFASDCNBSA-N 2 2 306.500 4.036 20 0 DIADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(C)[nH+]c(C(C)C)n3)c2c1 ZINC001160013975 1047968669 /nfs/dbraw/zinc/96/86/69/1047968669.db2.gz ZDHBHIVGAUUACP-AWEZNQCLSA-N 2 2 322.456 4.050 20 0 DIADLP CCCc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC001183864304 1047977704 /nfs/dbraw/zinc/97/77/04/1047977704.db2.gz LOMZZSAQZBGIOU-UHFFFAOYSA-N 2 2 315.486 4.172 20 0 DIADLP CCC[N@H+](C[C@@H]1C[C@H]1CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641193 1047987929 /nfs/dbraw/zinc/98/79/29/1047987929.db2.gz OLEDJQJQIFBZQX-UXHICEINSA-N 2 2 314.517 4.409 20 0 DIADLP CCC[N@@H+](C[C@@H]1C[C@H]1CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641193 1047987939 /nfs/dbraw/zinc/98/79/39/1047987939.db2.gz OLEDJQJQIFBZQX-UXHICEINSA-N 2 2 314.517 4.409 20 0 DIADLP Clc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203921143 1048015849 /nfs/dbraw/zinc/01/58/49/1048015849.db2.gz AHXAFCLDOVBPQH-GOSISDBHSA-N 2 2 306.881 4.180 20 0 DIADLP Clc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203921143 1048015866 /nfs/dbraw/zinc/01/58/66/1048015866.db2.gz AHXAFCLDOVBPQH-GOSISDBHSA-N 2 2 306.881 4.180 20 0 DIADLP Cc1cc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)ccc1[NH+](C)C ZINC001160266933 1048018182 /nfs/dbraw/zinc/01/81/82/1048018182.db2.gz VZTUUYGQFMQDOP-GOSISDBHSA-N 2 2 323.484 4.347 20 0 DIADLP CC(C)c1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001199179206 1048040973 /nfs/dbraw/zinc/04/09/73/1048040973.db2.gz RMJSOTPLQOQOAG-UHFFFAOYSA-N 2 2 319.452 4.345 20 0 DIADLP Cc1cccc2c1cc[nH+]c2N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001160661778 1048076434 /nfs/dbraw/zinc/07/64/34/1048076434.db2.gz KQUUFBLBFALLGI-MRXNPFEDSA-N 2 2 319.452 4.145 20 0 DIADLP c1cn(CCCC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC001199648790 1048083492 /nfs/dbraw/zinc/08/34/92/1048083492.db2.gz NVNDNMVXSWUKPB-UXHICEINSA-N 2 2 311.473 4.369 20 0 DIADLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C2CCC2)n1)CC(C)C ZINC001184740576 1048087996 /nfs/dbraw/zinc/08/79/96/1048087996.db2.gz RBHHPYKFLRDYQP-QGZVFWFLSA-N 2 2 318.509 4.221 20 0 DIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480275590 1048108969 /nfs/dbraw/zinc/10/89/69/1048108969.db2.gz RWVFEIKQGIZJJV-TZMCWYRMSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000480275590 1048108979 /nfs/dbraw/zinc/10/89/79/1048108979.db2.gz RWVFEIKQGIZJJV-TZMCWYRMSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001199896121 1048110522 /nfs/dbraw/zinc/11/05/22/1048110522.db2.gz JTNJYTCLXVVBAY-GOSISDBHSA-N 2 2 319.452 4.231 20 0 DIADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)cc1C ZINC001161180246 1048112542 /nfs/dbraw/zinc/11/25/42/1048112542.db2.gz GXXABYOCWDZBFC-KRWDZBQOSA-N 2 2 315.848 4.038 20 0 DIADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)cc1C ZINC001161180246 1048112551 /nfs/dbraw/zinc/11/25/51/1048112551.db2.gz GXXABYOCWDZBFC-KRWDZBQOSA-N 2 2 315.848 4.038 20 0 DIADLP CCSc1cc[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)c1 ZINC001161234932 1048116158 /nfs/dbraw/zinc/11/61/58/1048116158.db2.gz YLYBKNKAPITOPI-UHFFFAOYSA-N 2 2 319.518 4.118 20 0 DIADLP Cc1ccc2c(C)cc(NCc3[nH+]cn4ccccc34)[nH+]c2c1C ZINC001161685451 1048155193 /nfs/dbraw/zinc/15/51/93/1048155193.db2.gz HSLIWJIKTICLRJ-UHFFFAOYSA-N 2 2 316.408 4.420 20 0 DIADLP C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480676706 1048213949 /nfs/dbraw/zinc/21/39/49/1048213949.db2.gz ONFAPWCCQBGJIH-KRWDZBQOSA-N 2 2 317.436 4.298 20 0 DIADLP COc1cc[nH+]c(C(C)(C)CNc2[nH+]c(C)cc3ccccc32)c1 ZINC001162129698 1048229068 /nfs/dbraw/zinc/22/90/68/1048229068.db2.gz NOSFQLPEBDWQOX-UHFFFAOYSA-N 2 2 321.424 4.337 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000480747775 1048235779 /nfs/dbraw/zinc/23/57/79/1048235779.db2.gz UYUFMQADNSCQFH-SJORKVTESA-N 2 2 305.425 4.289 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000480756356 1048238485 /nfs/dbraw/zinc/23/84/85/1048238485.db2.gz JZJAUMMPBUGWMP-CZUORRHYSA-N 2 2 311.454 4.154 20 0 DIADLP C[NH+](C)Cc1cccc(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001201396872 1048248004 /nfs/dbraw/zinc/24/80/04/1048248004.db2.gz FASWGJZMBZXKEU-UHFFFAOYSA-N 2 2 309.457 4.482 20 0 DIADLP c1cn2ccc(Nc3ccc(C[NH+]4CCCCC4)cc3)cc2[nH+]1 ZINC001175365879 1048279488 /nfs/dbraw/zinc/27/94/88/1048279488.db2.gz FQZMZKHQUWQLRA-UHFFFAOYSA-N 2 2 306.413 4.064 20 0 DIADLP CC[N@H+](C)c1ccc(NC2=CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001175507578 1048345101 /nfs/dbraw/zinc/34/51/01/1048345101.db2.gz RTWIGXIZPJZCOH-UHFFFAOYSA-N 2 2 321.468 4.344 20 0 DIADLP CC[N@@H+](C)c1ccc(NC2=CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001175507578 1048345118 /nfs/dbraw/zinc/34/51/18/1048345118.db2.gz RTWIGXIZPJZCOH-UHFFFAOYSA-N 2 2 321.468 4.344 20 0 DIADLP CC[NH+](C)c1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001175507578 1048345134 /nfs/dbraw/zinc/34/51/34/1048345134.db2.gz RTWIGXIZPJZCOH-UHFFFAOYSA-N 2 2 321.468 4.344 20 0 DIADLP CC[NH+](C)c1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001175507578 1048345150 /nfs/dbraw/zinc/34/51/50/1048345150.db2.gz RTWIGXIZPJZCOH-UHFFFAOYSA-N 2 2 321.468 4.344 20 0 DIADLP Cc1ccc2c(c1)[C@H](Nc1c[nH+]c(C)c(C)c1)CC21CC[NH2+]CC1 ZINC001163034366 1048405449 /nfs/dbraw/zinc/40/54/49/1048405449.db2.gz PQNTWBHMIVNLSM-HXUWFJFHSA-N 2 2 321.468 4.185 20 0 DIADLP CC[NH+]1CCN(c2ccc(Nc3[nH+]cccc3C(C)C)cc2)CC1 ZINC001175781646 1048450907 /nfs/dbraw/zinc/45/09/07/1048450907.db2.gz JDQLKSZNOYYCNV-UHFFFAOYSA-N 2 2 324.472 4.091 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1C ZINC001202150470 1048462309 /nfs/dbraw/zinc/46/23/09/1048462309.db2.gz JJUKHPPYBFLYQY-QRVBRYPASA-N 2 2 306.538 4.447 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001202150717 1048475075 /nfs/dbraw/zinc/47/50/75/1048475075.db2.gz KVXFQMFWXSHXRI-QZTJIDSGSA-N 2 2 306.538 4.447 20 0 DIADLP C[NH+](C)Cc1cccc(CNc2cc3cc(F)ccc3c[nH+]2)c1 ZINC001163992693 1048565290 /nfs/dbraw/zinc/56/52/90/1048565290.db2.gz IUEGCRGJZYEXEB-UHFFFAOYSA-N 2 2 309.388 4.048 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)c(Cl)c1 ZINC000482245450 1048573401 /nfs/dbraw/zinc/57/34/01/1048573401.db2.gz ZRKORROMULHZMW-ZDUSSCGKSA-N 2 2 321.827 4.417 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164491453 1048633839 /nfs/dbraw/zinc/63/38/39/1048633839.db2.gz DRYMWNSHEBUFJV-VAMGGRTRSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001164491453 1048633841 /nfs/dbraw/zinc/63/38/41/1048633841.db2.gz DRYMWNSHEBUFJV-VAMGGRTRSA-N 2 2 321.468 4.021 20 0 DIADLP CC(C)(C)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001204396444 1048672473 /nfs/dbraw/zinc/67/24/73/1048672473.db2.gz BWYLLHIRHIQVQE-UHFFFAOYSA-N 2 2 324.468 4.423 20 0 DIADLP CC(C)[N@H+](Cc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204398587 1048725648 /nfs/dbraw/zinc/72/56/48/1048725648.db2.gz IOIJISFPBYNMMY-UHFFFAOYSA-N 2 2 302.506 4.289 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204398587 1048725659 /nfs/dbraw/zinc/72/56/59/1048725659.db2.gz IOIJISFPBYNMMY-UHFFFAOYSA-N 2 2 302.506 4.289 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000483143226 1048748279 /nfs/dbraw/zinc/74/82/79/1048748279.db2.gz OHFWHYKUUBXURS-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001176750796 1048778694 /nfs/dbraw/zinc/77/86/94/1048778694.db2.gz NABKSXPDUFQGAB-UHFFFAOYSA-N 2 2 322.456 4.021 20 0 DIADLP CCC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CCCCC1 ZINC000483446000 1048796685 /nfs/dbraw/zinc/79/66/85/1048796685.db2.gz HGVBXTGYCZFIOZ-MSOLQXFVSA-N 2 2 303.494 4.408 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C)CCC2 ZINC000483439152 1048801097 /nfs/dbraw/zinc/80/10/97/1048801097.db2.gz DIMWZPQZBOTNPR-LEUOFYLZSA-N 2 2 303.494 4.119 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000483531109 1048814536 /nfs/dbraw/zinc/81/45/36/1048814536.db2.gz LJPXQCFAFINQLM-OAHLLOKOSA-N 2 2 311.454 4.435 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000483531109 1048814553 /nfs/dbraw/zinc/81/45/53/1048814553.db2.gz LJPXQCFAFINQLM-OAHLLOKOSA-N 2 2 311.454 4.435 20 0 DIADLP CC1(C)CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001177217278 1048848594 /nfs/dbraw/zinc/84/85/94/1048848594.db2.gz IUXRZHDYPSMCTR-IBGZPJMESA-N 2 2 311.473 4.380 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251899902 1048856229 /nfs/dbraw/zinc/85/62/29/1048856229.db2.gz WSTISFRHRYCVIF-FIXISWKDSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251899902 1048856252 /nfs/dbraw/zinc/85/62/52/1048856252.db2.gz WSTISFRHRYCVIF-FIXISWKDSA-N 2 2 301.261 4.114 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000483753125 1048856503 /nfs/dbraw/zinc/85/65/03/1048856503.db2.gz NCFHAHKTISBUFU-RLFYNMQTSA-N 2 2 318.486 4.383 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000483753125 1048856516 /nfs/dbraw/zinc/85/65/16/1048856516.db2.gz NCFHAHKTISBUFU-RLFYNMQTSA-N 2 2 318.486 4.383 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000484064265 1048900394 /nfs/dbraw/zinc/90/03/94/1048900394.db2.gz AJBMIKQABZVGMX-IBGZPJMESA-N 2 2 323.465 4.483 20 0 DIADLP Nc1cccc2c1cc[nH+]c2NC1CCC([NH+]2CCCCC2)CC1 ZINC000853424587 1048903265 /nfs/dbraw/zinc/90/32/65/1048903265.db2.gz RMAUBYJDNIBOLK-UHFFFAOYSA-N 2 2 324.472 4.026 20 0 DIADLP Cc1cc(C)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(C)c1 ZINC001177529193 1048908353 /nfs/dbraw/zinc/90/83/53/1048908353.db2.gz NCOWDBKJWXNQJQ-UHFFFAOYSA-N 2 2 311.454 4.149 20 0 DIADLP CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001191276906 1048913903 /nfs/dbraw/zinc/91/39/03/1048913903.db2.gz GNPLTVQIIBHTMG-FQEVSTJZSA-N 2 2 319.452 4.325 20 0 DIADLP CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001191276906 1048913911 /nfs/dbraw/zinc/91/39/11/1048913911.db2.gz GNPLTVQIIBHTMG-FQEVSTJZSA-N 2 2 319.452 4.325 20 0 DIADLP CCC[C@H](C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC001203511465 1048915709 /nfs/dbraw/zinc/91/57/09/1048915709.db2.gz YGUGLYIYPSINFW-KRWDZBQOSA-N 2 2 317.521 4.137 20 0 DIADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000484288181 1048919674 /nfs/dbraw/zinc/91/96/74/1048919674.db2.gz DDIWQUDRCYCBRF-HNNXBMFYSA-N 2 2 309.413 4.289 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000484302593 1048922846 /nfs/dbraw/zinc/92/28/46/1048922846.db2.gz PSATXVOTLRLGGG-ZDUSSCGKSA-N 2 2 323.362 4.253 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000194864092 1048938132 /nfs/dbraw/zinc/93/81/32/1048938132.db2.gz OPWZISBCCGMYRJ-OAHLLOKOSA-N 2 2 323.465 4.445 20 0 DIADLP CC[NH+](CC)CCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001191444511 1048947328 /nfs/dbraw/zinc/94/73/28/1048947328.db2.gz NGMKFYREDWZDPN-UHFFFAOYSA-N 2 2 324.459 4.441 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001191444511 1048947338 /nfs/dbraw/zinc/94/73/38/1048947338.db2.gz NGMKFYREDWZDPN-UHFFFAOYSA-N 2 2 324.459 4.441 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCNc1cccc[nH+]1 ZINC001177937985 1048965881 /nfs/dbraw/zinc/96/58/81/1048965881.db2.gz PEHHAURAWZRBTR-SQFISAMPSA-N 2 2 315.848 4.230 20 0 DIADLP Cc1cn2cc(Nc3ccc([NH+]4CCCCC4)cc3)ccc2[nH+]1 ZINC001203717472 1048975909 /nfs/dbraw/zinc/97/59/09/1048975909.db2.gz CRVOKOQHFQZYAF-UHFFFAOYSA-N 2 2 306.413 4.377 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484618723 1048990138 /nfs/dbraw/zinc/99/01/38/1048990138.db2.gz QQGOSSSCYNKWTR-HKUYNNGSSA-N 2 2 318.505 4.136 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000484618723 1048990146 /nfs/dbraw/zinc/99/01/46/1048990146.db2.gz QQGOSSSCYNKWTR-HKUYNNGSSA-N 2 2 318.505 4.136 20 0 DIADLP Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)s1 ZINC001204033300 1049065774 /nfs/dbraw/zinc/06/57/74/1049065774.db2.gz POIRTPJPSZLOHM-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001204033300 1049065789 /nfs/dbraw/zinc/06/57/89/1049065789.db2.gz POIRTPJPSZLOHM-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP CC[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748979 1049080847 /nfs/dbraw/zinc/08/08/47/1049080847.db2.gz YIRSQSFXHJKWGM-AABGKKOBSA-N 2 2 314.517 4.455 20 0 DIADLP CC[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748979 1049080858 /nfs/dbraw/zinc/08/08/58/1049080858.db2.gz YIRSQSFXHJKWGM-AABGKKOBSA-N 2 2 314.517 4.455 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001204169444 1049102338 /nfs/dbraw/zinc/10/23/38/1049102338.db2.gz PHIYALJNHGTZBO-LJQANCHMSA-N 2 2 310.441 4.167 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001204169444 1049102342 /nfs/dbraw/zinc/10/23/42/1049102342.db2.gz PHIYALJNHGTZBO-LJQANCHMSA-N 2 2 310.441 4.167 20 0 DIADLP C[C@@H]1CC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](C)C1 ZINC001179111425 1049133321 /nfs/dbraw/zinc/13/33/21/1049133321.db2.gz ZSPOBFJUXFOYOB-KBPBESRZSA-N 2 2 303.475 4.096 20 0 DIADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC001179238709 1049145673 /nfs/dbraw/zinc/14/56/73/1049145673.db2.gz XCPAITGUUPUDTQ-LJQANCHMSA-N 2 2 323.484 4.028 20 0 DIADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC001179238709 1049145682 /nfs/dbraw/zinc/14/56/82/1049145682.db2.gz XCPAITGUUPUDTQ-LJQANCHMSA-N 2 2 323.484 4.028 20 0 DIADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1C ZINC001204357392 1049148472 /nfs/dbraw/zinc/14/84/72/1049148472.db2.gz SWMSYFGACPBZPI-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1C ZINC001204357392 1049148476 /nfs/dbraw/zinc/14/84/76/1049148476.db2.gz SWMSYFGACPBZPI-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC23CC3)C[N@@H+]1Cc1ccccc1 ZINC001179304856 1049153385 /nfs/dbraw/zinc/15/33/85/1049153385.db2.gz VSKYLZJMSKJNBY-MOPGFXCFSA-N 2 2 312.501 4.209 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC23CC3)C[N@H+]1Cc1ccccc1 ZINC001179304856 1049153389 /nfs/dbraw/zinc/15/33/89/1049153389.db2.gz VSKYLZJMSKJNBY-MOPGFXCFSA-N 2 2 312.501 4.209 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204946666 1049320087 /nfs/dbraw/zinc/32/00/87/1049320087.db2.gz QUCNVHCIHXEMKX-NRFANRHFSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204946666 1049320096 /nfs/dbraw/zinc/32/00/96/1049320096.db2.gz QUCNVHCIHXEMKX-NRFANRHFSA-N 2 2 323.484 4.076 20 0 DIADLP Clc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203800236 1049411259 /nfs/dbraw/zinc/41/12/59/1049411259.db2.gz NGEUEJKRAUQAJX-SFHVURJKSA-N 2 2 306.881 4.180 20 0 DIADLP Clc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203800236 1049411263 /nfs/dbraw/zinc/41/12/63/1049411263.db2.gz NGEUEJKRAUQAJX-SFHVURJKSA-N 2 2 306.881 4.180 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)cc1Cl ZINC001205288602 1049428543 /nfs/dbraw/zinc/42/85/43/1049428543.db2.gz LXOMYTLUVOAQPR-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)cc1Cl ZINC001205288602 1049428548 /nfs/dbraw/zinc/42/85/48/1049428548.db2.gz LXOMYTLUVOAQPR-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)cc1Cl ZINC001205288601 1049429247 /nfs/dbraw/zinc/42/92/47/1049429247.db2.gz LXOMYTLUVOAQPR-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)cc1Cl ZINC001205288601 1049429255 /nfs/dbraw/zinc/42/92/55/1049429255.db2.gz LXOMYTLUVOAQPR-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001205331865 1049441410 /nfs/dbraw/zinc/44/14/10/1049441410.db2.gz KWLAKAZKWGGNMD-CQSZACIVSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001205331865 1049441414 /nfs/dbraw/zinc/44/14/14/1049441414.db2.gz KWLAKAZKWGGNMD-CQSZACIVSA-N 2 2 310.466 4.238 20 0 DIADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001181242656 1049453317 /nfs/dbraw/zinc/45/33/17/1049453317.db2.gz AWDJOBLHOOJMJI-RBUKOAKNSA-N 2 2 300.490 4.034 20 0 DIADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001181242656 1049453324 /nfs/dbraw/zinc/45/33/24/1049453324.db2.gz AWDJOBLHOOJMJI-RBUKOAKNSA-N 2 2 300.490 4.034 20 0 DIADLP CC(C)C1CCC(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001205379706 1049454048 /nfs/dbraw/zinc/45/40/48/1049454048.db2.gz JFHNZWOZXRKGQE-XBMUEBEBSA-N 2 2 317.521 4.137 20 0 DIADLP CC(C)C1CCC(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001205379706 1049454049 /nfs/dbraw/zinc/45/40/49/1049454049.db2.gz JFHNZWOZXRKGQE-XBMUEBEBSA-N 2 2 317.521 4.137 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001205517371 1049490554 /nfs/dbraw/zinc/49/05/54/1049490554.db2.gz NXZUNKABIMRTAU-OALUTQOASA-N 2 2 304.522 4.201 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001205650523 1049524472 /nfs/dbraw/zinc/52/44/72/1049524472.db2.gz NTNQVMLXXQNMJA-AQNXPRMDSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001205650523 1049524487 /nfs/dbraw/zinc/52/44/87/1049524487.db2.gz NTNQVMLXXQNMJA-AQNXPRMDSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001205650372 1049524597 /nfs/dbraw/zinc/52/45/97/1049524597.db2.gz KRQFEBPJVBLLSH-SVFBPWRDSA-N 2 2 314.517 4.207 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001205650372 1049524606 /nfs/dbraw/zinc/52/46/06/1049524606.db2.gz KRQFEBPJVBLLSH-SVFBPWRDSA-N 2 2 314.517 4.207 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3cccc4c3CCC4)CC2)c[nH+]1 ZINC001205693367 1049534544 /nfs/dbraw/zinc/53/45/44/1049534544.db2.gz VFPZMVHXWGHQLA-UHFFFAOYSA-N 2 2 323.484 4.064 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCC2(CCCCC2)CC1 ZINC001205697443 1049537201 /nfs/dbraw/zinc/53/72/01/1049537201.db2.gz YXDLTMPQAJBVJD-UHFFFAOYSA-N 2 2 303.494 4.346 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC2(CCCCC2)CC1 ZINC001205697443 1049537207 /nfs/dbraw/zinc/53/72/07/1049537207.db2.gz YXDLTMPQAJBVJD-UHFFFAOYSA-N 2 2 303.494 4.346 20 0 DIADLP CC[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC1(C)C ZINC001182031320 1049561713 /nfs/dbraw/zinc/56/17/13/1049561713.db2.gz IDEAQKYNXKZFLZ-GDBMZVCRSA-N 2 2 317.864 4.440 20 0 DIADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805669 1049568141 /nfs/dbraw/zinc/56/81/41/1049568141.db2.gz RGTDCRRELSWZLH-UONOGXRCSA-N 2 2 318.848 4.159 20 0 DIADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805669 1049568151 /nfs/dbraw/zinc/56/81/51/1049568151.db2.gz RGTDCRRELSWZLH-UONOGXRCSA-N 2 2 318.848 4.159 20 0 DIADLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1Cl ZINC001205813316 1049570909 /nfs/dbraw/zinc/57/09/09/1049570909.db2.gz SJPPJZLWMWLDKB-KRWDZBQOSA-N 2 2 314.860 4.102 20 0 DIADLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1Cl ZINC001205813316 1049570924 /nfs/dbraw/zinc/57/09/24/1049570924.db2.gz SJPPJZLWMWLDKB-KRWDZBQOSA-N 2 2 314.860 4.102 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)c2ccccc21 ZINC000629550167 1049575292 /nfs/dbraw/zinc/57/52/92/1049575292.db2.gz JSDXDPBJGUMLFG-QWHCGFSZSA-N 2 2 312.360 4.001 20 0 DIADLP c1cn(Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)c2)c[nH+]1 ZINC000863690153 1049589497 /nfs/dbraw/zinc/58/94/97/1049589497.db2.gz LSEUOWQNDQCNSE-HXUWFJFHSA-N 2 2 303.409 4.023 20 0 DIADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001205937958 1049606339 /nfs/dbraw/zinc/60/63/39/1049606339.db2.gz DAAWSAVEOZEEKA-HNNXBMFYSA-N 2 2 310.466 4.368 20 0 DIADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001205937958 1049606345 /nfs/dbraw/zinc/60/63/45/1049606345.db2.gz DAAWSAVEOZEEKA-HNNXBMFYSA-N 2 2 310.466 4.368 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000339066068 1049644461 /nfs/dbraw/zinc/64/44/61/1049644461.db2.gz ARZNMIBTWMEHFS-NRFANRHFSA-N 2 2 317.436 4.348 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)C1CCC(F)CC1 ZINC001196488774 1049661103 /nfs/dbraw/zinc/66/11/03/1049661103.db2.gz DXXBNYOVOGTTIL-KLHKWILBSA-N 2 2 315.436 4.187 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3ccc(C)cc31)CCC2 ZINC000339069164 1049662266 /nfs/dbraw/zinc/66/22/66/1049662266.db2.gz WQTODLUEPHOISV-HKUYNNGSSA-N 2 2 309.457 4.045 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3ccc(C)cc31)CCC2 ZINC000339069177 1049662294 /nfs/dbraw/zinc/66/22/94/1049662294.db2.gz WQTODLUEPHOISV-PKOBYXMFSA-N 2 2 309.457 4.045 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001182634895 1049691583 /nfs/dbraw/zinc/69/15/83/1049691583.db2.gz SLURWXQDAJSUQF-TUFLPTIASA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001182634895 1049691590 /nfs/dbraw/zinc/69/15/90/1049691590.db2.gz SLURWXQDAJSUQF-TUFLPTIASA-N 2 2 312.501 4.103 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182634785 1049692254 /nfs/dbraw/zinc/69/22/54/1049692254.db2.gz PCHIDJBCGLNGRN-ZWKOTPCHSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182634785 1049692262 /nfs/dbraw/zinc/69/22/62/1049692262.db2.gz PCHIDJBCGLNGRN-ZWKOTPCHSA-N 2 2 324.871 4.018 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001182634894 1049692490 /nfs/dbraw/zinc/69/24/90/1049692490.db2.gz SLURWXQDAJSUQF-BURNTYAHSA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001182634894 1049692497 /nfs/dbraw/zinc/69/24/97/1049692497.db2.gz SLURWXQDAJSUQF-BURNTYAHSA-N 2 2 312.501 4.103 20 0 DIADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001206276243 1049696324 /nfs/dbraw/zinc/69/63/24/1049696324.db2.gz CTYICGLRYAPWQE-HNNXBMFYSA-N 2 2 314.860 4.048 20 0 DIADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001206276243 1049696330 /nfs/dbraw/zinc/69/63/30/1049696330.db2.gz CTYICGLRYAPWQE-HNNXBMFYSA-N 2 2 314.860 4.048 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001206643936 1049775053 /nfs/dbraw/zinc/77/50/53/1049775053.db2.gz ARFHNSKYYIDBPQ-FQEVSTJZSA-N 2 2 322.496 4.281 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001206643936 1049775059 /nfs/dbraw/zinc/77/50/59/1049775059.db2.gz ARFHNSKYYIDBPQ-FQEVSTJZSA-N 2 2 322.496 4.281 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H](C)C2 ZINC000490167446 1049808557 /nfs/dbraw/zinc/80/85/57/1049808557.db2.gz JMWAXYXQMFELGZ-IERDGZPVSA-N 2 2 317.436 4.204 20 0 DIADLP CCC1([NH+](C)C)CC[NH+](C/C=C/c2cc(C)c(C)cc2C)CC1 ZINC001207035338 1049822655 /nfs/dbraw/zinc/82/26/55/1049822655.db2.gz OASYUVPVQDCKEV-CMDGGOBGSA-N 2 2 314.517 4.431 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207183581 1049852983 /nfs/dbraw/zinc/85/29/83/1049852983.db2.gz CDWVKYMPRSBBCD-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001207183581 1049853020 /nfs/dbraw/zinc/85/30/20/1049853020.db2.gz CDWVKYMPRSBBCD-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001207286495 1049873723 /nfs/dbraw/zinc/87/37/23/1049873723.db2.gz UWOAOLHORBGZJD-GFCCVEGCSA-N 2 2 300.899 4.126 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001207286495 1049873728 /nfs/dbraw/zinc/87/37/28/1049873728.db2.gz UWOAOLHORBGZJD-GFCCVEGCSA-N 2 2 300.899 4.126 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H](C)C2 ZINC000491057154 1049883260 /nfs/dbraw/zinc/88/32/60/1049883260.db2.gz WAICJNMDVVUDOW-UZLBHIALSA-N 2 2 309.457 4.105 20 0 DIADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001207741263 1049932926 /nfs/dbraw/zinc/93/29/26/1049932926.db2.gz FGDWODDNPYNGQV-AEFFLSMTSA-N 2 2 322.562 4.296 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC001207763176 1049937147 /nfs/dbraw/zinc/93/71/47/1049937147.db2.gz MXCDKFJQDGXFMM-MOPGFXCFSA-N 2 2 306.538 4.447 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC001207763176 1049937149 /nfs/dbraw/zinc/93/71/49/1049937149.db2.gz MXCDKFJQDGXFMM-MOPGFXCFSA-N 2 2 306.538 4.447 20 0 DIADLP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001207940118 1049961331 /nfs/dbraw/zinc/96/13/31/1049961331.db2.gz IOOYEMBYEPUIRF-LJQANCHMSA-N 2 2 313.489 4.480 20 0 DIADLP CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001207940118 1049961340 /nfs/dbraw/zinc/96/13/40/1049961340.db2.gz IOOYEMBYEPUIRF-LJQANCHMSA-N 2 2 313.489 4.480 20 0 DIADLP Cc1ccc([C@@H](C)CC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001208171022 1049980827 /nfs/dbraw/zinc/98/08/27/1049980827.db2.gz YFHWSNBDTRLTIX-INIZCTEOSA-N 2 2 323.440 4.399 20 0 DIADLP Cc1ccc([C@@H](C)CC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001208171022 1049980832 /nfs/dbraw/zinc/98/08/32/1049980832.db2.gz YFHWSNBDTRLTIX-INIZCTEOSA-N 2 2 323.440 4.399 20 0 DIADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CCCC1 ZINC001208187422 1049982772 /nfs/dbraw/zinc/98/27/72/1049982772.db2.gz KOOZFVDCEQXTHN-GOSISDBHSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CCCC1 ZINC001208187422 1049982776 /nfs/dbraw/zinc/98/27/76/1049982776.db2.gz KOOZFVDCEQXTHN-GOSISDBHSA-N 2 2 322.443 4.224 20 0 DIADLP CC/C=C\CC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001208728052 1050007167 /nfs/dbraw/zinc/00/71/67/1050007167.db2.gz NVIGUBAWOAJAME-ARJAWSKDSA-N 2 2 321.424 4.350 20 0 DIADLP C[C@@H](c1ccccc1Cl)[N@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168389195 1050027175 /nfs/dbraw/zinc/02/71/75/1050027175.db2.gz LKKQHUASCOYBPR-AWEZNQCLSA-N 2 2 306.881 4.207 20 0 DIADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168389195 1050027180 /nfs/dbraw/zinc/02/71/80/1050027180.db2.gz LKKQHUASCOYBPR-AWEZNQCLSA-N 2 2 306.881 4.207 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)s1 ZINC001168390996 1050038042 /nfs/dbraw/zinc/03/80/42/1050038042.db2.gz KBVVHRVSZIEWNV-HNNXBMFYSA-N 2 2 324.921 4.413 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)s1 ZINC001168390996 1050038045 /nfs/dbraw/zinc/03/80/45/1050038045.db2.gz KBVVHRVSZIEWNV-HNNXBMFYSA-N 2 2 324.921 4.413 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)s1 ZINC001209450395 1050061365 /nfs/dbraw/zinc/06/13/65/1050061365.db2.gz IKBITQVRFDRWGE-AWEZNQCLSA-N 2 2 312.910 4.414 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)s1 ZINC001209450395 1050061368 /nfs/dbraw/zinc/06/13/68/1050061368.db2.gz IKBITQVRFDRWGE-AWEZNQCLSA-N 2 2 312.910 4.414 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc3cc[nH]c3c2)C2CCCC2)CC1 ZINC001209519626 1050066094 /nfs/dbraw/zinc/06/60/94/1050066094.db2.gz YWFMTQACJQOWSG-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc3cc[nH]c3c2)C2CCCC2)CC1 ZINC001209519626 1050066097 /nfs/dbraw/zinc/06/60/97/1050066097.db2.gz YWFMTQACJQOWSG-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209655354 1050073898 /nfs/dbraw/zinc/07/38/98/1050073898.db2.gz VLERTPFFCUWEIA-UHFFFAOYSA-N 2 2 319.880 4.128 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2cc[nH+]c(SC)c2)cc1 ZINC001209821919 1050089327 /nfs/dbraw/zinc/08/93/27/1050089327.db2.gz NKOHEODXXJHFEE-UHFFFAOYSA-N 2 2 301.459 4.389 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001209822453 1050089432 /nfs/dbraw/zinc/08/94/32/1050089432.db2.gz WYCWFMVRNYQKQU-UHFFFAOYSA-N 2 2 320.440 4.458 20 0 DIADLP Cc1cc(C)c([N@@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)cc1C ZINC001209830969 1050090879 /nfs/dbraw/zinc/09/08/79/1050090879.db2.gz COTXLUFBLCSBRK-UHFFFAOYSA-N 2 2 321.399 4.270 20 0 DIADLP Cc1cc(C)c([N@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)cc1C ZINC001209830969 1050090883 /nfs/dbraw/zinc/09/08/83/1050090883.db2.gz COTXLUFBLCSBRK-UHFFFAOYSA-N 2 2 321.399 4.270 20 0 DIADLP Cc1cc(Nc2ccc(C[NH+]3CCCC3)cc2)ccc1[NH+](C)C ZINC001210042230 1050127875 /nfs/dbraw/zinc/12/78/75/1050127875.db2.gz XXZCXTXDHALELL-UHFFFAOYSA-N 2 2 309.457 4.400 20 0 DIADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CCC(C)(C)C3)cc2)CC1 ZINC000824066700 1050182485 /nfs/dbraw/zinc/18/24/85/1050182485.db2.gz VFCFUUOGZXRSKK-QGZVFWFLSA-N 2 2 315.505 4.208 20 0 DIADLP Cc1[nH+]cc(Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1N ZINC001210289577 1050191684 /nfs/dbraw/zinc/19/16/84/1050191684.db2.gz SCEYFRYBEPSVRA-UHFFFAOYSA-N 2 2 324.472 4.480 20 0 DIADLP Cc1[nH+]cc(Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1N ZINC001210289577 1050191691 /nfs/dbraw/zinc/19/16/91/1050191691.db2.gz SCEYFRYBEPSVRA-UHFFFAOYSA-N 2 2 324.472 4.480 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC ZINC000378883942 1050192008 /nfs/dbraw/zinc/19/20/08/1050192008.db2.gz GSXIHQGUHIXTRM-LJQANCHMSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)s1 ZINC000573886737 1050260436 /nfs/dbraw/zinc/26/04/36/1050260436.db2.gz DFAMDXIRWROSBZ-UKRRQHHQSA-N 2 2 323.465 4.346 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)s1 ZINC000573886738 1050260994 /nfs/dbraw/zinc/26/09/94/1050260994.db2.gz DFAMDXIRWROSBZ-ZFWWWQNUSA-N 2 2 323.465 4.346 20 0 DIADLP C[C@H]([NH2+]Cc1cscc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000771972806 1050306309 /nfs/dbraw/zinc/30/63/09/1050306309.db2.gz YMOBJMGRAPTRDL-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP C[C@@H]([NH2+]Cc1cscc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000771972805 1050307301 /nfs/dbraw/zinc/30/73/01/1050307301.db2.gz YMOBJMGRAPTRDL-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)C2 ZINC000575222002 1050649439 /nfs/dbraw/zinc/64/94/39/1050649439.db2.gz LHEWXXOXKUYICB-PXNSSMCTSA-N 2 2 309.457 4.178 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC001213501273 1050673744 /nfs/dbraw/zinc/67/37/44/1050673744.db2.gz QDZMQXMSGMIQQX-LJQANCHMSA-N 2 2 323.440 4.396 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCC(F)(F)CC1 ZINC000788989048 1050774167 /nfs/dbraw/zinc/77/41/67/1050774167.db2.gz UMFNPTGFCYFGBK-HIFRSBDPSA-N 2 2 313.436 4.101 20 0 DIADLP CCCC[C@H](CC(C)C)[N@@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246652017 1050806988 /nfs/dbraw/zinc/80/69/88/1050806988.db2.gz HCRDGLFYHVREJO-OAHLLOKOSA-N 2 2 302.453 4.055 20 0 DIADLP CCCC[C@H](CC(C)C)[N@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246652017 1050807000 /nfs/dbraw/zinc/80/70/00/1050807000.db2.gz HCRDGLFYHVREJO-OAHLLOKOSA-N 2 2 302.453 4.055 20 0 DIADLP C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391887 1050829458 /nfs/dbraw/zinc/82/94/58/1050829458.db2.gz MZMDQCNGALUAOR-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP COc1ccc(C)cc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392803 1050830294 /nfs/dbraw/zinc/83/02/94/1050830294.db2.gz SJBCSWNLEUVJSY-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000037156381 1051113339 /nfs/dbraw/zinc/11/33/39/1051113339.db2.gz KPSJHNTYFIZRDU-CJNGLKHVSA-N 2 2 305.853 4.302 20 0 DIADLP Cc1cccc2c1CC[C@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)C2 ZINC001171562824 1051168272 /nfs/dbraw/zinc/16/82/72/1051168272.db2.gz AETCKPUJRKDHAD-IBGZPJMESA-N 2 2 317.436 4.047 20 0 DIADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001170294834 1051177883 /nfs/dbraw/zinc/17/78/83/1051177883.db2.gz SBKWFPABIDVGJT-MRXNPFEDSA-N 2 2 320.908 4.221 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327233 1051246794 /nfs/dbraw/zinc/24/67/94/1051246794.db2.gz VKXKVXRLQDKAGU-LSDHHAIUSA-N 2 2 311.454 4.216 20 0 DIADLP CC1(C)C[C@H]([NH+]2CC3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171988833 1051257438 /nfs/dbraw/zinc/25/74/38/1051257438.db2.gz WEHMUKURWITIBT-SOAGJPPSSA-N 2 2 312.501 4.304 20 0 DIADLP CC1(C)C[C@H]([NH+]2CC3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171988833 1051257445 /nfs/dbraw/zinc/25/74/45/1051257445.db2.gz WEHMUKURWITIBT-SOAGJPPSSA-N 2 2 312.501 4.304 20 0 DIADLP CC1(C)C[C@H]([N@@H+]2CC3CCC2CC3)CC[NH+]1Cc1ccccc1 ZINC001171988833 1051257452 /nfs/dbraw/zinc/25/74/52/1051257452.db2.gz WEHMUKURWITIBT-SOAGJPPSSA-N 2 2 312.501 4.304 20 0 DIADLP CC1(C)C[C@H]([N@H+]2CC3CCC2CC3)CC[NH+]1Cc1ccccc1 ZINC001171988833 1051257463 /nfs/dbraw/zinc/25/74/63/1051257463.db2.gz WEHMUKURWITIBT-SOAGJPPSSA-N 2 2 312.501 4.304 20 0 DIADLP F[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075438 1051274040 /nfs/dbraw/zinc/27/40/40/1051274040.db2.gz XKBPJIQDLCRQOG-HAGHYFMRSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075438 1051274055 /nfs/dbraw/zinc/27/40/55/1051274055.db2.gz XKBPJIQDLCRQOG-HAGHYFMRSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075438 1051274063 /nfs/dbraw/zinc/27/40/63/1051274063.db2.gz XKBPJIQDLCRQOG-HAGHYFMRSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075438 1051274078 /nfs/dbraw/zinc/27/40/78/1051274078.db2.gz XKBPJIQDLCRQOG-HAGHYFMRSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075441 1051274272 /nfs/dbraw/zinc/27/42/72/1051274272.db2.gz XKBPJIQDLCRQOG-VNTMZGSJSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075441 1051274288 /nfs/dbraw/zinc/27/42/88/1051274288.db2.gz XKBPJIQDLCRQOG-VNTMZGSJSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075441 1051274292 /nfs/dbraw/zinc/27/42/92/1051274292.db2.gz XKBPJIQDLCRQOG-VNTMZGSJSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075441 1051274309 /nfs/dbraw/zinc/27/43/09/1051274309.db2.gz XKBPJIQDLCRQOG-VNTMZGSJSA-N 2 2 316.464 4.006 20 0 DIADLP CC[N@H+](Cc1c(F)cccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131611 1051292536 /nfs/dbraw/zinc/29/25/36/1051292536.db2.gz XPVCFQXVGVOZHR-FICVDOATSA-N 2 2 324.871 4.316 20 0 DIADLP CC[N@@H+](Cc1c(F)cccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131611 1051292549 /nfs/dbraw/zinc/29/25/49/1051292549.db2.gz XPVCFQXVGVOZHR-FICVDOATSA-N 2 2 324.871 4.316 20 0 DIADLP CC[NH+](Cc1c(F)cccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131611 1051292565 /nfs/dbraw/zinc/29/25/65/1051292565.db2.gz XPVCFQXVGVOZHR-FICVDOATSA-N 2 2 324.871 4.316 20 0 DIADLP CC[NH+](Cc1c(F)cccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131611 1051292579 /nfs/dbraw/zinc/29/25/79/1051292579.db2.gz XPVCFQXVGVOZHR-FICVDOATSA-N 2 2 324.871 4.316 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Oc2ccccc2)cc1 ZINC001168824552 1051446715 /nfs/dbraw/zinc/44/67/15/1051446715.db2.gz BKQABBIBRMYXGR-SJLPKXTDSA-N 2 2 310.441 4.224 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Oc2ccccc2)cc1 ZINC001168824552 1051446719 /nfs/dbraw/zinc/44/67/19/1051446719.db2.gz BKQABBIBRMYXGR-SJLPKXTDSA-N 2 2 310.441 4.224 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C3CCC4(CCCC4)CC3)cc2)c[nH+]1 ZINC001172725301 1051486484 /nfs/dbraw/zinc/48/64/84/1051486484.db2.gz SXIMTNISNQVGDS-UHFFFAOYSA-N 2 2 309.457 4.465 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC001172715173 1051496645 /nfs/dbraw/zinc/49/66/45/1051496645.db2.gz JHGYSBSZOCORCW-GOSISDBHSA-N 2 2 323.827 4.002 20 0 DIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082327 1051513784 /nfs/dbraw/zinc/51/37/84/1051513784.db2.gz YPCWHCBCOFXWAV-RUZUBIRVSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082327 1051513790 /nfs/dbraw/zinc/51/37/90/1051513790.db2.gz YPCWHCBCOFXWAV-RUZUBIRVSA-N 2 2 313.272 4.269 20 0 DIADLP CC[N@H+](C1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001172822822 1051514929 /nfs/dbraw/zinc/51/49/29/1051514929.db2.gz TVGRFXMXWVBQJW-UHFFFAOYSA-N 2 2 314.517 4.204 20 0 DIADLP CC[N@@H+](C1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001172822822 1051514941 /nfs/dbraw/zinc/51/49/41/1051514941.db2.gz TVGRFXMXWVBQJW-UHFFFAOYSA-N 2 2 314.517 4.204 20 0 DIADLP Cc1ccc2c(c1)C[C@@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)CC2 ZINC001172839055 1051526926 /nfs/dbraw/zinc/52/69/26/1051526926.db2.gz RHGYVZQVBKBZBA-FQEVSTJZSA-N 2 2 317.436 4.047 20 0 DIADLP CC1(C)C[C@@H](Nc2cc3cc(F)ccc3c[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169141014 1051532687 /nfs/dbraw/zinc/53/26/87/1051532687.db2.gz IKTNHJSFTWSSCF-VQIMIIECSA-N 2 2 315.436 4.330 20 0 DIADLP CCOc1ccc([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1C ZINC001169148864 1051534390 /nfs/dbraw/zinc/53/43/90/1051534390.db2.gz WKRVNHKRQRYMHP-VQIMIIECSA-N 2 2 304.478 4.349 20 0 DIADLP c1cn(Cc2ccc(Nc3cc[nH+]c(C4CCC4)c3)cc2)c[nH+]1 ZINC001212695066 1051583589 /nfs/dbraw/zinc/58/35/89/1051583589.db2.gz MCBAMTPODLHIHX-UHFFFAOYSA-N 2 2 304.397 4.338 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173206774 1051645448 /nfs/dbraw/zinc/64/54/48/1051645448.db2.gz WXSDJRIVONIFPL-RXVVDRJESA-N 2 2 322.496 4.281 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173206774 1051645454 /nfs/dbraw/zinc/64/54/54/1051645454.db2.gz WXSDJRIVONIFPL-RXVVDRJESA-N 2 2 322.496 4.281 20 0 DIADLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173270147 1051666954 /nfs/dbraw/zinc/66/69/54/1051666954.db2.gz AVUPSKWIYRNXIU-UZLBHIALSA-N 2 2 318.480 4.267 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1[nH+]cc(C)c2cc[nH]c21 ZINC001169685846 1051671503 /nfs/dbraw/zinc/67/15/03/1051671503.db2.gz SCWDSTLCOOTUME-INIZCTEOSA-N 2 2 306.413 4.111 20 0 DIADLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173276904 1051686884 /nfs/dbraw/zinc/68/68/84/1051686884.db2.gz WNZXYEIKTBTKHU-OXQOHEQNSA-N 2 2 318.480 4.267 20 0 DIADLP CC[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285755 1051690764 /nfs/dbraw/zinc/69/07/64/1051690764.db2.gz XZUIOJCCCZXSBS-OXJNMPFZSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285755 1051690783 /nfs/dbraw/zinc/69/07/83/1051690783.db2.gz XZUIOJCCCZXSBS-OXJNMPFZSA-N 2 2 318.480 4.301 20 0 DIADLP c1cn(C2CC[NH+]([C@H]3CCCC4(CCCCC4)C3)CC2)c[nH+]1 ZINC001173343024 1051702334 /nfs/dbraw/zinc/70/23/34/1051702334.db2.gz GFKZDVURRZKTQT-SFHVURJKSA-N 2 2 301.478 4.413 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCSCC1 ZINC000187204804 1051840853 /nfs/dbraw/zinc/84/08/53/1051840853.db2.gz CEPROCBVCYJQJB-CVEARBPZSA-N 2 2 320.546 4.237 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CCSCC1)c1ccccc1 ZINC000187204785 1051841890 /nfs/dbraw/zinc/84/18/90/1051841890.db2.gz CEPROCBVCYJQJB-JKSUJKDBSA-N 2 2 320.546 4.237 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890037 1051930194 /nfs/dbraw/zinc/93/01/94/1051930194.db2.gz FJAKSHWYKTYQMU-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP CCc1ccccc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189907917 1051930608 /nfs/dbraw/zinc/93/06/08/1051930608.db2.gz FDZGVEPCALSYSC-MRXNPFEDSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000192158506 1052000581 /nfs/dbraw/zinc/00/05/81/1052000581.db2.gz ROYIEFNYFYHWRN-UHFFFAOYSA-N 2 2 321.399 4.099 20 0 DIADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382509 1052143609 /nfs/dbraw/zinc/14/36/09/1052143609.db2.gz SWOPQBKPIRIZCC-UHFFFAOYSA-N 2 2 323.375 4.456 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000315427975 1052337891 /nfs/dbraw/zinc/33/78/91/1052337891.db2.gz KGRCEODLJSZZIG-HKUYNNGSSA-N 2 2 304.522 4.309 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000315633870 1052346567 /nfs/dbraw/zinc/34/65/67/1052346567.db2.gz YDDLTGSSCQWMKV-BLLLJJGKSA-N 2 2 323.843 4.441 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000315938564 1052356591 /nfs/dbraw/zinc/35/65/91/1052356591.db2.gz WUNDIGFILNDTDP-IRXDYDNUSA-N 2 2 303.425 4.178 20 0 DIADLP CC1(C)CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000316348349 1052366541 /nfs/dbraw/zinc/36/65/41/1052366541.db2.gz YZFJMOZIEVWJIJ-MOPGFXCFSA-N 2 2 300.490 4.382 20 0 DIADLP CC1(C)CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000316348355 1052367099 /nfs/dbraw/zinc/36/70/99/1052367099.db2.gz YZFJMOZIEVWJIJ-RTBURBONSA-N 2 2 300.490 4.382 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000236792754 1052431617 /nfs/dbraw/zinc/43/16/17/1052431617.db2.gz DGTGPVNEOYBMKW-UHFFFAOYSA-N 2 2 312.457 4.157 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000237512381 1052441968 /nfs/dbraw/zinc/44/19/68/1052441968.db2.gz YNVSJGRUZRFOPG-INIZCTEOSA-N 2 2 321.468 4.387 20 0 DIADLP Clc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222167341 1052456149 /nfs/dbraw/zinc/45/61/49/1052456149.db2.gz KOLBEXVLYFKSNA-INIZCTEOSA-N 2 2 312.910 4.147 20 0 DIADLP Clc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222167341 1052456151 /nfs/dbraw/zinc/45/61/51/1052456151.db2.gz KOLBEXVLYFKSNA-INIZCTEOSA-N 2 2 312.910 4.147 20 0 DIADLP Clc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222310890 1052478794 /nfs/dbraw/zinc/47/87/94/1052478794.db2.gz XTPKQMGATJGSCT-INIZCTEOSA-N 2 2 313.272 4.102 20 0 DIADLP Clc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222310890 1052478797 /nfs/dbraw/zinc/47/87/97/1052478797.db2.gz XTPKQMGATJGSCT-INIZCTEOSA-N 2 2 313.272 4.102 20 0 DIADLP c1sc2ccccc2c1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222389816 1052495243 /nfs/dbraw/zinc/49/52/43/1052495243.db2.gz GVVPSIOLXUZDCV-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1sc2ccccc2c1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222389816 1052495247 /nfs/dbraw/zinc/49/52/47/1052495247.db2.gz GVVPSIOLXUZDCV-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222435866 1052500885 /nfs/dbraw/zinc/50/08/85/1052500885.db2.gz UETJTCWAJPVUDO-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222435866 1052500892 /nfs/dbraw/zinc/50/08/92/1052500892.db2.gz UETJTCWAJPVUDO-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038312 1052563990 /nfs/dbraw/zinc/56/39/90/1052563990.db2.gz VLWXCOUKOJNTML-UWJYYQICSA-N 2 2 324.468 4.098 20 0 DIADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038312 1052563996 /nfs/dbraw/zinc/56/39/96/1052563996.db2.gz VLWXCOUKOJNTML-UWJYYQICSA-N 2 2 324.468 4.098 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649378 1052628142 /nfs/dbraw/zinc/62/81/42/1052628142.db2.gz KYMAXXKESKGZIH-RYUDHWBXSA-N 2 2 313.272 4.128 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649378 1052628144 /nfs/dbraw/zinc/62/81/44/1052628144.db2.gz KYMAXXKESKGZIH-RYUDHWBXSA-N 2 2 313.272 4.128 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cncs1 ZINC000125092394 1052646006 /nfs/dbraw/zinc/64/60/06/1052646006.db2.gz QRPASJJLNKDLEM-HUUCEWRRSA-N 2 2 315.486 4.019 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000126896850 1052684554 /nfs/dbraw/zinc/68/45/54/1052684554.db2.gz NELVMYJBOVOOGL-HOTGVXAUSA-N 2 2 318.486 4.212 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000126896850 1052684558 /nfs/dbraw/zinc/68/45/58/1052684558.db2.gz NELVMYJBOVOOGL-HOTGVXAUSA-N 2 2 318.486 4.212 20 0 DIADLP c1cn(CCCC[NH2+]Cc2ccccc2-c2ccccc2)c[nH+]1 ZINC000918196961 1052786089 /nfs/dbraw/zinc/78/60/89/1052786089.db2.gz CBKICGOWKLENON-UHFFFAOYSA-N 2 2 305.425 4.120 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001227266209 1052978172 /nfs/dbraw/zinc/97/81/72/1052978172.db2.gz YHNXHWXMQLKSCH-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001227266209 1052978175 /nfs/dbraw/zinc/97/81/75/1052978175.db2.gz YHNXHWXMQLKSCH-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001474626758 1053067243 /nfs/dbraw/zinc/06/72/43/1053067243.db2.gz QZLWIRADIKQZIV-SESVDKBCSA-N 2 2 314.517 4.108 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251228718 1053227265 /nfs/dbraw/zinc/22/72/65/1053227265.db2.gz AQFILDQCGIJPIR-DMDPSCGWSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251228718 1053227273 /nfs/dbraw/zinc/22/72/73/1053227273.db2.gz AQFILDQCGIJPIR-DMDPSCGWSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251589885 1053239836 /nfs/dbraw/zinc/23/98/36/1053239836.db2.gz XKQZWPFARJYQJK-TUAOUCFPSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251589885 1053239849 /nfs/dbraw/zinc/23/98/49/1053239849.db2.gz XKQZWPFARJYQJK-TUAOUCFPSA-N 2 2 301.261 4.114 20 0 DIADLP Clc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000091261950 1053255912 /nfs/dbraw/zinc/25/59/12/1053255912.db2.gz KWVVFUJFSSRQNC-INIZCTEOSA-N 2 2 324.255 4.321 20 0 DIADLP CCCc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC001200077552 1053357893 /nfs/dbraw/zinc/35/78/93/1053357893.db2.gz RKQMOQITUZSIPZ-UHFFFAOYSA-N 2 2 303.475 4.078 20 0 DIADLP Cc1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC001321282091 1053404380 /nfs/dbraw/zinc/40/43/80/1053404380.db2.gz JJDSMPKRFSROJI-ACDBMABISA-N 2 2 321.468 4.306 20 0 DIADLP Cc1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC001321282091 1053404386 /nfs/dbraw/zinc/40/43/86/1053404386.db2.gz JJDSMPKRFSROJI-ACDBMABISA-N 2 2 321.468 4.306 20 0 DIADLP Cc1cc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1C ZINC001231482335 1053764043 /nfs/dbraw/zinc/76/40/43/1053764043.db2.gz IXJLFEDWRHMSLF-UHFFFAOYSA-N 2 2 310.441 4.050 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268693827 1053765864 /nfs/dbraw/zinc/76/58/64/1053765864.db2.gz AIKKMIYCEHTZQS-JKSUJKDBSA-N 2 2 321.424 4.293 20 0 DIADLP CCc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001231504039 1053771093 /nfs/dbraw/zinc/77/10/93/1053771093.db2.gz SWCDZRPPLXNMKU-UHFFFAOYSA-N 2 2 306.519 4.149 20 0 DIADLP CCc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001231504039 1053771101 /nfs/dbraw/zinc/77/11/01/1053771101.db2.gz SWCDZRPPLXNMKU-UHFFFAOYSA-N 2 2 306.519 4.149 20 0 DIADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)c(Oc2ccccc2)c1 ZINC001231537419 1053782823 /nfs/dbraw/zinc/78/28/23/1053782823.db2.gz WUENCSOZPBPORI-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)c(Oc2ccccc2)c1 ZINC001231537419 1053782829 /nfs/dbraw/zinc/78/28/29/1053782829.db2.gz WUENCSOZPBPORI-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP CC[N@H+](Cc1ccc(-c2ccc(C)o2)cc1)C1CC[NH+](C)CC1 ZINC001231598503 1053798830 /nfs/dbraw/zinc/79/88/30/1053798830.db2.gz VRNZYIOAUICYFM-UHFFFAOYSA-N 2 2 312.457 4.171 20 0 DIADLP CC[N@@H+](Cc1ccc(-c2ccc(C)o2)cc1)C1CC[NH+](C)CC1 ZINC001231598503 1053798847 /nfs/dbraw/zinc/79/88/47/1053798847.db2.gz VRNZYIOAUICYFM-UHFFFAOYSA-N 2 2 312.457 4.171 20 0 DIADLP Cc1csc2sc(C[NH+]3CCC([NH+](C)C)CC3)c(C)c12 ZINC001231828411 1053883755 /nfs/dbraw/zinc/88/37/55/1053883755.db2.gz HNOOTXLIWYUOMZ-UHFFFAOYSA-N 2 2 308.516 4.106 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000158105266 1053887156 /nfs/dbraw/zinc/88/71/56/1053887156.db2.gz FDIXHGKADWFNBA-IEZWGBDMSA-N 2 2 312.457 4.149 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000158105266 1053887170 /nfs/dbraw/zinc/88/71/70/1053887170.db2.gz FDIXHGKADWFNBA-IEZWGBDMSA-N 2 2 312.457 4.149 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001232079175 1053956600 /nfs/dbraw/zinc/95/66/00/1053956600.db2.gz MLMFWTFYTSXJLN-UHFFFAOYSA-N 2 2 314.517 4.434 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl ZINC000296098718 1054084569 /nfs/dbraw/zinc/08/45/69/1054084569.db2.gz YPCWHCBCOFXWAV-HLVVYCRESA-N 2 2 313.272 4.269 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl ZINC000296098718 1054084584 /nfs/dbraw/zinc/08/45/84/1054084584.db2.gz YPCWHCBCOFXWAV-HLVVYCRESA-N 2 2 313.272 4.269 20 0 DIADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3[nH]c(C)[nH+]c3C)oc21 ZINC001332886122 1054131536 /nfs/dbraw/zinc/13/15/36/1054131536.db2.gz SCPGHTACNMDNTO-GFCCVEGCSA-N 2 2 313.401 4.022 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCCC(F)(F)F)c1ccccc1 ZINC001333722927 1054168764 /nfs/dbraw/zinc/16/87/64/1054168764.db2.gz BYBFCFCCRPYKPX-CYBMUJFWSA-N 2 2 302.384 4.048 20 0 DIADLP CC(C)C(C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000671307111 1054548202 /nfs/dbraw/zinc/54/82/02/1054548202.db2.gz PDSIWAWUDJJBLA-IBGZPJMESA-N 2 2 313.489 4.222 20 0 DIADLP C[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000670270543 1054592970 /nfs/dbraw/zinc/59/29/70/1054592970.db2.gz QRDGSESAUMQWDE-LRVUVFPRSA-N 2 2 320.443 4.064 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235118660 1054662949 /nfs/dbraw/zinc/66/29/49/1054662949.db2.gz GTXJKLQWWLJYEJ-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235118660 1054662954 /nfs/dbraw/zinc/66/29/54/1054662954.db2.gz GTXJKLQWWLJYEJ-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235181196 1054675566 /nfs/dbraw/zinc/67/55/66/1054675566.db2.gz ZVKIWFNDCFRWRG-HXUWFJFHSA-N 2 2 310.441 4.055 20 0 DIADLP c1cc(-c2ccccc2)oc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235181196 1054675573 /nfs/dbraw/zinc/67/55/73/1054675573.db2.gz ZVKIWFNDCFRWRG-HXUWFJFHSA-N 2 2 310.441 4.055 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000179755868 1054701274 /nfs/dbraw/zinc/70/12/74/1054701274.db2.gz KAVLEOHCRHQXPS-UHFFFAOYSA-N 2 2 322.443 4.197 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001235364221 1054708855 /nfs/dbraw/zinc/70/88/55/1054708855.db2.gz WQWXJDFLYXIXEN-KRWDZBQOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001235364221 1054708874 /nfs/dbraw/zinc/70/88/74/1054708874.db2.gz WQWXJDFLYXIXEN-KRWDZBQOSA-N 2 2 321.251 4.193 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000179906105 1054713752 /nfs/dbraw/zinc/71/37/52/1054713752.db2.gz MLQWHLCZGIRVPY-WMLDXEAASA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000179906105 1054713767 /nfs/dbraw/zinc/71/37/67/1054713767.db2.gz MLQWHLCZGIRVPY-WMLDXEAASA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906105 1054713775 /nfs/dbraw/zinc/71/37/75/1054713775.db2.gz MLQWHLCZGIRVPY-WMLDXEAASA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906105 1054713791 /nfs/dbraw/zinc/71/37/91/1054713791.db2.gz MLQWHLCZGIRVPY-WMLDXEAASA-N 2 2 316.420 4.000 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2C)CC1 ZINC001235725365 1054789234 /nfs/dbraw/zinc/78/92/34/1054789234.db2.gz VTASVVVYGXGPMG-UHFFFAOYSA-N 2 2 324.468 4.361 20 0 DIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(C)ccc1C ZINC000623861313 1054793147 /nfs/dbraw/zinc/79/31/47/1054793147.db2.gz UTYUGVZPIIDGEX-IBGZPJMESA-N 2 2 311.473 4.120 20 0 DIADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C)sc1C ZINC000623964908 1054837782 /nfs/dbraw/zinc/83/77/82/1054837782.db2.gz UAWFZDSIKJGMFE-GDBMZVCRSA-N 2 2 303.475 4.007 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235903731 1054842205 /nfs/dbraw/zinc/84/22/05/1054842205.db2.gz IYMXEJLXYIIRBO-YLJYHZDGSA-N 2 2 308.469 4.282 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235903731 1054842215 /nfs/dbraw/zinc/84/22/15/1054842215.db2.gz IYMXEJLXYIIRBO-YLJYHZDGSA-N 2 2 308.469 4.282 20 0 DIADLP COc1cc(C)[nH+]cc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236014495 1054896435 /nfs/dbraw/zinc/89/64/35/1054896435.db2.gz DDOJQVBIBIZXGE-UHFFFAOYSA-N 2 2 314.404 4.191 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236051869 1054916344 /nfs/dbraw/zinc/91/63/44/1054916344.db2.gz OALSYUIMDHDEEH-QRWLVFNGSA-N 2 2 308.469 4.140 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236051869 1054916355 /nfs/dbraw/zinc/91/63/55/1054916355.db2.gz OALSYUIMDHDEEH-QRWLVFNGSA-N 2 2 308.469 4.140 20 0 DIADLP CC[N@H+](CC[NH3+])Cc1cc(C)c(-c2ccc(F)cc2F)c(C)c1 ZINC001236143878 1054968761 /nfs/dbraw/zinc/96/87/61/1054968761.db2.gz MICPTJKHFUJGNJ-UHFFFAOYSA-N 2 2 318.411 4.029 20 0 DIADLP CC[N@@H+](CC[NH3+])Cc1cc(C)c(-c2ccc(F)cc2F)c(C)c1 ZINC001236143878 1054968767 /nfs/dbraw/zinc/96/87/67/1054968767.db2.gz MICPTJKHFUJGNJ-UHFFFAOYSA-N 2 2 318.411 4.029 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215077 1055001300 /nfs/dbraw/zinc/00/13/00/1055001300.db2.gz VSRMEFTZGAYKIX-IRXDYDNUSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215077 1055001315 /nfs/dbraw/zinc/00/13/15/1055001315.db2.gz VSRMEFTZGAYKIX-IRXDYDNUSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@H+](Cc1cc(-c2ccsc2)cs1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218333 1055004706 /nfs/dbraw/zinc/00/47/06/1055004706.db2.gz SCDSGKHMGJSACD-HOTGVXAUSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1cc(-c2ccsc2)cs1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218333 1055004720 /nfs/dbraw/zinc/00/47/20/1055004720.db2.gz SCDSGKHMGJSACD-HOTGVXAUSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218847 1055010508 /nfs/dbraw/zinc/01/05/08/1055010508.db2.gz UFFIDULUXOCZHW-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218847 1055010520 /nfs/dbraw/zinc/01/05/20/1055010520.db2.gz UFFIDULUXOCZHW-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219610 1055010947 /nfs/dbraw/zinc/01/09/47/1055010947.db2.gz WWGWLUZMHLTJKK-HUUCEWRRSA-N 2 2 301.261 4.004 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219610 1055010961 /nfs/dbraw/zinc/01/09/61/1055010961.db2.gz WWGWLUZMHLTJKK-HUUCEWRRSA-N 2 2 301.261 4.004 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182877470 1055014479 /nfs/dbraw/zinc/01/44/79/1055014479.db2.gz JIFLYWVIHDXJAD-AWEZNQCLSA-N 2 2 303.837 4.152 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182877470 1055014494 /nfs/dbraw/zinc/01/44/94/1055014494.db2.gz JIFLYWVIHDXJAD-AWEZNQCLSA-N 2 2 303.837 4.152 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236224703 1055015697 /nfs/dbraw/zinc/01/56/97/1055015697.db2.gz XOMWUJFISQWUNC-FQEVSTJZSA-N 2 2 320.480 4.378 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236224703 1055015711 /nfs/dbraw/zinc/01/57/11/1055015711.db2.gz XOMWUJFISQWUNC-FQEVSTJZSA-N 2 2 320.480 4.378 20 0 DIADLP c1csc(-c2ccccc2C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236242444 1055025929 /nfs/dbraw/zinc/02/59/29/1055025929.db2.gz YCGMKZLIMCGMEW-KRWDZBQOSA-N 2 2 312.482 4.132 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236242444 1055025939 /nfs/dbraw/zinc/02/59/39/1055025939.db2.gz YCGMKZLIMCGMEW-KRWDZBQOSA-N 2 2 312.482 4.132 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236239479 1055027395 /nfs/dbraw/zinc/02/73/95/1055027395.db2.gz HIUBBKFTWWXWMK-FQEVSTJZSA-N 2 2 320.480 4.378 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236239479 1055027407 /nfs/dbraw/zinc/02/74/07/1055027407.db2.gz HIUBBKFTWWXWMK-FQEVSTJZSA-N 2 2 320.480 4.378 20 0 DIADLP Cc1cn2c(cccc2-c2ccc(C[NH+]3CCCCC3)c(F)c2)[nH+]1 ZINC001236249156 1055031516 /nfs/dbraw/zinc/03/15/16/1055031516.db2.gz OVJHEMPJWNZHFX-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP CCC[N@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CC[NH2+]C1 ZINC001236324504 1055057294 /nfs/dbraw/zinc/05/72/94/1055057294.db2.gz WEFNUGZGDPZSJK-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP CCC[N@@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CC[NH2+]C1 ZINC001236324504 1055057309 /nfs/dbraw/zinc/05/73/09/1055057309.db2.gz WEFNUGZGDPZSJK-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP CCC[N@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CC[NH2+]C1 ZINC001236324502 1055057581 /nfs/dbraw/zinc/05/75/81/1055057581.db2.gz WEFNUGZGDPZSJK-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP CCC[N@@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CC[NH2+]C1 ZINC001236324502 1055057596 /nfs/dbraw/zinc/05/75/96/1055057596.db2.gz WEFNUGZGDPZSJK-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP Cc1ccc(F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236373673 1055080905 /nfs/dbraw/zinc/08/09/05/1055080905.db2.gz JBOMCYNMJDUEOI-HNNXBMFYSA-N 2 2 322.443 4.017 20 0 DIADLP Cc1ccc(F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236373673 1055080914 /nfs/dbraw/zinc/08/09/14/1055080914.db2.gz JBOMCYNMJDUEOI-HNNXBMFYSA-N 2 2 322.443 4.017 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)ccc21 ZINC001236423098 1055106846 /nfs/dbraw/zinc/10/68/46/1055106846.db2.gz ZBGBBWQCPDSVPR-DNVCBOLYSA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)ccc21 ZINC001236423098 1055106853 /nfs/dbraw/zinc/10/68/53/1055106853.db2.gz ZBGBBWQCPDSVPR-DNVCBOLYSA-N 2 2 321.468 4.126 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236421549 1055106939 /nfs/dbraw/zinc/10/69/39/1055106939.db2.gz UNEWVZCGNRRBGR-UWJYYQICSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)c1 ZINC001236421549 1055106945 /nfs/dbraw/zinc/10/69/45/1055106945.db2.gz UNEWVZCGNRRBGR-UWJYYQICSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421287 1055107396 /nfs/dbraw/zinc/10/73/96/1055107396.db2.gz SZQWPTPIHNLKDP-DYVFJYSZSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421287 1055107403 /nfs/dbraw/zinc/10/74/03/1055107403.db2.gz SZQWPTPIHNLKDP-DYVFJYSZSA-N 2 2 310.466 4.366 20 0 DIADLP CC(C)(C)C[N@H+](Cc1cc(F)ccc1Cl)C1CC[NH2+]CC1 ZINC001236458707 1055127339 /nfs/dbraw/zinc/12/73/39/1055127339.db2.gz WEEKGPSOQWFUCU-UHFFFAOYSA-N 2 2 312.860 4.079 20 0 DIADLP CC(C)(C)C[N@@H+](Cc1cc(F)ccc1Cl)C1CC[NH2+]CC1 ZINC001236458707 1055127344 /nfs/dbraw/zinc/12/73/44/1055127344.db2.gz WEEKGPSOQWFUCU-UHFFFAOYSA-N 2 2 312.860 4.079 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236524514 1055160227 /nfs/dbraw/zinc/16/02/27/1055160227.db2.gz VTFWUGSXBMIORZ-UHFFFAOYSA-N 2 2 304.437 4.109 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236524514 1055160233 /nfs/dbraw/zinc/16/02/33/1055160233.db2.gz VTFWUGSXBMIORZ-UHFFFAOYSA-N 2 2 304.437 4.109 20 0 DIADLP Cc1ccc2nc(C[N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)ccc2c1 ZINC001236653869 1055215680 /nfs/dbraw/zinc/21/56/80/1055215680.db2.gz SVJNQHDAMOYZID-FQEVSTJZSA-N 2 2 323.484 4.040 20 0 DIADLP Cc1ccc2nc(C[N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)ccc2c1 ZINC001236653869 1055215690 /nfs/dbraw/zinc/21/56/90/1055215690.db2.gz SVJNQHDAMOYZID-FQEVSTJZSA-N 2 2 323.484 4.040 20 0 DIADLP Fc1ccc2occ(C[N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)c2c1 ZINC001236654626 1055216037 /nfs/dbraw/zinc/21/60/37/1055216037.db2.gz QLPNNCBKVONIBV-QGZVFWFLSA-N 2 2 316.420 4.069 20 0 DIADLP Fc1ccc2occ(C[N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)c2c1 ZINC001236654626 1055216045 /nfs/dbraw/zinc/21/60/45/1055216045.db2.gz QLPNNCBKVONIBV-QGZVFWFLSA-N 2 2 316.420 4.069 20 0 DIADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2Cl)cc1 ZINC001236871232 1055299286 /nfs/dbraw/zinc/29/92/86/1055299286.db2.gz YWGOUHGCJLOOCH-INIZCTEOSA-N 2 2 302.849 4.176 20 0 DIADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2Cl)cc1 ZINC001236871232 1055299294 /nfs/dbraw/zinc/29/92/94/1055299294.db2.gz YWGOUHGCJLOOCH-INIZCTEOSA-N 2 2 302.849 4.176 20 0 DIADLP Clc1cc(C[NH+]2C3CCCC2CCC3)ccc1-n1cc[nH+]c1 ZINC001236913073 1055311982 /nfs/dbraw/zinc/31/19/82/1055311982.db2.gz ZQWGBOYFYTYCLH-UHFFFAOYSA-N 2 2 315.848 4.433 20 0 DIADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907254 1055312951 /nfs/dbraw/zinc/31/29/51/1055312951.db2.gz AUMAMTFHTQBAKM-INIZCTEOSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907254 1055312971 /nfs/dbraw/zinc/31/29/71/1055312971.db2.gz AUMAMTFHTQBAKM-INIZCTEOSA-N 2 2 303.837 4.146 20 0 DIADLP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917134 1055315569 /nfs/dbraw/zinc/31/55/69/1055315569.db2.gz RIAAPLHPPLJZFK-OAHLLOKOSA-N 2 2 303.837 4.290 20 0 DIADLP CC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917134 1055315588 /nfs/dbraw/zinc/31/55/88/1055315588.db2.gz RIAAPLHPPLJZFK-OAHLLOKOSA-N 2 2 303.837 4.290 20 0 DIADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236918415 1055316183 /nfs/dbraw/zinc/31/61/83/1055316183.db2.gz BQSJDEDHHYQBPS-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236918415 1055316199 /nfs/dbraw/zinc/31/61/99/1055316199.db2.gz BQSJDEDHHYQBPS-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914145 1055318160 /nfs/dbraw/zinc/31/81/60/1055318160.db2.gz RLOVJLYLVFALOU-KBPBESRZSA-N 2 2 303.837 4.289 20 0 DIADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1C ZINC001236918409 1055318214 /nfs/dbraw/zinc/31/82/14/1055318214.db2.gz BQSJDEDHHYQBPS-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1C ZINC001236918409 1055318233 /nfs/dbraw/zinc/31/82/33/1055318233.db2.gz BQSJDEDHHYQBPS-KGLIPLIRSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914146 1055318369 /nfs/dbraw/zinc/31/83/69/1055318369.db2.gz RLOVJLYLVFALOU-OKILXGFUSA-N 2 2 303.837 4.289 20 0 DIADLP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914146 1055318388 /nfs/dbraw/zinc/31/83/88/1055318388.db2.gz RLOVJLYLVFALOU-OKILXGFUSA-N 2 2 303.837 4.289 20 0 DIADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917230 1055318802 /nfs/dbraw/zinc/31/88/02/1055318802.db2.gz SBDCOYUDIKSNPV-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917230 1055318816 /nfs/dbraw/zinc/31/88/16/1055318816.db2.gz SBDCOYUDIKSNPV-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP CCOc1cccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000765249399 1055344710 /nfs/dbraw/zinc/34/47/10/1055344710.db2.gz IEXBYOSVMIMVLP-CRAIPNDOSA-N 2 2 315.461 4.047 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2ccccc2n1 ZINC000765253606 1055344760 /nfs/dbraw/zinc/34/47/60/1055344760.db2.gz GWRWWYXPPJAORT-DNVCBOLYSA-N 2 2 322.456 4.197 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000765249397 1055346077 /nfs/dbraw/zinc/34/60/77/1055346077.db2.gz HYYVNRSPLRVPJS-WBVHZDCISA-N 2 2 315.461 4.194 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237106849 1055372305 /nfs/dbraw/zinc/37/23/05/1055372305.db2.gz JYNIAAJGTPPHKS-FQEVSTJZSA-N 2 2 322.452 4.311 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237106849 1055372320 /nfs/dbraw/zinc/37/23/20/1055372320.db2.gz JYNIAAJGTPPHKS-FQEVSTJZSA-N 2 2 322.452 4.311 20 0 DIADLP Cc1cc(C)c(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1C ZINC001237309907 1055423419 /nfs/dbraw/zinc/42/34/19/1055423419.db2.gz BJKCHOCGXWDXPR-UHFFFAOYSA-N 2 2 320.480 4.206 20 0 DIADLP Cc1cc(C)c(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1C ZINC001237309907 1055423425 /nfs/dbraw/zinc/42/34/25/1055423425.db2.gz BJKCHOCGXWDXPR-UHFFFAOYSA-N 2 2 320.480 4.206 20 0 DIADLP c1ccc2c(c1)C[N@@H+](Cc1ccc(C3CC3)cc1)C21CC[NH2+]CC1 ZINC001237310621 1055424866 /nfs/dbraw/zinc/42/48/66/1055424866.db2.gz KFRCVIOIBHEQKQ-UHFFFAOYSA-N 2 2 318.464 4.159 20 0 DIADLP c1ccc2c(c1)C[N@H+](Cc1ccc(C3CC3)cc1)C21CC[NH2+]CC1 ZINC001237310621 1055424871 /nfs/dbraw/zinc/42/48/71/1055424871.db2.gz KFRCVIOIBHEQKQ-UHFFFAOYSA-N 2 2 318.464 4.159 20 0 DIADLP Cc1cc(F)cc(C)c1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001237327047 1055426521 /nfs/dbraw/zinc/42/65/21/1055426521.db2.gz XTZFJHGFONKNNG-UHFFFAOYSA-N 2 2 323.415 4.260 20 0 DIADLP Cc1cc(F)cc(C)c1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001237327047 1055426523 /nfs/dbraw/zinc/42/65/23/1055426523.db2.gz XTZFJHGFONKNNG-UHFFFAOYSA-N 2 2 323.415 4.260 20 0 DIADLP c1oc2ccccc2c1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237365628 1055441376 /nfs/dbraw/zinc/44/13/76/1055441376.db2.gz KBTHNKVETYRHBT-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001237366199 1055442789 /nfs/dbraw/zinc/44/27/89/1055442789.db2.gz OREJOZMNSOYQHZ-UHFFFAOYSA-N 2 2 318.464 4.159 20 0 DIADLP c1cc2cccc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)c2o1 ZINC001237376045 1055444375 /nfs/dbraw/zinc/44/43/75/1055444375.db2.gz OBLPUCLXTYQSFI-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC001620946203 1055561209 /nfs/dbraw/zinc/56/12/09/1055561209.db2.gz JAYGNZCPEHOMQR-SFHVURJKSA-N 2 2 308.897 4.249 20 0 DIADLP CCc1ccc([C@H](C[NH2+]CC2(C)CCC2)[NH+](CC)CC)cc1 ZINC001620954475 1055574606 /nfs/dbraw/zinc/57/46/06/1055574606.db2.gz VXJXOQBCOITWKP-IBGZPJMESA-N 2 2 302.506 4.412 20 0 DIADLP Clc1ccc(C2=CC[N@H+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238102491 1055606636 /nfs/dbraw/zinc/60/66/36/1055606636.db2.gz DHFPHXMMUZCTRY-UHFFFAOYSA-N 2 2 323.827 4.277 20 0 DIADLP Clc1ccc(C2=CC[N@@H+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238102491 1055606641 /nfs/dbraw/zinc/60/66/41/1055606641.db2.gz DHFPHXMMUZCTRY-UHFFFAOYSA-N 2 2 323.827 4.277 20 0 DIADLP Fc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112973 1055609210 /nfs/dbraw/zinc/60/92/10/1055609210.db2.gz GOMZJPSMBOYWGB-LJQANCHMSA-N 2 2 309.388 4.201 20 0 DIADLP Fc1ccccc1[C@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112973 1055609221 /nfs/dbraw/zinc/60/92/21/1055609221.db2.gz GOMZJPSMBOYWGB-LJQANCHMSA-N 2 2 309.388 4.201 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238548030 1055683219 /nfs/dbraw/zinc/68/32/19/1055683219.db2.gz HDKDLQCRJBWVGH-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001238548030 1055683224 /nfs/dbraw/zinc/68/32/24/1055683224.db2.gz HDKDLQCRJBWVGH-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP Fc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1-c1ccccc1 ZINC001238549947 1055684237 /nfs/dbraw/zinc/68/42/37/1055684237.db2.gz WASKFZJKDJAZST-UHFFFAOYSA-N 2 2 324.443 4.163 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2Cl)CC1 ZINC001238568000 1055688722 /nfs/dbraw/zinc/68/87/22/1055688722.db2.gz XRMHVZNTEKIDRJ-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2Cl)CC1 ZINC001238568000 1055688737 /nfs/dbraw/zinc/68/87/37/1055688737.db2.gz XRMHVZNTEKIDRJ-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001238566355 1055689217 /nfs/dbraw/zinc/68/92/17/1055689217.db2.gz LIXFEAKFSVTORF-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001238566355 1055689221 /nfs/dbraw/zinc/68/92/21/1055689221.db2.gz LIXFEAKFSVTORF-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472211 1055897976 /nfs/dbraw/zinc/89/79/76/1055897976.db2.gz XXEWPXYPSOOKKX-SFHVURJKSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472211 1055897981 /nfs/dbraw/zinc/89/79/81/1055897981.db2.gz XXEWPXYPSOOKKX-SFHVURJKSA-N 2 2 302.421 4.040 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001620784288 1055957697 /nfs/dbraw/zinc/95/76/97/1055957697.db2.gz BOCXJGHHXTUNAP-WOJBJXKFSA-N 2 2 302.506 4.424 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001620784288 1055957707 /nfs/dbraw/zinc/95/77/07/1055957707.db2.gz BOCXJGHHXTUNAP-WOJBJXKFSA-N 2 2 302.506 4.424 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC001620569709 1055966543 /nfs/dbraw/zinc/96/65/43/1055966543.db2.gz NRNREIURDDBWFO-DYESRHJHSA-N 2 2 317.436 4.455 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC001620569709 1055966551 /nfs/dbraw/zinc/96/65/51/1055966551.db2.gz NRNREIURDDBWFO-DYESRHJHSA-N 2 2 317.436 4.455 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001620793453 1055970936 /nfs/dbraw/zinc/97/09/36/1055970936.db2.gz VJPWZDNDJOZYNZ-MSOLQXFVSA-N 2 2 324.578 4.154 20 0 DIADLP C[C@H]1CCCC[C@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001620793455 1055971474 /nfs/dbraw/zinc/97/14/74/1055971474.db2.gz VJPWZDNDJOZYNZ-ROUUACIJSA-N 2 2 324.578 4.154 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001621007538 1055974875 /nfs/dbraw/zinc/97/48/75/1055974875.db2.gz FDCXJSIUILDFSO-SFHVURJKSA-N 2 2 320.908 4.453 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001621007538 1055974885 /nfs/dbraw/zinc/97/48/85/1055974885.db2.gz FDCXJSIUILDFSO-SFHVURJKSA-N 2 2 320.908 4.453 20 0 DIADLP Cc1scc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000399861983 1055976835 /nfs/dbraw/zinc/97/68/35/1055976835.db2.gz DNOBAVUMKWABPD-AWEZNQCLSA-N 2 2 311.454 4.401 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001620720547 1055984564 /nfs/dbraw/zinc/98/45/64/1055984564.db2.gz NLHMYELVLXGPDX-SSZFMOIBSA-N 2 2 306.881 4.065 20 0 DIADLP CC(C)c1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001168596272 1055990478 /nfs/dbraw/zinc/99/04/78/1055990478.db2.gz ICAZRNRWNGIQSW-HOCLYGCPSA-N 2 2 304.482 4.008 20 0 DIADLP COc1ccc(C(C)C)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239662442 1056011793 /nfs/dbraw/zinc/01/17/93/1056011793.db2.gz YVRKJBPPMFPOHQ-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(C(C)C)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239662442 1056011801 /nfs/dbraw/zinc/01/18/01/1056011801.db2.gz YVRKJBPPMFPOHQ-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316059 1056018619 /nfs/dbraw/zinc/01/86/19/1056018619.db2.gz WXNHQASTPOHACS-YOEHRIQHSA-N 2 2 303.475 4.334 20 0 DIADLP CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316059 1056018629 /nfs/dbraw/zinc/01/86/29/1056018629.db2.gz WXNHQASTPOHACS-YOEHRIQHSA-N 2 2 303.475 4.334 20 0 DIADLP Cn1c[nH+]cc1-c1cccc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240060697 1056298342 /nfs/dbraw/zinc/29/83/42/1056298342.db2.gz UNSZCQGJAUXJJS-UHFFFAOYSA-N 2 2 317.436 4.350 20 0 DIADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471790 1056318629 /nfs/dbraw/zinc/31/86/29/1056318629.db2.gz NUULCVPRIOIGEK-QVOMUQBLSA-N 2 2 320.443 4.065 20 0 DIADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471790 1056318645 /nfs/dbraw/zinc/31/86/45/1056318645.db2.gz NUULCVPRIOIGEK-QVOMUQBLSA-N 2 2 320.443 4.065 20 0 DIADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716747 1056342909 /nfs/dbraw/zinc/34/29/09/1056342909.db2.gz DIXUNHXWRKHNDB-PRLABOORSA-N 2 2 322.459 4.310 20 0 DIADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716748 1056343224 /nfs/dbraw/zinc/34/32/24/1056343224.db2.gz DIXUNHXWRKHNDB-SLTXQBBLSA-N 2 2 322.459 4.310 20 0 DIADLP CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001240373726 1056460475 /nfs/dbraw/zinc/46/04/75/1056460475.db2.gz PQFCRMCQDWOVPG-UHFFFAOYSA-N 2 2 319.452 4.487 20 0 DIADLP Cc1ccc(-c2ccn3cc[nH+]c3c2)c(C[NH+]2CCCCC2)c1 ZINC001240519156 1056548558 /nfs/dbraw/zinc/54/85/58/1056548558.db2.gz ZIMHNZLAKOIHDR-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4ccccc4c3)cc2)C1 ZINC001240910436 1056754722 /nfs/dbraw/zinc/75/47/22/1056754722.db2.gz AVWGIOXXYFAAIB-NRFANRHFSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4ccccc4c3)cc2)C1 ZINC001240910436 1056754730 /nfs/dbraw/zinc/75/47/30/1056754730.db2.gz AVWGIOXXYFAAIB-NRFANRHFSA-N 2 2 302.421 4.040 20 0 DIADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c2ccccc12 ZINC001241007329 1056811982 /nfs/dbraw/zinc/81/19/82/1056811982.db2.gz VQDPSCIZGFAVAM-IBGZPJMESA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c2ccccc12 ZINC001241007329 1056811988 /nfs/dbraw/zinc/81/19/88/1056811988.db2.gz VQDPSCIZGFAVAM-IBGZPJMESA-N 2 2 316.448 4.348 20 0 DIADLP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-c1cc[nH+]c(N)c1 ZINC001241176047 1056946452 /nfs/dbraw/zinc/94/64/52/1056946452.db2.gz RZGIUKWNDDJPNF-UHFFFAOYSA-N 2 2 323.362 4.191 20 0 DIADLP CCCCOc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001241269343 1056989176 /nfs/dbraw/zinc/98/91/76/1056989176.db2.gz KZRAHOJWDXPWMV-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001241269343 1056989184 /nfs/dbraw/zinc/98/91/84/1056989184.db2.gz KZRAHOJWDXPWMV-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001241269550 1056989411 /nfs/dbraw/zinc/98/94/11/1056989411.db2.gz VMIARWDEQFNVSR-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001241269550 1056989414 /nfs/dbraw/zinc/98/94/14/1056989414.db2.gz VMIARWDEQFNVSR-FQEVSTJZSA-N 2 2 324.468 4.066 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359946293 1057017031 /nfs/dbraw/zinc/01/70/31/1057017031.db2.gz ZCNQQBXFKJBUNE-ARFHVFGLSA-N 2 2 322.905 4.093 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359946293 1057017036 /nfs/dbraw/zinc/01/70/36/1057017036.db2.gz ZCNQQBXFKJBUNE-ARFHVFGLSA-N 2 2 322.905 4.093 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc2ccccc21)c1cccnc1 ZINC000922628226 1057042311 /nfs/dbraw/zinc/04/23/11/1057042311.db2.gz CXEAFHWBSQZEGR-OAQYLSRUSA-N 2 2 319.452 4.017 20 0 DIADLP CC[NH+](CC)Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001241581433 1057096591 /nfs/dbraw/zinc/09/65/91/1057096591.db2.gz XECOCQXOCYNVEY-UHFFFAOYSA-N 2 2 319.452 4.440 20 0 DIADLP CC(C)CCn1cccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000161775215 1057103363 /nfs/dbraw/zinc/10/33/63/1057103363.db2.gz LKVHNUDEKRGNLM-UHFFFAOYSA-N 2 2 322.456 4.010 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c4ccccc43)cc2)C1 ZINC001241904699 1057206420 /nfs/dbraw/zinc/20/64/20/1057206420.db2.gz ZQVSAVSSVGRCCI-QGZVFWFLSA-N 2 2 320.411 4.179 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c4ccccc43)cc2)C1 ZINC001241904699 1057206426 /nfs/dbraw/zinc/20/64/26/1057206426.db2.gz ZQVSAVSSVGRCCI-QGZVFWFLSA-N 2 2 320.411 4.179 20 0 DIADLP c1cn(-c2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2)c[nH+]1 ZINC001242118065 1057268213 /nfs/dbraw/zinc/26/82/13/1057268213.db2.gz CKNBLNGHHSITQC-UHFFFAOYSA-N 2 2 303.409 4.135 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)cc2)c[nH+]1 ZINC000675533273 1057385511 /nfs/dbraw/zinc/38/55/11/1057385511.db2.gz VVSNOJSKUVNBRO-CEXWTWQISA-N 2 2 309.457 4.321 20 0 DIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000675763908 1057410493 /nfs/dbraw/zinc/41/04/93/1057410493.db2.gz WBVOBYNGAXGARX-HNNXBMFYSA-N 2 2 324.255 4.247 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920236 1057431087 /nfs/dbraw/zinc/43/10/87/1057431087.db2.gz JQNYZTONCAFUDF-IEBWSBKVSA-N 2 2 311.473 4.428 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000525987455 1057657424 /nfs/dbraw/zinc/65/74/24/1057657424.db2.gz FDERGKPNUKPHDC-NFOMZHRRSA-N 2 2 317.399 4.010 20 0 DIADLP Cc1cn2c(cccc2-c2ccc(C3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001243652865 1057744428 /nfs/dbraw/zinc/74/44/28/1057744428.db2.gz RRMCYECFZSCEOA-UHFFFAOYSA-N 2 2 305.425 4.119 20 0 DIADLP Cc1cc2[nH+]ccn2cc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243655320 1057745068 /nfs/dbraw/zinc/74/50/68/1057745068.db2.gz WQEHLMHSUNHDDD-UHFFFAOYSA-N 2 2 305.425 4.119 20 0 DIADLP Fc1cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[C@@H]1CCC[NH2+]1 ZINC001243977916 1057827005 /nfs/dbraw/zinc/82/70/05/1057827005.db2.gz BBYIXSDLCIACRP-SFHVURJKSA-N 2 2 307.372 4.307 20 0 DIADLP Cc1c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cccc1C1CC1 ZINC001244131461 1057880856 /nfs/dbraw/zinc/88/08/56/1057880856.db2.gz AWJIBMVOSVKBQI-SFHVURJKSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cccc1C1CC1 ZINC001244131461 1057880859 /nfs/dbraw/zinc/88/08/59/1057880859.db2.gz AWJIBMVOSVKBQI-SFHVURJKSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cccc1C1CC1 ZINC001244133003 1057882083 /nfs/dbraw/zinc/88/20/83/1057882083.db2.gz QNFDNQQPXVDGMM-IBGZPJMESA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cccc1C1CC1 ZINC001244133003 1057882091 /nfs/dbraw/zinc/88/20/91/1057882091.db2.gz QNFDNQQPXVDGMM-IBGZPJMESA-N 2 2 306.453 4.072 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3sccc3c2)C1 ZINC001244298741 1057926680 /nfs/dbraw/zinc/92/66/80/1057926680.db2.gz SQASJHPJVLMGET-KRWDZBQOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3sccc3c2)C1 ZINC001244298741 1057926683 /nfs/dbraw/zinc/92/66/83/1057926683.db2.gz SQASJHPJVLMGET-KRWDZBQOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C4CCC4)cc3)cc2)C1 ZINC001244944475 1058077884 /nfs/dbraw/zinc/07/78/84/1058077884.db2.gz PIJFYPYFINZLKC-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C4CCC4)cc3)cc2)C1 ZINC001244944475 1058077888 /nfs/dbraw/zinc/07/78/88/1058077888.db2.gz PIJFYPYFINZLKC-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC001245198507 1058126908 /nfs/dbraw/zinc/12/69/08/1058126908.db2.gz ITNPLIVRBKKGGT-FQEVSTJZSA-N 2 2 317.436 4.065 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccccc1C1CC[NH2+]CC1 ZINC001245201880 1058127501 /nfs/dbraw/zinc/12/75/01/1058127501.db2.gz RUJSNCYQHUDHLR-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP Cn1c[nH+]cc1-c1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC001245525197 1058200176 /nfs/dbraw/zinc/20/01/76/1058200176.db2.gz DKJYULKEDBEOLE-UHFFFAOYSA-N 2 2 317.436 4.221 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)c1Cl ZINC001245826594 1058520999 /nfs/dbraw/zinc/52/09/99/1058520999.db2.gz MRNVKZLNTSHVTC-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)c1Cl ZINC001245826594 1058521028 /nfs/dbraw/zinc/52/10/28/1058521028.db2.gz MRNVKZLNTSHVTC-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246073847 1058663930 /nfs/dbraw/zinc/66/39/30/1058663930.db2.gz AIFWJZSOYZUPIJ-YVEFUNNKSA-N 2 2 323.267 4.214 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246078808 1058671303 /nfs/dbraw/zinc/67/13/03/1058671303.db2.gz XDCBUTWSWGPACC-DYVFJYSZSA-N 2 2 320.889 4.110 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+][C@H]3c3ccccc3)C2)cc1 ZINC001246141400 1058695706 /nfs/dbraw/zinc/69/57/06/1058695706.db2.gz KQHIHNHPPPGVEU-NCYKPQTJSA-N 2 2 306.453 4.016 20 0 DIADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001246145419 1058696802 /nfs/dbraw/zinc/69/68/02/1058696802.db2.gz WSMFEWBLMZRJCF-CBPXPLCBSA-N 2 2 320.480 4.406 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2c(Cl)ccc(C)c2F)C[C@H](CC)[NH2+]1 ZINC001246157888 1058702130 /nfs/dbraw/zinc/70/21/30/1058702130.db2.gz CPPFUBNSTQIZGO-STQMWFEESA-N 2 2 312.860 4.186 20 0 DIADLP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1Cl ZINC001246159220 1058703302 /nfs/dbraw/zinc/70/33/02/1058703302.db2.gz NZEYCZDMYAFHDV-WFASDCNBSA-N 2 2 312.860 4.044 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1F ZINC001246157443 1058703722 /nfs/dbraw/zinc/70/37/22/1058703722.db2.gz BCUJZFLSOAXHOM-SWLSCSKDSA-N 2 2 312.860 4.044 20 0 DIADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246161030 1058707803 /nfs/dbraw/zinc/70/78/03/1058707803.db2.gz QNHVXMZEEMJPMD-HNNXBMFYSA-N 2 2 310.844 4.024 20 0 DIADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170792 1058713647 /nfs/dbraw/zinc/71/36/47/1058713647.db2.gz NBMJYQADIHIBEJ-FUHWJXTLSA-N 2 2 318.823 4.062 20 0 DIADLP CC[C@@H]1CC([NH2+][C@H](c2ccccc2)c2ccncc2)C[C@@H](CC)[NH2+]1 ZINC001246179704 1058722064 /nfs/dbraw/zinc/72/20/64/1058722064.db2.gz RHYQMVDEFRIPIN-SFHLNBCPSA-N 2 2 323.484 4.070 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2(F)CCCCC2)CC[NH2+]1 ZINC001246187836 1058731597 /nfs/dbraw/zinc/73/15/97/1058731597.db2.gz XGAZWAFZGCVJKQ-FUHWJXTLSA-N 2 2 322.443 4.189 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@H](CC)[NH2+]1 ZINC001246224758 1058750474 /nfs/dbraw/zinc/75/04/74/1058750474.db2.gz IWRNYVMUAHMRSN-RYUDHWBXSA-N 2 2 316.823 4.017 20 0 DIADLP C[C@@H]1CC([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)C[C@@H](C)[NH2+]1 ZINC001246253390 1058770469 /nfs/dbraw/zinc/77/04/69/1058770469.db2.gz LMMRXCGQKVZPGH-GHMZBOCLSA-N 2 2 313.272 4.101 20 0 DIADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246252273 1058770792 /nfs/dbraw/zinc/77/07/92/1058770792.db2.gz HFNWFIXMSONFRQ-YWPYICTPSA-N 2 2 315.288 4.421 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001246260669 1058781124 /nfs/dbraw/zinc/78/11/24/1058781124.db2.gz JKTYTJNCTHELFX-UPRAQXHNSA-N 2 2 316.395 4.109 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246271961 1058786292 /nfs/dbraw/zinc/78/62/92/1058786292.db2.gz YBIMRTAMVHTJLU-STQMWFEESA-N 2 2 316.823 4.019 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246271960 1058788996 /nfs/dbraw/zinc/78/89/96/1058788996.db2.gz YBIMRTAMVHTJLU-QWHCGFSZSA-N 2 2 316.823 4.019 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001246279573 1058793247 /nfs/dbraw/zinc/79/32/47/1058793247.db2.gz MXCBHBHIAYFNSJ-YVEFUNNKSA-N 2 2 323.267 4.214 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001246279562 1058794384 /nfs/dbraw/zinc/79/43/84/1058794384.db2.gz MPEJOYLFEKHUFA-DYVFJYSZSA-N 2 2 320.889 4.110 20 0 DIADLP [NH3+][C@H](C[NH2+]C1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC001246281129 1058798135 /nfs/dbraw/zinc/79/81/35/1058798135.db2.gz ZULOZOGZJQTIIK-NJEKYYFSSA-N 2 2 320.480 4.103 20 0 DIADLP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246322289 1058833074 /nfs/dbraw/zinc/83/30/74/1058833074.db2.gz HFNWFIXMSONFRQ-LALPHHSUSA-N 2 2 315.288 4.421 20 0 DIADLP c1ccc2c(c1)Oc1ccccc1C2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246327557 1058838930 /nfs/dbraw/zinc/83/89/30/1058838930.db2.gz SSDOYXNKCSELBB-HNNXBMFYSA-N 2 2 320.436 4.146 20 0 DIADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccccc2)cc1 ZINC001246340960 1058847269 /nfs/dbraw/zinc/84/72/69/1058847269.db2.gz WDMMVKIOILTSHL-SFTDATJTSA-N 2 2 308.469 4.011 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246347441 1058857876 /nfs/dbraw/zinc/85/78/76/1058857876.db2.gz HDPUCBKESOGGII-KKUMJFAQSA-N 2 2 310.432 4.235 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SC(F)(F)F)cc1 ZINC001246488222 1058967858 /nfs/dbraw/zinc/96/78/58/1058967858.db2.gz JGNLJVPPUWCETN-WZRBSPASSA-N 2 2 318.408 4.090 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(F)c1Cl ZINC001246492529 1058971457 /nfs/dbraw/zinc/97/14/57/1058971457.db2.gz VYGWZFARHFKLFC-XUJVJEKNSA-N 2 2 312.860 4.296 20 0 DIADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536177 1058988352 /nfs/dbraw/zinc/98/83/52/1058988352.db2.gz CRLHWSJBCLXAKP-ZWKOTPCHSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536177 1058988370 /nfs/dbraw/zinc/98/83/70/1058988370.db2.gz CRLHWSJBCLXAKP-ZWKOTPCHSA-N 2 2 306.881 4.009 20 0 DIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246609785 1059025740 /nfs/dbraw/zinc/02/57/40/1059025740.db2.gz JSNALQUBPNOBQQ-AWEZNQCLSA-N 2 2 324.871 4.018 20 0 DIADLP C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C[NH2+]1 ZINC001246789596 1059089912 /nfs/dbraw/zinc/08/99/12/1059089912.db2.gz CMWULEIXJDGEKK-IIBYNOLFSA-N 2 2 308.469 4.160 20 0 DIADLP C[N@H+](Cc1cccc(Cl)c1Cl)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246809910 1059105505 /nfs/dbraw/zinc/10/55/05/1059105505.db2.gz JNSUQCFSAOGQFG-CYBMUJFWSA-N 2 2 313.272 4.100 20 0 DIADLP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246809910 1059105516 /nfs/dbraw/zinc/10/55/16/1059105516.db2.gz JNSUQCFSAOGQFG-CYBMUJFWSA-N 2 2 313.272 4.100 20 0 DIADLP C[N@H+](C/C=C/c1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846093 1059122995 /nfs/dbraw/zinc/12/29/95/1059122995.db2.gz PBFHXCPZZPRLSC-AZHXHMFBSA-N 2 2 306.453 4.125 20 0 DIADLP C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846093 1059123004 /nfs/dbraw/zinc/12/30/04/1059123004.db2.gz PBFHXCPZZPRLSC-AZHXHMFBSA-N 2 2 306.453 4.125 20 0 DIADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845427 1059123678 /nfs/dbraw/zinc/12/36/78/1059123678.db2.gz GACSDNPCDODOJO-JKSUJKDBSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845427 1059123690 /nfs/dbraw/zinc/12/36/90/1059123690.db2.gz GACSDNPCDODOJO-JKSUJKDBSA-N 2 2 306.881 4.009 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246848803 1059129120 /nfs/dbraw/zinc/12/91/20/1059129120.db2.gz OHYOCDHLNVRCLC-FPOVZHCZSA-N 2 2 324.443 4.027 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246848804 1059129540 /nfs/dbraw/zinc/12/95/40/1059129540.db2.gz OHYOCDHLNVRCLC-PZJWPPBQSA-N 2 2 324.443 4.027 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246903821 1059163334 /nfs/dbraw/zinc/16/33/34/1059163334.db2.gz BXMBTVWWCQVYMZ-CZUORRHYSA-N 2 2 324.921 4.037 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246903821 1059163360 /nfs/dbraw/zinc/16/33/60/1059163360.db2.gz BXMBTVWWCQVYMZ-CZUORRHYSA-N 2 2 324.921 4.037 20 0 DIADLP CC[C@@H]1CC([N@H+](CC)Cc2cccc(F)c2F)C[C@@H](CC)[NH2+]1 ZINC001246906745 1059166641 /nfs/dbraw/zinc/16/66/41/1059166641.db2.gz GKZBCKQNZRYDBK-HUUCEWRRSA-N 2 2 310.432 4.096 20 0 DIADLP CC[C@@H]1CC([N@@H+](CC)Cc2cccc(F)c2F)C[C@@H](CC)[NH2+]1 ZINC001246906745 1059166653 /nfs/dbraw/zinc/16/66/53/1059166653.db2.gz GKZBCKQNZRYDBK-HUUCEWRRSA-N 2 2 310.432 4.096 20 0 DIADLP CC[C@@H]1C[C@@H]([N@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911112 1059171535 /nfs/dbraw/zinc/17/15/35/1059171535.db2.gz NKQNTJJGENFMNR-CABCVRRESA-N 2 2 315.288 4.346 20 0 DIADLP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911112 1059171542 /nfs/dbraw/zinc/17/15/42/1059171542.db2.gz NKQNTJJGENFMNR-CABCVRRESA-N 2 2 315.288 4.346 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246913888 1059174124 /nfs/dbraw/zinc/17/41/24/1059174124.db2.gz XHXXQBLAYHLAFS-QDMKHBRRSA-N 2 2 313.272 4.098 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246913888 1059174134 /nfs/dbraw/zinc/17/41/34/1059174134.db2.gz XHXXQBLAYHLAFS-QDMKHBRRSA-N 2 2 313.272 4.098 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246913887 1059175597 /nfs/dbraw/zinc/17/55/97/1059175597.db2.gz XHXXQBLAYHLAFS-FICVDOATSA-N 2 2 313.272 4.098 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246913887 1059175617 /nfs/dbraw/zinc/17/56/17/1059175617.db2.gz XHXXQBLAYHLAFS-FICVDOATSA-N 2 2 313.272 4.098 20 0 DIADLP CCCCC[C@H](CCC)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964186 1059205960 /nfs/dbraw/zinc/20/59/60/1059205960.db2.gz QSOULBFYIDLOJN-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@H](CCC)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964186 1059205975 /nfs/dbraw/zinc/20/59/75/1059205975.db2.gz QSOULBFYIDLOJN-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCC[C@H](CC(C)C)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964258 1059210824 /nfs/dbraw/zinc/21/08/24/1059210824.db2.gz RPMROWKFLWYQFR-UXHICEINSA-N 2 2 317.521 4.241 20 0 DIADLP CCCC[C@H](CC(C)C)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964258 1059210842 /nfs/dbraw/zinc/21/08/42/1059210842.db2.gz RPMROWKFLWYQFR-UXHICEINSA-N 2 2 317.521 4.241 20 0 DIADLP C[C@@H]1CC[C@@H]([NH+]2CCC(c3csc4ccccc34)CC2)C[NH2+]1 ZINC001246978931 1059224690 /nfs/dbraw/zinc/22/46/90/1059224690.db2.gz KPMIHNUVRHFKJX-GDBMZVCRSA-N 2 2 314.498 4.221 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981530 1059225666 /nfs/dbraw/zinc/22/56/66/1059225666.db2.gz WOZRFUONGPIFCK-HLAWJBBLSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981530 1059225686 /nfs/dbraw/zinc/22/56/86/1059225686.db2.gz WOZRFUONGPIFCK-HLAWJBBLSA-N 2 2 312.501 4.319 20 0 DIADLP C[C@H]1CC[C@H]([NH+]2CCC(c3csc4ccccc34)CC2)C[NH2+]1 ZINC001246978933 1059225733 /nfs/dbraw/zinc/22/57/33/1059225733.db2.gz KPMIHNUVRHFKJX-HOCLYGCPSA-N 2 2 314.498 4.221 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981531 1059229936 /nfs/dbraw/zinc/22/99/36/1059229936.db2.gz WOZRFUONGPIFCK-HMXCVIKNSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981531 1059229956 /nfs/dbraw/zinc/22/99/56/1059229956.db2.gz WOZRFUONGPIFCK-HMXCVIKNSA-N 2 2 312.501 4.319 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC001559645388 1059473365 /nfs/dbraw/zinc/47/33/65/1059473365.db2.gz FTKIHFBBGMDQOD-UXHICEINSA-N 2 2 300.490 4.380 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC001559645388 1059473371 /nfs/dbraw/zinc/47/33/71/1059473371.db2.gz FTKIHFBBGMDQOD-UXHICEINSA-N 2 2 300.490 4.380 20 0 DIADLP Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001559724269 1059556877 /nfs/dbraw/zinc/55/68/77/1059556877.db2.gz SZZSBJSDQAAYHA-HZPDHXFCSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001559724269 1059556896 /nfs/dbraw/zinc/55/68/96/1059556896.db2.gz SZZSBJSDQAAYHA-HZPDHXFCSA-N 2 2 314.395 4.062 20 0 DIADLP FCc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001559744187 1059579123 /nfs/dbraw/zinc/57/91/23/1059579123.db2.gz FAQONLLLMYECNL-UHFFFAOYSA-N 2 2 315.436 4.045 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001560091833 1059902932 /nfs/dbraw/zinc/90/29/32/1059902932.db2.gz PYLLANDUXNRWQA-QRVBRYPASA-N 2 2 300.490 4.033 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001560091833 1059902954 /nfs/dbraw/zinc/90/29/54/1059902954.db2.gz PYLLANDUXNRWQA-QRVBRYPASA-N 2 2 300.490 4.033 20 0 DIADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117757 1059920830 /nfs/dbraw/zinc/92/08/30/1059920830.db2.gz GUWLIOIWVBOPEJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117757 1059920850 /nfs/dbraw/zinc/92/08/50/1059920850.db2.gz GUWLIOIWVBOPEJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117757 1059920872 /nfs/dbraw/zinc/92/08/72/1059920872.db2.gz GUWLIOIWVBOPEJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117757 1059920889 /nfs/dbraw/zinc/92/08/89/1059920889.db2.gz GUWLIOIWVBOPEJ-RTWAWAEBSA-N 2 2 312.501 4.403 20 0 DIADLP Cc1ccc(C[N@H+](CCCC(C)C)CCCn2cc[nH+]c2)o1 ZINC001560142897 1059945958 /nfs/dbraw/zinc/94/59/58/1059945958.db2.gz HWECTSWHZYOCRH-UHFFFAOYSA-N 2 2 303.450 4.113 20 0 DIADLP Cc1ccc(C[N@@H+](CCCC(C)C)CCCn2cc[nH+]c2)o1 ZINC001560142897 1059945980 /nfs/dbraw/zinc/94/59/80/1059945980.db2.gz HWECTSWHZYOCRH-UHFFFAOYSA-N 2 2 303.450 4.113 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)Cc1ccccc1 ZINC001560261934 1060030069 /nfs/dbraw/zinc/03/00/69/1060030069.db2.gz XYANPGGSWFKPNV-YSIASYRMSA-N 2 2 316.533 4.354 20 0 DIADLP CCC1CCC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001560319491 1060107919 /nfs/dbraw/zinc/10/79/19/1060107919.db2.gz JAYQRUODNRRBRY-UHFFFAOYSA-N 2 2 303.475 4.240 20 0 DIADLP FC(F)(F)c1c[nH+]ccc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001249585071 1060300940 /nfs/dbraw/zinc/30/09/40/1060300940.db2.gz WOGXVGHTXXFRIT-UHFFFAOYSA-N 2 2 315.298 4.328 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC001560541630 1060349082 /nfs/dbraw/zinc/34/90/82/1060349082.db2.gz CDVOFXQOAVCUNK-WCIQWLHISA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001560541630 1060349095 /nfs/dbraw/zinc/34/90/95/1060349095.db2.gz CDVOFXQOAVCUNK-WCIQWLHISA-N 2 2 312.501 4.065 20 0 DIADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC001560553434 1060364812 /nfs/dbraw/zinc/36/48/12/1060364812.db2.gz GHXQYYPRYFPPFJ-CQSZACIVSA-N 2 2 313.272 4.100 20 0 DIADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC001560553434 1060364827 /nfs/dbraw/zinc/36/48/27/1060364827.db2.gz GHXQYYPRYFPPFJ-CQSZACIVSA-N 2 2 313.272 4.100 20 0 DIADLP Cc1coc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001560629113 1060441696 /nfs/dbraw/zinc/44/16/96/1060441696.db2.gz FRSFRIFEOGTJJV-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1coc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001560629113 1060441700 /nfs/dbraw/zinc/44/17/00/1060441700.db2.gz FRSFRIFEOGTJJV-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1coc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC001560629113 1060441703 /nfs/dbraw/zinc/44/17/03/1060441703.db2.gz FRSFRIFEOGTJJV-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1coc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001560629113 1060441704 /nfs/dbraw/zinc/44/17/04/1060441704.db2.gz FRSFRIFEOGTJJV-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644095 1060464284 /nfs/dbraw/zinc/46/42/84/1060464284.db2.gz HTCKFMRCHZILTO-ANULTFPQSA-N 2 2 312.501 4.055 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644095 1060464293 /nfs/dbraw/zinc/46/42/93/1060464293.db2.gz HTCKFMRCHZILTO-ANULTFPQSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644095 1060464298 /nfs/dbraw/zinc/46/42/98/1060464298.db2.gz HTCKFMRCHZILTO-ANULTFPQSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001560644095 1060464310 /nfs/dbraw/zinc/46/43/10/1060464310.db2.gz HTCKFMRCHZILTO-ANULTFPQSA-N 2 2 312.501 4.055 20 0 DIADLP C[C@H]1C[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccsc2S1 ZINC001560683354 1060525340 /nfs/dbraw/zinc/52/53/40/1060525340.db2.gz UXTMACPSMWTMIL-FZMZJTMJSA-N 2 2 319.499 4.276 20 0 DIADLP Fc1ccc(CC[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001560784938 1060648019 /nfs/dbraw/zinc/64/80/19/1060648019.db2.gz YYZNXZWIULMNCE-UHFFFAOYSA-N 2 2 318.480 4.004 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001560806635 1060665999 /nfs/dbraw/zinc/66/59/99/1060665999.db2.gz XRMHWHIIEIQGFB-IEBWSBKVSA-N 2 2 316.533 4.453 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001560806635 1060666007 /nfs/dbraw/zinc/66/60/07/1060666007.db2.gz XRMHWHIIEIQGFB-IEBWSBKVSA-N 2 2 316.533 4.453 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)cc2OCC)CC1 ZINC001250185868 1060666304 /nfs/dbraw/zinc/66/63/04/1060666304.db2.gz BVKFLHRAXDHVMV-UHFFFAOYSA-N 2 2 318.505 4.090 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2OCC)CC1 ZINC001250185868 1060666317 /nfs/dbraw/zinc/66/63/17/1060666317.db2.gz BVKFLHRAXDHVMV-UHFFFAOYSA-N 2 2 318.505 4.090 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001560807337 1060668094 /nfs/dbraw/zinc/66/80/94/1060668094.db2.gz BWBCAOVSUBAZCL-ICSRJNTNSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001560807337 1060668110 /nfs/dbraw/zinc/66/81/10/1060668110.db2.gz BWBCAOVSUBAZCL-ICSRJNTNSA-N 2 2 300.490 4.004 20 0 DIADLP CCCCO[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1(C)C ZINC001560844736 1060700198 /nfs/dbraw/zinc/70/01/98/1060700198.db2.gz AJQIPCAMFZFDAA-FHWLQOOXSA-N 2 2 324.553 4.070 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001560852871 1060711267 /nfs/dbraw/zinc/71/12/67/1060711267.db2.gz UMOLNYKVKXRVRD-WMLDXEAASA-N 2 2 317.864 4.440 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+](Cc2ccccc2)C1 ZINC001560855840 1060713881 /nfs/dbraw/zinc/71/38/81/1060713881.db2.gz DNHARTJRQODMOY-WQUXRXDGSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC001560855840 1060713893 /nfs/dbraw/zinc/71/38/93/1060713893.db2.gz DNHARTJRQODMOY-WQUXRXDGSA-N 2 2 314.517 4.311 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001560882247 1060742599 /nfs/dbraw/zinc/74/25/99/1060742599.db2.gz FTCITQGOXYGBCP-ZWKOTPCHSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001560882247 1060742612 /nfs/dbraw/zinc/74/26/12/1060742612.db2.gz FTCITQGOXYGBCP-ZWKOTPCHSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC001560882277 1060743694 /nfs/dbraw/zinc/74/36/94/1060743694.db2.gz GRUISECYONONRA-WMZOPIPTSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC001560882277 1060743703 /nfs/dbraw/zinc/74/37/03/1060743703.db2.gz GRUISECYONONRA-WMZOPIPTSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001560882244 1060744372 /nfs/dbraw/zinc/74/43/72/1060744372.db2.gz FTCITQGOXYGBCP-MSOLQXFVSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001560882244 1060744391 /nfs/dbraw/zinc/74/43/91/1060744391.db2.gz FTCITQGOXYGBCP-MSOLQXFVSA-N 2 2 320.908 4.440 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945354 1060811730 /nfs/dbraw/zinc/81/17/30/1060811730.db2.gz XZAVMNMDYBFJTJ-SZMVWBNQSA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945354 1060811750 /nfs/dbraw/zinc/81/17/50/1060811750.db2.gz XZAVMNMDYBFJTJ-SZMVWBNQSA-N 2 2 306.881 4.050 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001560961625 1060827752 /nfs/dbraw/zinc/82/77/52/1060827752.db2.gz RRJRLUFHLRKJAK-AZUAARDMSA-N 2 2 300.490 4.004 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001560961625 1060827769 /nfs/dbraw/zinc/82/77/69/1060827769.db2.gz RRJRLUFHLRKJAK-AZUAARDMSA-N 2 2 300.490 4.004 20 0 DIADLP c1cn(C[C@@H]([NH2+]C2CCC3(CCC3)CC2)c2ccccc2)c[nH+]1 ZINC001560984287 1060847116 /nfs/dbraw/zinc/84/71/16/1060847116.db2.gz VJNBUGVLJGYNHW-LJQANCHMSA-N 2 2 309.457 4.327 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c[nH+]c1C ZINC001560986229 1060849491 /nfs/dbraw/zinc/84/94/91/1060849491.db2.gz ZSKAIFCAIHAHNB-AUUYWEPGSA-N 2 2 301.478 4.153 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001560985626 1060850121 /nfs/dbraw/zinc/85/01/21/1060850121.db2.gz GSZFLWOPUAFHLI-XLIONFOSSA-N 2 2 315.505 4.065 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001560985626 1060850123 /nfs/dbraw/zinc/85/01/23/1060850123.db2.gz GSZFLWOPUAFHLI-XLIONFOSSA-N 2 2 315.505 4.065 20 0 DIADLP C[C@H]1CCC[C@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462145300 1060966482 /nfs/dbraw/zinc/96/64/82/1060966482.db2.gz GZONEYZIQCLJGX-OALUTQOASA-N 2 2 306.538 4.449 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001462189951 1061012459 /nfs/dbraw/zinc/01/24/59/1061012459.db2.gz LABQRTBCABUUHH-HNNXBMFYSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001462189951 1061012480 /nfs/dbraw/zinc/01/24/80/1061012480.db2.gz LABQRTBCABUUHH-HNNXBMFYSA-N 2 2 324.871 4.018 20 0 DIADLP CCCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCC1 ZINC001462198141 1061019809 /nfs/dbraw/zinc/01/98/09/1061019809.db2.gz FLPGVEYXYNWMCR-KRWDZBQOSA-N 2 2 303.475 4.382 20 0 DIADLP CCCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCC1 ZINC001462198143 1061022240 /nfs/dbraw/zinc/02/22/40/1061022240.db2.gz FLPGVEYXYNWMCR-QGZVFWFLSA-N 2 2 303.475 4.382 20 0 DIADLP CC[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)c1ccccc1 ZINC001473314794 1061079743 /nfs/dbraw/zinc/07/97/43/1061079743.db2.gz OGCFUNMQHCKNAL-NSHGMRRFSA-N 2 2 316.533 4.310 20 0 DIADLP CC[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)c1ccccc1 ZINC001473314794 1061079755 /nfs/dbraw/zinc/07/97/55/1061079755.db2.gz OGCFUNMQHCKNAL-NSHGMRRFSA-N 2 2 316.533 4.310 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462338181 1061115905 /nfs/dbraw/zinc/11/59/05/1061115905.db2.gz HURHGZXNCBLZFQ-VBSBHUPXSA-N 2 2 316.464 4.225 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462338181 1061115909 /nfs/dbraw/zinc/11/59/09/1061115909.db2.gz HURHGZXNCBLZFQ-VBSBHUPXSA-N 2 2 316.464 4.225 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)c2ccccc21 ZINC001473411590 1061145968 /nfs/dbraw/zinc/14/59/68/1061145968.db2.gz DWKCGJZBDBEQPV-ZIAGYGMSSA-N 2 2 302.849 4.238 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)c2ccccc21 ZINC001473411590 1061145974 /nfs/dbraw/zinc/14/59/74/1061145974.db2.gz DWKCGJZBDBEQPV-ZIAGYGMSSA-N 2 2 302.849 4.238 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC001462428415 1061168021 /nfs/dbraw/zinc/16/80/21/1061168021.db2.gz LXSSKPQLEMBREU-JBACZVJFSA-N 2 2 314.517 4.423 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001462430400 1061169452 /nfs/dbraw/zinc/16/94/52/1061169452.db2.gz SVTSPIUIBOLLIJ-UYAOXDASSA-N 2 2 302.506 4.108 20 0 DIADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462431976 1061169820 /nfs/dbraw/zinc/16/98/20/1061169820.db2.gz WNACMWFLEPMXAJ-WBVHZDCISA-N 2 2 320.546 4.192 20 0 DIADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462431976 1061169827 /nfs/dbraw/zinc/16/98/27/1061169827.db2.gz WNACMWFLEPMXAJ-WBVHZDCISA-N 2 2 320.546 4.192 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001462518980 1061227807 /nfs/dbraw/zinc/22/78/07/1061227807.db2.gz OXEDKUFGGKHVSC-XLIONFOSSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001462518980 1061227828 /nfs/dbraw/zinc/22/78/28/1061227828.db2.gz OXEDKUFGGKHVSC-XLIONFOSSA-N 2 2 300.490 4.209 20 0 DIADLP CC(C)CCCC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001462534360 1061244121 /nfs/dbraw/zinc/24/41/21/1061244121.db2.gz FUJSUAGDCIFLHD-FQEVSTJZSA-N 2 2 315.505 4.209 20 0 DIADLP CC(C)CCCC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001462534360 1061244142 /nfs/dbraw/zinc/24/41/42/1061244142.db2.gz FUJSUAGDCIFLHD-FQEVSTJZSA-N 2 2 315.505 4.209 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)C1CCC(C)CC1 ZINC001473605185 1061283031 /nfs/dbraw/zinc/28/30/31/1061283031.db2.gz DYMBXPGOUJPARX-OUNSHVDWSA-N 2 2 311.473 4.349 20 0 DIADLP C[C@H]1CC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623530 1061304533 /nfs/dbraw/zinc/30/45/33/1061304533.db2.gz NJCYVCDNSITSMD-GUGJDKNPSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@H]1CC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623530 1061304544 /nfs/dbraw/zinc/30/45/44/1061304544.db2.gz NJCYVCDNSITSMD-GUGJDKNPSA-N 2 2 320.480 4.043 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001462673237 1061330623 /nfs/dbraw/zinc/33/06/23/1061330623.db2.gz LLSBSOJOJNPNGM-ZDUSSCGKSA-N 2 2 308.853 4.296 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001473898237 1061452190 /nfs/dbraw/zinc/45/21/90/1061452190.db2.gz VODBPAPCFXTEKO-KRWDZBQOSA-N 2 2 303.494 4.398 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001473898237 1061452192 /nfs/dbraw/zinc/45/21/92/1061452192.db2.gz VODBPAPCFXTEKO-KRWDZBQOSA-N 2 2 303.494 4.398 20 0 DIADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001473900856 1061452515 /nfs/dbraw/zinc/45/25/15/1061452515.db2.gz HAOHKHHXCUPCDK-LZQZEXGQSA-N 2 2 318.892 4.209 20 0 DIADLP C[C@H](c1cccc(Cl)c1)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001473900856 1061452535 /nfs/dbraw/zinc/45/25/35/1061452535.db2.gz HAOHKHHXCUPCDK-LZQZEXGQSA-N 2 2 318.892 4.209 20 0 DIADLP CS[C@@H]1CCC[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001473909363 1061457732 /nfs/dbraw/zinc/45/77/32/1061457732.db2.gz YITPRYJUFYLXRR-IPMKNSEASA-N 2 2 318.530 4.087 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001473910634 1061458891 /nfs/dbraw/zinc/45/88/91/1061458891.db2.gz VZMHLLADXADPFH-HXUWFJFHSA-N 2 2 308.469 4.138 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001473910634 1061458899 /nfs/dbraw/zinc/45/88/99/1061458899.db2.gz VZMHLLADXADPFH-HXUWFJFHSA-N 2 2 308.469 4.138 20 0 DIADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001473913131 1061461753 /nfs/dbraw/zinc/46/17/53/1061461753.db2.gz JDKMPFZBDNBETN-ZCNNSNEGSA-N 2 2 318.505 4.007 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC001473924749 1061473019 /nfs/dbraw/zinc/47/30/19/1061473019.db2.gz ITEDXYZKIMNJIQ-HAZIXKIPSA-N 2 2 308.897 4.309 20 0 DIADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001473950898 1061492733 /nfs/dbraw/zinc/49/27/33/1061492733.db2.gz YRFJVLVCFQCQOT-MJGOQNOKSA-N 2 2 313.489 4.156 20 0 DIADLP Cc1cccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1F ZINC001473968582 1061513451 /nfs/dbraw/zinc/51/34/51/1061513451.db2.gz AHNHPRVXDGXXDS-UHFFFAOYSA-N 2 2 318.480 4.268 20 0 DIADLP Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(Cl)c1 ZINC001473978380 1061521258 /nfs/dbraw/zinc/52/12/58/1061521258.db2.gz HHMLBJJYKUUXJB-UHFFFAOYSA-N 2 2 303.837 4.025 20 0 DIADLP c1ccc(NCCCC[NH2+]Cc2cccc(CC3CCC3)c2)[nH+]c1 ZINC001473978377 1061522104 /nfs/dbraw/zinc/52/21/04/1061522104.db2.gz GZPHDTKBOCTCDV-UHFFFAOYSA-N 2 2 323.484 4.406 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC001458105490 1061573615 /nfs/dbraw/zinc/57/36/15/1061573615.db2.gz COPURJMZORYPQO-CQSZACIVSA-N 2 2 321.428 4.076 20 0 DIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC001458105490 1061573638 /nfs/dbraw/zinc/57/36/38/1061573638.db2.gz COPURJMZORYPQO-CQSZACIVSA-N 2 2 321.428 4.076 20 0 DIADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001474200307 1061749796 /nfs/dbraw/zinc/74/97/96/1061749796.db2.gz LGVDTCYAXMSSNX-IPMKNSEASA-N 2 2 314.517 4.454 20 0 DIADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001474200307 1061749816 /nfs/dbraw/zinc/74/98/16/1061749816.db2.gz LGVDTCYAXMSSNX-IPMKNSEASA-N 2 2 314.517 4.454 20 0 DIADLP C[C@@]1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213336 1061768592 /nfs/dbraw/zinc/76/85/92/1061768592.db2.gz XUGPKAMFIYTAPM-FUHWJXTLSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@]1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213336 1061768609 /nfs/dbraw/zinc/76/86/09/1061768609.db2.gz XUGPKAMFIYTAPM-FUHWJXTLSA-N 2 2 322.443 4.065 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC001474234299 1061794912 /nfs/dbraw/zinc/79/49/12/1061794912.db2.gz RGSYNPNAEUZXJL-RTBURBONSA-N 2 2 323.465 4.360 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351631 1061960597 /nfs/dbraw/zinc/96/05/97/1061960597.db2.gz KDFTWVMPGIUETQ-COMQUAJESA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351631 1061960611 /nfs/dbraw/zinc/96/06/11/1061960611.db2.gz KDFTWVMPGIUETQ-COMQUAJESA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[N@@H+]1C ZINC001474351631 1061960625 /nfs/dbraw/zinc/96/06/25/1061960625.db2.gz KDFTWVMPGIUETQ-COMQUAJESA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC001474351631 1061960641 /nfs/dbraw/zinc/96/06/41/1061960641.db2.gz KDFTWVMPGIUETQ-COMQUAJESA-N 2 2 310.532 4.088 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)[C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001474413288 1062077786 /nfs/dbraw/zinc/07/77/86/1062077786.db2.gz YZAHMSZAWZMQBQ-BBRMVZONSA-N 2 2 324.559 4.478 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001474413288 1062077810 /nfs/dbraw/zinc/07/78/10/1062077810.db2.gz YZAHMSZAWZMQBQ-BBRMVZONSA-N 2 2 324.559 4.478 20 0 DIADLP CC[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CC1(C)C ZINC001474472641 1062152354 /nfs/dbraw/zinc/15/23/54/1062152354.db2.gz BIPQACNGZUUABQ-ZWKOTPCHSA-N 2 2 306.538 4.447 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CCC[NH+](C)CC1 ZINC001254532372 1062163383 /nfs/dbraw/zinc/16/33/83/1062163383.db2.gz RXHNZPOPBPHVSC-HNNXBMFYSA-N 2 2 315.288 4.300 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CCC[NH+](C)CC1 ZINC001254532372 1062163401 /nfs/dbraw/zinc/16/34/01/1062163401.db2.gz RXHNZPOPBPHVSC-HNNXBMFYSA-N 2 2 315.288 4.300 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C)CC1 ZINC001254532372 1062163411 /nfs/dbraw/zinc/16/34/11/1062163411.db2.gz RXHNZPOPBPHVSC-HNNXBMFYSA-N 2 2 315.288 4.300 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532372 1062163418 /nfs/dbraw/zinc/16/34/18/1062163418.db2.gz RXHNZPOPBPHVSC-HNNXBMFYSA-N 2 2 315.288 4.300 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496330 1062176809 /nfs/dbraw/zinc/17/68/09/1062176809.db2.gz GAYHMNRYPFUSDX-YOEHRIQHSA-N 2 2 308.897 4.154 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496330 1062176816 /nfs/dbraw/zinc/17/68/16/1062176816.db2.gz GAYHMNRYPFUSDX-YOEHRIQHSA-N 2 2 308.897 4.154 20 0 DIADLP C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001459543389 1062197774 /nfs/dbraw/zinc/19/77/74/1062197774.db2.gz NUIGFKHHGYLOHO-HNNXBMFYSA-N 2 2 321.399 4.131 20 0 DIADLP C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001459543389 1062197785 /nfs/dbraw/zinc/19/77/85/1062197785.db2.gz NUIGFKHHGYLOHO-HNNXBMFYSA-N 2 2 321.399 4.131 20 0 DIADLP Fc1ccc(-c2ccccc2C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254838102 1062263020 /nfs/dbraw/zinc/26/30/20/1062263020.db2.gz YYFLZAKJTDXZDP-HXUWFJFHSA-N 2 2 324.443 4.067 20 0 DIADLP Cc1ccc([C@H](C)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001474682081 1062413344 /nfs/dbraw/zinc/41/33/44/1062413344.db2.gz HDRDDEGPOZCVKF-WIYYLYMNSA-N 2 2 319.452 4.326 20 0 DIADLP C[C@H]1C[C@H]([NH+]2CCC(C)([NH+]3CCC3)CC2)c2ccsc2S1 ZINC001474682112 1062413791 /nfs/dbraw/zinc/41/37/91/1062413791.db2.gz HOMYUJDUZZSOHS-ZFWWWQNUSA-N 2 2 322.543 4.234 20 0 DIADLP CC(C)c1ccc([C@@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC001459888191 1062471738 /nfs/dbraw/zinc/47/17/38/1062471738.db2.gz FBZAAICNCPTQSD-FQEVSTJZSA-N 2 2 311.473 4.313 20 0 DIADLP CC(C)c1ccc([C@@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC001459888191 1062471752 /nfs/dbraw/zinc/47/17/52/1062471752.db2.gz FBZAAICNCPTQSD-FQEVSTJZSA-N 2 2 311.473 4.313 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001255698613 1062523534 /nfs/dbraw/zinc/52/35/34/1062523534.db2.gz BVWWAVYLDCISFI-CABCVRRESA-N 2 2 323.362 4.302 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001459959224 1062525475 /nfs/dbraw/zinc/52/54/75/1062525475.db2.gz AUSDSLLNUUCHBN-NJYVYQBISA-N 2 2 314.517 4.250 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001459959224 1062525492 /nfs/dbraw/zinc/52/54/92/1062525492.db2.gz AUSDSLLNUUCHBN-NJYVYQBISA-N 2 2 314.517 4.250 20 0 DIADLP Clc1ccc(C2=CC[N@@H+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256072954 1062695483 /nfs/dbraw/zinc/69/54/83/1062695483.db2.gz KGNDUYWCDPLWOI-UHFFFAOYSA-N 2 2 316.876 4.056 20 0 DIADLP Clc1ccc(C2=CC[N@H+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256072954 1062695489 /nfs/dbraw/zinc/69/54/89/1062695489.db2.gz KGNDUYWCDPLWOI-UHFFFAOYSA-N 2 2 316.876 4.056 20 0 DIADLP Clc1ccccc1C1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256081187 1062697549 /nfs/dbraw/zinc/69/75/49/1062697549.db2.gz RVEBUPIMTWUFSY-UHFFFAOYSA-N 2 2 318.892 4.146 20 0 DIADLP c1ccc([C@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001256109694 1062710577 /nfs/dbraw/zinc/71/05/77/1062710577.db2.gz OVJPHKLLNTYLNA-SLFFLAALSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC001256109694 1062710598 /nfs/dbraw/zinc/71/05/98/1062710598.db2.gz OVJPHKLLNTYLNA-SLFFLAALSA-N 2 2 312.501 4.319 20 0 DIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256117118 1062717511 /nfs/dbraw/zinc/71/75/11/1062717511.db2.gz FRWUAPXDHGVZSH-ICSRJNTNSA-N 2 2 300.490 4.129 20 0 DIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256117118 1062717530 /nfs/dbraw/zinc/71/75/30/1062717530.db2.gz FRWUAPXDHGVZSH-ICSRJNTNSA-N 2 2 300.490 4.129 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)C1CC[NH+](C)CC1 ZINC001256209929 1062748534 /nfs/dbraw/zinc/74/85/34/1062748534.db2.gz XJDQFEURBPFXFJ-HXUWFJFHSA-N 2 2 302.506 4.204 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C1CC[NH+](C)CC1 ZINC001256209929 1062748559 /nfs/dbraw/zinc/74/85/59/1062748559.db2.gz XJDQFEURBPFXFJ-HXUWFJFHSA-N 2 2 302.506 4.204 20 0 DIADLP CC(C)CC[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256364102 1062788033 /nfs/dbraw/zinc/78/80/33/1062788033.db2.gz PXPLXNWKHHAECA-SFHVURJKSA-N 2 2 302.506 4.408 20 0 DIADLP CC(C)CC[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256364102 1062788054 /nfs/dbraw/zinc/78/80/54/1062788054.db2.gz PXPLXNWKHHAECA-SFHVURJKSA-N 2 2 302.506 4.408 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001256525922 1062847147 /nfs/dbraw/zinc/84/71/47/1062847147.db2.gz HDNZFWWNFJXASC-IHPCNDPISA-N 2 2 323.484 4.175 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001256525922 1062847163 /nfs/dbraw/zinc/84/71/63/1062847163.db2.gz HDNZFWWNFJXASC-IHPCNDPISA-N 2 2 323.484 4.175 20 0 DIADLP C[C@H]1C[C@H]([NH+]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555634 1062876517 /nfs/dbraw/zinc/87/65/17/1062876517.db2.gz VHJZCQZZNTWZRS-QFBILLFUSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@H]([NH+]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555634 1062876534 /nfs/dbraw/zinc/87/65/34/1062876534.db2.gz VHJZCQZZNTWZRS-QFBILLFUSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555634 1062876557 /nfs/dbraw/zinc/87/65/57/1062876557.db2.gz VHJZCQZZNTWZRS-QFBILLFUSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555634 1062876579 /nfs/dbraw/zinc/87/65/79/1062876579.db2.gz VHJZCQZZNTWZRS-QFBILLFUSA-N 2 2 324.443 4.194 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001256567558 1062890417 /nfs/dbraw/zinc/89/04/17/1062890417.db2.gz WDORINXINFANSB-INIZCTEOSA-N 2 2 321.896 4.039 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001256568798 1062893141 /nfs/dbraw/zinc/89/31/41/1062893141.db2.gz FQYSJRARVYIJGI-MRXNPFEDSA-N 2 2 322.880 4.016 20 0 DIADLP CC[N@H+](C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604929 1062912653 /nfs/dbraw/zinc/91/26/53/1062912653.db2.gz UFPZDWDWFYMXJI-UHFFFAOYSA-N 2 2 300.490 4.306 20 0 DIADLP CC[N@@H+](C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604929 1062912676 /nfs/dbraw/zinc/91/26/76/1062912676.db2.gz UFPZDWDWFYMXJI-UHFFFAOYSA-N 2 2 300.490 4.306 20 0 DIADLP Cc1ccc2c(c1)CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256612937 1062919197 /nfs/dbraw/zinc/91/91/97/1062919197.db2.gz SHLRJUHWSXTFNC-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP Cc1ccc2c(c1)CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256612937 1062919226 /nfs/dbraw/zinc/91/92/26/1062919226.db2.gz SHLRJUHWSXTFNC-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727672 1063019843 /nfs/dbraw/zinc/01/98/43/1063019843.db2.gz KVBGUWCIVGWYBL-OALUTQOASA-N 2 2 312.482 4.084 20 0 DIADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727672 1063019860 /nfs/dbraw/zinc/01/98/60/1063019860.db2.gz KVBGUWCIVGWYBL-OALUTQOASA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727672 1063019884 /nfs/dbraw/zinc/01/98/84/1063019884.db2.gz KVBGUWCIVGWYBL-OALUTQOASA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727672 1063019910 /nfs/dbraw/zinc/01/99/10/1063019910.db2.gz KVBGUWCIVGWYBL-OALUTQOASA-N 2 2 312.482 4.084 20 0 DIADLP CC1(C)[C@H](c2cccc(Cl)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001460733147 1063028219 /nfs/dbraw/zinc/02/82/19/1063028219.db2.gz UFBKESWNDZLWRO-KRWDZBQOSA-N 2 2 317.864 4.195 20 0 DIADLP CC1(C)[C@H](c2cccc(Cl)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC001460733147 1063028243 /nfs/dbraw/zinc/02/82/43/1063028243.db2.gz UFBKESWNDZLWRO-KRWDZBQOSA-N 2 2 317.864 4.195 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC001460745769 1063038039 /nfs/dbraw/zinc/03/80/39/1063038039.db2.gz GNRFQYFNLDOUFQ-MOPGFXCFSA-N 2 2 316.464 4.022 20 0 DIADLP CC(C)[PH+](CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C(C)C ZINC001256908782 1063041255 /nfs/dbraw/zinc/04/12/55/1063041255.db2.gz NTVDEUXSYUOPTH-QGZVFWFLSA-N 3 2 312.482 4.282 20 0 DIADLP CC(C)[PH+](CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C(C)C ZINC001256908782 1063041276 /nfs/dbraw/zinc/04/12/76/1063041276.db2.gz NTVDEUXSYUOPTH-QGZVFWFLSA-N 3 2 312.482 4.282 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001257216153 1063144254 /nfs/dbraw/zinc/14/42/54/1063144254.db2.gz CKTHRMXUQVEBDG-AWEZNQCLSA-N 2 2 312.910 4.411 20 0 DIADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001257216153 1063144265 /nfs/dbraw/zinc/14/42/65/1063144265.db2.gz CKTHRMXUQVEBDG-AWEZNQCLSA-N 2 2 312.910 4.411 20 0 DIADLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001257250009 1063156803 /nfs/dbraw/zinc/15/68/03/1063156803.db2.gz HGRADLWNRULHFZ-SFHVURJKSA-N 2 2 306.469 4.267 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001460977332 1063165795 /nfs/dbraw/zinc/16/57/95/1063165795.db2.gz XUQIJYQRSQBZDT-SFHVURJKSA-N 2 2 311.473 4.060 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001460977332 1063165808 /nfs/dbraw/zinc/16/58/08/1063165808.db2.gz XUQIJYQRSQBZDT-SFHVURJKSA-N 2 2 311.473 4.060 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001460989214 1063168102 /nfs/dbraw/zinc/16/81/02/1063168102.db2.gz LBXMTIHAKIRWLI-XUVXKRRUSA-N 2 2 300.490 4.177 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001460989214 1063168110 /nfs/dbraw/zinc/16/81/10/1063168110.db2.gz LBXMTIHAKIRWLI-XUVXKRRUSA-N 2 2 300.490 4.177 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001460989210 1063168641 /nfs/dbraw/zinc/16/86/41/1063168641.db2.gz LBXMTIHAKIRWLI-VAMGGRTRSA-N 2 2 300.490 4.177 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001460989210 1063168647 /nfs/dbraw/zinc/16/86/47/1063168647.db2.gz LBXMTIHAKIRWLI-VAMGGRTRSA-N 2 2 300.490 4.177 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001461003835 1063181597 /nfs/dbraw/zinc/18/15/97/1063181597.db2.gz VAQBMSRJXJJIDX-SESVDKBCSA-N 2 2 312.501 4.406 20 0 DIADLP CCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422567 1063271650 /nfs/dbraw/zinc/27/16/50/1063271650.db2.gz UNFNHYYXOPLRKF-IKGGRYGDSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422567 1063271669 /nfs/dbraw/zinc/27/16/69/1063271669.db2.gz UNFNHYYXOPLRKF-IKGGRYGDSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257422567 1063271688 /nfs/dbraw/zinc/27/16/88/1063271688.db2.gz UNFNHYYXOPLRKF-IKGGRYGDSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257422567 1063271704 /nfs/dbraw/zinc/27/17/04/1063271704.db2.gz UNFNHYYXOPLRKF-IKGGRYGDSA-N 2 2 321.534 4.008 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127376 1063276426 /nfs/dbraw/zinc/27/64/26/1063276426.db2.gz DRZIDQBBZFLBMO-MISYRCLQSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127376 1063276444 /nfs/dbraw/zinc/27/64/44/1063276444.db2.gz DRZIDQBBZFLBMO-MISYRCLQSA-N 2 2 314.517 4.455 20 0 DIADLP c1cc(-c2ccc3c(C4C[NH+](C5CCCCC5)C4)[nH+]cn3c2)co1 ZINC001257458256 1063283023 /nfs/dbraw/zinc/28/30/23/1063283023.db2.gz YQNQQWCNYJWPAH-UHFFFAOYSA-N 2 2 321.424 4.326 20 0 DIADLP CCC[C@H](C)CC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257470165 1063290709 /nfs/dbraw/zinc/29/07/09/1063290709.db2.gz FVKVRXRMZNXMQT-ROUUACIJSA-N 2 2 317.521 4.493 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001257469668 1063291214 /nfs/dbraw/zinc/29/12/14/1063291214.db2.gz YFRPKAHWBIEIBA-DLBZAZTESA-N 2 2 303.494 4.245 20 0 DIADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC001461145992 1063292348 /nfs/dbraw/zinc/29/23/48/1063292348.db2.gz FPJZULSIKGCYRP-QZTJIDSGSA-N 2 2 303.494 4.468 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC001461224929 1063345606 /nfs/dbraw/zinc/34/56/06/1063345606.db2.gz WZVINZXCRJAPEO-DJHHFUNSSA-N 2 2 324.443 4.093 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC001461224929 1063345620 /nfs/dbraw/zinc/34/56/20/1063345620.db2.gz WZVINZXCRJAPEO-DJHHFUNSSA-N 2 2 324.443 4.093 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC001461374318 1063454854 /nfs/dbraw/zinc/45/48/54/1063454854.db2.gz YFDUGYYWNRIJIA-MBOZVWFJSA-N 2 2 315.505 4.165 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1F ZINC001473171364 1063475329 /nfs/dbraw/zinc/47/53/29/1063475329.db2.gz XEVQHPXLVIFEFM-MJGOQNOKSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1F ZINC001473171364 1063475336 /nfs/dbraw/zinc/47/53/36/1063475336.db2.gz XEVQHPXLVIFEFM-MJGOQNOKSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC001473171364 1063475345 /nfs/dbraw/zinc/47/53/45/1063475345.db2.gz XEVQHPXLVIFEFM-MJGOQNOKSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC001473171364 1063475364 /nfs/dbraw/zinc/47/53/64/1063475364.db2.gz XEVQHPXLVIFEFM-MJGOQNOKSA-N 2 2 318.480 4.221 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001258059324 1063487346 /nfs/dbraw/zinc/48/73/46/1063487346.db2.gz ZCCQRFMNKLJHEW-DLBZAZTESA-N 2 2 303.494 4.101 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258056951 1063487572 /nfs/dbraw/zinc/48/75/72/1063487572.db2.gz BJEKJRTWRHHGOO-QZTJIDSGSA-N 2 2 317.521 4.348 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258077992 1063505110 /nfs/dbraw/zinc/50/51/10/1063505110.db2.gz PQRBMEYPHBLGEX-CVEARBPZSA-N 2 2 321.484 4.240 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258080293 1063505661 /nfs/dbraw/zinc/50/56/61/1063505661.db2.gz GOKPQHZLOGOJOZ-KRWDZBQOSA-N 2 2 301.478 4.023 20 0 DIADLP C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001461549544 1063576179 /nfs/dbraw/zinc/57/61/79/1063576179.db2.gz LORCXNZQEHYHEN-MRXNPFEDSA-N 2 2 304.522 4.093 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CCC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC001461559522 1063579354 /nfs/dbraw/zinc/57/93/54/1063579354.db2.gz NKNMFDUCNRHDBY-QGZVFWFLSA-N 2 2 322.443 4.065 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CCC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC001461559522 1063579369 /nfs/dbraw/zinc/57/93/69/1063579369.db2.gz NKNMFDUCNRHDBY-QGZVFWFLSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258306205 1063600366 /nfs/dbraw/zinc/60/03/66/1063600366.db2.gz KQFPQAYWERWDEO-MAUKXSAKSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258306205 1063600376 /nfs/dbraw/zinc/60/03/76/1063600376.db2.gz KQFPQAYWERWDEO-MAUKXSAKSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258306208 1063601408 /nfs/dbraw/zinc/60/14/08/1063601408.db2.gz KQFPQAYWERWDEO-YJBOKZPZSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258306208 1063601415 /nfs/dbraw/zinc/60/14/15/1063601415.db2.gz KQFPQAYWERWDEO-YJBOKZPZSA-N 2 2 324.534 4.144 20 0 DIADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001258321522 1063610377 /nfs/dbraw/zinc/61/03/77/1063610377.db2.gz NLSFETSPWSPEPG-AEFFLSMTSA-N 2 2 320.546 4.333 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CC1CCCCCC1)c1ccccc1 ZINC001461655117 1063638752 /nfs/dbraw/zinc/63/87/52/1063638752.db2.gz JQDPFCFYQLCINK-LJQANCHMSA-N 2 2 311.473 4.264 20 0 DIADLP CCCCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258432755 1063649573 /nfs/dbraw/zinc/64/95/73/1063649573.db2.gz FEMBABAZFSVNQM-GOSISDBHSA-N 2 2 318.505 4.305 20 0 DIADLP C[C@@H](CC1CC1)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001258471793 1063669581 /nfs/dbraw/zinc/66/95/81/1063669581.db2.gz GHGHWSIFTPHZIP-NWRWZVFGSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H](CC1CC1)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001258471793 1063669583 /nfs/dbraw/zinc/66/95/83/1063669583.db2.gz GHGHWSIFTPHZIP-NWRWZVFGSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H](CC1CC1)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001258471793 1063669592 /nfs/dbraw/zinc/66/95/92/1063669592.db2.gz GHGHWSIFTPHZIP-NWRWZVFGSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H](CC1CC1)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001258471793 1063669598 /nfs/dbraw/zinc/66/95/98/1063669598.db2.gz GHGHWSIFTPHZIP-NWRWZVFGSA-N 2 2 314.517 4.070 20 0 DIADLP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001461788961 1063718009 /nfs/dbraw/zinc/71/80/09/1063718009.db2.gz HNLYUORXNBWGOQ-YUXAGFNASA-N 2 2 322.496 4.290 20 0 DIADLP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001461788961 1063718017 /nfs/dbraw/zinc/71/80/17/1063718017.db2.gz HNLYUORXNBWGOQ-YUXAGFNASA-N 2 2 322.496 4.290 20 0 DIADLP CCC[C@@H](Cc1ccccc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258661995 1063731312 /nfs/dbraw/zinc/73/13/12/1063731312.db2.gz ZATBFRKNHLAOSR-FQEVSTJZSA-N 2 2 323.484 4.051 20 0 DIADLP CCCCC[C@H](CCC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258674121 1063742354 /nfs/dbraw/zinc/74/23/54/1063742354.db2.gz RKKZVJJZCUNJIY-KRWDZBQOSA-N 2 2 303.494 4.389 20 0 DIADLP C[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258691618 1063756248 /nfs/dbraw/zinc/75/62/48/1063756248.db2.gz HDPVPKAAVNMJTP-BRSBDYLESA-N 2 2 315.505 4.373 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC(C)(C)C1 ZINC001258695252 1063757628 /nfs/dbraw/zinc/75/76/28/1063757628.db2.gz ZZGGRMDKZMTTNZ-HZPDHXFCSA-N 2 2 302.462 4.140 20 0 DIADLP CCCC[C@H](Cc1ccccc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258713053 1063767628 /nfs/dbraw/zinc/76/76/28/1063767628.db2.gz BMENQTYSSWEMCS-RBUKOAKNSA-N 2 2 311.473 4.324 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(F)c1 ZINC001461966601 1063843925 /nfs/dbraw/zinc/84/39/25/1063843925.db2.gz GYQSTHACQFQYGI-GOSISDBHSA-N 2 2 318.480 4.222 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(F)c1 ZINC001461966601 1063843940 /nfs/dbraw/zinc/84/39/40/1063843940.db2.gz GYQSTHACQFQYGI-GOSISDBHSA-N 2 2 318.480 4.222 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC001258814698 1063845223 /nfs/dbraw/zinc/84/52/23/1063845223.db2.gz QFQZTZYWZHATQJ-MGPUTAFESA-N 2 2 318.480 4.267 20 0 DIADLP Fc1cccc2c1CC[C@H]2[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC001261639956 1063941255 /nfs/dbraw/zinc/94/12/55/1063941255.db2.gz RIEPHOLHCDYFKV-OAQYLSRUSA-N 2 2 324.443 4.067 20 0 DIADLP c1c2ccccc2oc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000571038329 1063951065 /nfs/dbraw/zinc/95/10/65/1063951065.db2.gz JKAPGLYXCMQNMN-PKOBYXMFSA-N 2 2 306.409 4.016 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC000378930487 1063981407 /nfs/dbraw/zinc/98/14/07/1063981407.db2.gz XSSGGLVEAITMAU-HXUWFJFHSA-N 2 2 323.484 4.024 20 0 DIADLP CC/C=C\CCC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001279487775 1064353513 /nfs/dbraw/zinc/35/35/13/1064353513.db2.gz QIPQPWRFJRNDGZ-ARJAWSKDSA-N 2 2 318.427 4.083 20 0 DIADLP CC/C=C\CCC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001279487775 1064353522 /nfs/dbraw/zinc/35/35/22/1064353522.db2.gz QIPQPWRFJRNDGZ-ARJAWSKDSA-N 2 2 318.427 4.083 20 0 DIADLP Fc1ccccc1C1([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC000647802428 1064415157 /nfs/dbraw/zinc/41/51/57/1064415157.db2.gz LHHILZRFVUQPHK-PXNSSMCTSA-N 2 2 324.443 4.288 20 0 DIADLP C[C@@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001308025384 1065730555 /nfs/dbraw/zinc/73/05/55/1065730555.db2.gz BJIWROWTOUKXAA-FQEVSTJZSA-N 2 2 309.457 4.417 20 0 DIADLP C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001308025384 1065730567 /nfs/dbraw/zinc/73/05/67/1065730567.db2.gz BJIWROWTOUKXAA-FQEVSTJZSA-N 2 2 309.457 4.417 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cs1 ZINC001308166380 1065788333 /nfs/dbraw/zinc/78/83/33/1065788333.db2.gz WIXYBNRKEAHYIE-MRXNPFEDSA-N 2 2 317.502 4.388 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cs1 ZINC001308166380 1065788341 /nfs/dbraw/zinc/78/83/41/1065788341.db2.gz WIXYBNRKEAHYIE-MRXNPFEDSA-N 2 2 317.502 4.388 20 0 DIADLP Cc1cc(CNc2ccc(CC[NH+]3CCCCC3)cc2)cc(C)[nH+]1 ZINC001308217533 1065824928 /nfs/dbraw/zinc/82/49/28/1065824928.db2.gz NFNHXQPUPDNDFZ-UHFFFAOYSA-N 2 2 323.484 4.339 20 0 DIADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c(F)c1 ZINC001308238517 1065844982 /nfs/dbraw/zinc/84/49/82/1065844982.db2.gz XHOCCPUTVBFHMJ-UHFFFAOYSA-N 2 2 318.480 4.268 20 0 DIADLP CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308303789 1065899078 /nfs/dbraw/zinc/89/90/78/1065899078.db2.gz SPOKJOYQZWTADQ-HZPDHXFCSA-N 2 2 321.515 4.088 20 0 DIADLP C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360754 1065939143 /nfs/dbraw/zinc/93/91/43/1065939143.db2.gz QNPHGDSSTMTNIX-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360290 1065939183 /nfs/dbraw/zinc/93/91/83/1065939183.db2.gz MCXVQINSCDJPEP-KZSQQDEKSA-N 2 2 321.399 4.375 20 0 DIADLP C[C@H]([NH2+]Cc1scnc1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360971 1065939337 /nfs/dbraw/zinc/93/93/37/1065939337.db2.gz UJKMUFMSZUMCLY-ZDUSSCGKSA-N 2 2 324.453 4.057 20 0 DIADLP CCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC001308364333 1065942131 /nfs/dbraw/zinc/94/21/31/1065942131.db2.gz VJEOBAIXPLEQJX-UHFFFAOYSA-N 2 2 303.475 4.384 20 0 DIADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC001308395334 1065962051 /nfs/dbraw/zinc/96/20/51/1065962051.db2.gz NYBOWDHOZVZLDR-VQTJNVASSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001308395334 1065962062 /nfs/dbraw/zinc/96/20/62/1065962062.db2.gz NYBOWDHOZVZLDR-VQTJNVASSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC001308395332 1065962566 /nfs/dbraw/zinc/96/25/66/1065962566.db2.gz NYBOWDHOZVZLDR-PMACEKPBSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001308395332 1065962577 /nfs/dbraw/zinc/96/25/77/1065962577.db2.gz NYBOWDHOZVZLDR-PMACEKPBSA-N 2 2 300.490 4.033 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001308476550 1066016306 /nfs/dbraw/zinc/01/63/06/1066016306.db2.gz OEDMLPQPCLKGJR-NRFANRHFSA-N 2 2 308.469 4.236 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001308476550 1066016317 /nfs/dbraw/zinc/01/63/17/1066016317.db2.gz OEDMLPQPCLKGJR-NRFANRHFSA-N 2 2 308.469 4.236 20 0 DIADLP C[C@H](CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1)[NH+](C)C ZINC001308478217 1066016751 /nfs/dbraw/zinc/01/67/51/1066016751.db2.gz FOXCPKMORZZCSJ-CYBMUJFWSA-N 2 2 306.837 4.030 20 0 DIADLP C[C@@H](CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1)[NH+](C)C ZINC001308478219 1066017233 /nfs/dbraw/zinc/01/72/33/1066017233.db2.gz FOXCPKMORZZCSJ-ZDUSSCGKSA-N 2 2 306.837 4.030 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001308737718 1066212796 /nfs/dbraw/zinc/21/27/96/1066212796.db2.gz LYERDOBOBLFZEE-VJFUWPCTSA-N 2 2 320.908 4.296 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001308737718 1066212805 /nfs/dbraw/zinc/21/28/05/1066212805.db2.gz LYERDOBOBLFZEE-VJFUWPCTSA-N 2 2 320.908 4.296 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001308738262 1066214336 /nfs/dbraw/zinc/21/43/36/1066214336.db2.gz RPCYCQIRALKBOX-AABGKKOBSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001308738262 1066214347 /nfs/dbraw/zinc/21/43/47/1066214347.db2.gz RPCYCQIRALKBOX-AABGKKOBSA-N 2 2 314.517 4.108 20 0 DIADLP CC(C)C1CC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001308783933 1066257007 /nfs/dbraw/zinc/25/70/07/1066257007.db2.gz BFQDYJOLUIDRMO-UHFFFAOYSA-N 2 2 303.837 4.050 20 0 DIADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001308896965 1066375566 /nfs/dbraw/zinc/37/55/66/1066375566.db2.gz WLYNDRHEFQGRPP-HSALFYBXSA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001308896965 1066375579 /nfs/dbraw/zinc/37/55/79/1066375579.db2.gz WLYNDRHEFQGRPP-HSALFYBXSA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001308896963 1066375746 /nfs/dbraw/zinc/37/57/46/1066375746.db2.gz WLYNDRHEFQGRPP-AABGKKOBSA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001308896963 1066375762 /nfs/dbraw/zinc/37/57/62/1066375762.db2.gz WLYNDRHEFQGRPP-AABGKKOBSA-N 2 2 300.490 4.209 20 0 DIADLP Cc1cc(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c[nH+]c1C ZINC001308918426 1066397216 /nfs/dbraw/zinc/39/72/16/1066397216.db2.gz LMXNCUCEBPBEAQ-ZJOUEHCJSA-N 2 2 321.468 4.163 20 0 DIADLP Cc1cc(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c[nH+]c1C ZINC001308918426 1066397224 /nfs/dbraw/zinc/39/72/24/1066397224.db2.gz LMXNCUCEBPBEAQ-ZJOUEHCJSA-N 2 2 321.468 4.163 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCCC(F)(F)F)C1 ZINC001308983203 1066431318 /nfs/dbraw/zinc/43/13/18/1066431318.db2.gz MGRIEIMNKYEBGR-ZDUSSCGKSA-N 2 2 317.399 4.160 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCCC(F)(F)F)C1 ZINC001308983203 1066431322 /nfs/dbraw/zinc/43/13/22/1066431322.db2.gz MGRIEIMNKYEBGR-ZDUSSCGKSA-N 2 2 317.399 4.160 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092568138 185326589 /nfs/dbraw/zinc/32/65/89/185326589.db2.gz BUUWZYIHGDBLAX-BZSNNMDCSA-N 2 2 315.505 4.023 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C[C@H](c3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000563740075 334973205 /nfs/dbraw/zinc/97/32/05/334973205.db2.gz VDKQMAZSQBPCLT-OAQYLSRUSA-N 2 2 317.436 4.156 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccnc1Cl ZINC000272635162 130048892 /nfs/dbraw/zinc/04/88/92/130048892.db2.gz BOBPLZXAOYYMED-SOUVJXGZSA-N 2 2 321.896 4.039 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccnc1Cl ZINC000272635162 130048894 /nfs/dbraw/zinc/04/88/94/130048894.db2.gz BOBPLZXAOYYMED-SOUVJXGZSA-N 2 2 321.896 4.039 20 0 DIADLP CC1=CC[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000285048403 131134542 /nfs/dbraw/zinc/13/45/42/131134542.db2.gz IJLRJJZWKFWATO-KRWDZBQOSA-N 2 2 313.489 4.128 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000286328866 131230768 /nfs/dbraw/zinc/23/07/68/131230768.db2.gz XWQKPWSPISSYAQ-HBFSDRIKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000286328866 131230769 /nfs/dbraw/zinc/23/07/69/131230769.db2.gz XWQKPWSPISSYAQ-HBFSDRIKSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000289290064 131371614 /nfs/dbraw/zinc/37/16/14/131371614.db2.gz RBWJKIFSSXYAAX-HRAATJIYSA-N 2 2 317.436 4.270 20 0 DIADLP CCc1cc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nc[nH+]1 ZINC000603382801 435334992 /nfs/dbraw/zinc/33/49/92/435334992.db2.gz QPTDKEXRXFCHHM-MRXNPFEDSA-N 2 2 324.472 4.026 20 0 DIADLP CCc1cc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nc[nH+]1 ZINC000603382801 435334996 /nfs/dbraw/zinc/33/49/96/435334996.db2.gz QPTDKEXRXFCHHM-MRXNPFEDSA-N 2 2 324.472 4.026 20 0 DIADLP CC(C)c1cc(NC2CC[NH+](CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000536390570 435380558 /nfs/dbraw/zinc/38/05/58/435380558.db2.gz LJFBQARWEVEMMM-UHFFFAOYSA-N 2 2 316.493 4.010 20 0 DIADLP Cc1cccnc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449070682 332813313 /nfs/dbraw/zinc/81/33/13/332813313.db2.gz LFICHTFVAJOFOZ-UHFFFAOYSA-N 2 2 317.521 4.159 20 0 DIADLP CCc1ccc(C[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)s1 ZINC000575020730 332873904 /nfs/dbraw/zinc/87/39/04/332873904.db2.gz YZWKAAFAUWVJAV-LJQANCHMSA-N 2 2 310.466 4.253 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cs1 ZINC000186370072 331545093 /nfs/dbraw/zinc/54/50/93/331545093.db2.gz LECYMLBNHMFJPD-OAHLLOKOSA-N 2 2 311.539 4.426 20 0 DIADLP Cc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCCC2)o1 ZINC000556604521 331719929 /nfs/dbraw/zinc/71/99/29/331719929.db2.gz JICHJJDEWANSHS-IBGZPJMESA-N 2 2 313.445 4.142 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128138163 332010038 /nfs/dbraw/zinc/01/00/38/332010038.db2.gz ZVUVPJAHSSBJBD-GOSISDBHSA-N 2 2 306.881 4.255 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000091670005 332080716 /nfs/dbraw/zinc/08/07/16/332080716.db2.gz IHECYARXJOQBBO-UHFFFAOYSA-N 2 2 318.461 4.080 20 0 DIADLP CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132268243 332126383 /nfs/dbraw/zinc/12/63/83/332126383.db2.gz PNSPDCISPGTXAE-LSDHHAIUSA-N 2 2 303.475 4.055 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000559722577 332277837 /nfs/dbraw/zinc/27/78/37/332277837.db2.gz XXKPDWAMMVNKAC-PKOBYXMFSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000559722577 332277838 /nfs/dbraw/zinc/27/78/38/332277838.db2.gz XXKPDWAMMVNKAC-PKOBYXMFSA-N 2 2 314.860 4.265 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000559740085 332278308 /nfs/dbraw/zinc/27/83/08/332278308.db2.gz KMKAXXKRCHTECJ-BEKAIBRUSA-N 2 2 324.468 4.328 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000559740085 332278310 /nfs/dbraw/zinc/27/83/10/332278310.db2.gz KMKAXXKRCHTECJ-BEKAIBRUSA-N 2 2 324.468 4.328 20 0 DIADLP C[C@H](CCC(C)(C)C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000560244314 332322644 /nfs/dbraw/zinc/32/26/44/332322644.db2.gz CBEKFLPIUPRHLM-OAHLLOKOSA-N 2 2 301.478 4.310 20 0 DIADLP Cc1ccnc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000560528238 332351578 /nfs/dbraw/zinc/35/15/78/332351578.db2.gz OSRGUOIAHSAUHU-IAGOWNOFSA-N 2 2 311.473 4.170 20 0 DIADLP CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000560882125 332391500 /nfs/dbraw/zinc/39/15/00/332391500.db2.gz BBAJURQOXPOHMK-UHFFFAOYSA-N 2 2 308.897 4.330 20 0 DIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCc3c4ccccc4sc31)CC2 ZINC000427882321 332553422 /nfs/dbraw/zinc/55/34/22/332553422.db2.gz AJWKIHLOXNBBMP-XJKSGUPXSA-N 2 2 323.465 4.080 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151308798 332569814 /nfs/dbraw/zinc/56/98/14/332569814.db2.gz LUCYHWICCOOIBJ-QGZVFWFLSA-N 2 2 319.452 4.345 20 0 DIADLP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000569983121 332698818 /nfs/dbraw/zinc/69/88/18/332698818.db2.gz ZWQSHXQJKDTNGK-IRXDYDNUSA-N 2 2 317.521 4.411 20 0 DIADLP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000569983123 332698936 /nfs/dbraw/zinc/69/89/36/332698936.db2.gz ZWQSHXQJKDTNGK-SJORKVTESA-N 2 2 317.521 4.411 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000518774481 333110442 /nfs/dbraw/zinc/11/04/42/333110442.db2.gz KVONYLYNCVFVML-GHTZIAJQSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000518774481 333110443 /nfs/dbraw/zinc/11/04/43/333110443.db2.gz KVONYLYNCVFVML-GHTZIAJQSA-N 2 2 308.469 4.229 20 0 DIADLP CC(C)Oc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000187919350 333153045 /nfs/dbraw/zinc/15/30/45/333153045.db2.gz YWKBEYTUIFVFKN-HOCLYGCPSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000187919350 333153046 /nfs/dbraw/zinc/15/30/46/333153046.db2.gz YWKBEYTUIFVFKN-HOCLYGCPSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000187919350 333153047 /nfs/dbraw/zinc/15/30/47/333153047.db2.gz YWKBEYTUIFVFKN-HOCLYGCPSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000187919350 333153048 /nfs/dbraw/zinc/15/30/48/333153048.db2.gz YWKBEYTUIFVFKN-HOCLYGCPSA-N 2 2 324.896 4.042 20 0 DIADLP C[C@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(C)(C)C ZINC000188035311 333157730 /nfs/dbraw/zinc/15/77/30/333157730.db2.gz JMBXAGURNVTBPN-CQSZACIVSA-N 2 2 322.459 4.455 20 0 DIADLP C[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(C)(C)C ZINC000188035291 333157774 /nfs/dbraw/zinc/15/77/74/333157774.db2.gz JMBXAGURNVTBPN-AWEZNQCLSA-N 2 2 322.459 4.455 20 0 DIADLP Fc1ccc(C2CC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000109016186 333229404 /nfs/dbraw/zinc/22/94/04/333229404.db2.gz SFCOZOOCKFIWLT-UHFFFAOYSA-N 2 2 321.399 4.047 20 0 DIADLP Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000390323090 333266742 /nfs/dbraw/zinc/26/67/42/333266742.db2.gz ISDFLHFDCARJIY-QGZVFWFLSA-N 2 2 309.457 4.018 20 0 DIADLP c1ccc(N2CCC([NH2+][C@H]3CCCCC34CCCC4)CC2)[nH+]c1 ZINC000391881090 335130618 /nfs/dbraw/zinc/13/06/18/335130618.db2.gz JNHXWICDVHZDLB-SFHVURJKSA-N 2 2 313.489 4.143 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390563862 333300564 /nfs/dbraw/zinc/30/05/64/333300564.db2.gz NRAUTFONQURQFV-HKUYNNGSSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390563862 333300565 /nfs/dbraw/zinc/30/05/65/333300565.db2.gz NRAUTFONQURQFV-HKUYNNGSSA-N 2 2 324.468 4.010 20 0 DIADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390564912 333300852 /nfs/dbraw/zinc/30/08/52/333300852.db2.gz ORWWFJCDFSUDGQ-FXAWDEMLSA-N 2 2 324.468 4.010 20 0 DIADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390564912 333300853 /nfs/dbraw/zinc/30/08/53/333300853.db2.gz ORWWFJCDFSUDGQ-FXAWDEMLSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390576056 333303084 /nfs/dbraw/zinc/30/30/84/333303084.db2.gz FNSMOWPRIQGRND-YLJYHZDGSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390576056 333303086 /nfs/dbraw/zinc/30/30/86/333303086.db2.gz FNSMOWPRIQGRND-YLJYHZDGSA-N 2 2 324.468 4.010 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390580600 333303799 /nfs/dbraw/zinc/30/37/99/333303799.db2.gz HQYVMHOVLMERBF-HUUCEWRRSA-N 2 2 316.411 4.218 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390580600 333303800 /nfs/dbraw/zinc/30/38/00/333303800.db2.gz HQYVMHOVLMERBF-HUUCEWRRSA-N 2 2 316.411 4.218 20 0 DIADLP Cc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000320738605 335133155 /nfs/dbraw/zinc/13/31/55/335133155.db2.gz VRYIMCJSCLICFT-HXUWFJFHSA-N 2 2 312.432 4.061 20 0 DIADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1cccc(F)c1 ZINC000323470489 333339260 /nfs/dbraw/zinc/33/92/60/333339260.db2.gz XLVGNPRFBHEDQM-QGZVFWFLSA-N 2 2 311.404 4.225 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000537940067 333343503 /nfs/dbraw/zinc/34/35/03/333343503.db2.gz RPFYSTPQDUXYQH-KRWDZBQOSA-N 2 2 312.457 4.318 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000221740954 333365438 /nfs/dbraw/zinc/36/54/38/333365438.db2.gz NMYBCUXBSCIRSZ-LOWVWBTDSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000221740954 333365439 /nfs/dbraw/zinc/36/54/39/333365439.db2.gz NMYBCUXBSCIRSZ-LOWVWBTDSA-N 2 2 301.261 4.127 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000221916292 333379671 /nfs/dbraw/zinc/37/96/71/333379671.db2.gz GFPMBKPXFSCRPZ-JTQLQIEISA-N 2 2 309.306 4.436 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000221916292 333379673 /nfs/dbraw/zinc/37/96/73/333379673.db2.gz GFPMBKPXFSCRPZ-JTQLQIEISA-N 2 2 309.306 4.436 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152123871 333617178 /nfs/dbraw/zinc/61/71/78/333617178.db2.gz QTCZWTGFSLWZCE-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414065384 333890218 /nfs/dbraw/zinc/89/02/18/333890218.db2.gz OKRVBKDBCAWOBF-QGPMSJSTSA-N 2 2 317.864 4.241 20 0 DIADLP Cc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cs1 ZINC000294657161 334211927 /nfs/dbraw/zinc/21/19/27/334211927.db2.gz ADXYBARBLOZLCZ-OALUTQOASA-N 2 2 323.465 4.271 20 0 DIADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415107541 334281610 /nfs/dbraw/zinc/28/16/10/334281610.db2.gz JCUPASKHJHSMST-XKGZKEIXSA-N 2 2 324.468 4.148 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc2[nH]ccc21)[NH+](C)C ZINC000442995372 338441241 /nfs/dbraw/zinc/44/12/41/338441241.db2.gz BLFMBYIEXNJTDA-KKSFZXQISA-N 2 2 321.468 4.257 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000531947860 334302641 /nfs/dbraw/zinc/30/26/41/334302641.db2.gz FSHHASAPASHTKH-INIZCTEOSA-N 2 2 307.441 4.394 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1)CCC2 ZINC000534647431 334316240 /nfs/dbraw/zinc/31/62/40/334316240.db2.gz DHPSXZNMLJUBAH-DZJNRPSUSA-N 2 2 303.494 4.119 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1)CCC2 ZINC000534647432 334316255 /nfs/dbraw/zinc/31/62/55/334316255.db2.gz DHPSXZNMLJUBAH-OWLYRPNTSA-N 2 2 303.494 4.119 20 0 DIADLP Cc1ccc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1F ZINC000303767891 334330609 /nfs/dbraw/zinc/33/06/09/334330609.db2.gz DYJATPGQKRYNFH-INIZCTEOSA-N 2 2 314.448 4.353 20 0 DIADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000049554212 334350091 /nfs/dbraw/zinc/35/00/91/334350091.db2.gz AHYJMZPRKBMYLY-UWVGGRQHSA-N 2 2 307.240 4.123 20 0 DIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000125091871 334353435 /nfs/dbraw/zinc/35/34/35/334353435.db2.gz QRPASJJLNKDLEM-LSDHHAIUSA-N 2 2 315.486 4.019 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccccc1C(C)(C)C ZINC000535087440 334368773 /nfs/dbraw/zinc/36/87/73/334368773.db2.gz HATQOYKDNPVHBQ-HOTGVXAUSA-N 2 2 311.473 4.409 20 0 DIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1ccsc1 ZINC000050338522 334381983 /nfs/dbraw/zinc/38/19/83/334381983.db2.gz BEVCOLPRRKBSPX-CRAIPNDOSA-N 2 2 300.471 4.236 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3ccc(C)cn13)CCC2 ZINC000342299830 334526385 /nfs/dbraw/zinc/52/63/85/334526385.db2.gz AMGRIHAOLBTTGU-LJQANCHMSA-N 2 2 305.425 4.118 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000343988193 335205612 /nfs/dbraw/zinc/20/56/12/335205612.db2.gz YSMHFJBBBKAITH-HNNXBMFYSA-N 2 2 323.465 4.445 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000343968867 335208748 /nfs/dbraw/zinc/20/87/48/335208748.db2.gz BNRDGSAJAYFKCS-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc(Cl)c1 ZINC000343971884 335209035 /nfs/dbraw/zinc/20/90/35/335209035.db2.gz FBCBKYCKAOUQOF-DOTOQJQBSA-N 2 2 317.864 4.463 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000344038596 335211256 /nfs/dbraw/zinc/21/12/56/335211256.db2.gz ACCVELDTKNZXIR-QGZVFWFLSA-N 2 2 323.415 4.302 20 0 DIADLP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3ccccc3)s1)CCC2 ZINC000344524231 335255033 /nfs/dbraw/zinc/25/50/33/335255033.db2.gz YATYHCRDDPRAQP-INIZCTEOSA-N 2 2 323.465 4.279 20 0 DIADLP Fc1ccccc1C=C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444597722 338476019 /nfs/dbraw/zinc/47/60/19/338476019.db2.gz OMTHNBIHDIFXPY-UHFFFAOYSA-N 2 2 316.464 4.181 20 0 DIADLP CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156277 335383167 /nfs/dbraw/zinc/38/31/67/335383167.db2.gz ANGFNXRPWHYKSW-ZFWWWQNUSA-N 2 2 321.515 4.040 20 0 DIADLP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156277 335383169 /nfs/dbraw/zinc/38/31/69/335383169.db2.gz ANGFNXRPWHYKSW-ZFWWWQNUSA-N 2 2 321.515 4.040 20 0 DIADLP Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346167006 335384253 /nfs/dbraw/zinc/38/42/53/335384253.db2.gz JUFYXWLGNJTLKN-MRXNPFEDSA-N 2 2 323.465 4.232 20 0 DIADLP Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346167006 335384254 /nfs/dbraw/zinc/38/42/54/335384254.db2.gz JUFYXWLGNJTLKN-MRXNPFEDSA-N 2 2 323.465 4.232 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3c3ccsc3)c2)c[nH+]1 ZINC000346169273 335384644 /nfs/dbraw/zinc/38/46/44/335384644.db2.gz IUICRFVFMJFAPX-MRXNPFEDSA-N 2 2 315.467 4.332 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3c3ccsc3)c2)c[nH+]1 ZINC000346169273 335384645 /nfs/dbraw/zinc/38/46/45/335384645.db2.gz IUICRFVFMJFAPX-MRXNPFEDSA-N 2 2 315.467 4.332 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)c2)c[nH+]1 ZINC000346224689 335386081 /nfs/dbraw/zinc/38/60/81/335386081.db2.gz QHELHPKCUNEJOQ-GOSISDBHSA-N 2 2 313.470 4.256 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)c2)c[nH+]1 ZINC000346224689 335386082 /nfs/dbraw/zinc/38/60/82/335386082.db2.gz QHELHPKCUNEJOQ-GOSISDBHSA-N 2 2 313.470 4.256 20 0 DIADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346538974 335419648 /nfs/dbraw/zinc/41/96/48/335419648.db2.gz YQPFMTQNWJQUCF-ZDUSSCGKSA-N 2 2 324.453 4.057 20 0 DIADLP C/C(Cl)=C\C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000528482874 335840215 /nfs/dbraw/zinc/84/02/15/335840215.db2.gz AOPSEFRHPOVORE-NTUHNPAUSA-N 2 2 303.837 4.124 20 0 DIADLP c1csc([C@H](C[NH2+][C@H]2CCc3ccccc32)[NH+]2CCCC2)c1 ZINC000532188424 335912828 /nfs/dbraw/zinc/91/28/28/335912828.db2.gz JLDKRDJHFMYNRK-ROUUACIJSA-N 2 2 312.482 4.162 20 0 DIADLP c1cn(Cc2ccc(NCc3csc4ccccc34)[nH+]c2)c[nH+]1 ZINC000351569074 336045432 /nfs/dbraw/zinc/04/54/32/336045432.db2.gz QVDGQQGQHZMKLJ-UHFFFAOYSA-N 2 2 320.421 4.153 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000352342704 336213411 /nfs/dbraw/zinc/21/34/11/336213411.db2.gz XGLSKJLEZVRWAB-UHFFFAOYSA-N 2 2 322.861 4.148 20 0 DIADLP C[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(Cl)c1 ZINC000526123861 336219240 /nfs/dbraw/zinc/21/92/40/336219240.db2.gz XRXNHTNUEDCDAO-ZDUSSCGKSA-N 2 2 303.837 4.046 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352543390 336223534 /nfs/dbraw/zinc/22/35/34/336223534.db2.gz DVJSDAPOIXJOFQ-UHFFFAOYSA-N 2 2 319.408 4.063 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352543390 336223535 /nfs/dbraw/zinc/22/35/35/336223535.db2.gz DVJSDAPOIXJOFQ-UHFFFAOYSA-N 2 2 319.408 4.063 20 0 DIADLP Clc1ccc([C@@H]2CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000352679425 336230011 /nfs/dbraw/zinc/23/00/11/336230011.db2.gz ZWJIMOCHEXMVCC-IBGZPJMESA-N 2 2 323.827 4.473 20 0 DIADLP Clc1ccc([C@@H]2CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000352679425 336230012 /nfs/dbraw/zinc/23/00/12/336230012.db2.gz ZWJIMOCHEXMVCC-IBGZPJMESA-N 2 2 323.827 4.473 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000352761722 336233473 /nfs/dbraw/zinc/23/34/73/336233473.db2.gz YRWQLJJYAPKFBB-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352812791 336246489 /nfs/dbraw/zinc/24/64/89/336246489.db2.gz IEKSKGGHASPYKN-HNNXBMFYSA-N 2 2 323.893 4.099 20 0 DIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000532448958 336246722 /nfs/dbraw/zinc/24/67/22/336246722.db2.gz DQIPWQAEXBGKPZ-INIZCTEOSA-N 2 2 321.852 4.066 20 0 DIADLP C[C@@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000532516363 336253320 /nfs/dbraw/zinc/25/33/20/336253320.db2.gz YOVSETYMYDJLCQ-KRWDZBQOSA-N 2 2 305.425 4.108 20 0 DIADLP C[C@@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000532516363 336253321 /nfs/dbraw/zinc/25/33/21/336253321.db2.gz YOVSETYMYDJLCQ-KRWDZBQOSA-N 2 2 305.425 4.108 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC3(CCCC3)CC1)CCC2 ZINC000352846140 336276685 /nfs/dbraw/zinc/27/66/85/336276685.db2.gz RSVYGOUBGQAFRE-INIZCTEOSA-N 2 2 301.478 4.162 20 0 DIADLP Clc1ccc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000352852939 336279787 /nfs/dbraw/zinc/27/97/87/336279787.db2.gz JMVLSNWXYBXHPP-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000352853997 336280458 /nfs/dbraw/zinc/28/04/58/336280458.db2.gz QSXHYMVBGAAVMA-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000481952373 336280537 /nfs/dbraw/zinc/28/05/37/336280537.db2.gz URMDIGAWBDRDSK-WBVHZDCISA-N 2 2 302.487 4.318 20 0 DIADLP Cc1cc(NCc2cn3c(cccc3C)[nH+]2)c2ccccc2[nH+]1 ZINC000301198540 336294558 /nfs/dbraw/zinc/29/45/58/336294558.db2.gz LGZQMZRCIZOUOK-UHFFFAOYSA-N 2 2 302.381 4.111 20 0 DIADLP CC[N@H+](C)Cc1cccc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000301231719 336295983 /nfs/dbraw/zinc/29/59/83/336295983.db2.gz JRFLCHWDMNUBIQ-UHFFFAOYSA-N 2 2 305.425 4.299 20 0 DIADLP CC[N@@H+](C)Cc1cccc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000301231719 336295984 /nfs/dbraw/zinc/29/59/84/336295984.db2.gz JRFLCHWDMNUBIQ-UHFFFAOYSA-N 2 2 305.425 4.299 20 0 DIADLP Cc1cc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)nc(C(C)C)[nH+]1 ZINC000301457652 336307976 /nfs/dbraw/zinc/30/79/76/336307976.db2.gz IBBMPBQHZZPWSB-OAHLLOKOSA-N 2 2 321.428 4.267 20 0 DIADLP Fc1ccc2c(NCCCc3[nH]c4ccccc4[nH+]3)cc[nH+]c2c1 ZINC000301521338 336312130 /nfs/dbraw/zinc/31/21/30/336312130.db2.gz FUBUAGSATYWISF-UHFFFAOYSA-N 2 2 320.371 4.295 20 0 DIADLP CC(C)c1cc(NC2CC[NH+](C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301892576 336336542 /nfs/dbraw/zinc/33/65/42/336336542.db2.gz VXDIOKQKTCJUOB-UHFFFAOYSA-N 2 2 318.509 4.398 20 0 DIADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]CC2CCCCC2)c[nH+]1 ZINC000514635033 336386964 /nfs/dbraw/zinc/38/69/64/336386964.db2.gz PWUSQPIOKSUZRX-VQTJNVASSA-N 2 2 309.457 4.282 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000353940554 336450228 /nfs/dbraw/zinc/45/02/28/336450228.db2.gz CKQKMHNBWZZHGE-OAQYLSRUSA-N 2 2 317.436 4.097 20 0 DIADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c[nH+]1 ZINC000354181803 336462721 /nfs/dbraw/zinc/46/27/21/336462721.db2.gz NLBXFIISHAOUEM-NHCUHLMSSA-N 2 2 324.468 4.080 20 0 DIADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)cc1F ZINC000354458451 336471294 /nfs/dbraw/zinc/47/12/94/336471294.db2.gz GFIDZXLTSDJRAU-SFHVURJKSA-N 2 2 304.384 4.342 20 0 DIADLP CCCC[NH+]1CCC(Nc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000354575384 336475442 /nfs/dbraw/zinc/47/54/42/336475442.db2.gz WHPSKTZBFJWKAM-UHFFFAOYSA-N 2 2 301.409 4.050 20 0 DIADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccsc2)CC1 ZINC000355563512 336514429 /nfs/dbraw/zinc/51/44/29/336514429.db2.gz JTCQJWUNNFRZIY-UHFFFAOYSA-N 2 2 311.454 4.243 20 0 DIADLP CSC1(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC1 ZINC000356180498 336539550 /nfs/dbraw/zinc/53/95/50/336539550.db2.gz ZUPNSPHNZCQNQU-SFHVURJKSA-N 2 2 318.530 4.007 20 0 DIADLP C[C@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000358223176 336617797 /nfs/dbraw/zinc/61/77/97/336617797.db2.gz OZFICWTUDXRNOV-HNAYVOBHSA-N 2 2 305.425 4.105 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360079867 336700840 /nfs/dbraw/zinc/70/08/40/336700840.db2.gz USACENLPPJSHKW-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP CC1(C)CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000360836823 336723692 /nfs/dbraw/zinc/72/36/92/336723692.db2.gz NIZMLLPZQYTCNI-LJQANCHMSA-N 2 2 323.484 4.164 20 0 DIADLP CC1(C)CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000360836810 336723772 /nfs/dbraw/zinc/72/37/72/336723772.db2.gz NIZMLLPZQYTCNI-IBGZPJMESA-N 2 2 323.484 4.164 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)c[nH+]1 ZINC000361481537 336758307 /nfs/dbraw/zinc/75/83/07/336758307.db2.gz OCRGTUALJRJASG-OAQYLSRUSA-N 2 2 317.436 4.430 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)s1 ZINC000361482683 336758493 /nfs/dbraw/zinc/75/84/93/336758493.db2.gz AXXDBYKGLSNQEX-CQSZACIVSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CC(C)(C)c3ccccc31)CCC2 ZINC000361661811 336767701 /nfs/dbraw/zinc/76/77/01/336767701.db2.gz HDJGTDANXHJDKC-CRAIPNDOSA-N 2 2 309.457 4.081 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CC(C)(C)c3ccccc31)CCC2 ZINC000361661813 336767719 /nfs/dbraw/zinc/76/77/19/336767719.db2.gz HDJGTDANXHJDKC-QAPCUYQASA-N 2 2 309.457 4.081 20 0 DIADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1F ZINC000375266228 337006777 /nfs/dbraw/zinc/00/67/77/337006777.db2.gz LFZGCPMFAJYRAH-HNNXBMFYSA-N 2 2 321.827 4.253 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000377617533 337056378 /nfs/dbraw/zinc/05/63/78/337056378.db2.gz RYQUWGGIVYOSBE-HXUWFJFHSA-N 2 2 306.409 4.295 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000377964965 337064537 /nfs/dbraw/zinc/06/45/37/337064537.db2.gz WTRSDKVGTNRACW-ZBFHGGJFSA-N 2 2 315.486 4.142 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106287 337198778 /nfs/dbraw/zinc/19/87/78/337198778.db2.gz IXKGSZIKSDRONL-JXFKEZNVSA-N 2 2 306.453 4.241 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106287 337198779 /nfs/dbraw/zinc/19/87/79/337198779.db2.gz IXKGSZIKSDRONL-JXFKEZNVSA-N 2 2 306.453 4.241 20 0 DIADLP COCCCC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000583202059 337268561 /nfs/dbraw/zinc/26/85/61/337268561.db2.gz NMHAQWJIGCGKDJ-HXUWFJFHSA-N 2 2 312.457 4.080 20 0 DIADLP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000583209795 337271838 /nfs/dbraw/zinc/27/18/38/337271838.db2.gz JAOGQEOFTABHST-UHFFFAOYSA-N 2 2 306.881 4.084 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000191605874 337297822 /nfs/dbraw/zinc/29/78/22/337297822.db2.gz IRMTYVKHHDAHQT-HNNXBMFYSA-N 2 2 320.374 4.141 20 0 DIADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000321985553 337309493 /nfs/dbraw/zinc/30/94/93/337309493.db2.gz JZFBNLHCVPMYDP-GDIGMMSISA-N 2 2 310.441 4.269 20 0 DIADLP COc1ccccc1[C@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000583838953 337340709 /nfs/dbraw/zinc/34/07/09/337340709.db2.gz MVQDEVGIFRRPSA-LJQANCHMSA-N 2 2 310.441 4.168 20 0 DIADLP COc1ccccc1[C@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000583838953 337340710 /nfs/dbraw/zinc/34/07/10/337340710.db2.gz MVQDEVGIFRRPSA-LJQANCHMSA-N 2 2 310.441 4.168 20 0 DIADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000583877819 337369180 /nfs/dbraw/zinc/36/91/80/337369180.db2.gz ZEKGIMOTGCDJMU-SJLPKXTDSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cccc(Cl)c3Cl)n2c1 ZINC000532934631 337393382 /nfs/dbraw/zinc/39/33/82/337393382.db2.gz PRTQMFSXFLJJBE-UHFFFAOYSA-N 2 2 320.223 4.239 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H](CC(F)F)c3ccccc3)c[nH+]c12 ZINC000421376663 337528699 /nfs/dbraw/zinc/52/86/99/337528699.db2.gz RYPYQCHYAAEPJF-INIZCTEOSA-N 2 2 315.367 4.129 20 0 DIADLP COc1ccc([C@H]([NH2+]CCc2cc[nH+]cc2C)C(C)C)c(F)c1 ZINC000421832468 337651539 /nfs/dbraw/zinc/65/15/39/337651539.db2.gz HAAWHZWUVCZBJA-LJQANCHMSA-N 2 2 316.420 4.067 20 0 DIADLP c1ccc(Sc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)cc1 ZINC000422559428 337682700 /nfs/dbraw/zinc/68/27/00/337682700.db2.gz CUJWEEGRMSQLKC-UHFFFAOYSA-N 2 2 324.493 4.166 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000422869014 337689230 /nfs/dbraw/zinc/68/92/30/337689230.db2.gz WPRJIUPCGMZKTH-JKSUJKDBSA-N 2 2 324.321 4.079 20 0 DIADLP C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422935212 337692157 /nfs/dbraw/zinc/69/21/57/337692157.db2.gz DJBVQKOROLLLRP-XGWLTEMNSA-N 2 2 320.889 4.221 20 0 DIADLP C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422935210 337692173 /nfs/dbraw/zinc/69/21/73/337692173.db2.gz DJBVQKOROLLLRP-SRCQZFHVSA-N 2 2 320.889 4.221 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423398238 337715339 /nfs/dbraw/zinc/71/53/39/337715339.db2.gz OPMZYXXTRSDSME-PTRXPTGYSA-N 2 2 321.679 4.295 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035286283 337742756 /nfs/dbraw/zinc/74/27/56/337742756.db2.gz HELVBPNENWOCOF-LLVKDONJSA-N 2 2 319.861 4.410 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)[C@H]2CC23CC3)c(C)c1 ZINC000527875124 337771108 /nfs/dbraw/zinc/77/11/08/337771108.db2.gz KQPMFQDYMWEICB-QRQLOZEOSA-N 2 2 309.457 4.019 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000536998404 337860689 /nfs/dbraw/zinc/86/06/89/337860689.db2.gz UBJJFHPBEODDKH-FQEVSTJZSA-N 2 2 305.425 4.359 20 0 DIADLP Clc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)s1 ZINC000537110985 337892639 /nfs/dbraw/zinc/89/26/39/337892639.db2.gz BVLSJQJAQHBRIP-UHFFFAOYSA-N 2 2 319.301 4.019 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000515093880 337979111 /nfs/dbraw/zinc/97/91/11/337979111.db2.gz RWANTDZFRUEYJN-OAHLLOKOSA-N 2 2 318.848 4.033 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000516214777 338007558 /nfs/dbraw/zinc/00/75/58/338007558.db2.gz ZVOHIJZTROSNLA-XLIONFOSSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000516293111 338009954 /nfs/dbraw/zinc/00/99/54/338009954.db2.gz DOUUNCZZSHLPIN-UHFFFAOYSA-N 2 2 306.862 4.096 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000516293111 338009955 /nfs/dbraw/zinc/00/99/55/338009955.db2.gz DOUUNCZZSHLPIN-UHFFFAOYSA-N 2 2 306.862 4.096 20 0 DIADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000428366595 338048934 /nfs/dbraw/zinc/04/89/34/338048934.db2.gz XPUMBXQWJJCYIH-AWEZNQCLSA-N 2 2 324.428 4.143 20 0 DIADLP CC(C)(C)c1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000428466906 338053731 /nfs/dbraw/zinc/05/37/31/338053731.db2.gz WQOQKALHUNFIQG-KRWDZBQOSA-N 2 2 311.473 4.129 20 0 DIADLP CC(C)(C)c1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000428466906 338053732 /nfs/dbraw/zinc/05/37/32/338053732.db2.gz WQOQKALHUNFIQG-KRWDZBQOSA-N 2 2 311.473 4.129 20 0 DIADLP Cc1cccc2c1[nH+]cc(C)c2N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428691254 338058560 /nfs/dbraw/zinc/05/85/60/338058560.db2.gz MSDORJRKEAIFIX-UHFFFAOYSA-N 2 2 320.440 4.021 20 0 DIADLP CC(C)[NH+](CCC[NH2+]Cc1nc2ccc(F)cc2s1)C(C)C ZINC000428867948 338063444 /nfs/dbraw/zinc/06/34/44/338063444.db2.gz RIZKPIVLJYEJRG-UHFFFAOYSA-N 2 2 323.481 4.034 20 0 DIADLP COC1(C[C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000429527784 338083069 /nfs/dbraw/zinc/08/30/69/338083069.db2.gz NJVFURQTYYABHX-DLBZAZTESA-N 2 2 318.505 4.053 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543374 338083642 /nfs/dbraw/zinc/08/36/42/338083642.db2.gz UGXXNOIPQPEPNL-TZMCWYRMSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543374 338083643 /nfs/dbraw/zinc/08/36/43/338083643.db2.gz UGXXNOIPQPEPNL-TZMCWYRMSA-N 2 2 315.288 4.471 20 0 DIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000429550681 338083676 /nfs/dbraw/zinc/08/36/76/338083676.db2.gz SGSNUBWJSOPUSF-ZDUSSCGKSA-N 2 2 322.905 4.471 20 0 DIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000429550681 338083677 /nfs/dbraw/zinc/08/36/77/338083677.db2.gz SGSNUBWJSOPUSF-ZDUSSCGKSA-N 2 2 322.905 4.471 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432247318 338150660 /nfs/dbraw/zinc/15/06/60/338150660.db2.gz SFTDDHKQTKXEFG-UHFFFAOYSA-N 2 2 319.251 4.095 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432753964 338166523 /nfs/dbraw/zinc/16/65/23/338166523.db2.gz HJKZGFSALZHMLN-CMPLNLGQSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432753964 338166524 /nfs/dbraw/zinc/16/65/24/338166524.db2.gz HJKZGFSALZHMLN-CMPLNLGQSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753964 338166525 /nfs/dbraw/zinc/16/65/25/338166525.db2.gz HJKZGFSALZHMLN-CMPLNLGQSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753964 338166526 /nfs/dbraw/zinc/16/65/26/338166526.db2.gz HJKZGFSALZHMLN-CMPLNLGQSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432753966 338166761 /nfs/dbraw/zinc/16/67/61/338166761.db2.gz HJKZGFSALZHMLN-PWSUYJOCSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432753966 338166762 /nfs/dbraw/zinc/16/67/62/338166762.db2.gz HJKZGFSALZHMLN-PWSUYJOCSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753966 338166763 /nfs/dbraw/zinc/16/67/63/338166763.db2.gz HJKZGFSALZHMLN-PWSUYJOCSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753966 338166764 /nfs/dbraw/zinc/16/67/64/338166764.db2.gz HJKZGFSALZHMLN-PWSUYJOCSA-N 2 2 319.251 4.047 20 0 DIADLP Clc1cccc([C@H]2C[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c1 ZINC000435734398 338246755 /nfs/dbraw/zinc/24/67/55/338246755.db2.gz ZKKYVRFAXNLINI-KOMQPUFPSA-N 2 2 311.816 4.024 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000436247236 338263397 /nfs/dbraw/zinc/26/33/97/338263397.db2.gz NZPGKYYZOOBDAJ-WOJBJXKFSA-N 2 2 317.436 4.298 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000436247234 338263422 /nfs/dbraw/zinc/26/34/22/338263422.db2.gz NZPGKYYZOOBDAJ-UXHICEINSA-N 2 2 317.436 4.298 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000436285631 338266037 /nfs/dbraw/zinc/26/60/37/338266037.db2.gz FNRRRFGLLFYJHA-AZUAARDMSA-N 2 2 317.436 4.298 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000436285633 338266071 /nfs/dbraw/zinc/26/60/71/338266071.db2.gz FNRRRFGLLFYJHA-ICSRJNTNSA-N 2 2 317.436 4.298 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000436469701 338273342 /nfs/dbraw/zinc/27/33/42/338273342.db2.gz DXEJIKGWVPWZQK-DMKPSLHHSA-N 2 2 315.505 4.021 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000437027392 338298291 /nfs/dbraw/zinc/29/82/91/338298291.db2.gz SKNNWAFPLJJCQQ-GUXCAODWSA-N 2 2 314.448 4.038 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000437027393 338298341 /nfs/dbraw/zinc/29/83/41/338298341.db2.gz SKNNWAFPLJJCQQ-JXXFODFXSA-N 2 2 314.448 4.038 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000437027391 338298362 /nfs/dbraw/zinc/29/83/62/338298362.db2.gz SKNNWAFPLJJCQQ-GQIGUUNPSA-N 2 2 314.448 4.038 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592881 338315376 /nfs/dbraw/zinc/31/53/76/338315376.db2.gz RVQPCCAJDVETTP-KPFFTGBYSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592881 338315377 /nfs/dbraw/zinc/31/53/77/338315377.db2.gz RVQPCCAJDVETTP-KPFFTGBYSA-N 2 2 309.457 4.100 20 0 DIADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000438087907 338330604 /nfs/dbraw/zinc/33/06/04/338330604.db2.gz ZPWODZJODZSUQJ-LSDHHAIUSA-N 2 2 323.362 4.083 20 0 DIADLP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)cc1 ZINC000439482896 338371193 /nfs/dbraw/zinc/37/11/93/338371193.db2.gz ZIHWYLBRAKIYPN-UHFFFAOYSA-N 2 2 323.440 4.230 20 0 DIADLP CC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449405602 338621593 /nfs/dbraw/zinc/62/15/93/338621593.db2.gz MLSITQVFJOSYTO-GJZGRUSLSA-N 2 2 320.443 4.209 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449433156 338623653 /nfs/dbraw/zinc/62/36/53/338623653.db2.gz LAHILTXKTLBOPS-HOCLYGCPSA-N 2 2 314.395 4.423 20 0 DIADLP C[C@H](c1ccc2ccccc2c1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459348550 339023590 /nfs/dbraw/zinc/02/35/90/339023590.db2.gz YVOVDIGDVCTHGI-MRXNPFEDSA-N 2 2 319.452 4.341 20 0 DIADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459348550 339023591 /nfs/dbraw/zinc/02/35/91/339023591.db2.gz YVOVDIGDVCTHGI-MRXNPFEDSA-N 2 2 319.452 4.341 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CC3(CCC3)C2)c(C)c1 ZINC000459455951 339030129 /nfs/dbraw/zinc/03/01/29/339030129.db2.gz WGFDHJFVWOPXNE-LJQANCHMSA-N 2 2 309.457 4.164 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000459782465 339048316 /nfs/dbraw/zinc/04/83/16/339048316.db2.gz YZZJIEFYUXLQJO-MNEFBYGVSA-N 2 2 318.892 4.083 20 0 DIADLP Cc1ccc2c(C)cc(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)[nH+]c2c1 ZINC000460954041 339055940 /nfs/dbraw/zinc/05/59/40/339055940.db2.gz BFRURUSAKGBFSO-KXBFYZLASA-N 2 2 320.440 4.136 20 0 DIADLP Cc1ccc2c(C)cc(N3CCC[C@@H]([NH+]4CCCC4)CC3)[nH+]c2c1 ZINC000460962215 339055979 /nfs/dbraw/zinc/05/59/79/339055979.db2.gz XDMKFWKLNMWAEO-GOSISDBHSA-N 2 2 323.484 4.306 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC(C)(C)C)CC1 ZINC000462109881 339072147 /nfs/dbraw/zinc/07/21/47/339072147.db2.gz BQZPQNWXALFWRK-UHFFFAOYSA-N 2 2 318.505 4.136 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000462660315 339083483 /nfs/dbraw/zinc/08/34/83/339083483.db2.gz RMRSGVSHZIAZNA-BRWVUGGUSA-N 2 2 306.519 4.299 20 0 DIADLP C[C@H]1CC[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000462660316 339083501 /nfs/dbraw/zinc/08/35/01/339083501.db2.gz RMRSGVSHZIAZNA-GVDBMIGSSA-N 2 2 306.519 4.299 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000462663129 339083665 /nfs/dbraw/zinc/08/36/65/339083665.db2.gz ZGRHTEXVJCZZIO-IXDOHACOSA-N 2 2 306.519 4.443 20 0 DIADLP Cc1cc(C)cc(-c2ccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)cc2)c1 ZINC000462676164 339083839 /nfs/dbraw/zinc/08/38/39/339083839.db2.gz NKOQKNJMVYACHA-GOSISDBHSA-N 2 2 319.452 4.345 20 0 DIADLP Cc1cccn2c(C[NH2+]C3CCC(c4ccccc4)CC3)c[nH+]c12 ZINC000462677833 339083844 /nfs/dbraw/zinc/08/38/44/339083844.db2.gz JEJQIMQHVAKONM-UHFFFAOYSA-N 2 2 319.452 4.459 20 0 DIADLP Cc1cccn2c(C[NH2+]CC(C)(C)Cc3ccccc3)c[nH+]c12 ZINC000462740633 339086369 /nfs/dbraw/zinc/08/63/69/339086369.db2.gz CCUSDKURZVJSHW-UHFFFAOYSA-N 2 2 307.441 4.001 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000462772485 339087889 /nfs/dbraw/zinc/08/78/89/339087889.db2.gz AJWFNAQNQAWQPJ-GOSISDBHSA-N 2 2 307.441 4.144 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847331 339094083 /nfs/dbraw/zinc/09/40/83/339094083.db2.gz YWMKPCBYEKMXHC-ZJNRKIDTSA-N 2 2 302.849 4.094 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847331 339094084 /nfs/dbraw/zinc/09/40/84/339094084.db2.gz YWMKPCBYEKMXHC-ZJNRKIDTSA-N 2 2 302.849 4.094 20 0 DIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC(C)(C)[NH+](C)C ZINC000462896371 339096566 /nfs/dbraw/zinc/09/65/66/339096566.db2.gz NUEKFKNFSHFBRU-OAHLLOKOSA-N 2 2 315.505 4.154 20 0 DIADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000463028450 339101547 /nfs/dbraw/zinc/10/15/47/339101547.db2.gz ASQAZSVZLQPGDT-LPHOPBHVSA-N 2 2 313.445 4.106 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCO[C@H](C(C)C)C3)cc2)c1C ZINC000463035386 339102231 /nfs/dbraw/zinc/10/22/31/339102231.db2.gz HIRMYIVFAFJVCI-HKUYNNGSSA-N 2 2 313.445 4.105 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1C ZINC000463239676 339111204 /nfs/dbraw/zinc/11/12/04/339111204.db2.gz ZKSITHOBVAFFIS-RBSFLKMASA-N 2 2 320.443 4.065 20 0 DIADLP CC(C)=CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463280410 339113057 /nfs/dbraw/zinc/11/30/57/339113057.db2.gz MDQGBIFCWWZSRD-UHFFFAOYSA-N 2 2 306.881 4.250 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463283071 339113311 /nfs/dbraw/zinc/11/33/11/339113311.db2.gz NULMTZYGBQLAAS-HNNXBMFYSA-N 2 2 320.908 4.473 20 0 DIADLP CC[N@H+](CC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808241 339154826 /nfs/dbraw/zinc/15/48/26/339154826.db2.gz KGHKDGNVSHLZOI-UHFFFAOYSA-N 2 2 315.505 4.200 20 0 DIADLP CC[N@@H+](CC1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808241 339154827 /nfs/dbraw/zinc/15/48/27/339154827.db2.gz KGHKDGNVSHLZOI-UHFFFAOYSA-N 2 2 315.505 4.200 20 0 DIADLP C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000466358994 339200584 /nfs/dbraw/zinc/20/05/84/339200584.db2.gz HGXIIPDGWMPHBY-FHERZECASA-N 2 2 320.443 4.065 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C2CC(c3ccccc3)C2)n1-c1ccccc1 ZINC000466420693 339203795 /nfs/dbraw/zinc/20/37/95/339203795.db2.gz FEWPFWQJTXKOAK-UHFFFAOYSA-N 2 2 317.436 4.217 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCC1CCCCC1)CCC2 ZINC000468550471 339265997 /nfs/dbraw/zinc/26/59/97/339265997.db2.gz AJLPQLLFBLGXQM-QAPCUYQASA-N 2 2 303.494 4.408 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCC2CCCCC2)CC1 ZINC000468550950 339266006 /nfs/dbraw/zinc/26/60/06/339266006.db2.gz BLLIEEMLIGRCFK-KRWDZBQOSA-N 2 2 324.553 4.214 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000468553513 339266087 /nfs/dbraw/zinc/26/60/87/339266087.db2.gz KPYFAVFGHXARJG-PKOBYXMFSA-N 2 2 324.553 4.070 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1)CCC2 ZINC000468552282 339266146 /nfs/dbraw/zinc/26/61/46/339266146.db2.gz GVORCTYWAYSDJZ-SLFFLAALSA-N 2 2 323.484 4.303 20 0 DIADLP COc1ccc([C@@H](C[NH2+][C@H](C)CCC2CC2)[NH+]2CCCC2)cc1 ZINC000469775426 339298955 /nfs/dbraw/zinc/29/89/55/339298955.db2.gz LZHTUBFRPMVTKD-OXQOHEQNSA-N 2 2 316.489 4.000 20 0 DIADLP Cc1ccc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000469788203 339300037 /nfs/dbraw/zinc/30/00/37/339300037.db2.gz SYTAADYCWHDOOZ-QGZVFWFLSA-N 2 2 305.425 4.074 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470971547 339333483 /nfs/dbraw/zinc/33/34/83/339333483.db2.gz ZEXIVTFLUSDFLU-HIFRSBDPSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470971547 339333484 /nfs/dbraw/zinc/33/34/84/339333484.db2.gz ZEXIVTFLUSDFLU-HIFRSBDPSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470971547 339333485 /nfs/dbraw/zinc/33/34/85/339333485.db2.gz ZEXIVTFLUSDFLU-HIFRSBDPSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470971547 339333486 /nfs/dbraw/zinc/33/34/86/339333486.db2.gz ZEXIVTFLUSDFLU-HIFRSBDPSA-N 2 2 324.871 4.204 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCc3cccc4ccccc43)C2)[nH]1 ZINC000471169077 339339310 /nfs/dbraw/zinc/33/93/10/339339310.db2.gz NDZLCHFWAANJGJ-LJQANCHMSA-N 2 2 319.452 4.375 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)[nH]1 ZINC000471169077 339339311 /nfs/dbraw/zinc/33/93/11/339339311.db2.gz NDZLCHFWAANJGJ-LJQANCHMSA-N 2 2 319.452 4.375 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000471610627 339349418 /nfs/dbraw/zinc/34/94/18/339349418.db2.gz OGQSOCNBHPLPFG-RZQQEMMASA-N 2 2 312.457 4.037 20 0 DIADLP CSc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472037411 339359882 /nfs/dbraw/zinc/35/98/82/339359882.db2.gz JMKZNFVHYWIHFN-KXBFYZLASA-N 2 2 314.498 4.190 20 0 DIADLP COc1ccc([C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C2CC2)cc1 ZINC000474477364 339416741 /nfs/dbraw/zinc/41/67/41/339416741.db2.gz MKIVFHIZBKKPGJ-HXUWFJFHSA-N 2 2 310.441 4.072 20 0 DIADLP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000474480155 339416961 /nfs/dbraw/zinc/41/69/61/339416961.db2.gz ZHNYZIYYXNQAOV-PMACEKPBSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)c[nH+]1 ZINC000474608596 339419689 /nfs/dbraw/zinc/41/96/89/339419689.db2.gz SGTJITVXEOLXGY-GOSISDBHSA-N 2 2 300.833 4.253 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)c[nH+]1 ZINC000474608598 339419693 /nfs/dbraw/zinc/41/96/93/339419693.db2.gz SGTJITVXEOLXGY-SFHVURJKSA-N 2 2 300.833 4.253 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2csc(-c3ccccc3)n2)c[nH+]1 ZINC000474627056 339420769 /nfs/dbraw/zinc/42/07/69/339420769.db2.gz HTWUSCCATXPXAL-UHFFFAOYSA-N 2 2 323.465 4.236 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474797436 339426386 /nfs/dbraw/zinc/42/63/86/339426386.db2.gz RWCKGEDKOYYFDJ-ROUUACIJSA-N 2 2 324.553 4.070 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)c[nH+]1 ZINC000474799201 339426722 /nfs/dbraw/zinc/42/67/22/339426722.db2.gz CBEJLJABCOPGDF-HXUWFJFHSA-N 2 2 314.448 4.319 20 0 DIADLP Clc1ccc(Cl)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475575264 339456237 /nfs/dbraw/zinc/45/62/37/339456237.db2.gz YUFDQPBYEYKMOO-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP Clc1cc(Cl)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475584246 339456515 /nfs/dbraw/zinc/45/65/15/339456515.db2.gz YHMBEUGTDZBTAV-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCCC2)cc1 ZINC000479297802 339530664 /nfs/dbraw/zinc/53/06/64/339530664.db2.gz XDWFJMGKXDUECM-CTNGQTDRSA-N 2 2 323.484 4.418 20 0 DIADLP Cc1ccc2cc([C@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)oc2c1 ZINC000479509552 339538556 /nfs/dbraw/zinc/53/85/56/339538556.db2.gz JQPVLWSZFCJBIH-ZLPCBKJTSA-N 2 2 312.457 4.409 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000480065502 339557324 /nfs/dbraw/zinc/55/73/24/339557324.db2.gz BUVMMZSKCCYQGM-SFHVURJKSA-N 2 2 323.415 4.151 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000480762682 339586272 /nfs/dbraw/zinc/58/62/72/339586272.db2.gz KTDMYERLOHUFDA-DLBZAZTESA-N 2 2 321.424 4.415 20 0 DIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000480770929 339586547 /nfs/dbraw/zinc/58/65/47/339586547.db2.gz QMLJNCDOXUDOIA-ZFWWWQNUSA-N 2 2 323.893 4.086 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(C)c1 ZINC000481416669 339603789 /nfs/dbraw/zinc/60/37/89/339603789.db2.gz IBDBAFATPAUPES-MRXNPFEDSA-N 2 2 307.441 4.463 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)[NH+](C)C)cc1 ZINC000481914741 339616514 /nfs/dbraw/zinc/61/65/14/339616514.db2.gz BBMNHTGDJSOEAT-NHCUHLMSSA-N 2 2 323.484 4.124 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c[nH+]1 ZINC000482461746 339632370 /nfs/dbraw/zinc/63/23/70/339632370.db2.gz TVDGFZIVQPOYFO-MSOLQXFVSA-N 2 2 312.432 4.388 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc2c(s1)CCC2 ZINC000483138827 339653601 /nfs/dbraw/zinc/65/36/01/339653601.db2.gz DGHRZILSPRBTQS-AWEZNQCLSA-N 2 2 323.465 4.273 20 0 DIADLP CCCC[C@H](CCC)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000484295880 339684182 /nfs/dbraw/zinc/68/41/82/339684182.db2.gz OQMQNIMVLCCZTD-SFHVURJKSA-N 2 2 317.521 4.242 20 0 DIADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000484309238 339684588 /nfs/dbraw/zinc/68/45/88/339684588.db2.gz NWNJQJFYGUNPHW-GFCCVEGCSA-N 2 2 309.866 4.339 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000500032410 340048992 /nfs/dbraw/zinc/04/89/92/340048992.db2.gz AOXUYWRCYBJARC-KPFFTGBYSA-N 2 2 316.489 4.000 20 0 DIADLP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000500041071 340049179 /nfs/dbraw/zinc/04/91/79/340049179.db2.gz QKAGDEITWQTOIH-HQRMLTQVSA-N 2 2 316.489 4.000 20 0 DIADLP CC[C@@H]1C[C@]1([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C)c1 ZINC000500538975 340061768 /nfs/dbraw/zinc/06/17/68/340061768.db2.gz VXZCDHOFLCESEA-OXQOHEQNSA-N 2 2 305.425 4.058 20 0 DIADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC000500618235 340063913 /nfs/dbraw/zinc/06/39/13/340063913.db2.gz NXHVCGCQASUNTH-UXHICEINSA-N 2 2 323.484 4.177 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318917 340099554 /nfs/dbraw/zinc/09/95/54/340099554.db2.gz QJDJBGJWFYKRNV-IEBWSBKVSA-N 2 2 323.484 4.203 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318917 340099555 /nfs/dbraw/zinc/09/95/55/340099555.db2.gz QJDJBGJWFYKRNV-IEBWSBKVSA-N 2 2 323.484 4.203 20 0 DIADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320864 340099715 /nfs/dbraw/zinc/09/97/15/340099715.db2.gz NDJGXQCXCZUUEL-SFHVURJKSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320864 340099716 /nfs/dbraw/zinc/09/97/16/340099716.db2.gz NDJGXQCXCZUUEL-SFHVURJKSA-N 2 2 323.484 4.216 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000502323896 340099803 /nfs/dbraw/zinc/09/98/03/340099803.db2.gz YQQBHKCMPGNVFE-OAHLLOKOSA-N 2 2 300.471 4.395 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000502343982 340100324 /nfs/dbraw/zinc/10/03/24/340100324.db2.gz GRHLNKCIWDOBRI-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000502343982 340100325 /nfs/dbraw/zinc/10/03/25/340100325.db2.gz GRHLNKCIWDOBRI-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000502344620 340100351 /nfs/dbraw/zinc/10/03/51/340100351.db2.gz WDABVYRGXNTNGQ-KDOFPFPSSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000502508105 340106333 /nfs/dbraw/zinc/10/63/33/340106333.db2.gz JWAPAKCFXIOTAG-CABCVRRESA-N 2 2 319.399 4.348 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000502685073 340110516 /nfs/dbraw/zinc/11/05/16/340110516.db2.gz DMQAYQQBQOYECD-GOSISDBHSA-N 2 2 318.892 4.227 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC12CCC2)c1cccc(OC)c1 ZINC000502701479 340111373 /nfs/dbraw/zinc/11/13/73/340111373.db2.gz VJWNPRDFKGRBEK-RBUKOAKNSA-N 2 2 316.489 4.000 20 0 DIADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000502707339 340111607 /nfs/dbraw/zinc/11/16/07/340111607.db2.gz UVCGKULDUJMCJW-OAHLLOKOSA-N 2 2 320.527 4.296 20 0 DIADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000502707339 340111608 /nfs/dbraw/zinc/11/16/08/340111608.db2.gz UVCGKULDUJMCJW-OAHLLOKOSA-N 2 2 320.527 4.296 20 0 DIADLP C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070827 340120272 /nfs/dbraw/zinc/12/02/72/340120272.db2.gz DXYOLUXXMUBUNU-UWJYYQICSA-N 2 2 319.452 4.162 20 0 DIADLP C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070827 340120273 /nfs/dbraw/zinc/12/02/73/340120273.db2.gz DXYOLUXXMUBUNU-UWJYYQICSA-N 2 2 319.452 4.162 20 0 DIADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407881 340127517 /nfs/dbraw/zinc/12/75/17/340127517.db2.gz RKGGTAIBFUFIIP-IRXDYDNUSA-N 2 2 303.494 4.081 20 0 DIADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407881 340127518 /nfs/dbraw/zinc/12/75/18/340127518.db2.gz RKGGTAIBFUFIIP-IRXDYDNUSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000503558403 340130471 /nfs/dbraw/zinc/13/04/71/340130471.db2.gz RSUKLXANUCQUAF-KXBFYZLASA-N 2 2 312.432 4.065 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000503558403 340130472 /nfs/dbraw/zinc/13/04/72/340130472.db2.gz RSUKLXANUCQUAF-KXBFYZLASA-N 2 2 312.432 4.065 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000503569025 340130850 /nfs/dbraw/zinc/13/08/50/340130850.db2.gz MPBYLFNRRRNQEV-UHFFFAOYSA-N 2 2 324.443 4.209 20 0 DIADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000504917419 340156133 /nfs/dbraw/zinc/15/61/33/340156133.db2.gz BOAHRJATMZNYOS-WMZOPIPTSA-N 2 2 309.457 4.420 20 0 DIADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507459038 340220522 /nfs/dbraw/zinc/22/05/22/340220522.db2.gz FHGCWMFSUJWHQB-ZFWWWQNUSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507459034 340220590 /nfs/dbraw/zinc/22/05/90/340220590.db2.gz FHGCWMFSUJWHQB-HIFRSBDPSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507465531 340220816 /nfs/dbraw/zinc/22/08/16/340220816.db2.gz BELPEVSSKRQONJ-GJZGRUSLSA-N 2 2 320.443 4.209 20 0 DIADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507463621 340220896 /nfs/dbraw/zinc/22/08/96/340220896.db2.gz UNQASALMIXLGDO-GDBMZVCRSA-N 2 2 320.443 4.352 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000507468433 340220951 /nfs/dbraw/zinc/22/09/51/340220951.db2.gz HGCBNUIDKCRQNZ-CYBMUJFWSA-N 2 2 320.424 4.206 20 0 DIADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1Cl ZINC000507615415 340226316 /nfs/dbraw/zinc/22/63/16/340226316.db2.gz ANLVYDSTQYFUSP-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000507808715 340232431 /nfs/dbraw/zinc/23/24/31/340232431.db2.gz BZIZNCVWVRMMLB-KRWDZBQOSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000507808715 340232432 /nfs/dbraw/zinc/23/24/32/340232432.db2.gz BZIZNCVWVRMMLB-KRWDZBQOSA-N 2 2 306.881 4.099 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000510585459 340303386 /nfs/dbraw/zinc/30/33/86/340303386.db2.gz VKUAZGKPQKKIPB-HXUWFJFHSA-N 2 2 316.464 4.153 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)[N@H+](C)Cc1ccccc1 ZINC000510715353 340307722 /nfs/dbraw/zinc/30/77/22/340307722.db2.gz NKGXVXKYRMQKTF-BHIYHBOVSA-N 2 2 306.469 4.015 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)[N@@H+](C)Cc1ccccc1 ZINC000510715353 340307723 /nfs/dbraw/zinc/30/77/23/340307723.db2.gz NKGXVXKYRMQKTF-BHIYHBOVSA-N 2 2 306.469 4.015 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)[N@H+](C)Cc1ccccc1 ZINC000510715355 340307765 /nfs/dbraw/zinc/30/77/65/340307765.db2.gz NKGXVXKYRMQKTF-NZSAHSFTSA-N 2 2 306.469 4.015 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)[N@@H+](C)Cc1ccccc1 ZINC000510715355 340307766 /nfs/dbraw/zinc/30/77/66/340307766.db2.gz NKGXVXKYRMQKTF-NZSAHSFTSA-N 2 2 306.469 4.015 20 0 DIADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000510740668 340309055 /nfs/dbraw/zinc/30/90/55/340309055.db2.gz VXVBRSCWHJESSM-YSIASYRMSA-N 2 2 318.480 4.332 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)[NH+](C)C)cc1 ZINC000510756916 340310006 /nfs/dbraw/zinc/31/00/06/340310006.db2.gz SUNNPHQRZOMELW-QRQLOZEOSA-N 2 2 306.469 4.106 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccsc1 ZINC000510926783 340314944 /nfs/dbraw/zinc/31/49/44/340314944.db2.gz FBNITIMBPOTUBK-MPGHIAIKSA-N 2 2 300.471 4.234 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccsc1 ZINC000510926783 340314945 /nfs/dbraw/zinc/31/49/45/340314945.db2.gz FBNITIMBPOTUBK-MPGHIAIKSA-N 2 2 300.471 4.234 20 0 DIADLP Clc1ccccc1C1CC([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000512126082 340349206 /nfs/dbraw/zinc/34/92/06/340349206.db2.gz YSXIOWDVFJNELJ-UHFFFAOYSA-N 2 2 315.848 4.073 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181165 340351298 /nfs/dbraw/zinc/35/12/98/340351298.db2.gz OMECPUFYPCYLOJ-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181165 340351299 /nfs/dbraw/zinc/35/12/99/340351299.db2.gz OMECPUFYPCYLOJ-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181165 340351300 /nfs/dbraw/zinc/35/13/00/340351300.db2.gz OMECPUFYPCYLOJ-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181165 340351301 /nfs/dbraw/zinc/35/13/01/340351301.db2.gz OMECPUFYPCYLOJ-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212687 340352657 /nfs/dbraw/zinc/35/26/57/340352657.db2.gz ODJDFDHNUKIKLC-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212687 340352658 /nfs/dbraw/zinc/35/26/58/340352658.db2.gz ODJDFDHNUKIKLC-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000512212687 340352659 /nfs/dbraw/zinc/35/26/59/340352659.db2.gz ODJDFDHNUKIKLC-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000512212687 340352660 /nfs/dbraw/zinc/35/26/60/340352660.db2.gz ODJDFDHNUKIKLC-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[N@H+](Cc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512579225 340367838 /nfs/dbraw/zinc/36/78/38/340367838.db2.gz UBEANHWFXWMLLM-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP C[N@@H+](Cc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512579225 340367839 /nfs/dbraw/zinc/36/78/39/340367839.db2.gz UBEANHWFXWMLLM-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP C[NH+](Cc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512579225 340367840 /nfs/dbraw/zinc/36/78/40/340367840.db2.gz UBEANHWFXWMLLM-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP C[NH+](Cc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512579225 340367841 /nfs/dbraw/zinc/36/78/41/340367841.db2.gz UBEANHWFXWMLLM-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP CC[C@@H](C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088125 340392723 /nfs/dbraw/zinc/39/27/23/340392723.db2.gz FDEWRRSCJDOCDB-AZUAARDMSA-N 2 2 300.490 4.131 20 0 DIADLP CC[C@@H](C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088125 340392724 /nfs/dbraw/zinc/39/27/24/340392724.db2.gz FDEWRRSCJDOCDB-AZUAARDMSA-N 2 2 300.490 4.131 20 0 DIADLP c1ccc2c(c1)SC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513207955 340397290 /nfs/dbraw/zinc/39/72/90/340397290.db2.gz JQVFPGKNYUMYIX-GOSISDBHSA-N 2 2 316.514 4.220 20 0 DIADLP CCC1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000513208351 340397297 /nfs/dbraw/zinc/39/72/97/340397297.db2.gz RRCBOGUWFJHKKY-UHFFFAOYSA-N 2 2 320.443 4.209 20 0 DIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2=CCCCCC2)CC1 ZINC000184576368 340493972 /nfs/dbraw/zinc/49/39/72/340493972.db2.gz DMMBQUDHOHNLFF-UHFFFAOYSA-N 2 2 318.427 4.273 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c2ccccc21 ZINC000185393840 340500682 /nfs/dbraw/zinc/50/06/82/340500682.db2.gz GWFYTYAMYYEOKS-AWEZNQCLSA-N 2 2 313.832 4.431 20 0 DIADLP CC(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000236623317 340663142 /nfs/dbraw/zinc/66/31/42/340663142.db2.gz XXBFPCSHXQEMFK-ROUUACIJSA-N 2 2 315.505 4.245 20 0 DIADLP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236786594 340665078 /nfs/dbraw/zinc/66/50/78/340665078.db2.gz KEECWEDOYYFQLL-NEWSRXKRSA-N 2 2 315.505 4.101 20 0 DIADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)C1CC(F)(F)C1)[NH+](C)C ZINC000529559550 340763254 /nfs/dbraw/zinc/76/32/54/340763254.db2.gz XTNHDXYRJIWWNK-CPUCHLNUSA-N 2 2 310.432 4.010 20 0 DIADLP CC(C)(C)C(Cn1cc[nH+]c1C1CC1)Cn1cc[nH+]c1C1CC1 ZINC000530128844 340780353 /nfs/dbraw/zinc/78/03/53/340780353.db2.gz DOTSLZXLSPRNTC-UHFFFAOYSA-N 2 2 312.461 4.197 20 0 DIADLP CC[C@@H](C)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000063312824 340797938 /nfs/dbraw/zinc/79/79/38/340797938.db2.gz BZTKGYJTAQZJIG-MRXNPFEDSA-N 2 2 323.440 4.110 20 0 DIADLP c1cn2c(cccc2C[NH2+]C2(c3ccccc3)CCCCC2)[nH+]1 ZINC000539853169 340906693 /nfs/dbraw/zinc/90/66/93/340906693.db2.gz DPDGCMHDGVIZFY-UHFFFAOYSA-N 2 2 305.425 4.284 20 0 DIADLP Clc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000540312780 340926249 /nfs/dbraw/zinc/92/62/49/340926249.db2.gz BVPHLTPUSVLEHI-GOSISDBHSA-N 2 2 315.848 4.278 20 0 DIADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133074 340996589 /nfs/dbraw/zinc/99/65/89/340996589.db2.gz NYWFYTKKFUPJQF-MRXNPFEDSA-N 2 2 315.436 4.276 20 0 DIADLP C[C@@H]1CC[N@H+](CCCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000542208777 341000283 /nfs/dbraw/zinc/00/02/83/341000283.db2.gz BLFRFDMFYFJEGO-CRAIPNDOSA-N 2 2 317.864 4.052 20 0 DIADLP C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000542208777 341000284 /nfs/dbraw/zinc/00/02/84/341000284.db2.gz BLFRFDMFYFJEGO-CRAIPNDOSA-N 2 2 317.864 4.052 20 0 DIADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394653 341041757 /nfs/dbraw/zinc/04/17/57/341041757.db2.gz XEJRMIRFRZJZMJ-CKEIUWERSA-N 2 2 301.459 4.087 20 0 DIADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394653 341041758 /nfs/dbraw/zinc/04/17/58/341041758.db2.gz XEJRMIRFRZJZMJ-CKEIUWERSA-N 2 2 301.459 4.087 20 0 DIADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397750 341042245 /nfs/dbraw/zinc/04/22/45/341042245.db2.gz DRBYAPJZWUYWNH-NVXWUHKLSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397750 341042246 /nfs/dbraw/zinc/04/22/46/341042246.db2.gz DRBYAPJZWUYWNH-NVXWUHKLSA-N 2 2 323.465 4.312 20 0 DIADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000544072444 341069169 /nfs/dbraw/zinc/06/91/69/341069169.db2.gz WNSHGTRZAXAJMW-SBHAEUEKSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000544072444 341069170 /nfs/dbraw/zinc/06/91/70/341069170.db2.gz WNSHGTRZAXAJMW-SBHAEUEKSA-N 2 2 314.517 4.265 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000545458567 341125854 /nfs/dbraw/zinc/12/58/54/341125854.db2.gz YWCMYQOLGHCBRJ-NUEKZKHPSA-N 2 2 314.395 4.143 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000545458567 341125855 /nfs/dbraw/zinc/12/58/55/341125855.db2.gz YWCMYQOLGHCBRJ-NUEKZKHPSA-N 2 2 314.395 4.143 20 0 DIADLP Cc1cc[nH+]cc1CCCNc1cc(C[NH+]2CCCC2)ccc1C ZINC000564297791 341149464 /nfs/dbraw/zinc/14/94/64/341149464.db2.gz DZOIFKDLSACDLF-UHFFFAOYSA-N 2 2 323.484 4.339 20 0 DIADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000546573566 341173210 /nfs/dbraw/zinc/17/32/10/341173210.db2.gz BPFZTBNYMIGEHY-SFHVURJKSA-N 2 2 321.468 4.051 20 0 DIADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000546573566 341173211 /nfs/dbraw/zinc/17/32/11/341173211.db2.gz BPFZTBNYMIGEHY-SFHVURJKSA-N 2 2 321.468 4.051 20 0 DIADLP CCC(CC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546606281 341174604 /nfs/dbraw/zinc/17/46/04/341174604.db2.gz UEJHGRJHNHCASJ-GUYCJALGSA-N 2 2 312.860 4.250 20 0 DIADLP CCC(CC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546606281 341174605 /nfs/dbraw/zinc/17/46/05/341174605.db2.gz UEJHGRJHNHCASJ-GUYCJALGSA-N 2 2 312.860 4.250 20 0 DIADLP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)Cn1cc[nH+]c1 ZINC000548752412 341272217 /nfs/dbraw/zinc/27/22/17/341272217.db2.gz WIAHMMUZKANTBF-CUDHKJQZSA-N 2 2 311.473 4.081 20 0 DIADLP c1ccc(NC2CC[NH+](CCSC3CCCCC3)CC2)[nH+]c1 ZINC000548783767 341275496 /nfs/dbraw/zinc/27/54/96/341275496.db2.gz QUFTWLSBEMSYSH-UHFFFAOYSA-N 2 2 319.518 4.024 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549145589 341287172 /nfs/dbraw/zinc/28/71/72/341287172.db2.gz CIULOEZIVRPSIB-VDGAXYAQSA-N 2 2 317.436 4.154 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245690472 341309911 /nfs/dbraw/zinc/30/99/11/341309911.db2.gz LQTPBLVERRKWIZ-CJNGLKHVSA-N 2 2 312.860 4.108 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245690472 341309912 /nfs/dbraw/zinc/30/99/12/341309912.db2.gz LQTPBLVERRKWIZ-CJNGLKHVSA-N 2 2 312.860 4.108 20 0 DIADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000551511726 341343331 /nfs/dbraw/zinc/34/33/31/341343331.db2.gz BZPSLNWSALOBLJ-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP Cc1ccccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000551511726 341343332 /nfs/dbraw/zinc/34/33/32/341343332.db2.gz BZPSLNWSALOBLJ-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)CCCC2 ZINC000551564331 341345659 /nfs/dbraw/zinc/34/56/59/341345659.db2.gz NKCPZHIUJUEEQQ-RTBURBONSA-N 2 2 309.457 4.035 20 0 DIADLP CC1(c2ccccc2)CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000551574493 341346132 /nfs/dbraw/zinc/34/61/32/341346132.db2.gz KATIGHKVPXTDJK-UHFFFAOYSA-N 2 2 323.484 4.210 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246637010 341354935 /nfs/dbraw/zinc/35/49/35/341354935.db2.gz RWAJTVZXSKQUQX-CKEIUWERSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246637010 341354936 /nfs/dbraw/zinc/35/49/36/341354936.db2.gz RWAJTVZXSKQUQX-CKEIUWERSA-N 2 2 303.837 4.181 20 0 DIADLP COc1cccc([C@@H](C[NH2+]C2CCC(C)CC2)[NH+]2CCCC2)c1 ZINC000551955912 341356044 /nfs/dbraw/zinc/35/60/44/341356044.db2.gz ADDBYYLSLBWGGM-OUNSHVDWSA-N 2 2 316.489 4.000 20 0 DIADLP Cn1c[nH+]c2cc(N[C@@H](c3[nH]cc[nH+]3)C3CCCCC3)ccc21 ZINC000552066697 341366976 /nfs/dbraw/zinc/36/69/76/341366976.db2.gz QJAZNIIIYTWPNY-QGZVFWFLSA-N 2 2 309.417 4.030 20 0 DIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000248446193 341377928 /nfs/dbraw/zinc/37/79/28/341377928.db2.gz CMMDNMQSRUYBHD-YLJYHZDGSA-N 2 2 312.457 4.079 20 0 DIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000248446193 341377929 /nfs/dbraw/zinc/37/79/29/341377929.db2.gz CMMDNMQSRUYBHD-YLJYHZDGSA-N 2 2 312.457 4.079 20 0 DIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000248913956 341390074 /nfs/dbraw/zinc/39/00/74/341390074.db2.gz CQCKCPQJYRDQPN-HZPDHXFCSA-N 2 2 323.550 4.285 20 0 DIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000248913956 341390075 /nfs/dbraw/zinc/39/00/75/341390075.db2.gz CQCKCPQJYRDQPN-HZPDHXFCSA-N 2 2 323.550 4.285 20 0 DIADLP CCC[NH+]1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000552908368 341408446 /nfs/dbraw/zinc/40/84/46/341408446.db2.gz VEGLRHIPQRWFSB-UHFFFAOYSA-N 2 2 303.837 4.175 20 0 DIADLP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000566720434 341566299 /nfs/dbraw/zinc/56/62/99/341566299.db2.gz CXNRSCLUFCOKRM-HOTGVXAUSA-N 2 2 303.494 4.021 20 0 DIADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000155726956 341612205 /nfs/dbraw/zinc/61/22/05/341612205.db2.gz OXSIDBDRPANLPB-HNNXBMFYSA-N 2 2 311.351 4.033 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000568403133 341670228 /nfs/dbraw/zinc/67/02/28/341670228.db2.gz KVHTZOMVEUQPHH-UHFFFAOYSA-N 2 2 316.395 4.270 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCCC1 ZINC000568496960 341673066 /nfs/dbraw/zinc/67/30/66/341673066.db2.gz PKEPGWQKVLVRFF-HXUWFJFHSA-N 2 2 311.473 4.380 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000177933348 341939875 /nfs/dbraw/zinc/93/98/75/341939875.db2.gz QTQKFXPFLOHKDB-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000474470949 517467771 /nfs/dbraw/zinc/46/77/71/517467771.db2.gz KRJJUCLDNLTKQN-UXHICEINSA-N 2 2 311.473 4.236 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000338342174 520625151 /nfs/dbraw/zinc/62/51/51/520625151.db2.gz HFDBEOUATQBRGR-MRXNPFEDSA-N 2 2 316.411 4.310 20 0 DIADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000157808384 520771988 /nfs/dbraw/zinc/77/19/88/520771988.db2.gz NMXCVGWCGDYACK-OAQYLSRUSA-N 2 2 323.484 4.177 20 0 DIADLP CCc1[nH+]c2cc(CNc3cccc(C)[nH+]3)ccc2n1C1CC1 ZINC000338490694 522487906 /nfs/dbraw/zinc/48/79/06/522487906.db2.gz YUBCPUUZBICNGP-UHFFFAOYSA-N 2 2 306.413 4.249 20 0 DIADLP CC[C@](C)([NH2+]CCCc1ccc(C)[nH+]c1)c1nc(C)cs1 ZINC000354514852 523488745 /nfs/dbraw/zinc/48/87/45/523488745.db2.gz RZOFGOHBGPPJIH-KRWDZBQOSA-N 2 2 303.475 4.003 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181426008 525293985 /nfs/dbraw/zinc/29/39/85/525293985.db2.gz WVJGPKCLWVCREC-LBPRGKRZSA-N 2 2 318.848 4.364 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000189826964 525324643 /nfs/dbraw/zinc/32/46/43/525324643.db2.gz MHJOMASXFYFGOV-UXHICEINSA-N 2 2 309.457 4.030 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C3CCC3)cc1)CCC2 ZINC000339288719 525937118 /nfs/dbraw/zinc/93/71/18/525937118.db2.gz XMJYIEZTYBBFFF-LJQANCHMSA-N 2 2 309.457 4.126 20 0 DIADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000337986824 526284302 /nfs/dbraw/zinc/28/43/02/526284302.db2.gz JDOHTJOANBDMLU-RDJZCZTQSA-N 2 2 319.399 4.019 20 0 DIADLP c1ccc2c(c1)cc[nH+]c2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046880 721966326 /nfs/dbraw/zinc/96/63/26/721966326.db2.gz PQOWGHPOXJWNGI-GOSISDBHSA-N 2 2 309.457 4.080 20 0 DIADLP CC(C)(C)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]c1 ZINC001165051151 721979019 /nfs/dbraw/zinc/97/90/19/721979019.db2.gz ZIUWXFWCYJDGRY-SFHVURJKSA-N 2 2 315.505 4.224 20 0 DIADLP C[NH+](C)CC1(C[NH2+]Cc2c(Cl)cccc2Cl)CCCC1 ZINC001201930329 1048394888 /nfs/dbraw/zinc/39/48/88/1048394888.db2.gz ZGVBJIWHJSCNPM-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC001167061657 1035679204 /nfs/dbraw/zinc/67/92/04/1035679204.db2.gz BSBAZMAWFVTHCW-IBGZPJMESA-N 2 2 322.537 4.065 20 0 DIADLP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CCC2)cc1 ZINC000119274105 1035752468 /nfs/dbraw/zinc/75/24/68/1035752468.db2.gz JXFAVNUCZTXMMT-OAQYLSRUSA-N 2 2 321.468 4.181 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155110106 1036128619 /nfs/dbraw/zinc/12/86/19/1036128619.db2.gz IEGGCIOOBBDOIG-VBKZILBWSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027399780 1036642259 /nfs/dbraw/zinc/64/22/59/1036642259.db2.gz XSYVJSOQVMCNFU-VCBZYWHSSA-N 2 2 321.424 4.440 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000683690037 1036706684 /nfs/dbraw/zinc/70/66/84/1036706684.db2.gz CSPGGCKMOSMSBL-HNAYVOBHSA-N 2 2 323.440 4.265 20 0 DIADLP C[C@H]1CCCC[C@@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100157 1037435560 /nfs/dbraw/zinc/43/55/60/1037435560.db2.gz QYJQUUZYWSFIDY-DLBZAZTESA-N 2 2 304.478 4.002 20 0 DIADLP C[C@H]1CCCC[C@@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100157 1037435567 /nfs/dbraw/zinc/43/55/67/1037435567.db2.gz QYJQUUZYWSFIDY-DLBZAZTESA-N 2 2 304.478 4.002 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000341140436 1037685773 /nfs/dbraw/zinc/68/57/73/1037685773.db2.gz VEQJYVLPRUUOPC-MRXNPFEDSA-N 2 2 324.255 4.199 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000341140436 1037685783 /nfs/dbraw/zinc/68/57/83/1037685783.db2.gz VEQJYVLPRUUOPC-MRXNPFEDSA-N 2 2 324.255 4.199 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000535664187 1038278678 /nfs/dbraw/zinc/27/86/78/1038278678.db2.gz YKEZCNBOXRERGV-ZCPJJFRWSA-N 2 2 309.457 4.150 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000535664187 1038278690 /nfs/dbraw/zinc/27/86/90/1038278690.db2.gz YKEZCNBOXRERGV-ZCPJJFRWSA-N 2 2 309.457 4.150 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151343779 1038436897 /nfs/dbraw/zinc/43/68/97/1038436897.db2.gz ZDLJXRYFODCAGY-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000151303836 1038437236 /nfs/dbraw/zinc/43/72/36/1038437236.db2.gz VIOMRAXZHZEUPT-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000151316920 1038437378 /nfs/dbraw/zinc/43/73/78/1038437378.db2.gz PDAFVMHISNMSKD-FQEVSTJZSA-N 2 2 305.425 4.172 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000151303768 1038437801 /nfs/dbraw/zinc/43/78/01/1038437801.db2.gz VIOMRAXZHZEUPT-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000684664002 1038481939 /nfs/dbraw/zinc/48/19/39/1038481939.db2.gz JKZQGEZJOBVVCZ-SJORKVTESA-N 2 2 322.443 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000684664002 1038481944 /nfs/dbraw/zinc/48/19/44/1038481944.db2.gz JKZQGEZJOBVVCZ-SJORKVTESA-N 2 2 322.443 4.065 20 0 DIADLP c1cn(CC[N@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c[nH+]1 ZINC001167550169 1038590674 /nfs/dbraw/zinc/59/06/74/1038590674.db2.gz RYURMXCMZYGOQJ-PMACEKPBSA-N 2 2 315.505 4.487 20 0 DIADLP c1cn(CC[N@@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)c[nH+]1 ZINC001167550169 1038590679 /nfs/dbraw/zinc/59/06/79/1038590679.db2.gz RYURMXCMZYGOQJ-PMACEKPBSA-N 2 2 315.505 4.487 20 0 DIADLP CC(C)CCn1cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000172628049 1038624570 /nfs/dbraw/zinc/62/45/70/1038624570.db2.gz YQHJLFILPPKUNX-UHFFFAOYSA-N 2 2 322.456 4.010 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000342589800 1038681443 /nfs/dbraw/zinc/68/14/43/1038681443.db2.gz VIDANHCRNPDKRG-LLVKDONJSA-N 2 2 312.244 4.191 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000153365874 1038938344 /nfs/dbraw/zinc/93/83/44/1038938344.db2.gz DEVHOUJNJYLRDN-CHWSQXEVSA-N 2 2 312.442 4.049 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000120842841 1039017796 /nfs/dbraw/zinc/01/77/96/1039017796.db2.gz FEDJNUGUQNWCPX-LBPRGKRZSA-N 2 2 322.374 4.016 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1Cl ZINC000539414644 1039259773 /nfs/dbraw/zinc/25/97/73/1039259773.db2.gz FSYHVHYFJCPKFV-MRXNPFEDSA-N 2 2 324.255 4.417 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1Cl ZINC000539414644 1039259782 /nfs/dbraw/zinc/25/97/82/1039259782.db2.gz FSYHVHYFJCPKFV-MRXNPFEDSA-N 2 2 324.255 4.417 20 0 DIADLP Clc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000539491400 1039270755 /nfs/dbraw/zinc/27/07/55/1039270755.db2.gz PDXDPUOAVVSRNH-GOSISDBHSA-N 2 2 317.864 4.448 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000539838186 1039355307 /nfs/dbraw/zinc/35/53/07/1039355307.db2.gz DOELIMPZPUMYFU-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000539838186 1039355319 /nfs/dbraw/zinc/35/53/19/1039355319.db2.gz DOELIMPZPUMYFU-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838186 1039355328 /nfs/dbraw/zinc/35/53/28/1039355328.db2.gz DOELIMPZPUMYFU-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838186 1039355343 /nfs/dbraw/zinc/35/53/43/1039355343.db2.gz DOELIMPZPUMYFU-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900228 1039385958 /nfs/dbraw/zinc/38/59/58/1039385958.db2.gz OOTNQRYRKVKIQD-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900228 1039385975 /nfs/dbraw/zinc/38/59/75/1039385975.db2.gz OOTNQRYRKVKIQD-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000539900228 1039385987 /nfs/dbraw/zinc/38/59/87/1039385987.db2.gz OOTNQRYRKVKIQD-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000539900228 1039385999 /nfs/dbraw/zinc/38/59/99/1039385999.db2.gz OOTNQRYRKVKIQD-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000278438870 1039472015 /nfs/dbraw/zinc/47/20/15/1039472015.db2.gz KEFNHAKEMFWBBT-BNOWGMLFSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000278438870 1039472023 /nfs/dbraw/zinc/47/20/23/1039472023.db2.gz KEFNHAKEMFWBBT-BNOWGMLFSA-N 2 2 313.272 4.271 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)c1ccccc1 ZINC000657815762 1039545109 /nfs/dbraw/zinc/54/51/09/1039545109.db2.gz IKEXXQLOWHNFAE-ZBFHGGJFSA-N 2 2 312.448 4.339 20 0 DIADLP CC1=C[C@@H](C)C[C@@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532466 1039555108 /nfs/dbraw/zinc/55/51/08/1039555108.db2.gz FPGUWXWTVVENID-SJLPKXTDSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=C[C@@H](C)C[C@@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532466 1039555116 /nfs/dbraw/zinc/55/51/16/1039555116.db2.gz FPGUWXWTVVENID-SJLPKXTDSA-N 2 2 316.489 4.168 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000540987142 1039604960 /nfs/dbraw/zinc/60/49/60/1039604960.db2.gz UKCIPJGOPHOSMC-MRRJBJDNSA-N 2 2 312.860 4.249 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000540987142 1039604971 /nfs/dbraw/zinc/60/49/71/1039604971.db2.gz UKCIPJGOPHOSMC-MRRJBJDNSA-N 2 2 312.860 4.249 20 0 DIADLP C[C@@H]([NH2+]CCCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000541082969 1039619100 /nfs/dbraw/zinc/61/91/00/1039619100.db2.gz OXSRBPHDNFGNIK-QGZVFWFLSA-N 2 2 305.425 4.156 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000628199606 1039727011 /nfs/dbraw/zinc/72/70/11/1039727011.db2.gz ZSKDJOIUKXUYFJ-WMLDXEAASA-N 2 2 310.432 4.093 20 0 DIADLP Fc1ccc(C2=CC[C@H]([NH2+]CCCCn3cc[nH+]c3)CC2)cc1 ZINC000541853123 1039751374 /nfs/dbraw/zinc/75/13/74/1039751374.db2.gz IUFNXMHGMFOECD-IBGZPJMESA-N 2 2 313.420 4.028 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)[C@H](C)C2 ZINC000493223760 1040139556 /nfs/dbraw/zinc/13/95/56/1040139556.db2.gz CMMIGESYKDFIBL-IERDGZPVSA-N 2 2 317.436 4.204 20 0 DIADLP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000685612793 1040159038 /nfs/dbraw/zinc/15/90/38/1040159038.db2.gz BGVHYUQAIOADPB-UZLBHIALSA-N 2 2 309.457 4.013 20 0 DIADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000685662319 1040202740 /nfs/dbraw/zinc/20/27/40/1040202740.db2.gz OPINKOJQDKLTPT-SMDDNHRTSA-N 2 2 324.255 4.315 20 0 DIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccsc2Cl)cc1 ZINC000809738752 1041240018 /nfs/dbraw/zinc/24/00/18/1041240018.db2.gz IFHOAAMTNHTORS-UHFFFAOYSA-N 2 2 308.878 4.095 20 0 DIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccsc2Cl)cc1 ZINC000809738752 1041240036 /nfs/dbraw/zinc/24/00/36/1041240036.db2.gz IFHOAAMTNHTORS-UHFFFAOYSA-N 2 2 308.878 4.095 20 0 DIADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000605594702 1041367248 /nfs/dbraw/zinc/36/72/48/1041367248.db2.gz DXXFRVPCOUYSDB-KRWDZBQOSA-N 2 2 318.530 4.089 20 0 DIADLP c1cn(CCCC2CC[NH+](C[C@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000783030495 1041436975 /nfs/dbraw/zinc/43/69/75/1041436975.db2.gz KZJQHSKNQFEEND-HXUWFJFHSA-N 2 2 323.484 4.105 20 0 DIADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)c1F ZINC001137972247 1041483920 /nfs/dbraw/zinc/48/39/20/1041483920.db2.gz FWXBHCXCTVUKAC-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)c1F ZINC001137972247 1041483927 /nfs/dbraw/zinc/48/39/27/1041483927.db2.gz FWXBHCXCTVUKAC-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCCCCCC2)CC1 ZINC000812825516 1041650195 /nfs/dbraw/zinc/65/01/95/1041650195.db2.gz VIWXVJNLRBXHLV-UHFFFAOYSA-N 2 2 320.443 4.353 20 0 DIADLP C[C@H](c1ccccc1F)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677829 1041852053 /nfs/dbraw/zinc/85/20/53/1041852053.db2.gz JUYXGYKKQITIKA-MRXNPFEDSA-N 2 2 312.432 4.141 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651741558 1041900301 /nfs/dbraw/zinc/90/03/01/1041900301.db2.gz NUWGFUCXXIIOBK-UWVAXJGDSA-N 2 2 315.505 4.165 20 0 DIADLP c1ccc(NCCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)[nH+]c1 ZINC000652158598 1041970874 /nfs/dbraw/zinc/97/08/74/1041970874.db2.gz GGEUVEAYODSEQT-HXUWFJFHSA-N 2 2 324.472 4.190 20 0 DIADLP CCc1ccc([C@H](C[NH2+]C2CC(C(F)F)C2)[NH+](CC)CC)cc1 ZINC000816620288 1042075348 /nfs/dbraw/zinc/07/53/48/1042075348.db2.gz PQLFKSPRIHZSID-ABHNRTSZSA-N 2 2 324.459 4.265 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000317225093 1042217490 /nfs/dbraw/zinc/21/74/90/1042217490.db2.gz HZXDDOGZNBDRSD-MLGOLLRUSA-N 2 2 323.843 4.441 20 0 DIADLP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000820806378 1042227656 /nfs/dbraw/zinc/22/76/56/1042227656.db2.gz GSHLYMQGOULHHW-FQEVSTJZSA-N 2 2 324.468 4.088 20 0 DIADLP CCCC[C@H](CC(C)C)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246188290 1042289779 /nfs/dbraw/zinc/28/97/79/1042289779.db2.gz DZBCKLIOJUTSKT-CABCVRRESA-N 2 2 308.432 4.111 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)s1 ZINC000152221901 1042434464 /nfs/dbraw/zinc/43/44/64/1042434464.db2.gz BWXNXZCILMLZHU-AWEZNQCLSA-N 2 2 311.454 4.401 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000152268048 1042439667 /nfs/dbraw/zinc/43/96/67/1042439667.db2.gz APAYRIIOGLTUMP-CQSZACIVSA-N 2 2 311.454 4.347 20 0 DIADLP FC(F)(F)C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000420951857 1042616549 /nfs/dbraw/zinc/61/65/49/1042616549.db2.gz RGMMDEYLVRHSGC-OAHLLOKOSA-N 2 2 323.362 4.037 20 0 DIADLP FC(F)(F)C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000420951857 1042616550 /nfs/dbraw/zinc/61/65/50/1042616550.db2.gz RGMMDEYLVRHSGC-OAHLLOKOSA-N 2 2 323.362 4.037 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+]C2CC3(C2)CCCCC3)c[nH+]1 ZINC000421333613 1042631754 /nfs/dbraw/zinc/63/17/54/1042631754.db2.gz OIYSOYFEXXBINH-UHFFFAOYSA-N 2 2 309.457 4.134 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000271738894 1042667057 /nfs/dbraw/zinc/66/70/57/1042667057.db2.gz DQSHLYDTCXUZJH-OAQYLSRUSA-N 2 2 317.436 4.172 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053859 1042681180 /nfs/dbraw/zinc/68/11/80/1042681180.db2.gz WUNRFEWPXOFUEV-ZSXPUABSSA-N 2 2 312.501 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053859 1042681182 /nfs/dbraw/zinc/68/11/82/1042681182.db2.gz WUNRFEWPXOFUEV-ZSXPUABSSA-N 2 2 312.501 4.065 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000422847025 1042690826 /nfs/dbraw/zinc/69/08/26/1042690826.db2.gz QTZXVFQOQQZBDG-ZACQAIPSSA-N 2 2 314.429 4.097 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146415 1042698471 /nfs/dbraw/zinc/69/84/71/1042698471.db2.gz PECOVWJDXRUXDE-FHWLQOOXSA-N 2 2 314.379 4.077 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000423231970 1042702115 /nfs/dbraw/zinc/70/21/15/1042702115.db2.gz BNMSAVHLPAVXDV-MLGOLLRUSA-N 2 2 308.347 4.056 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423248717 1042702797 /nfs/dbraw/zinc/70/27/97/1042702797.db2.gz SCLFAMLPIPEBEM-YCRPNKLZSA-N 2 2 324.468 4.191 20 0 DIADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423250369 1042703054 /nfs/dbraw/zinc/70/30/54/1042703054.db2.gz UVUMYCMICNGBCM-WBMJQRKESA-N 2 2 308.347 4.056 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000423250043 1042703114 /nfs/dbraw/zinc/70/31/14/1042703114.db2.gz UJBXYCKKEOIDKU-PZJWPPBQSA-N 2 2 323.484 4.346 20 0 DIADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000423246161 1042703577 /nfs/dbraw/zinc/70/35/77/1042703577.db2.gz PNTDIHPEZYFCKZ-YVEFUNNKSA-N 2 2 317.502 4.234 20 0 DIADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423327667 1042706868 /nfs/dbraw/zinc/70/68/68/1042706868.db2.gz LNWQKBCUMYWSIW-RNCFNFMXSA-N 2 2 307.290 4.095 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423370552 1042708216 /nfs/dbraw/zinc/70/82/16/1042708216.db2.gz GYZLUHBNSWHJNN-OPRDCNLKSA-N 2 2 321.679 4.438 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423366354 1042708779 /nfs/dbraw/zinc/70/87/79/1042708779.db2.gz QEXQNSYUDHRPEF-GUXCAODWSA-N 2 2 324.468 4.011 20 0 DIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccccc21 ZINC000423513158 1042717327 /nfs/dbraw/zinc/71/73/27/1042717327.db2.gz VIEOXJMWUXYKML-MSOLQXFVSA-N 2 2 312.482 4.076 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925058720 1042925329 /nfs/dbraw/zinc/92/53/29/1042925329.db2.gz WAXJMOHFJMUBBE-CCNLRDMRSA-N 2 2 318.530 4.132 20 0 DIADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1F ZINC000519038190 1042930748 /nfs/dbraw/zinc/93/07/48/1042930748.db2.gz ZAQWWZRPIZMVFR-SJKOYZFVSA-N 2 2 321.827 4.046 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2cccs2)cc1 ZINC000519484403 1042950160 /nfs/dbraw/zinc/95/01/60/1042950160.db2.gz JHRFUHDIRYHMFV-BBRMVZONSA-N 2 2 323.465 4.346 20 0 DIADLP C(=C/c1ccccc1)\CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000579075847 1043006119 /nfs/dbraw/zinc/00/61/19/1043006119.db2.gz LURUWHQTGVYLQS-BJMVGYQFSA-N 2 2 307.441 4.061 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000177388153 1043106497 /nfs/dbraw/zinc/10/64/97/1043106497.db2.gz CBDIKIAKTOCJRZ-CVEARBPZSA-N 2 2 321.424 4.293 20 0 DIADLP COc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1C ZINC000194346740 1043291183 /nfs/dbraw/zinc/29/11/83/1043291183.db2.gz ZAMBCFDXBVRHQT-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP COc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1C ZINC000194346722 1043291592 /nfs/dbraw/zinc/29/15/92/1043291592.db2.gz ZAMBCFDXBVRHQT-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194854969 1043295936 /nfs/dbraw/zinc/29/59/36/1043295936.db2.gz OVKPADVTUWLIDA-QGZVFWFLSA-N 2 2 324.468 4.016 20 0 DIADLP Cc1cncc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000427840886 1043307556 /nfs/dbraw/zinc/30/75/56/1043307556.db2.gz HMMOZVQFASSGMV-NQIIRXRSSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1cncc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000427840886 1043307564 /nfs/dbraw/zinc/30/75/64/1043307564.db2.gz HMMOZVQFASSGMV-NQIIRXRSSA-N 2 2 323.484 4.095 20 0 DIADLP CC(C)C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427873776 1043310286 /nfs/dbraw/zinc/31/02/86/1043310286.db2.gz HEAZRZVJHAMGNP-IRXDYDNUSA-N 2 2 317.864 4.228 20 0 DIADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854971 1043310309 /nfs/dbraw/zinc/31/03/09/1043310309.db2.gz ROSMPNWDLLDPFH-GHTZIAJQSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854971 1043310316 /nfs/dbraw/zinc/31/03/16/1043310316.db2.gz ROSMPNWDLLDPFH-GHTZIAJQSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854972 1043310407 /nfs/dbraw/zinc/31/04/07/1043310407.db2.gz ROSMPNWDLLDPFH-NQIIRXRSSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854972 1043310417 /nfs/dbraw/zinc/31/04/17/1043310417.db2.gz ROSMPNWDLLDPFH-NQIIRXRSSA-N 2 2 323.484 4.095 20 0 DIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)s1 ZINC000427863785 1043311897 /nfs/dbraw/zinc/31/18/97/1043311897.db2.gz JLRICEBWNTZWHS-HOCLYGCPSA-N 2 2 323.465 4.277 20 0 DIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCc3c4ccccc4sc31)CC2 ZINC000427882320 1043313718 /nfs/dbraw/zinc/31/37/18/1043313718.db2.gz AJWKIHLOXNBBMP-CZUORRHYSA-N 2 2 323.465 4.080 20 0 DIADLP CC(C)(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427890945 1043314099 /nfs/dbraw/zinc/31/40/99/1043314099.db2.gz KJIPXDYPSHOZME-HNAYVOBHSA-N 2 2 323.440 4.321 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCc3sccc32)c[nH+]1 ZINC000268778327 1043330160 /nfs/dbraw/zinc/33/01/60/1043330160.db2.gz SGGSYYZTVPWWQE-GOSISDBHSA-N 2 2 323.465 4.160 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268789179 1043330436 /nfs/dbraw/zinc/33/04/36/1043330436.db2.gz XGESRFDDVPOMQR-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000665263438 1043334029 /nfs/dbraw/zinc/33/40/29/1043334029.db2.gz MFPDUYJCMATMFN-HZPDHXFCSA-N 2 2 307.224 4.228 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000925590764 1043432833 /nfs/dbraw/zinc/43/28/33/1043432833.db2.gz KKWBBZHBXPAJSW-HNAYVOBHSA-N 2 2 315.505 4.021 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c2ccccc21 ZINC000925824586 1043478333 /nfs/dbraw/zinc/47/83/33/1043478333.db2.gz BILWTJPFTWPOPY-CEXWTWQISA-N 2 2 320.436 4.167 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3c(C)ccc(C)c31)CCC2 ZINC000349814867 1043526559 /nfs/dbraw/zinc/52/65/59/1043526559.db2.gz WKDLPGZJMPJLBB-HKUYNNGSSA-N 2 2 323.484 4.353 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000718014595 1043547566 /nfs/dbraw/zinc/54/75/66/1043547566.db2.gz CKSDKXBEZURTEM-SQBLYHGDSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000718014595 1043547572 /nfs/dbraw/zinc/54/75/72/1043547572.db2.gz CKSDKXBEZURTEM-SQBLYHGDSA-N 2 2 314.517 4.311 20 0 DIADLP Cc1ccc2c(C)cc(N3CCC([NH+]4CCCCC4)CC3)[nH+]c2c1 ZINC000443445668 1043554009 /nfs/dbraw/zinc/55/40/09/1043554009.db2.gz KEAHPWCOXIIABB-UHFFFAOYSA-N 2 2 323.484 4.306 20 0 DIADLP Clc1ccc([C@H](CC2CC2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353633043 1043627377 /nfs/dbraw/zinc/62/73/77/1043627377.db2.gz VPDXCDCJERZHCL-RDJZCZTQSA-N 2 2 315.848 4.051 20 0 DIADLP CCc1cccc(Cl)c1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000353758039 1043641759 /nfs/dbraw/zinc/64/17/59/1043641759.db2.gz KAJSZAOSQLLEPA-OAHLLOKOSA-N 2 2 317.864 4.075 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000558942858 1043643841 /nfs/dbraw/zinc/64/38/41/1043643841.db2.gz VVEMQJLJBOHGJB-AQTBWJFISA-N 2 2 317.436 4.125 20 0 DIADLP CC[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000777693971 1043759318 /nfs/dbraw/zinc/75/93/18/1043759318.db2.gz KWGPHPUSTLDRDH-HXUWFJFHSA-N 2 2 317.521 4.311 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000474480158 1043797844 /nfs/dbraw/zinc/79/78/44/1043797844.db2.gz ZHNYZIYYXNQAOV-WOJBJXKFSA-N 2 2 311.473 4.236 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132463 1043814187 /nfs/dbraw/zinc/81/41/87/1043814187.db2.gz HVAUOIXPZFPYHC-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132463 1043814204 /nfs/dbraw/zinc/81/42/04/1043814204.db2.gz HVAUOIXPZFPYHC-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132463 1043814222 /nfs/dbraw/zinc/81/42/22/1043814222.db2.gz HVAUOIXPZFPYHC-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132463 1043814241 /nfs/dbraw/zinc/81/42/41/1043814241.db2.gz HVAUOIXPZFPYHC-YPMHNXCESA-N 2 2 320.424 4.072 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1nccc2ccccc21 ZINC000289799338 1043879223 /nfs/dbraw/zinc/87/92/23/1043879223.db2.gz OUJZVZCLJIEGGJ-MRXNPFEDSA-N 2 2 320.440 4.173 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000474795394 1043918919 /nfs/dbraw/zinc/91/89/19/1043918919.db2.gz IKLUDZZQAIIRMX-DLBZAZTESA-N 2 2 324.553 4.070 20 0 DIADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1C ZINC000880570830 1044047523 /nfs/dbraw/zinc/04/75/23/1044047523.db2.gz YYGHYHZLHWLEDU-HXUWFJFHSA-N 2 2 305.425 4.031 20 0 DIADLP Cc1ccc(C)c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880571434 1044047866 /nfs/dbraw/zinc/04/78/66/1044047866.db2.gz PGGROWAOANUNIM-HXUWFJFHSA-N 2 2 305.425 4.031 20 0 DIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000359051936 1044124860 /nfs/dbraw/zinc/12/48/60/1044124860.db2.gz DLHVKNQFUDLIGZ-JTTJXQCZSA-N 2 2 308.416 4.022 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CCC2 ZINC000359512472 1044172583 /nfs/dbraw/zinc/17/25/83/1044172583.db2.gz CXQAXTULVITFJY-DZGCQCFKSA-N 2 2 303.837 4.073 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc(Cl)c1)CCC2 ZINC000359512475 1044172702 /nfs/dbraw/zinc/17/27/02/1044172702.db2.gz CXQAXTULVITFJY-UKRRQHHQSA-N 2 2 303.837 4.073 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000359675008 1044188621 /nfs/dbraw/zinc/18/86/21/1044188621.db2.gz MQALEBFTGPOJPV-CYBMUJFWSA-N 2 2 311.351 4.083 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000933486443 1044198343 /nfs/dbraw/zinc/19/83/43/1044198343.db2.gz QPHZXWPWZGPHKJ-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP c1cn(-c2csc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)c[nH+]1 ZINC000359798431 1044202108 /nfs/dbraw/zinc/20/21/08/1044202108.db2.gz MZTVOQZLFDXLQS-UHFFFAOYSA-N 2 2 309.438 4.101 20 0 DIADLP C[C@H]([NH2+]CC(C)(C)CC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883258619 1044247381 /nfs/dbraw/zinc/24/73/81/1044247381.db2.gz ITAFEBLOZNMSBJ-ZDUSSCGKSA-N 2 2 307.388 4.204 20 0 DIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387486 1044298730 /nfs/dbraw/zinc/29/87/30/1044298730.db2.gz YTKLJADAUJPRKP-LEWJYISDSA-N 2 2 317.436 4.210 20 0 DIADLP c1cn(C[C@H]([NH2+][C@H]2CCCc3sccc32)c2ccccc2)c[nH+]1 ZINC000883386137 1044298887 /nfs/dbraw/zinc/29/88/87/1044298887.db2.gz AFFVNPRWKBSHAQ-ROUUACIJSA-N 2 2 323.465 4.353 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386352 1044299986 /nfs/dbraw/zinc/29/99/86/1044299986.db2.gz DQOAZZZRAHKSAF-DOTOQJQBSA-N 2 2 311.454 4.345 20 0 DIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387488 1044300677 /nfs/dbraw/zinc/30/06/77/1044300677.db2.gz YTKLJADAUJPRKP-RTWAWAEBSA-N 2 2 317.436 4.210 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)o1 ZINC000883386674 1044301135 /nfs/dbraw/zinc/30/11/35/1044301135.db2.gz LCAGSODSGRAQTB-HNAYVOBHSA-N 2 2 309.413 4.185 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)oc1C ZINC000883388397 1044302735 /nfs/dbraw/zinc/30/27/35/1044302735.db2.gz UNPNSXHYCYKOSJ-CRAIPNDOSA-N 2 2 309.413 4.185 20 0 DIADLP c1cn(C[C@H]([NH2+]Cc2cccc(C3CC3)c2)c2ccccc2)c[nH+]1 ZINC000883397500 1044304515 /nfs/dbraw/zinc/30/45/15/1044304515.db2.gz OBPBFGRYJBKQMJ-NRFANRHFSA-N 2 2 317.436 4.292 20 0 DIADLP FC(F)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000360829266 1044314443 /nfs/dbraw/zinc/31/44/43/1044314443.db2.gz AYNDQQKUWXCVPD-UHFFFAOYSA-N 2 2 319.380 4.161 20 0 DIADLP Cc1cc(Nc2cccc3[nH+]c(C)ccc23)n(-c2cc[nH+]cc2)n1 ZINC001212796375 1044325356 /nfs/dbraw/zinc/32/53/56/1044325356.db2.gz WZURDHKTRIGADP-UHFFFAOYSA-N 2 2 315.380 4.176 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3cc4ccccc4o3)CC2)c[nH+]1 ZINC000361073047 1044355699 /nfs/dbraw/zinc/35/56/99/1044355699.db2.gz LQJJZXKQSQAPNM-UHFFFAOYSA-N 2 2 323.440 4.322 20 0 DIADLP C[C@H]1CC([N@@H+]2CCCCC23CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061465 1044361060 /nfs/dbraw/zinc/36/10/60/1044361060.db2.gz IMBVEHJJECFBSY-ROUUACIJSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@H]1CC([N@H+]2CCCCC23CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061465 1044361074 /nfs/dbraw/zinc/36/10/74/1044361074.db2.gz IMBVEHJJECFBSY-ROUUACIJSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361483506 1044407881 /nfs/dbraw/zinc/40/78/81/1044407881.db2.gz DXTGIPQINLQBAX-VLIAUNLRSA-N 2 2 321.399 4.035 20 0 DIADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000361492449 1044410260 /nfs/dbraw/zinc/41/02/60/1044410260.db2.gz IBZQQVNHBYSCHM-SFHVURJKSA-N 2 2 321.424 4.269 20 0 DIADLP C[C@@H]1CC([N@@H+]2CC3CCC2CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065694 1044411168 /nfs/dbraw/zinc/41/11/68/1044411168.db2.gz XROJGNFMWOTCHT-NXMBOHNASA-N 2 2 312.501 4.302 20 0 DIADLP C[C@@H]1CC([N@H+]2CC3CCC2CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065694 1044411173 /nfs/dbraw/zinc/41/11/73/1044411173.db2.gz XROJGNFMWOTCHT-NXMBOHNASA-N 2 2 312.501 4.302 20 0 DIADLP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000361663111 1044429356 /nfs/dbraw/zinc/42/93/56/1044429356.db2.gz SUBHKWVXJOPNSR-RTBURBONSA-N 2 2 311.473 4.372 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](CC(C)C)c1ccccc1)CCC2 ZINC000361663342 1044429678 /nfs/dbraw/zinc/42/96/78/1044429678.db2.gz UATKAQFCUKNZSW-OALUTQOASA-N 2 2 311.473 4.446 20 0 DIADLP CC[N@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361700642 1044431262 /nfs/dbraw/zinc/43/12/62/1044431262.db2.gz WTGWKPDVOIJINQ-UHFFFAOYSA-N 2 2 311.454 4.264 20 0 DIADLP CC[N@@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361700642 1044431271 /nfs/dbraw/zinc/43/12/71/1044431271.db2.gz WTGWKPDVOIJINQ-UHFFFAOYSA-N 2 2 311.454 4.264 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000361714474 1044434989 /nfs/dbraw/zinc/43/49/89/1044434989.db2.gz QQQSJKNKMHYCND-DOTOQJQBSA-N 2 2 323.440 4.446 20 0 DIADLP Cc1[nH+]cc(CNc2ccc([N@H+]3CCCC[C@H]3C)cc2C)n1C ZINC000567367835 1044560837 /nfs/dbraw/zinc/56/08/37/1044560837.db2.gz AVABJJPTHFQBNR-OAHLLOKOSA-N 2 2 312.461 4.028 20 0 DIADLP Cc1[nH+]cc(CNc2ccc([N@@H+]3CCCC[C@H]3C)cc2C)n1C ZINC000567367835 1044560853 /nfs/dbraw/zinc/56/08/53/1044560853.db2.gz AVABJJPTHFQBNR-OAHLLOKOSA-N 2 2 312.461 4.028 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444799030 1044629691 /nfs/dbraw/zinc/62/96/91/1044629691.db2.gz RLLGDEVMQXGQKL-QGZVFWFLSA-N 2 2 303.837 4.072 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444799030 1044629696 /nfs/dbraw/zinc/62/96/96/1044629696.db2.gz RLLGDEVMQXGQKL-QGZVFWFLSA-N 2 2 303.837 4.072 20 0 DIADLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)[nH+]c1C ZINC000886667672 1044677951 /nfs/dbraw/zinc/67/79/51/1044677951.db2.gz FOGHZXHEMBHSFX-CYBMUJFWSA-N 2 2 319.399 4.245 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000886717732 1044686881 /nfs/dbraw/zinc/68/68/81/1044686881.db2.gz HEHVDALTDOQZRV-UHFFFAOYSA-N 2 2 308.416 4.075 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc3ccccc3o1)CCC2 ZINC000366236837 1044715634 /nfs/dbraw/zinc/71/56/34/1044715634.db2.gz VJIOADRMBUKFTJ-ZBFHGGJFSA-N 2 2 309.413 4.166 20 0 DIADLP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000569983119 1044724051 /nfs/dbraw/zinc/72/40/51/1044724051.db2.gz ZWQSHXQJKDTNGK-IAGOWNOFSA-N 2 2 317.521 4.411 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccccc2)c1 ZINC000570368711 1044753288 /nfs/dbraw/zinc/75/32/88/1044753288.db2.gz IFVSOPXOZKHQMW-KXBFYZLASA-N 2 2 317.436 4.285 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370671086 1044847437 /nfs/dbraw/zinc/84/74/37/1044847437.db2.gz MAURIGPYBWXFJZ-CWRNSKLLSA-N 2 2 322.880 4.016 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370671086 1044847456 /nfs/dbraw/zinc/84/74/56/1044847456.db2.gz MAURIGPYBWXFJZ-CWRNSKLLSA-N 2 2 322.880 4.016 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(C)cc1)C1CC1)CCC2 ZINC000371425497 1044878111 /nfs/dbraw/zinc/87/81/11/1044878111.db2.gz LZEFEWBBTUVDTJ-RBUKOAKNSA-N 2 2 309.457 4.118 20 0 DIADLP Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000372568795 1044915437 /nfs/dbraw/zinc/91/54/37/1044915437.db2.gz ALFYGPBJEIRJOV-YYWHXJBOSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000372568795 1044915443 /nfs/dbraw/zinc/91/54/43/1044915443.db2.gz ALFYGPBJEIRJOV-YYWHXJBOSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc([C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000372568795 1044915451 /nfs/dbraw/zinc/91/54/51/1044915451.db2.gz ALFYGPBJEIRJOV-YYWHXJBOSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc([C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000372568795 1044915454 /nfs/dbraw/zinc/91/54/54/1044915454.db2.gz ALFYGPBJEIRJOV-YYWHXJBOSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524860 1044915709 /nfs/dbraw/zinc/91/57/09/1044915709.db2.gz GDDRPFMWCBWSOU-LMNJBCLMSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524860 1044915729 /nfs/dbraw/zinc/91/57/29/1044915729.db2.gz GDDRPFMWCBWSOU-LMNJBCLMSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524860 1044915744 /nfs/dbraw/zinc/91/57/44/1044915744.db2.gz GDDRPFMWCBWSOU-LMNJBCLMSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524860 1044915758 /nfs/dbraw/zinc/91/57/58/1044915758.db2.gz GDDRPFMWCBWSOU-LMNJBCLMSA-N 2 2 323.484 4.076 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000524773094 1044920054 /nfs/dbraw/zinc/92/00/54/1044920054.db2.gz VWPVGWVQHJIBCQ-UHFFFAOYSA-N 2 2 324.468 4.225 20 0 DIADLP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337564419 1044921189 /nfs/dbraw/zinc/92/11/89/1044921189.db2.gz XEVYWSOKXNFVKS-CQSZACIVSA-N 2 2 319.399 4.348 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000153731012 1045061586 /nfs/dbraw/zinc/06/15/86/1045061586.db2.gz OTRWBGHTTKZXGY-ZDUSSCGKSA-N 2 2 313.376 4.072 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000374574349 1045072107 /nfs/dbraw/zinc/07/21/07/1045072107.db2.gz GWGUHAOJVMPMEG-KBPBESRZSA-N 2 2 303.475 4.044 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000374574309 1045072790 /nfs/dbraw/zinc/07/27/90/1045072790.db2.gz GLUJQHRYMJBMLV-RTBURBONSA-N 2 2 311.473 4.070 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000447565762 1045151805 /nfs/dbraw/zinc/15/18/05/1045151805.db2.gz NMYBCUXBSCIRSZ-WZRBSPASSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000447565762 1045151823 /nfs/dbraw/zinc/15/18/23/1045151823.db2.gz NMYBCUXBSCIRSZ-WZRBSPASSA-N 2 2 301.261 4.127 20 0 DIADLP C[NH+](C)[C@@H](CNc1cc[nH+]c2c(Cl)cccc12)c1ccco1 ZINC000557477923 1045187101 /nfs/dbraw/zinc/18/71/01/1045187101.db2.gz WZWRXJNSPGANAE-HNNXBMFYSA-N 2 2 315.804 4.196 20 0 DIADLP CCC1(C)CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000557523162 1045195092 /nfs/dbraw/zinc/19/50/92/1045195092.db2.gz JBFKZTJAPPDPQL-UHFFFAOYSA-N 2 2 311.473 4.380 20 0 DIADLP CCCc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000557539374 1045196550 /nfs/dbraw/zinc/19/65/50/1045196550.db2.gz CMJUCAKEADVIEQ-FXAWDEMLSA-N 2 2 311.473 4.206 20 0 DIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccns2)CC1 ZINC000925081145 1045224471 /nfs/dbraw/zinc/22/44/71/1045224471.db2.gz YIXSUAJPIRNPKP-LSDHHAIUSA-N 2 2 315.486 4.019 20 0 DIADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)c[nH+]1 ZINC000527643630 1045245132 /nfs/dbraw/zinc/24/51/32/1045245132.db2.gz VKTXAVJJLGLFOM-WOJBJXKFSA-N 2 2 311.473 4.369 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527751846 1045258997 /nfs/dbraw/zinc/25/89/97/1045258997.db2.gz ICCQWFHRBVBGHR-IIAWOOMASA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527751846 1045259006 /nfs/dbraw/zinc/25/90/06/1045259006.db2.gz ICCQWFHRBVBGHR-IIAWOOMASA-N 2 2 318.427 4.104 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)[C@@H]2CC23CC3)c(C)c1 ZINC000527875127 1045275832 /nfs/dbraw/zinc/27/58/32/1045275832.db2.gz KQPMFQDYMWEICB-WDSOQIARSA-N 2 2 309.457 4.019 20 0 DIADLP CC(C)(C)c1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000578943559 1045283891 /nfs/dbraw/zinc/28/38/91/1045283891.db2.gz IZSPUDGFEGCNDD-UHFFFAOYSA-N 2 2 311.473 4.129 20 0 DIADLP C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464195 1045400075 /nfs/dbraw/zinc/40/00/75/1045400075.db2.gz XZVLXSYWVWRSDS-DZGCQCFKSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464195 1045400076 /nfs/dbraw/zinc/40/00/76/1045400076.db2.gz XZVLXSYWVWRSDS-DZGCQCFKSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC001119597799 1045517707 /nfs/dbraw/zinc/51/77/07/1045517707.db2.gz FPBDCSUJBDZMQK-MRXNPFEDSA-N 2 2 317.436 4.212 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1CC2CCC1CC2 ZINC000381536441 1045568910 /nfs/dbraw/zinc/56/89/10/1045568910.db2.gz QSWKJOLBVFOVIN-FHZKDXSVSA-N 2 2 303.494 4.102 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878020 1045584517 /nfs/dbraw/zinc/58/45/17/1045584517.db2.gz SCYWBYYHRVHRFZ-LPHOPBHVSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878020 1045584522 /nfs/dbraw/zinc/58/45/22/1045584522.db2.gz SCYWBYYHRVHRFZ-LPHOPBHVSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]1C[C@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C[NH2+]1 ZINC000629742101 1045707934 /nfs/dbraw/zinc/70/79/34/1045707934.db2.gz OGLPXILBBIVGKO-IERDGZPVSA-N 2 2 317.436 4.064 20 0 DIADLP CC(C)[NH2+]Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000629741964 1045708199 /nfs/dbraw/zinc/70/81/99/1045708199.db2.gz JSVFCHYBEOWUQN-UHFFFAOYSA-N 2 2 305.425 4.096 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000530863915 1045741342 /nfs/dbraw/zinc/74/13/42/1045741342.db2.gz RGJFFMUMLPKHDG-HNAYVOBHSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000530863915 1045741361 /nfs/dbraw/zinc/74/13/61/1045741361.db2.gz RGJFFMUMLPKHDG-HNAYVOBHSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000530863915 1045741377 /nfs/dbraw/zinc/74/13/77/1045741377.db2.gz RGJFFMUMLPKHDG-HNAYVOBHSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000530863915 1045741389 /nfs/dbraw/zinc/74/13/89/1045741389.db2.gz RGJFFMUMLPKHDG-HNAYVOBHSA-N 2 2 322.443 4.080 20 0 DIADLP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902889360 1046101597 /nfs/dbraw/zinc/10/15/97/1046101597.db2.gz IFYKMSLQJGQOCV-FOIQADDNSA-N 2 2 318.424 4.069 20 0 DIADLP c1ccc([C@H](CC2CC2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000532213461 1046117655 /nfs/dbraw/zinc/11/76/55/1046117655.db2.gz IBTVSVAMUQSQFP-IBGZPJMESA-N 2 2 309.457 4.405 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902953116 1046125583 /nfs/dbraw/zinc/12/55/83/1046125583.db2.gz AHXYUSLIJPQKCX-GXTWGEPZSA-N 2 2 311.351 4.254 20 0 DIADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H](c2cccs2)C2CCCC2)c1 ZINC000903201714 1046191521 /nfs/dbraw/zinc/19/15/21/1046191521.db2.gz LPUWUKVCLNGUMB-GOSISDBHSA-N 2 2 315.486 4.230 20 0 DIADLP C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903334963 1046246566 /nfs/dbraw/zinc/24/65/66/1046246566.db2.gz JERZFQCENYLKOL-YWZLYKJASA-N 2 2 318.424 4.069 20 0 DIADLP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(C)cc1 ZINC000903384973 1046263780 /nfs/dbraw/zinc/26/37/80/1046263780.db2.gz UHAZUPIWQWNZRC-UXHICEINSA-N 2 2 311.473 4.124 20 0 DIADLP Clc1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000237658705 1046312562 /nfs/dbraw/zinc/31/25/62/1046312562.db2.gz ZWJZHJRKZZSFCE-UHFFFAOYSA-N 2 2 318.848 4.176 20 0 DIADLP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903948762 1046344135 /nfs/dbraw/zinc/34/41/35/1046344135.db2.gz UHTKFQUXGGBHFA-KCLUMXDGSA-N 2 2 324.443 4.095 20 0 DIADLP CC(C)COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001138970917 1046346338 /nfs/dbraw/zinc/34/63/38/1046346338.db2.gz OOXSMCRZAYSEMN-UHFFFAOYSA-N 2 2 318.505 4.026 20 0 DIADLP CC(C)COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001138970917 1046346348 /nfs/dbraw/zinc/34/63/48/1046346348.db2.gz OOXSMCRZAYSEMN-UHFFFAOYSA-N 2 2 318.505 4.026 20 0 DIADLP Cc1ccc(CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001168208618 1046422190 /nfs/dbraw/zinc/42/21/90/1046422190.db2.gz SWZXNFKCLKJQHL-UHFFFAOYSA-N 2 2 310.485 4.038 20 0 DIADLP Cc1ccc(CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001168208618 1046422195 /nfs/dbraw/zinc/42/21/95/1046422195.db2.gz SWZXNFKCLKJQHL-UHFFFAOYSA-N 2 2 310.485 4.038 20 0 DIADLP c1cn(-c2ccc(C[N@@H+](Cc3ccccc3)C3CCC3)cc2)c[nH+]1 ZINC001139364560 1046438796 /nfs/dbraw/zinc/43/87/96/1046438796.db2.gz XMYNXLWUDPQRKK-UHFFFAOYSA-N 2 2 317.436 4.427 20 0 DIADLP c1cn(-c2ccc(C[N@H+](Cc3ccccc3)C3CCC3)cc2)c[nH+]1 ZINC001139364560 1046438805 /nfs/dbraw/zinc/43/88/05/1046438805.db2.gz XMYNXLWUDPQRKK-UHFFFAOYSA-N 2 2 317.436 4.427 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)Cc1ccccc1 ZINC001139361713 1046438990 /nfs/dbraw/zinc/43/89/90/1046438990.db2.gz XAIBUDNZSVBGEG-UHFFFAOYSA-N 2 2 319.452 4.325 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)Cc1ccccc1 ZINC001139361713 1046438995 /nfs/dbraw/zinc/43/89/95/1046438995.db2.gz XAIBUDNZSVBGEG-UHFFFAOYSA-N 2 2 319.452 4.325 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2OCC)CC1 ZINC001139605493 1046483249 /nfs/dbraw/zinc/48/32/49/1046483249.db2.gz AUGUNTHPAVVYBX-UHFFFAOYSA-N 2 2 318.505 4.090 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2OCC)CC1 ZINC001139605493 1046483253 /nfs/dbraw/zinc/48/32/53/1046483253.db2.gz AUGUNTHPAVVYBX-UHFFFAOYSA-N 2 2 318.505 4.090 20 0 DIADLP Cc1csc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001137293846 1046483492 /nfs/dbraw/zinc/48/34/92/1046483492.db2.gz DRNOKTOEZZEYGK-ZDUSSCGKSA-N 2 2 322.861 4.067 20 0 DIADLP Cc1csc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001137293846 1046483500 /nfs/dbraw/zinc/48/35/00/1046483500.db2.gz DRNOKTOEZZEYGK-ZDUSSCGKSA-N 2 2 322.861 4.067 20 0 DIADLP Cc1csc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001137293845 1046484198 /nfs/dbraw/zinc/48/41/98/1046484198.db2.gz DRNOKTOEZZEYGK-CYBMUJFWSA-N 2 2 322.861 4.067 20 0 DIADLP Cc1csc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1Cl ZINC001137293845 1046484207 /nfs/dbraw/zinc/48/42/07/1046484207.db2.gz DRNOKTOEZZEYGK-CYBMUJFWSA-N 2 2 322.861 4.067 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001140023354 1046570727 /nfs/dbraw/zinc/57/07/27/1046570727.db2.gz LSMJAXHNDKHJKI-INIZCTEOSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001140023354 1046570740 /nfs/dbraw/zinc/57/07/40/1046570740.db2.gz LSMJAXHNDKHJKI-INIZCTEOSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140027561 1046573406 /nfs/dbraw/zinc/57/34/06/1046573406.db2.gz QFPSZRBNBOCHDI-QZTJIDSGSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001140027561 1046573418 /nfs/dbraw/zinc/57/34/18/1046573418.db2.gz QFPSZRBNBOCHDI-QZTJIDSGSA-N 2 2 309.457 4.193 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000642339524 1046599293 /nfs/dbraw/zinc/59/92/93/1046599293.db2.gz WXEDRSUSZCWVOS-UHFFFAOYSA-N 2 2 320.864 4.420 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000642339524 1046599298 /nfs/dbraw/zinc/59/92/98/1046599298.db2.gz WXEDRSUSZCWVOS-UHFFFAOYSA-N 2 2 320.864 4.420 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000236602983 1046626525 /nfs/dbraw/zinc/62/65/25/1046626525.db2.gz QOZVIZKIOCCKGM-UHFFFAOYSA-N 2 2 312.457 4.217 20 0 DIADLP CCC(C)(C)[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000834603613 1046638104 /nfs/dbraw/zinc/63/81/04/1046638104.db2.gz ZKMYFVXGUUKMJI-INIZCTEOSA-N 2 2 317.521 4.136 20 0 DIADLP CC(C)[N@H+](Cc1ccccc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC001140320030 1046653253 /nfs/dbraw/zinc/65/32/53/1046653253.db2.gz XFSCLEBVLWSTDK-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1ccccc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC001140320030 1046653259 /nfs/dbraw/zinc/65/32/59/1046653259.db2.gz XFSCLEBVLWSTDK-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC001140382957 1046680582 /nfs/dbraw/zinc/68/05/82/1046680582.db2.gz WHYQEJAQPWSBMS-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC001140382957 1046680585 /nfs/dbraw/zinc/68/05/85/1046680585.db2.gz WHYQEJAQPWSBMS-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000678769036 1046696491 /nfs/dbraw/zinc/69/64/91/1046696491.db2.gz ZGUFDNWHSYBNRW-OXQOHEQNSA-N 2 2 309.457 4.187 20 0 DIADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000678769034 1046697402 /nfs/dbraw/zinc/69/74/02/1046697402.db2.gz ZGUFDNWHSYBNRW-JXFKEZNVSA-N 2 2 309.457 4.187 20 0 DIADLP CC(C)[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000796869947 1046750595 /nfs/dbraw/zinc/75/05/95/1046750595.db2.gz PAQOFDXOWJZTHI-WOJBJXKFSA-N 2 2 315.505 4.064 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC001140640121 1046828308 /nfs/dbraw/zinc/82/83/08/1046828308.db2.gz ZLUNESOZSYBYGG-MRXNPFEDSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC001140640121 1046828334 /nfs/dbraw/zinc/82/83/34/1046828334.db2.gz ZLUNESOZSYBYGG-MRXNPFEDSA-N 2 2 324.449 4.258 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000248849973 1046854263 /nfs/dbraw/zinc/85/42/63/1046854263.db2.gz IZZLCANLXMSFSJ-MDZRGWNJSA-N 2 2 315.505 4.021 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000666785820 1046879183 /nfs/dbraw/zinc/87/91/83/1046879183.db2.gz MHUZEWBXLYEUOU-OAQYLSRUSA-N 2 2 319.452 4.148 20 0 DIADLP C[N@H+](Cc1coc2ccccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001140785053 1046898798 /nfs/dbraw/zinc/89/87/98/1046898798.db2.gz LEBKKOOBAJAZSG-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP C[N@@H+](Cc1coc2ccccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001140785053 1046898812 /nfs/dbraw/zinc/89/88/12/1046898812.db2.gz LEBKKOOBAJAZSG-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP Cc1cccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCC2)c1 ZINC000647236809 1046959255 /nfs/dbraw/zinc/95/92/55/1046959255.db2.gz JGORQMSXVLJNOB-UHFFFAOYSA-N 2 2 323.465 4.411 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H](C)C1 ZINC000680342244 1046968656 /nfs/dbraw/zinc/96/86/56/1046968656.db2.gz NHGVBOBJNQJCBI-NEPXVJNWSA-N 2 2 311.473 4.118 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC000647333041 1046980990 /nfs/dbraw/zinc/98/09/90/1046980990.db2.gz KCLFHPDJECYQTJ-UHFFFAOYSA-N 2 2 304.453 4.057 20 0 DIADLP C[C@H]([NH2+]CC1CCC(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000647349193 1046990061 /nfs/dbraw/zinc/99/00/61/1046990061.db2.gz CTBKQJWTDZRVHL-UQPPLGOBSA-N 2 2 301.409 4.051 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001141103497 1047015806 /nfs/dbraw/zinc/01/58/06/1047015806.db2.gz CTFLTGWVXLSURW-UHFFFAOYSA-N 2 2 302.506 4.290 20 0 DIADLP COc1ccccc1[C@H](C)[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244574 1047061172 /nfs/dbraw/zinc/06/11/72/1047061172.db2.gz QBNCJJDHJVEIJO-INIZCTEOSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccccc1[C@H](C)[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244574 1047061188 /nfs/dbraw/zinc/06/11/88/1047061188.db2.gz QBNCJJDHJVEIJO-INIZCTEOSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccc([C@@H](C)[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001141244983 1047063433 /nfs/dbraw/zinc/06/34/33/1047063433.db2.gz ZCOLBCPXEAMOLF-MRXNPFEDSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001141244983 1047063443 /nfs/dbraw/zinc/06/34/43/1047063443.db2.gz ZCOLBCPXEAMOLF-MRXNPFEDSA-N 2 2 321.424 4.074 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000379622223 1047081928 /nfs/dbraw/zinc/08/19/28/1047081928.db2.gz GIEOTLZRRKIBHN-UHFFFAOYSA-N 2 2 321.468 4.168 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000379622223 1047081938 /nfs/dbraw/zinc/08/19/38/1047081938.db2.gz GIEOTLZRRKIBHN-UHFFFAOYSA-N 2 2 321.468 4.168 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000191492695 1047086876 /nfs/dbraw/zinc/08/68/76/1047086876.db2.gz NOWQTEAAOBIVDV-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP Cc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000536866730 1047117159 /nfs/dbraw/zinc/11/71/59/1047117159.db2.gz AFQCJNINNLOVGX-KRWDZBQOSA-N 2 2 305.425 4.074 20 0 DIADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000536949323 1047126853 /nfs/dbraw/zinc/12/68/53/1047126853.db2.gz YGJUHXDXMZOXQM-QGZVFWFLSA-N 2 2 305.853 4.304 20 0 DIADLP c1cn(CCC[N@@H+]2CCCC[C@H]2CCCc2ccccc2)c[nH+]1 ZINC000537246065 1047155743 /nfs/dbraw/zinc/15/57/43/1047155743.db2.gz DHLDMVOLWUPSJS-FQEVSTJZSA-N 2 2 311.473 4.151 20 0 DIADLP c1cn(CCC[N@H+]2CCCC[C@H]2CCCc2ccccc2)c[nH+]1 ZINC000537246065 1047155748 /nfs/dbraw/zinc/15/57/48/1047155748.db2.gz DHLDMVOLWUPSJS-FQEVSTJZSA-N 2 2 311.473 4.151 20 0 DIADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000537248880 1047155967 /nfs/dbraw/zinc/15/59/67/1047155967.db2.gz HBIOPGMJNXHMHE-QGZVFWFLSA-N 2 2 305.853 4.256 20 0 DIADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000537248880 1047155974 /nfs/dbraw/zinc/15/59/74/1047155974.db2.gz HBIOPGMJNXHMHE-QGZVFWFLSA-N 2 2 305.853 4.256 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2cc(Cl)ccc2o1 ZINC000537294955 1047161813 /nfs/dbraw/zinc/16/18/13/1047161813.db2.gz FMMSGLPVBKMOIN-CYBMUJFWSA-N 2 2 317.820 4.414 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)(F)CC1 ZINC000682731715 1047216068 /nfs/dbraw/zinc/21/60/68/1047216068.db2.gz HJQLYDGYQASVSV-AWEZNQCLSA-N 2 2 319.399 4.176 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141741331 1047285717 /nfs/dbraw/zinc/28/57/17/1047285717.db2.gz LENDNCFNLVECHY-UHFFFAOYSA-N 2 2 320.480 4.174 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141741331 1047285726 /nfs/dbraw/zinc/28/57/26/1047285726.db2.gz LENDNCFNLVECHY-UHFFFAOYSA-N 2 2 320.480 4.174 20 0 DIADLP C[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000537605588 1047420944 /nfs/dbraw/zinc/42/09/44/1047420944.db2.gz RWPIHIPPGYQBJQ-NRFANRHFSA-N 2 2 317.436 4.214 20 0 DIADLP Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000121342890 1047518678 /nfs/dbraw/zinc/51/86/78/1047518678.db2.gz KQNUMBMRHADIRR-GOSISDBHSA-N 2 2 323.484 4.326 20 0 DIADLP FC(F)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001143244657 1047543459 /nfs/dbraw/zinc/54/34/59/1047543459.db2.gz YZXZKNMOGWBLAT-UHFFFAOYSA-N 2 2 318.367 4.063 20 0 DIADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000537652544 1047567210 /nfs/dbraw/zinc/56/72/10/1047567210.db2.gz RUOHZNROJQTKME-DBVUQKKJSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1ccoc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694606 1047577145 /nfs/dbraw/zinc/57/71/45/1047577145.db2.gz OYYCFJPJNPQRKO-PMACEKPBSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694606 1047577148 /nfs/dbraw/zinc/57/71/48/1047577148.db2.gz OYYCFJPJNPQRKO-PMACEKPBSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000537694606 1047577152 /nfs/dbraw/zinc/57/71/52/1047577152.db2.gz OYYCFJPJNPQRKO-PMACEKPBSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000537694606 1047577155 /nfs/dbraw/zinc/57/71/55/1047577155.db2.gz OYYCFJPJNPQRKO-PMACEKPBSA-N 2 2 324.468 4.075 20 0 DIADLP Clc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000538350957 1047671604 /nfs/dbraw/zinc/67/16/04/1047671604.db2.gz TWIBOQCZIPBNIO-UHFFFAOYSA-N 2 2 317.864 4.371 20 0 DIADLP Clc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000538350957 1047671607 /nfs/dbraw/zinc/67/16/07/1047671607.db2.gz TWIBOQCZIPBNIO-UHFFFAOYSA-N 2 2 317.864 4.371 20 0 DIADLP Cc1cccc2c(C)cc(NCc3ccc4c(c3)CC[NH2+]C4)[nH+]c12 ZINC001155268070 1047673951 /nfs/dbraw/zinc/67/39/51/1047673951.db2.gz QLSOBVAMWSNMPG-UHFFFAOYSA-N 2 2 317.436 4.109 20 0 DIADLP CCc1ccc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000538412267 1047676036 /nfs/dbraw/zinc/67/60/36/1047676036.db2.gz PSUNWOMTRQXALT-UHFFFAOYSA-N 2 2 319.452 4.460 20 0 DIADLP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001156531281 1047716239 /nfs/dbraw/zinc/71/62/39/1047716239.db2.gz VYOWIXCIRCOCJE-GOSISDBHSA-N 2 2 324.472 4.157 20 0 DIADLP C[NH+]1CCC(N(c2ccc(C(C)(C)C)c[nH+]2)C2CCCC2)CC1 ZINC001158493769 1047786648 /nfs/dbraw/zinc/78/66/48/1047786648.db2.gz KTFUDTDGVJDGBF-UHFFFAOYSA-N 2 2 315.505 4.222 20 0 DIADLP Cc1cc2c(cc1[N@@H+]1C=CC(=[NH2+])C(N)=C1)C(C)(C)CCC2(C)C ZINC001159288059 1047826642 /nfs/dbraw/zinc/82/66/42/1047826642.db2.gz LNOWAVPZBBDYPE-UHFFFAOYSA-N 2 2 309.457 4.196 20 0 DIADLP Cc1cc2c(cc1[N@H+]1C=CC(=[NH2+])C(N)=C1)C(C)(C)CCC2(C)C ZINC001159288059 1047826648 /nfs/dbraw/zinc/82/66/48/1047826648.db2.gz LNOWAVPZBBDYPE-UHFFFAOYSA-N 2 2 309.457 4.196 20 0 DIADLP Cc1c[nH+]cc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)c1C ZINC001159392126 1047839487 /nfs/dbraw/zinc/83/94/87/1047839487.db2.gz WLCCPQLDJWSUHN-APHBMKBZSA-N 2 2 310.445 4.068 20 0 DIADLP FC(F)(F)Oc1cc[nH+]c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001159415904 1047841827 /nfs/dbraw/zinc/84/18/27/1047841827.db2.gz DQIARWPGBRTJKI-AWEZNQCLSA-N 2 2 323.318 4.148 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001182845441 1047847562 /nfs/dbraw/zinc/84/75/62/1047847562.db2.gz SWHUXAKQDBRBJD-BDVYOWHSSA-N 2 2 306.881 4.048 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001182845441 1047847581 /nfs/dbraw/zinc/84/75/81/1047847581.db2.gz SWHUXAKQDBRBJD-BDVYOWHSSA-N 2 2 306.881 4.048 20 0 DIADLP c1cn(-c2cccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)c2)c[nH+]1 ZINC001159461204 1047850130 /nfs/dbraw/zinc/85/01/30/1047850130.db2.gz NZDNJTPBDOIWPE-IBGZPJMESA-N 2 2 304.397 4.040 20 0 DIADLP CN(c1ccc(Nc2ccc3c(c2)C[NH2+]C3)c[nH+]1)C1CCCCC1 ZINC001159472462 1047850385 /nfs/dbraw/zinc/85/03/85/1047850385.db2.gz KOOJIFJOIGBYDZ-UHFFFAOYSA-N 2 2 322.456 4.197 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182856148 1047852777 /nfs/dbraw/zinc/85/27/77/1047852777.db2.gz TYMGFFFLXVQPKF-QWHCGFSZSA-N 2 2 314.926 4.185 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182856148 1047852796 /nfs/dbraw/zinc/85/27/96/1047852796.db2.gz TYMGFFFLXVQPKF-QWHCGFSZSA-N 2 2 314.926 4.185 20 0 DIADLP C[C@H](CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC001182918504 1047865162 /nfs/dbraw/zinc/86/51/62/1047865162.db2.gz OVEHLXKRSIANQU-XLIONFOSSA-N 2 2 300.490 4.177 20 0 DIADLP C[C@H](CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001182918504 1047865177 /nfs/dbraw/zinc/86/51/77/1047865177.db2.gz OVEHLXKRSIANQU-XLIONFOSSA-N 2 2 300.490 4.177 20 0 DIADLP c1c[nH+]c(-c2ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)cc2)[nH]1 ZINC001159598010 1047877754 /nfs/dbraw/zinc/87/77/54/1047877754.db2.gz COGGKNDHMSXFPO-UHFFFAOYSA-N 2 2 318.424 4.287 20 0 DIADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066352 1047890795 /nfs/dbraw/zinc/89/07/95/1047890795.db2.gz YCEAHDVYUUMFIB-SUMWQHHRSA-N 2 2 312.860 4.031 20 0 DIADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066352 1047890804 /nfs/dbraw/zinc/89/08/04/1047890804.db2.gz YCEAHDVYUUMFIB-SUMWQHHRSA-N 2 2 312.860 4.031 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001183146438 1047894906 /nfs/dbraw/zinc/89/49/06/1047894906.db2.gz VYOBWDOWXAYUIY-MBOZVWFJSA-N 2 2 300.490 4.208 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001183146438 1047894920 /nfs/dbraw/zinc/89/49/20/1047894920.db2.gz VYOBWDOWXAYUIY-MBOZVWFJSA-N 2 2 300.490 4.208 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC001183238751 1047905279 /nfs/dbraw/zinc/90/52/79/1047905279.db2.gz OEXCRGXDLAVZKN-IRFCIJBXSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC001183238751 1047905290 /nfs/dbraw/zinc/90/52/90/1047905290.db2.gz OEXCRGXDLAVZKN-IRFCIJBXSA-N 2 2 312.501 4.004 20 0 DIADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)s1 ZINC000479507293 1047913349 /nfs/dbraw/zinc/91/33/49/1047913349.db2.gz AOPZZQSMUAIPNW-RUXDESIVSA-N 2 2 312.910 4.459 20 0 DIADLP Cc1cc(Nc2cccc(C3CC[NH2+]CC3)c2)ccc1[NH+](C)C ZINC001159756723 1047916214 /nfs/dbraw/zinc/91/62/14/1047916214.db2.gz DZYCCURYNBJSMK-UHFFFAOYSA-N 2 2 309.457 4.272 20 0 DIADLP c1ccc(C([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc2)cc1 ZINC000479547789 1047925602 /nfs/dbraw/zinc/92/56/02/1047925602.db2.gz XYTAEOMADCNXPQ-UHFFFAOYSA-N 2 2 320.480 4.383 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1OC1CC[NH2+]CC1 ZINC001159805779 1047927688 /nfs/dbraw/zinc/92/76/88/1047927688.db2.gz RVZUXUYRGGSUCD-UHFFFAOYSA-N 2 2 323.440 4.142 20 0 DIADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]c1C ZINC001183525862 1047934565 /nfs/dbraw/zinc/93/45/65/1047934565.db2.gz INLKUWYUNFDNDZ-LPHOPBHVSA-N 2 2 309.457 4.163 20 0 DIADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]c1C ZINC001183525862 1047934578 /nfs/dbraw/zinc/93/45/78/1047934578.db2.gz INLKUWYUNFDNDZ-LPHOPBHVSA-N 2 2 309.457 4.163 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000479578838 1047936922 /nfs/dbraw/zinc/93/69/22/1047936922.db2.gz MEBYGAUQZLRNOJ-YLJYHZDGSA-N 2 2 309.457 4.013 20 0 DIADLP CCc1cccc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000667533072 1047949711 /nfs/dbraw/zinc/94/97/11/1047949711.db2.gz FAMNGPSZYGGNNN-INIZCTEOSA-N 2 2 309.413 4.098 20 0 DIADLP CCc1cccc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000667533072 1047949718 /nfs/dbraw/zinc/94/97/18/1047949718.db2.gz FAMNGPSZYGGNNN-INIZCTEOSA-N 2 2 309.413 4.098 20 0 DIADLP Cc1ccc2c(Nc3ccc(O[C@@H]4CC[NH2+]C4)cc3)cccc2[nH+]1 ZINC001159922290 1047951177 /nfs/dbraw/zinc/95/11/77/1047951177.db2.gz HTTQICAXLLMHPM-QGZVFWFLSA-N 2 2 319.408 4.028 20 0 DIADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842935 1047968633 /nfs/dbraw/zinc/96/86/33/1047968633.db2.gz QAOGGRVSQJKFHD-IUODEOHRSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001205842935 1047968638 /nfs/dbraw/zinc/96/86/38/1047968638.db2.gz QAOGGRVSQJKFHD-IUODEOHRSA-N 2 2 306.500 4.036 20 0 DIADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1cc2ccccc2o1 ZINC000667553900 1047975082 /nfs/dbraw/zinc/97/50/82/1047975082.db2.gz DOOSHSDHAJFEMN-CQSZACIVSA-N 2 2 311.429 4.448 20 0 DIADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1cc2ccccc2o1 ZINC000667553900 1047975087 /nfs/dbraw/zinc/97/50/87/1047975087.db2.gz DOOSHSDHAJFEMN-CQSZACIVSA-N 2 2 311.429 4.448 20 0 DIADLP c1cn(C2CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)c[nH+]1 ZINC000667563844 1047984780 /nfs/dbraw/zinc/98/47/80/1047984780.db2.gz SCFGLYZPURGHPP-UHFFFAOYSA-N 2 2 309.457 4.378 20 0 DIADLP Fc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1C[NH+]1CCCCC1 ZINC001160223004 1048002689 /nfs/dbraw/zinc/00/26/89/1048002689.db2.gz DGGSXLLZFUKUOG-UHFFFAOYSA-N 2 2 324.403 4.432 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160220816 1048004006 /nfs/dbraw/zinc/00/40/06/1048004006.db2.gz ZYGHEMDKEKDBKR-LJQANCHMSA-N 2 2 323.440 4.142 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000554082860 1048004886 /nfs/dbraw/zinc/00/48/86/1048004886.db2.gz BMMDYJIFMQQCBY-AQNXPRMDSA-N 2 2 309.457 4.019 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001160233155 1048006876 /nfs/dbraw/zinc/00/68/76/1048006876.db2.gz IKHWUOCPUAZGHT-KRWDZBQOSA-N 2 2 323.440 4.142 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198772105 1048007686 /nfs/dbraw/zinc/00/76/86/1048007686.db2.gz YOOZKTWFIDDLOE-ZDUSSCGKSA-N 2 2 303.837 4.014 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1cccc2c1CCC2)c1ccccc1 ZINC001198969020 1048022879 /nfs/dbraw/zinc/02/28/79/1048022879.db2.gz LYZFREYKIPBLIT-QFIPXVFZSA-N 2 2 322.496 4.348 20 0 DIADLP C[C@@H](CC1CCCCC1)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184364003 1048028967 /nfs/dbraw/zinc/02/89/67/1048028967.db2.gz JRSAPGUYUJJNBA-INIZCTEOSA-N 2 2 303.494 4.206 20 0 DIADLP FC(F)(F)c1ccccc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000775961329 1048065303 /nfs/dbraw/zinc/06/53/03/1048065303.db2.gz FFZPDMCRMGSISC-MRXNPFEDSA-N 2 2 323.362 4.129 20 0 DIADLP FC(F)(F)c1ccccc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000775961329 1048065319 /nfs/dbraw/zinc/06/53/19/1048065319.db2.gz FFZPDMCRMGSISC-MRXNPFEDSA-N 2 2 323.362 4.129 20 0 DIADLP CC(C)(C)c1ccc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]c1 ZINC001161234551 1048114950 /nfs/dbraw/zinc/11/49/50/1048114950.db2.gz ULHDIOIDPRWHGO-UHFFFAOYSA-N 2 2 315.505 4.303 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001175156325 1048147271 /nfs/dbraw/zinc/14/72/71/1048147271.db2.gz PMLQXFSQXJPMMQ-IBGZPJMESA-N 2 2 316.464 4.153 20 0 DIADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC001200900853 1048161785 /nfs/dbraw/zinc/16/17/85/1048161785.db2.gz CCFSPGMTGWKFPQ-SXLOBPIMSA-N 2 2 323.484 4.446 20 0 DIADLP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000480771958 1048242183 /nfs/dbraw/zinc/24/21/83/1048242183.db2.gz CSEHFABFMDISAQ-IRXDYDNUSA-N 2 2 315.461 4.047 20 0 DIADLP CC(C)c1cc(NCC2(C[NH+](C)C)CCCC2)nc(C(C)C)[nH+]1 ZINC001186062013 1048261439 /nfs/dbraw/zinc/26/14/39/1048261439.db2.gz RVXDKMKSNLLLEM-UHFFFAOYSA-N 2 2 318.509 4.257 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1sccc1Cl ZINC001205347127 1048270793 /nfs/dbraw/zinc/27/07/93/1048270793.db2.gz HECCVBKKGRMCFG-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1sccc1Cl ZINC001205347127 1048270804 /nfs/dbraw/zinc/27/08/04/1048270804.db2.gz HECCVBKKGRMCFG-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1sccc1Cl ZINC001205347127 1048270814 /nfs/dbraw/zinc/27/08/14/1048270814.db2.gz HECCVBKKGRMCFG-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC001205347127 1048270825 /nfs/dbraw/zinc/27/08/25/1048270825.db2.gz HECCVBKKGRMCFG-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC001201470189 1048277036 /nfs/dbraw/zinc/27/70/36/1048277036.db2.gz MAXLTNZZIDGRAT-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC001201470189 1048277040 /nfs/dbraw/zinc/27/70/40/1048277040.db2.gz MAXLTNZZIDGRAT-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP Cc1cc(C)c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001201470185 1048277215 /nfs/dbraw/zinc/27/72/15/1048277215.db2.gz LVYFMYOSOJNXSJ-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP Cc1cc(C)c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001201470185 1048277224 /nfs/dbraw/zinc/27/72/24/1048277224.db2.gz LVYFMYOSOJNXSJ-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP Cc1ccc(-c2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001162452704 1048282891 /nfs/dbraw/zinc/28/28/91/1048282891.db2.gz GWRXSVOSEAIBMH-LPHOPBHVSA-N 2 2 309.457 4.105 20 0 DIADLP Cc1c[nH+]c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)c1 ZINC001201475855 1048296108 /nfs/dbraw/zinc/29/61/08/1048296108.db2.gz ZWFADIGSHALTMY-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP Cc1c[nH+]c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)c1 ZINC001201475855 1048296122 /nfs/dbraw/zinc/29/61/22/1048296122.db2.gz ZWFADIGSHALTMY-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481048841 1048297841 /nfs/dbraw/zinc/29/78/41/1048297841.db2.gz VHIMQTCAHZJLMF-CVEARBPZSA-N 2 2 323.415 4.293 20 0 DIADLP CCC[C@H](C)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001201553157 1048306909 /nfs/dbraw/zinc/30/69/09/1048306909.db2.gz IIWJXMJOCGETSV-INIZCTEOSA-N 2 2 306.469 4.158 20 0 DIADLP CCC[C@H](C)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001201553157 1048306916 /nfs/dbraw/zinc/30/69/16/1048306916.db2.gz IIWJXMJOCGETSV-INIZCTEOSA-N 2 2 306.469 4.158 20 0 DIADLP CC(C)c1cc(NC(C)(C)CCC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001186509412 1048313293 /nfs/dbraw/zinc/31/32/93/1048313293.db2.gz HJEGNZXQNIEGID-UHFFFAOYSA-N 2 2 306.498 4.256 20 0 DIADLP CCC(CC)(C[NH2+]C[C@@H]1CCC=CO1)[NH2+][C@@H](C)c1ccccc1 ZINC000775027855 1048314502 /nfs/dbraw/zinc/31/45/02/1048314502.db2.gz KZIIXUFBKYWLFS-HKUYNNGSSA-N 2 2 316.489 4.178 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000555378372 1048335754 /nfs/dbraw/zinc/33/57/54/1048335754.db2.gz RFYKMKQIKSCCDR-FUHWJXTLSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000555378372 1048335774 /nfs/dbraw/zinc/33/57/74/1048335774.db2.gz RFYKMKQIKSCCDR-FUHWJXTLSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000555378372 1048335791 /nfs/dbraw/zinc/33/57/91/1048335791.db2.gz RFYKMKQIKSCCDR-FUHWJXTLSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000555378372 1048335807 /nfs/dbraw/zinc/33/58/07/1048335807.db2.gz RFYKMKQIKSCCDR-FUHWJXTLSA-N 2 2 317.521 4.072 20 0 DIADLP CCCCc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)cc(C)[nH+]1 ZINC001162904765 1048382972 /nfs/dbraw/zinc/38/29/72/1048382972.db2.gz ZTQLJMNMPHQMKJ-AWEZNQCLSA-N 2 2 308.429 4.091 20 0 DIADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(F)c1F ZINC001143607238 1048421365 /nfs/dbraw/zinc/42/13/65/1048421365.db2.gz NNNLDGHCUADMFK-QGZVFWFLSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(F)c1F ZINC001143607238 1048421371 /nfs/dbraw/zinc/42/13/71/1048421371.db2.gz NNNLDGHCUADMFK-QGZVFWFLSA-N 2 2 322.443 4.114 20 0 DIADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000481572551 1048433321 /nfs/dbraw/zinc/43/33/21/1048433321.db2.gz YRBMZUAHYKQWQO-LJQANCHMSA-N 2 2 317.436 4.385 20 0 DIADLP Cc1cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC001163248956 1048444465 /nfs/dbraw/zinc/44/44/65/1048444465.db2.gz OBLMJJRGRPUQMQ-KXBFYZLASA-N 2 2 324.472 4.074 20 0 DIADLP Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c2c1cccc2C(C)C ZINC001163261571 1048444561 /nfs/dbraw/zinc/44/45/61/1048444561.db2.gz DDSNSAXOIYSDBW-JLSDUUJJSA-N 2 2 309.457 4.077 20 0 DIADLP Cc1oc2ccccc2c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000155823023 1048444746 /nfs/dbraw/zinc/44/47/46/1048444746.db2.gz RSSLBEONDRWUHH-UHFFFAOYSA-N 2 2 309.413 4.118 20 0 DIADLP CC(C)[N@@H+]1CC[C@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC001163359868 1048461214 /nfs/dbraw/zinc/46/12/14/1048461214.db2.gz ADXYDRBCXOGLRR-GUYCJALGSA-N 2 2 317.864 4.419 20 0 DIADLP CC(C)[N@H+]1CC[C@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC001163359868 1048461220 /nfs/dbraw/zinc/46/12/20/1048461220.db2.gz ADXYDRBCXOGLRR-GUYCJALGSA-N 2 2 317.864 4.419 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1C ZINC001202150464 1048462503 /nfs/dbraw/zinc/46/25/03/1048462503.db2.gz JJUKHPPYBFLYQY-CEXWTWQISA-N 2 2 306.538 4.447 20 0 DIADLP Cc1ccc(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1C ZINC001202149731 1048463876 /nfs/dbraw/zinc/46/38/76/1048463876.db2.gz CQVYMOXPPCQACO-UHFFFAOYSA-N 2 2 314.517 4.439 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001202150716 1048474736 /nfs/dbraw/zinc/47/47/36/1048474736.db2.gz KVXFQMFWXSHXRI-MSOLQXFVSA-N 2 2 306.538 4.447 20 0 DIADLP CS[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001202151710 1048474863 /nfs/dbraw/zinc/47/48/63/1048474863.db2.gz XECSHPDILXEGTE-MSOLQXFVSA-N 2 2 324.578 4.297 20 0 DIADLP Cc1ccc2cc(NCc3cccc(C[NH+](C)C)c3)[nH+]cc2c1 ZINC001163994231 1048565169 /nfs/dbraw/zinc/56/51/69/1048565169.db2.gz WJHJTMKYDLMPSG-UHFFFAOYSA-N 2 2 305.425 4.217 20 0 DIADLP Cc1cccc(C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)c1 ZINC000482244874 1048572639 /nfs/dbraw/zinc/57/26/39/1048572639.db2.gz NKPVQQYDFUYEDI-HXUWFJFHSA-N 2 2 323.484 4.193 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164491454 1048634142 /nfs/dbraw/zinc/63/41/42/1048634142.db2.gz DRYMWNSHEBUFJV-XUVXKRRUSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164491454 1048634148 /nfs/dbraw/zinc/63/41/48/1048634148.db2.gz DRYMWNSHEBUFJV-XUVXKRRUSA-N 2 2 321.468 4.021 20 0 DIADLP Clc1ccc2c(cc[nH+]c2N2CCCCC23CC[NH2+]CC3)c1 ZINC001165334666 1048682581 /nfs/dbraw/zinc/68/25/81/1048682581.db2.gz JLPFMUWYUFHEOT-UHFFFAOYSA-N 2 2 315.848 4.001 20 0 DIADLP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC001190383717 1048723000 /nfs/dbraw/zinc/72/30/00/1048723000.db2.gz SDKWEIDBVUOKEO-IBGZPJMESA-N 2 2 311.473 4.408 20 0 DIADLP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC001190383717 1048723010 /nfs/dbraw/zinc/72/30/10/1048723010.db2.gz SDKWEIDBVUOKEO-IBGZPJMESA-N 2 2 311.473 4.408 20 0 DIADLP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000483144517 1048748306 /nfs/dbraw/zinc/74/83/06/1048748306.db2.gz ZVWKMHZIZBCCMX-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC=C(Cl)Cl)cc1 ZINC000851901667 1048810896 /nfs/dbraw/zinc/81/08/96/1048810896.db2.gz FCBZMGMTBSHRAP-NSHDSACASA-N 2 2 310.228 4.150 20 0 DIADLP C[NH2+]Cc1cccc(Nc2cc(C)c3ccc(OC)cc3[nH+]2)c1 ZINC001167033535 1048835014 /nfs/dbraw/zinc/83/50/14/1048835014.db2.gz PHDTWCFAGXHPOC-UHFFFAOYSA-N 2 2 307.397 4.015 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251857661 1048842471 /nfs/dbraw/zinc/84/24/71/1048842471.db2.gz SKXRZRVWHRHKTP-FIXISWKDSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251857661 1048842490 /nfs/dbraw/zinc/84/24/90/1048842490.db2.gz SKXRZRVWHRHKTP-FIXISWKDSA-N 2 2 301.261 4.114 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001203328555 1048871448 /nfs/dbraw/zinc/87/14/48/1048871448.db2.gz UQQZWBLOIZBXCC-IZRJCCQOSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001203328555 1048871463 /nfs/dbraw/zinc/87/14/63/1048871463.db2.gz UQQZWBLOIZBXCC-IZRJCCQOSA-N 2 2 312.501 4.232 20 0 DIADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H]3CCCC[C@H]3C)cc2)CC1 ZINC001177379019 1048878908 /nfs/dbraw/zinc/87/89/08/1048878908.db2.gz IXFUFPBZUKGTAP-QZTJIDSGSA-N 2 2 315.505 4.067 20 0 DIADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H]3CCCC[C@@H]3C)cc2)CC1 ZINC001177379021 1048878981 /nfs/dbraw/zinc/87/89/81/1048878981.db2.gz IXFUFPBZUKGTAP-ZWKOTPCHSA-N 2 2 315.505 4.067 20 0 DIADLP CC(C)Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC001177491644 1048900018 /nfs/dbraw/zinc/90/00/18/1048900018.db2.gz AVURZAURILPCLP-UHFFFAOYSA-N 2 2 319.452 4.361 20 0 DIADLP CC1(C)CCC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001203471396 1048908598 /nfs/dbraw/zinc/90/85/98/1048908598.db2.gz OECGDLFKKMGBGK-PKOBYXMFSA-N 2 2 311.473 4.430 20 0 DIADLP CCC[C@@H](C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC001203511466 1048915534 /nfs/dbraw/zinc/91/55/34/1048915534.db2.gz YGUGLYIYPSINFW-QGZVFWFLSA-N 2 2 317.521 4.137 20 0 DIADLP Clc1ccc(Cl)c(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC001177658481 1048929888 /nfs/dbraw/zinc/92/98/88/1048929888.db2.gz WDUFLGLEYDOOOC-UHFFFAOYSA-N 2 2 324.255 4.370 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001191476560 1048950617 /nfs/dbraw/zinc/95/06/17/1048950617.db2.gz RULZVDWLLATXDA-KRWDZBQOSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001191476560 1048950633 /nfs/dbraw/zinc/95/06/33/1048950633.db2.gz RULZVDWLLATXDA-KRWDZBQOSA-N 2 2 317.436 4.300 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC001178249380 1049001429 /nfs/dbraw/zinc/00/14/29/1049001429.db2.gz OHSFCJIFWMJKSR-LMMKCTJWSA-N 2 2 315.505 4.023 20 0 DIADLP CC1(C)C[C@H]([NH2+]C/C=C\c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001178327056 1049023613 /nfs/dbraw/zinc/02/36/13/1049023613.db2.gz XCGPCLDNZPWBAA-GUSDMMFLSA-N 2 2 320.480 4.343 20 0 DIADLP CC1(C)C[C@H]([NH2+]C/C=C\c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001178327056 1049023619 /nfs/dbraw/zinc/02/36/19/1049023619.db2.gz XCGPCLDNZPWBAA-GUSDMMFLSA-N 2 2 320.480 4.343 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC001192139426 1049047773 /nfs/dbraw/zinc/04/77/73/1049047773.db2.gz DOUNAKKCJZCMCI-UHFFFAOYSA-N 2 2 316.876 4.456 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C ZINC001179044786 1049122209 /nfs/dbraw/zinc/12/22/09/1049122209.db2.gz QDIGCXBEQPMQEQ-DCFRIVOISA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C ZINC001179044786 1049122216 /nfs/dbraw/zinc/12/22/16/1049122216.db2.gz QDIGCXBEQPMQEQ-DCFRIVOISA-N 2 2 312.501 4.232 20 0 DIADLP CCCCCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204314260 1049140294 /nfs/dbraw/zinc/14/02/94/1049140294.db2.gz CNGXNLVWIVPYOH-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CCCCCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204314260 1049140300 /nfs/dbraw/zinc/14/03/00/1049140300.db2.gz CNGXNLVWIVPYOH-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP C[C@H](CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)[NH+](C)C ZINC001179266888 1049151186 /nfs/dbraw/zinc/15/11/86/1049151186.db2.gz YNALHBHCCRJKNF-CQSZACIVSA-N 2 2 324.896 4.091 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@@H+]1Cc1ccccc1 ZINC001179304858 1049152413 /nfs/dbraw/zinc/15/24/13/1049152413.db2.gz VSKYLZJMSKJNBY-RBUKOAKNSA-N 2 2 312.501 4.209 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@H+]1Cc1ccccc1 ZINC001179304858 1049152417 /nfs/dbraw/zinc/15/24/17/1049152417.db2.gz VSKYLZJMSKJNBY-RBUKOAKNSA-N 2 2 312.501 4.209 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1F ZINC001204472059 1049171018 /nfs/dbraw/zinc/17/10/18/1049171018.db2.gz ZXJWGWIDXMEARY-UHFFFAOYSA-N 2 2 320.374 4.008 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1F ZINC001204472059 1049171026 /nfs/dbraw/zinc/17/10/26/1049171026.db2.gz ZXJWGWIDXMEARY-UHFFFAOYSA-N 2 2 320.374 4.008 20 0 DIADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)c2ccccc21 ZINC001193693757 1049246995 /nfs/dbraw/zinc/24/69/95/1049246995.db2.gz HIZQZVWLTGXKEZ-CQSZACIVSA-N 2 2 302.849 4.240 20 0 DIADLP FC(F)(F)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000858465467 1049262450 /nfs/dbraw/zinc/26/24/50/1049262450.db2.gz YZWULCSXZSHCTF-XUJLQICISA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000858465467 1049262458 /nfs/dbraw/zinc/26/24/58/1049262458.db2.gz YZWULCSXZSHCTF-XUJLQICISA-N 2 2 318.427 4.104 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205274624 1049422855 /nfs/dbraw/zinc/42/28/55/1049422855.db2.gz ZCVGNNQUTOOHMK-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205274624 1049422860 /nfs/dbraw/zinc/42/28/60/1049422860.db2.gz ZCVGNNQUTOOHMK-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC001181242655 1049453609 /nfs/dbraw/zinc/45/36/09/1049453609.db2.gz AWDJOBLHOOJMJI-OALUTQOASA-N 2 2 300.490 4.034 20 0 DIADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC001181242655 1049453614 /nfs/dbraw/zinc/45/36/14/1049453614.db2.gz AWDJOBLHOOJMJI-OALUTQOASA-N 2 2 300.490 4.034 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC2(C1)CCCC2)C1CC1 ZINC001205488774 1049482829 /nfs/dbraw/zinc/48/28/29/1049482829.db2.gz BABLEHJFWPYYIK-FQEVSTJZSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC2(C1)CCCC2)C1CC1 ZINC001205488774 1049482838 /nfs/dbraw/zinc/48/28/38/1049482838.db2.gz BABLEHJFWPYYIK-FQEVSTJZSA-N 2 2 312.501 4.209 20 0 DIADLP CCC(CC)C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001181505050 1049486722 /nfs/dbraw/zinc/48/67/22/1049486722.db2.gz CPOSZUIZGDTJBV-UHFFFAOYSA-N 2 2 319.880 4.475 20 0 DIADLP CCC(CC)C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001181505050 1049486726 /nfs/dbraw/zinc/48/67/26/1049486726.db2.gz CPOSZUIZGDTJBV-UHFFFAOYSA-N 2 2 319.880 4.475 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001205517370 1049491248 /nfs/dbraw/zinc/49/12/48/1049491248.db2.gz NXZUNKABIMRTAU-MOPGFXCFSA-N 2 2 304.522 4.201 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001205650522 1049523018 /nfs/dbraw/zinc/52/30/18/1049523018.db2.gz NTNQVMLXXQNMJA-AABGKKOBSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001205650522 1049523030 /nfs/dbraw/zinc/52/30/30/1049523030.db2.gz NTNQVMLXXQNMJA-AABGKKOBSA-N 2 2 314.517 4.108 20 0 DIADLP CC[C@@H](C)C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001205692786 1049533525 /nfs/dbraw/zinc/53/35/25/1049533525.db2.gz LBJFCCKHJSOHQR-OAHLLOKOSA-N 2 2 305.853 4.085 20 0 DIADLP CC[C@@H](C)C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001205692786 1049533539 /nfs/dbraw/zinc/53/35/39/1049533539.db2.gz LBJFCCKHJSOHQR-OAHLLOKOSA-N 2 2 305.853 4.085 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001203301135 1049541098 /nfs/dbraw/zinc/54/10/98/1049541098.db2.gz DETCYSHGXWKGKX-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001203301135 1049541111 /nfs/dbraw/zinc/54/11/11/1049541111.db2.gz DETCYSHGXWKGKX-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001203301135 1049541122 /nfs/dbraw/zinc/54/11/22/1049541122.db2.gz DETCYSHGXWKGKX-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001203301135 1049541135 /nfs/dbraw/zinc/54/11/35/1049541135.db2.gz DETCYSHGXWKGKX-OAQYLSRUSA-N 2 2 324.468 4.076 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181914198 1049548142 /nfs/dbraw/zinc/54/81/42/1049548142.db2.gz WOMXQUVQUBPGKF-PMACEKPBSA-N 2 2 314.517 4.455 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181914198 1049548155 /nfs/dbraw/zinc/54/81/55/1049548155.db2.gz WOMXQUVQUBPGKF-PMACEKPBSA-N 2 2 314.517 4.455 20 0 DIADLP CC[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC1(C)C ZINC001182031321 1049561113 /nfs/dbraw/zinc/56/11/13/1049561113.db2.gz IDEAQKYNXKZFLZ-GOEBONIOSA-N 2 2 317.864 4.440 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)c2ccccc21 ZINC000629550163 1049573031 /nfs/dbraw/zinc/57/30/31/1049573031.db2.gz JSDXDPBJGUMLFG-OLZOCXBDSA-N 2 2 312.360 4.001 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182634782 1049691401 /nfs/dbraw/zinc/69/14/01/1049691401.db2.gz PCHIDJBCGLNGRN-MSOLQXFVSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182634782 1049691405 /nfs/dbraw/zinc/69/14/05/1049691405.db2.gz PCHIDJBCGLNGRN-MSOLQXFVSA-N 2 2 324.871 4.018 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](C4CCC4)CC3)cc2)c[nH+]1 ZINC001197203105 1049729095 /nfs/dbraw/zinc/72/90/95/1049729095.db2.gz RLRPQTXORDBUKJ-IBGZPJMESA-N 2 2 309.457 4.275 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](C4CCC4)CC3)cc2)c[nH+]1 ZINC001197203105 1049729103 /nfs/dbraw/zinc/72/91/03/1049729103.db2.gz RLRPQTXORDBUKJ-IBGZPJMESA-N 2 2 309.457 4.275 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001206648468 1049776243 /nfs/dbraw/zinc/77/62/43/1049776243.db2.gz ZGRSSQZYOFCTJQ-DLBZAZTESA-N 2 2 308.897 4.124 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001206648468 1049776252 /nfs/dbraw/zinc/77/62/52/1049776252.db2.gz ZGRSSQZYOFCTJQ-DLBZAZTESA-N 2 2 308.897 4.124 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H](C)C2 ZINC000490167447 1049808218 /nfs/dbraw/zinc/80/82/18/1049808218.db2.gz JMWAXYXQMFELGZ-IIBYNOLFSA-N 2 2 317.436 4.204 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001206989552 1049818002 /nfs/dbraw/zinc/81/80/02/1049818002.db2.gz CNWNDXGATVTAKI-SZMVWBNQSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001206989552 1049818011 /nfs/dbraw/zinc/81/80/11/1049818011.db2.gz CNWNDXGATVTAKI-SZMVWBNQSA-N 2 2 306.881 4.050 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207183589 1049854328 /nfs/dbraw/zinc/85/43/28/1049854328.db2.gz CDWVKYMPRSBBCD-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCC2)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001207183589 1049854344 /nfs/dbraw/zinc/85/43/44/1049854344.db2.gz CDWVKYMPRSBBCD-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP c1cn(C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)c2ccccc2)c[nH+]1 ZINC001207293530 1049876195 /nfs/dbraw/zinc/87/61/95/1049876195.db2.gz IOIBTBZPXRIPMX-ACRUOGEOSA-N 2 2 317.436 4.018 20 0 DIADLP CCCC(CCC)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001207314073 1049879493 /nfs/dbraw/zinc/87/94/93/1049879493.db2.gz LZXUYYGOSKFZGZ-HXUWFJFHSA-N 2 2 315.505 4.352 20 0 DIADLP CCCC(CCC)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001207314073 1049879498 /nfs/dbraw/zinc/87/94/98/1049879498.db2.gz LZXUYYGOSKFZGZ-HXUWFJFHSA-N 2 2 315.505 4.352 20 0 DIADLP CC(C)C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571009044 1049919564 /nfs/dbraw/zinc/91/95/64/1049919564.db2.gz FWLKCLKYDDYUDO-NVXWUHKLSA-N 2 2 317.864 4.297 20 0 DIADLP CC/C=C\CCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001208138264 1049976385 /nfs/dbraw/zinc/97/63/85/1049976385.db2.gz MIAAVJARWZUOCW-PLNGDYQASA-N 2 2 318.480 4.468 20 0 DIADLP CC/C=C\CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001208138264 1049976386 /nfs/dbraw/zinc/97/63/86/1049976386.db2.gz MIAAVJARWZUOCW-PLNGDYQASA-N 2 2 318.480 4.468 20 0 DIADLP CC1=C[C@@H](C)[C@@H](C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166934 1049980274 /nfs/dbraw/zinc/98/02/74/1049980274.db2.gz CVPYQSILNNRUCQ-QZTJIDSGSA-N 2 2 304.522 4.318 20 0 DIADLP CC1=C[C@@H](C)[C@@H](C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166934 1049980279 /nfs/dbraw/zinc/98/02/79/1049980279.db2.gz CVPYQSILNNRUCQ-QZTJIDSGSA-N 2 2 304.522 4.318 20 0 DIADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572112043 1049994340 /nfs/dbraw/zinc/99/43/40/1049994340.db2.gz AIGHHHBOMIIIKS-YWZLYKJASA-N 2 2 308.425 4.044 20 0 DIADLP C[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC001208710105 1050004964 /nfs/dbraw/zinc/00/49/64/1050004964.db2.gz PLLLNPCVZDZZKV-QGZVFWFLSA-N 2 2 319.452 4.477 20 0 DIADLP CC/C=C\CC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001208730153 1050006840 /nfs/dbraw/zinc/00/68/40/1050006840.db2.gz QQXZCRVQQXRGKV-YSBDSVRWSA-N 2 2 314.517 4.238 20 0 DIADLP CC/C=C\CC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001208730153 1050006846 /nfs/dbraw/zinc/00/68/46/1050006846.db2.gz QQXZCRVQQXRGKV-YSBDSVRWSA-N 2 2 314.517 4.238 20 0 DIADLP CC/C=C\CC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001208730153 1050006848 /nfs/dbraw/zinc/00/68/48/1050006848.db2.gz QQXZCRVQQXRGKV-YSBDSVRWSA-N 2 2 314.517 4.238 20 0 DIADLP CC/C=C\CC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001208730153 1050006854 /nfs/dbraw/zinc/00/68/54/1050006854.db2.gz QQXZCRVQQXRGKV-YSBDSVRWSA-N 2 2 314.517 4.238 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168389197 1050027816 /nfs/dbraw/zinc/02/78/16/1050027816.db2.gz LKKQHUASCOYBPR-CQSZACIVSA-N 2 2 306.881 4.207 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168389197 1050027820 /nfs/dbraw/zinc/02/78/20/1050027820.db2.gz LKKQHUASCOYBPR-CQSZACIVSA-N 2 2 306.881 4.207 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)s1 ZINC001168390997 1050038121 /nfs/dbraw/zinc/03/81/21/1050038121.db2.gz KBVVHRVSZIEWNV-OAHLLOKOSA-N 2 2 324.921 4.413 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)s1 ZINC001168390997 1050038123 /nfs/dbraw/zinc/03/81/23/1050038123.db2.gz KBVVHRVSZIEWNV-OAHLLOKOSA-N 2 2 324.921 4.413 20 0 DIADLP CC/C=C\CCCCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209286887 1050050844 /nfs/dbraw/zinc/05/08/44/1050050844.db2.gz KNNNDHONTUFYQN-ARJAWSKDSA-N 2 2 304.522 4.321 20 0 DIADLP CC/C=C\CCCCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209286887 1050050848 /nfs/dbraw/zinc/05/08/48/1050050848.db2.gz KNNNDHONTUFYQN-ARJAWSKDSA-N 2 2 304.522 4.321 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000590074107 1050074520 /nfs/dbraw/zinc/07/45/20/1050074520.db2.gz UNPGQADAMWPHFJ-FQEVSTJZSA-N 2 2 319.452 4.373 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)CCC2 ZINC000348070651 1050173876 /nfs/dbraw/zinc/17/38/76/1050173876.db2.gz HFZSGHYLDFIUPY-UKRRQHHQSA-N 2 2 303.837 4.073 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CCC2 ZINC000348070658 1050173936 /nfs/dbraw/zinc/17/39/36/1050173936.db2.gz HFZSGHYLDFIUPY-ZFWWWQNUSA-N 2 2 303.837 4.073 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC ZINC000378883941 1050192751 /nfs/dbraw/zinc/19/27/51/1050192751.db2.gz GSXIHQGUHIXTRM-IBGZPJMESA-N 2 2 321.424 4.122 20 0 DIADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171056581 1050214686 /nfs/dbraw/zinc/21/46/86/1050214686.db2.gz LZJXYLLQIXLODM-QGZVFWFLSA-N 2 2 320.908 4.002 20 0 DIADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171056581 1050214697 /nfs/dbraw/zinc/21/46/97/1050214697.db2.gz LZJXYLLQIXLODM-QGZVFWFLSA-N 2 2 320.908 4.002 20 0 DIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059868 1050425406 /nfs/dbraw/zinc/42/54/06/1050425406.db2.gz YPNHHPFHXPCSCW-WDEREUQCSA-N 2 2 321.317 4.437 20 0 DIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059868 1050425410 /nfs/dbraw/zinc/42/54/10/1050425410.db2.gz YPNHHPFHXPCSCW-WDEREUQCSA-N 2 2 321.317 4.437 20 0 DIADLP Cc1ccc(Oc2cccc(C[NH+]3CCC([NH+](C)C)CC3)c2)cc1 ZINC001144086145 1050456786 /nfs/dbraw/zinc/45/67/86/1050456786.db2.gz NEYATQHADWVHKB-UHFFFAOYSA-N 2 2 324.468 4.313 20 0 DIADLP CC[C@@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1ccccc1C ZINC001171201533 1050627944 /nfs/dbraw/zinc/62/79/44/1050627944.db2.gz OVIKVLQPQJLMGX-WIYYLYMNSA-N 2 2 323.484 4.091 20 0 DIADLP CC[C@@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1ccccc1C ZINC001171201533 1050627955 /nfs/dbraw/zinc/62/79/55/1050627955.db2.gz OVIKVLQPQJLMGX-WIYYLYMNSA-N 2 2 323.484 4.091 20 0 DIADLP C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000846190296 1050692992 /nfs/dbraw/zinc/69/29/92/1050692992.db2.gz PMOZJCZWZGQWJE-RRQGHBQHSA-N 2 2 321.827 4.228 20 0 DIADLP c1cn(Cc2cccc(-c3cccc(C[NH+]4CCCC4)c3)c2)c[nH+]1 ZINC000846779754 1050751792 /nfs/dbraw/zinc/75/17/92/1050751792.db2.gz PFAKWRROPFOMAQ-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393233 1050829721 /nfs/dbraw/zinc/82/97/21/1050829721.db2.gz XJEBJPTVJBHSTC-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000036932191 1051106244 /nfs/dbraw/zinc/10/62/44/1051106244.db2.gz IVJLBVUUFYGKNO-GFCCVEGCSA-N 2 2 321.877 4.116 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000037156383 1051113772 /nfs/dbraw/zinc/11/37/72/1051113772.db2.gz KPSJHNTYFIZRDU-XJKSGUPXSA-N 2 2 305.853 4.302 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000037156363 1051113976 /nfs/dbraw/zinc/11/39/76/1051113976.db2.gz PMZHLGBIFMGJLX-XJKSGUPXSA-N 2 2 305.853 4.302 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000037156385 1051114011 /nfs/dbraw/zinc/11/40/11/1051114011.db2.gz KPSJHNTYFIZRDU-CZUORRHYSA-N 2 2 305.853 4.302 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(F)ccc2Cl)CC1(C)C ZINC001171620177 1051179663 /nfs/dbraw/zinc/17/96/63/1051179663.db2.gz XFAVGFPPVNHOQF-UHFFFAOYSA-N 2 2 312.860 4.220 20 0 DIADLP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC001171622067 1051180219 /nfs/dbraw/zinc/18/02/19/1051180219.db2.gz SEJFPUOMTMYCRE-LBPRGKRZSA-N 2 2 310.432 4.267 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2COc3cc(Cl)ccc32)CC1(C)C ZINC001171627591 1051181938 /nfs/dbraw/zinc/18/19/38/1051181938.db2.gz YESSVTVWYKTYMQ-HNNXBMFYSA-N 2 2 322.880 4.015 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001171671835 1051192649 /nfs/dbraw/zinc/19/26/49/1051192649.db2.gz RYVSBOVMTJYNGZ-SFHVURJKSA-N 2 2 324.468 4.255 20 0 DIADLP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682926 1051193576 /nfs/dbraw/zinc/19/35/76/1051193576.db2.gz YRLIVJFLYDWMFY-ICSRJNTNSA-N 2 2 324.468 4.173 20 0 DIADLP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682926 1051193586 /nfs/dbraw/zinc/19/35/86/1051193586.db2.gz YRLIVJFLYDWMFY-ICSRJNTNSA-N 2 2 324.468 4.173 20 0 DIADLP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682928 1051194878 /nfs/dbraw/zinc/19/48/78/1051194878.db2.gz YRLIVJFLYDWMFY-UYAOXDASSA-N 2 2 324.468 4.173 20 0 DIADLP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682928 1051194881 /nfs/dbraw/zinc/19/48/81/1051194881.db2.gz YRLIVJFLYDWMFY-UYAOXDASSA-N 2 2 324.468 4.173 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326384 1051241837 /nfs/dbraw/zinc/24/18/37/1051241837.db2.gz PCCZYDCNXKIBNR-UZLBHIALSA-N 2 2 317.436 4.080 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326381 1051241952 /nfs/dbraw/zinc/24/19/52/1051241952.db2.gz PCCZYDCNXKIBNR-JXFKEZNVSA-N 2 2 317.436 4.080 20 0 DIADLP C[C@H]([NH2+][C@H]1CSc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327243 1051247552 /nfs/dbraw/zinc/24/75/52/1051247552.db2.gz VPSSDJDSEGDDMH-KSSFIOAISA-N 2 2 321.449 4.370 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC001171966127 1051247601 /nfs/dbraw/zinc/24/76/01/1051247601.db2.gz SLURVBGJRLANKA-SFHVURJKSA-N 2 2 312.457 4.121 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC001171966127 1051247611 /nfs/dbraw/zinc/24/76/11/1051247611.db2.gz SLURVBGJRLANKA-SFHVURJKSA-N 2 2 312.457 4.121 20 0 DIADLP CC1(C)C[C@@H]([NH+]2CCc3occc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171986341 1051272708 /nfs/dbraw/zinc/27/27/08/1051272708.db2.gz HPAZQDCETHYLNR-IBGZPJMESA-N 2 2 324.468 4.081 20 0 DIADLP CC1(C)C[C@@H]([NH+]2CCc3occc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171986341 1051272723 /nfs/dbraw/zinc/27/27/23/1051272723.db2.gz HPAZQDCETHYLNR-IBGZPJMESA-N 2 2 324.468 4.081 20 0 DIADLP CC1(C)C[C@@H]([N@@H+]2CCc3occc3C2)CC[NH+]1Cc1ccccc1 ZINC001171986341 1051272734 /nfs/dbraw/zinc/27/27/34/1051272734.db2.gz HPAZQDCETHYLNR-IBGZPJMESA-N 2 2 324.468 4.081 20 0 DIADLP CC1(C)C[C@@H]([N@H+]2CCc3occc3C2)CC[NH+]1Cc1ccccc1 ZINC001171986341 1051272738 /nfs/dbraw/zinc/27/27/38/1051272738.db2.gz HPAZQDCETHYLNR-IBGZPJMESA-N 2 2 324.468 4.081 20 0 DIADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172319029 1051340336 /nfs/dbraw/zinc/34/03/36/1051340336.db2.gz OKPYWILOKSLGAV-BJLQDIEVSA-N 2 2 318.505 4.007 20 0 DIADLP CC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001172393270 1051393817 /nfs/dbraw/zinc/39/38/17/1051393817.db2.gz JQJZPSRHKHPEHF-GOSISDBHSA-N 2 2 318.505 4.074 20 0 DIADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555595 1051438795 /nfs/dbraw/zinc/43/87/95/1051438795.db2.gz IPVAOCQGGBFHEX-QYZOEREBSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555595 1051438800 /nfs/dbraw/zinc/43/88/00/1051438800.db2.gz IPVAOCQGGBFHEX-QYZOEREBSA-N 2 2 300.490 4.033 20 0 DIADLP Cc1ccc2c(c1)C[C@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)CC2 ZINC001172839056 1051527365 /nfs/dbraw/zinc/52/73/65/1051527365.db2.gz RHGYVZQVBKBZBA-HXUWFJFHSA-N 2 2 317.436 4.047 20 0 DIADLP CC1(C)C[C@@H](Nc2cc(-c3ccncc3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169138286 1051529305 /nfs/dbraw/zinc/52/93/05/1051529305.db2.gz PJNZBPOSZFWDIG-XLIONFOSSA-N 2 2 324.472 4.099 20 0 DIADLP c1cn(C2CCC3(CCCCC3)CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001173121361 1051615385 /nfs/dbraw/zinc/61/53/85/1051615385.db2.gz QBIPJJYQFRROGM-INIZCTEOSA-N 2 2 301.478 4.416 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001173209202 1051647147 /nfs/dbraw/zinc/64/71/47/1051647147.db2.gz WQDQJDNWXLKCMU-IBGZPJMESA-N 2 2 322.496 4.283 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1[nH+]cc(C)c2cc[nH]c21 ZINC001169685850 1051671779 /nfs/dbraw/zinc/67/17/79/1051671779.db2.gz SCWDSTLCOOTUME-MRXNPFEDSA-N 2 2 306.413 4.111 20 0 DIADLP c1cn(C2CC[NH+]([C@@H]3CCCC4(CCCCC4)C3)CC2)c[nH+]1 ZINC001173343023 1051703156 /nfs/dbraw/zinc/70/31/56/1051703156.db2.gz GFKZDVURRZKTQT-GOSISDBHSA-N 2 2 301.478 4.413 20 0 DIADLP F[C@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001173347791 1051704797 /nfs/dbraw/zinc/70/47/97/1051704797.db2.gz ALPLYQRFHGHHTD-GBESFXJTSA-N 2 2 322.512 4.388 20 0 DIADLP F[C@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001173347791 1051704811 /nfs/dbraw/zinc/70/48/11/1051704811.db2.gz ALPLYQRFHGHHTD-GBESFXJTSA-N 2 2 322.512 4.388 20 0 DIADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000767373745 1051799051 /nfs/dbraw/zinc/79/90/51/1051799051.db2.gz BFBCYOIOTSDAIN-MGPUTAFESA-N 2 2 312.457 4.039 20 0 DIADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000767373745 1051799065 /nfs/dbraw/zinc/79/90/65/1051799065.db2.gz BFBCYOIOTSDAIN-MGPUTAFESA-N 2 2 312.457 4.039 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C1CCSCC1)c1ccccc1 ZINC000187204822 1051841288 /nfs/dbraw/zinc/84/12/88/1051841288.db2.gz CEPROCBVCYJQJB-HZPDHXFCSA-N 2 2 320.546 4.237 20 0 DIADLP C[NH+](C)Cc1ccccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001173932317 1051905346 /nfs/dbraw/zinc/90/53/46/1051905346.db2.gz ROXRRYJZQLKUDM-UHFFFAOYSA-N 2 2 309.457 4.482 20 0 DIADLP CC[NH+](CC)Cc1ccc(NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000190381312 1051944221 /nfs/dbraw/zinc/94/42/21/1051944221.db2.gz GWOIUOWHXJONQP-UHFFFAOYSA-N 2 2 322.456 4.097 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3cc[nH+]c(N4CCCC4)c3)ccc21 ZINC001174382436 1052143578 /nfs/dbraw/zinc/14/35/78/1052143578.db2.gz PPISEYNSKHKPAT-UHFFFAOYSA-N 2 2 321.428 4.356 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3c[nH+]ccc3N3CCCC3)ccc21 ZINC001174382453 1052143747 /nfs/dbraw/zinc/14/37/47/1052143747.db2.gz QRXOJOCIYVIWPX-UHFFFAOYSA-N 2 2 321.428 4.356 20 0 DIADLP Cc1ccccc1[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000495023349 1052198611 /nfs/dbraw/zinc/19/86/11/1052198611.db2.gz AMIAYXRQARDMEF-OXJNMPFZSA-N 2 2 309.457 4.097 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000315756093 1052350199 /nfs/dbraw/zinc/35/01/99/1052350199.db2.gz ILGWCTJTKCVXES-PBHICJAKSA-N 2 2 317.502 4.371 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000315938565 1052356796 /nfs/dbraw/zinc/35/67/96/1052356796.db2.gz WUNDIGFILNDTDP-SJORKVTESA-N 2 2 303.425 4.178 20 0 DIADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236607577 1052427532 /nfs/dbraw/zinc/42/75/32/1052427532.db2.gz KEECWEDOYYFQLL-QRQLOZEOSA-N 2 2 315.505 4.101 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000236702130 1052428422 /nfs/dbraw/zinc/42/84/22/1052428422.db2.gz BJHXOTJDOJGUIS-UHFFFAOYSA-N 2 2 321.424 4.324 20 0 DIADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000236920979 1052432614 /nfs/dbraw/zinc/43/26/14/1052432614.db2.gz ZBENPBUUHHGMBW-UHFFFAOYSA-N 2 2 318.848 4.174 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)s2)c1 ZINC001222244407 1052467829 /nfs/dbraw/zinc/46/78/29/1052467829.db2.gz XUFVAHKTMVGAFG-QGZVFWFLSA-N 2 2 318.511 4.195 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)s2)c1 ZINC001222244407 1052467837 /nfs/dbraw/zinc/46/78/37/1052467837.db2.gz XUFVAHKTMVGAFG-QGZVFWFLSA-N 2 2 318.511 4.195 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc12 ZINC001222355631 1052489999 /nfs/dbraw/zinc/48/99/99/1052489999.db2.gz RZZCPICCMYUCBV-OAQYLSRUSA-N 2 2 320.436 4.304 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc12 ZINC001222355631 1052490005 /nfs/dbraw/zinc/49/00/05/1052490005.db2.gz RZZCPICCMYUCBV-OAQYLSRUSA-N 2 2 320.436 4.304 20 0 DIADLP CC(C)C[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000322637427 1052493990 /nfs/dbraw/zinc/49/39/90/1052493990.db2.gz HWYRLQAYULIXOX-MJGOQNOKSA-N 2 2 315.505 4.245 20 0 DIADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222422650 1052498052 /nfs/dbraw/zinc/49/80/52/1052498052.db2.gz WKZCPQLBMAAXNO-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222422650 1052498056 /nfs/dbraw/zinc/49/80/56/1052498056.db2.gz WKZCPQLBMAAXNO-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222428215 1052499224 /nfs/dbraw/zinc/49/92/24/1052499224.db2.gz ZUNZLTWSGAGNMO-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222428215 1052499227 /nfs/dbraw/zinc/49/92/27/1052499227.db2.gz ZUNZLTWSGAGNMO-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222436776 1052500858 /nfs/dbraw/zinc/50/08/58/1052500858.db2.gz ZWZOUOZGHOINRH-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222436776 1052500866 /nfs/dbraw/zinc/50/08/66/1052500866.db2.gz ZWZOUOZGHOINRH-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000763395282 1052622871 /nfs/dbraw/zinc/62/28/71/1052622871.db2.gz LWEDJHIUZGWYAW-IAGOWNOFSA-N 2 2 317.864 4.228 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649381 1052627961 /nfs/dbraw/zinc/62/79/61/1052627961.db2.gz KYMAXXKESKGZIH-VXGBXAGGSA-N 2 2 313.272 4.128 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649381 1052627963 /nfs/dbraw/zinc/62/79/63/1052627963.db2.gz KYMAXXKESKGZIH-VXGBXAGGSA-N 2 2 313.272 4.128 20 0 DIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000125106208 1052645468 /nfs/dbraw/zinc/64/54/68/1052645468.db2.gz HZOHYHMYKOKDMG-LBPRGKRZSA-N 2 2 321.534 4.026 20 0 DIADLP c1csc(-c2ccc(C[NH+]3CCC4(CCC[NH2+]4)CC3)s2)c1 ZINC001226783860 1052930723 /nfs/dbraw/zinc/93/07/23/1052930723.db2.gz HOZYLSVYZMQHLG-UHFFFAOYSA-N 2 2 318.511 4.195 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001474625240 1053064991 /nfs/dbraw/zinc/06/49/91/1053064991.db2.gz KOLHSBYAJCIYQC-YXJHDRRASA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001474625240 1053065000 /nfs/dbraw/zinc/06/50/00/1053065000.db2.gz KOLHSBYAJCIYQC-YXJHDRRASA-N 2 2 320.908 4.439 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956749 1053196752 /nfs/dbraw/zinc/19/67/52/1053196752.db2.gz JHIQKOJAHVNKSM-YUTCNCBUSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956749 1053196756 /nfs/dbraw/zinc/19/67/56/1053196756.db2.gz JHIQKOJAHVNKSM-YUTCNCBUSA-N 2 2 313.272 4.271 20 0 DIADLP CCCC[C@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318897745 1053203140 /nfs/dbraw/zinc/20/31/40/1053203140.db2.gz QWYFCPQSZUKOJS-HNNXBMFYSA-N 2 2 314.433 4.121 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261918086 1053544152 /nfs/dbraw/zinc/54/41/52/1053544152.db2.gz REQAPLUOHLWVJZ-KSZLIROESA-N 2 2 310.441 4.336 20 0 DIADLP CC(C)(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000619779152 1053558907 /nfs/dbraw/zinc/55/89/07/1053558907.db2.gz UIEJHIJRPXAYCV-UHFFFAOYSA-N 2 2 319.452 4.330 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001200389477 1053621611 /nfs/dbraw/zinc/62/16/11/1053621611.db2.gz CGCWBSPTAZRCIN-VXIBKDFQSA-N 2 2 300.490 4.284 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268701163 1053767130 /nfs/dbraw/zinc/76/71/30/1053767130.db2.gz FRBZBODSHNCXKW-MGPUTAFESA-N 2 2 303.409 4.210 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268693817 1053767593 /nfs/dbraw/zinc/76/75/93/1053767593.db2.gz AIKKMIYCEHTZQS-CVEARBPZSA-N 2 2 321.424 4.293 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2cc(C(C)C)c(OC)cc2C)CC1 ZINC001231628789 1053808904 /nfs/dbraw/zinc/80/89/04/1053808904.db2.gz LWZVRPGQBSWWJW-UHFFFAOYSA-N 2 2 318.505 4.043 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(C(C)C)c(OC)cc2C)CC1 ZINC001231628789 1053808929 /nfs/dbraw/zinc/80/89/29/1053808929.db2.gz LWZVRPGQBSWWJW-UHFFFAOYSA-N 2 2 318.505 4.043 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(Cl)cs1 ZINC001232280989 1054013671 /nfs/dbraw/zinc/01/36/71/1054013671.db2.gz WDFZCUAZOPTQPO-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(Cl)cs1 ZINC001232280989 1054013685 /nfs/dbraw/zinc/01/36/85/1054013685.db2.gz WDFZCUAZOPTQPO-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cs1 ZINC001232280989 1054013696 /nfs/dbraw/zinc/01/36/96/1054013696.db2.gz WDFZCUAZOPTQPO-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC001232280989 1054013704 /nfs/dbraw/zinc/01/37/04/1054013704.db2.gz WDFZCUAZOPTQPO-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP CC(C)c1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000848525754 1054125013 /nfs/dbraw/zinc/12/50/13/1054125013.db2.gz TYZRWVFEVKSKBF-UHFFFAOYSA-N 2 2 319.452 4.345 20 0 DIADLP C[N@H+](Cc1ccc(C2CC2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232986663 1054166218 /nfs/dbraw/zinc/16/62/18/1054166218.db2.gz WMPFMFBBPDIVLS-UHFFFAOYSA-N 2 2 317.436 4.382 20 0 DIADLP C[N@@H+](Cc1ccc(C2CC2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232986663 1054166228 /nfs/dbraw/zinc/16/62/28/1054166228.db2.gz WMPFMFBBPDIVLS-UHFFFAOYSA-N 2 2 317.436 4.382 20 0 DIADLP CC(C)[N@H+](Cc1csc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001233176897 1054196741 /nfs/dbraw/zinc/19/67/41/1054196741.db2.gz AJATUVSVVOXDOH-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)[N@@H+](Cc1csc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001233176897 1054196744 /nfs/dbraw/zinc/19/67/44/1054196744.db2.gz AJATUVSVVOXDOH-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001233250953 1054217026 /nfs/dbraw/zinc/21/70/26/1054217026.db2.gz HFDRUESUEVITJW-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001233250953 1054217036 /nfs/dbraw/zinc/21/70/36/1054217036.db2.gz HFDRUESUEVITJW-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP CC[N@H+](Cc1ccc(Cc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001233331120 1054235383 /nfs/dbraw/zinc/23/53/83/1054235383.db2.gz HXTSHFMQAJYIDR-UHFFFAOYSA-N 2 2 322.496 4.194 20 0 DIADLP CC[N@@H+](Cc1ccc(Cc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001233331120 1054235390 /nfs/dbraw/zinc/23/53/90/1054235390.db2.gz HXTSHFMQAJYIDR-UHFFFAOYSA-N 2 2 322.496 4.194 20 0 DIADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)sc1C ZINC001233700861 1054337222 /nfs/dbraw/zinc/33/72/22/1054337222.db2.gz UILSLWGRLOYIDA-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)sc1C ZINC001233700861 1054337246 /nfs/dbraw/zinc/33/72/46/1054337246.db2.gz UILSLWGRLOYIDA-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000177582957 1054623143 /nfs/dbraw/zinc/62/31/43/1054623143.db2.gz IQRNEHOTHQNFHN-KXBFYZLASA-N 2 2 316.489 4.290 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000177935443 1054638329 /nfs/dbraw/zinc/63/83/29/1054638329.db2.gz ISVDTHCQKFSSES-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177935418 1054639605 /nfs/dbraw/zinc/63/96/05/1054639605.db2.gz MZXDYMBNIYWIHG-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1ccc(Oc2cccc(C[N@@H+]3CCC34CC[NH2+]CC4)c2)cc1 ZINC001235101977 1054655936 /nfs/dbraw/zinc/65/59/36/1054655936.db2.gz JQJBQMNRDJMHTO-UHFFFAOYSA-N 2 2 322.452 4.115 20 0 DIADLP Cc1ccc(Oc2cccc(C[N@H+]3CCC34CC[NH2+]CC4)c2)cc1 ZINC001235101977 1054655945 /nfs/dbraw/zinc/65/59/45/1054655945.db2.gz JQJBQMNRDJMHTO-UHFFFAOYSA-N 2 2 322.452 4.115 20 0 DIADLP CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000623696457 1054656271 /nfs/dbraw/zinc/65/62/71/1054656271.db2.gz FEECZNDEXVEZSM-UHFFFAOYSA-N 2 2 313.417 4.095 20 0 DIADLP Fc1ccc(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001235114393 1054658786 /nfs/dbraw/zinc/65/87/86/1054658786.db2.gz CRKSRXPFTGKYFK-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001235114393 1054658793 /nfs/dbraw/zinc/65/87/93/1054658793.db2.gz CRKSRXPFTGKYFK-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235111051 1054660262 /nfs/dbraw/zinc/66/02/62/1054660262.db2.gz OGVKRSDNMRGNEN-QFIPXVFZSA-N 2 2 320.480 4.298 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235111051 1054660269 /nfs/dbraw/zinc/66/02/69/1054660269.db2.gz OGVKRSDNMRGNEN-QFIPXVFZSA-N 2 2 320.480 4.298 20 0 DIADLP c1ccc(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001235123472 1054661952 /nfs/dbraw/zinc/66/19/52/1054661952.db2.gz JZFIJBZXYLQMDD-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001235123472 1054661961 /nfs/dbraw/zinc/66/19/61/1054661961.db2.gz JZFIJBZXYLQMDD-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c2)cc1 ZINC001235115501 1054662890 /nfs/dbraw/zinc/66/28/90/1054662890.db2.gz BECNRGZFDMIKKC-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c2)cc1 ZINC001235115501 1054662897 /nfs/dbraw/zinc/66/28/97/1054662897.db2.gz BECNRGZFDMIKKC-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001235115500 1054663076 /nfs/dbraw/zinc/66/30/76/1054663076.db2.gz BECNRGZFDMIKKC-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001235115500 1054663080 /nfs/dbraw/zinc/66/30/80/1054663080.db2.gz BECNRGZFDMIKKC-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP Clc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCC2)cc1 ZINC000179671140 1054694547 /nfs/dbraw/zinc/69/45/47/1054694547.db2.gz KRXSYLAEVUFDSA-QGZVFWFLSA-N 2 2 303.837 4.058 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000179906140 1054714539 /nfs/dbraw/zinc/71/45/39/1054714539.db2.gz MLQWHLCZGIRVPY-YOEHRIQHSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000179906140 1054714553 /nfs/dbraw/zinc/71/45/53/1054714553.db2.gz MLQWHLCZGIRVPY-YOEHRIQHSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906140 1054714564 /nfs/dbraw/zinc/71/45/64/1054714564.db2.gz MLQWHLCZGIRVPY-YOEHRIQHSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906140 1054714578 /nfs/dbraw/zinc/71/45/78/1054714578.db2.gz MLQWHLCZGIRVPY-YOEHRIQHSA-N 2 2 316.420 4.000 20 0 DIADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C)sc1C ZINC000623870444 1054804801 /nfs/dbraw/zinc/80/48/01/1054804801.db2.gz ZTMFPCCHTJKZTN-KRWDZBQOSA-N 2 2 305.491 4.473 20 0 DIADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891421 1054833268 /nfs/dbraw/zinc/83/32/68/1054833268.db2.gz IFORZDILISWURS-UKRRQHHQSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891421 1054833275 /nfs/dbraw/zinc/83/32/75/1054833275.db2.gz IFORZDILISWURS-UKRRQHHQSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907631 1054844621 /nfs/dbraw/zinc/84/46/21/1054844621.db2.gz RIXWCVSGRIVSLP-PBHICJAKSA-N 2 2 314.860 4.319 20 0 DIADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907631 1054844628 /nfs/dbraw/zinc/84/46/28/1054844628.db2.gz RIXWCVSGRIVSLP-PBHICJAKSA-N 2 2 314.860 4.319 20 0 DIADLP Cc1cc2[nH+]ccn2cc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236010759 1054894208 /nfs/dbraw/zinc/89/42/08/1054894208.db2.gz FNZLPLULEBOLFL-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP Fc1c(C[NH+]2CCCCC2)cccc1-c1ccc2[nH+]ccn2c1 ZINC001236012205 1054896471 /nfs/dbraw/zinc/89/64/71/1054896471.db2.gz NWHIOWZAIYFSOT-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236051866 1054916080 /nfs/dbraw/zinc/91/60/80/1054916080.db2.gz OALSYUIMDHDEEH-FOIQADDNSA-N 2 2 308.469 4.140 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236051866 1054916096 /nfs/dbraw/zinc/91/60/96/1054916096.db2.gz OALSYUIMDHDEEH-FOIQADDNSA-N 2 2 308.469 4.140 20 0 DIADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])c1ccccc1 ZINC001236108155 1054952003 /nfs/dbraw/zinc/95/20/03/1054952003.db2.gz JHYHYOIHXKMGNU-MSOLQXFVSA-N 2 2 312.482 4.245 20 0 DIADLP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])c1ccccc1 ZINC001236108155 1054952010 /nfs/dbraw/zinc/95/20/10/1054952010.db2.gz JHYHYOIHXKMGNU-MSOLQXFVSA-N 2 2 312.482 4.245 20 0 DIADLP CC[N@H+](CC[NH2+]C)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236144396 1054967656 /nfs/dbraw/zinc/96/76/56/1054967656.db2.gz SIKXQZPFKJKMFL-UHFFFAOYSA-N 2 2 302.849 4.048 20 0 DIADLP CC[N@@H+](CC[NH2+]C)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236144396 1054967666 /nfs/dbraw/zinc/96/76/66/1054967666.db2.gz SIKXQZPFKJKMFL-UHFFFAOYSA-N 2 2 302.849 4.048 20 0 DIADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212440 1055000661 /nfs/dbraw/zinc/00/06/61/1055000661.db2.gz LPRMRIIHHCYSTC-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212440 1055000676 /nfs/dbraw/zinc/00/06/76/1055000676.db2.gz LPRMRIIHHCYSTC-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1sc(Cl)c2ccccc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218068 1055007331 /nfs/dbraw/zinc/00/73/31/1055007331.db2.gz RIPHWWGEKJABFP-KBPBESRZSA-N 2 2 308.878 4.256 20 0 DIADLP C[N@@H+](Cc1sc(Cl)c2ccccc21)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218068 1055007345 /nfs/dbraw/zinc/00/73/45/1055007345.db2.gz RIPHWWGEKJABFP-KBPBESRZSA-N 2 2 308.878 4.256 20 0 DIADLP C[N@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218845 1055008937 /nfs/dbraw/zinc/00/89/37/1055008937.db2.gz UFFIDULUXOCZHW-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218845 1055008952 /nfs/dbraw/zinc/00/89/52/1055008952.db2.gz UFFIDULUXOCZHW-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220815 1055011315 /nfs/dbraw/zinc/01/13/15/1055011315.db2.gz ZJPHVFPLPKYSPC-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220815 1055011329 /nfs/dbraw/zinc/01/13/29/1055011329.db2.gz ZJPHVFPLPKYSPC-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c2[nH+]ccn2c1 ZINC001236249310 1055034220 /nfs/dbraw/zinc/03/42/20/1055034220.db2.gz RWXIKMFCRMHAFO-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2[nH+]ccc3c2ccn3C)c1 ZINC001236318017 1055055121 /nfs/dbraw/zinc/05/51/21/1055055121.db2.gz NBMKBUDNOIYMDE-UHFFFAOYSA-N 2 2 311.404 4.221 20 0 DIADLP CC(C)c1nc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236372965 1055079204 /nfs/dbraw/zinc/07/92/04/1055079204.db2.gz FTBMJTHARVYVDL-OAHLLOKOSA-N 2 2 321.534 4.011 20 0 DIADLP CC(C)c1nc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236372965 1055079215 /nfs/dbraw/zinc/07/92/15/1055079215.db2.gz FTBMJTHARVYVDL-OAHLLOKOSA-N 2 2 321.534 4.011 20 0 DIADLP CC[N@@H+](Cc1cc(Cl)cc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409808 1055100520 /nfs/dbraw/zinc/10/05/20/1055100520.db2.gz WYASZMCKQDVXSQ-SNVBAGLBSA-N 2 2 321.679 4.078 20 0 DIADLP CC[N@H+](Cc1cc(Cl)cc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409808 1055100523 /nfs/dbraw/zinc/10/05/23/1055100523.db2.gz WYASZMCKQDVXSQ-SNVBAGLBSA-N 2 2 321.679 4.078 20 0 DIADLP CC[N@@H+](Cc1cc(Cl)cc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409807 1055101091 /nfs/dbraw/zinc/10/10/91/1055101091.db2.gz WYASZMCKQDVXSQ-JTQLQIEISA-N 2 2 321.679 4.078 20 0 DIADLP CC[N@H+](Cc1cc(Cl)cc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409807 1055101096 /nfs/dbraw/zinc/10/10/96/1055101096.db2.gz WYASZMCKQDVXSQ-JTQLQIEISA-N 2 2 321.679 4.078 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1 ZINC001236436973 1055113055 /nfs/dbraw/zinc/11/30/55/1055113055.db2.gz SHTGMUCWPVMVMV-UHFFFAOYSA-N 2 2 319.452 4.344 20 0 DIADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(-c2ccc(F)cc2)c(C)c1 ZINC001236883307 1055301715 /nfs/dbraw/zinc/30/17/15/1055301715.db2.gz BJGINXVQCTXNQA-IBGZPJMESA-N 2 2 314.448 4.279 20 0 DIADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(-c2ccc(F)cc2)c(C)c1 ZINC001236883307 1055301732 /nfs/dbraw/zinc/30/17/32/1055301732.db2.gz BJGINXVQCTXNQA-IBGZPJMESA-N 2 2 314.448 4.279 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(F)c3ccoc32)CC1 ZINC001236901644 1055305750 /nfs/dbraw/zinc/30/57/50/1055305750.db2.gz QXDQJWUYYSKWNL-UHFFFAOYSA-N 2 2 316.420 4.022 20 0 DIADLP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902867 1055306739 /nfs/dbraw/zinc/30/67/39/1055306739.db2.gz JPQUIOMWNBRASJ-OKILXGFUSA-N 2 2 303.837 4.289 20 0 DIADLP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902867 1055306759 /nfs/dbraw/zinc/30/67/59/1055306759.db2.gz JPQUIOMWNBRASJ-OKILXGFUSA-N 2 2 303.837 4.289 20 0 DIADLP CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236911236 1055311574 /nfs/dbraw/zinc/31/15/74/1055311574.db2.gz WDHCHRSQZFJXAJ-HNNXBMFYSA-N 2 2 303.837 4.290 20 0 DIADLP CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236911236 1055311596 /nfs/dbraw/zinc/31/15/96/1055311596.db2.gz WDHCHRSQZFJXAJ-HNNXBMFYSA-N 2 2 303.837 4.290 20 0 DIADLP Clc1cc(C[N@@H+]2CCCCC23CC3)ccc1-n1cc[nH+]c1 ZINC001236911084 1055312248 /nfs/dbraw/zinc/31/22/48/1055312248.db2.gz IAJXVCWJSKCEBB-UHFFFAOYSA-N 2 2 301.821 4.044 20 0 DIADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H]1C ZINC001236918419 1055315449 /nfs/dbraw/zinc/31/54/49/1055315449.db2.gz BQSJDEDHHYQBPS-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H]1C ZINC001236918419 1055315465 /nfs/dbraw/zinc/31/54/65/1055315465.db2.gz BQSJDEDHHYQBPS-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1C ZINC001236918405 1055315727 /nfs/dbraw/zinc/31/57/27/1055315727.db2.gz BQSJDEDHHYQBPS-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1C ZINC001236918405 1055315744 /nfs/dbraw/zinc/31/57/44/1055315744.db2.gz BQSJDEDHHYQBPS-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236916651 1055317495 /nfs/dbraw/zinc/31/74/95/1055317495.db2.gz NSQHPIABTPDVGF-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236916651 1055317509 /nfs/dbraw/zinc/31/75/09/1055317509.db2.gz NSQHPIABTPDVGF-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP CC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236918581 1055319218 /nfs/dbraw/zinc/31/92/18/1055319218.db2.gz CRDSNKWGKSRTOF-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(s1)CCC2 ZINC000765248564 1055345322 /nfs/dbraw/zinc/34/53/22/1055345322.db2.gz FQCDLNZCUJPGIK-CXAGYDPISA-N 2 2 317.502 4.199 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2ccccc2n1 ZINC000765253607 1055346019 /nfs/dbraw/zinc/34/60/19/1055346019.db2.gz GWRWWYXPPJAORT-HNAYVOBHSA-N 2 2 322.456 4.197 20 0 DIADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@H]1CC1(C)C ZINC000785432516 1055378070 /nfs/dbraw/zinc/37/80/70/1055378070.db2.gz UQMNONKVUNVWRM-HNAYVOBHSA-N 2 2 315.505 4.064 20 0 DIADLP Clc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237146504 1055383846 /nfs/dbraw/zinc/38/38/46/1055383846.db2.gz SMIWZHWNINJHEN-AWEZNQCLSA-N 2 2 313.272 4.100 20 0 DIADLP Clc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237146504 1055383859 /nfs/dbraw/zinc/38/38/59/1055383859.db2.gz SMIWZHWNINJHEN-AWEZNQCLSA-N 2 2 313.272 4.100 20 0 DIADLP Cc1c(Cl)ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1C ZINC001237162126 1055390661 /nfs/dbraw/zinc/39/06/61/1055390661.db2.gz SPESESJUARAUFM-QGZVFWFLSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1c(Cl)ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1C ZINC001237162126 1055390676 /nfs/dbraw/zinc/39/06/76/1055390676.db2.gz SPESESJUARAUFM-QGZVFWFLSA-N 2 2 306.881 4.063 20 0 DIADLP Clc1sc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237413953 1055451565 /nfs/dbraw/zinc/45/15/65/1055451565.db2.gz LCNKBJFMTYMAFO-IUODEOHRSA-N 2 2 320.889 4.129 20 0 DIADLP Clc1sc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237413953 1055451569 /nfs/dbraw/zinc/45/15/69/1055451569.db2.gz LCNKBJFMTYMAFO-IUODEOHRSA-N 2 2 320.889 4.129 20 0 DIADLP C[C@@H]([NH2+]C/C=C/c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890403 1055514710 /nfs/dbraw/zinc/51/47/10/1055514710.db2.gz LSFMZBXTQBVLNS-LLCTXKFZSA-N 2 2 321.399 4.375 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000387201230 1055549420 /nfs/dbraw/zinc/54/94/20/1055549420.db2.gz DKMVNAZPLNTLCI-MCIONIFRSA-N 2 2 317.399 4.009 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)s1 ZINC001238117838 1055608617 /nfs/dbraw/zinc/60/86/17/1055608617.db2.gz DDYBHJCXEUVHHQ-CQSZACIVSA-N 2 2 317.845 4.386 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)s1 ZINC001238117838 1055608621 /nfs/dbraw/zinc/60/86/21/1055608621.db2.gz DDYBHJCXEUVHHQ-CQSZACIVSA-N 2 2 317.845 4.386 20 0 DIADLP Clc1cccc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238111726 1055609318 /nfs/dbraw/zinc/60/93/18/1055609318.db2.gz WVRSVCKYFYCNTA-GOSISDBHSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1cccc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238111726 1055609330 /nfs/dbraw/zinc/60/93/30/1055609330.db2.gz WVRSVCKYFYCNTA-GOSISDBHSA-N 2 2 311.816 4.325 20 0 DIADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](CC(C)(C)OCC)C2)C1 ZINC001278211483 1055633218 /nfs/dbraw/zinc/63/32/18/1055633218.db2.gz OFOAHUAYYSFPLK-SFHVURJKSA-N 2 2 324.553 4.026 20 0 DIADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](CC(C)(C)OCC)C2)C1 ZINC001278211483 1055633230 /nfs/dbraw/zinc/63/32/30/1055633230.db2.gz OFOAHUAYYSFPLK-SFHVURJKSA-N 2 2 324.553 4.026 20 0 DIADLP Clc1ccsc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000338569598 1055635928 /nfs/dbraw/zinc/63/59/28/1055635928.db2.gz VSEYMROFJMCYNH-UHFFFAOYSA-N 2 2 323.893 4.290 20 0 DIADLP CC[N@H+](Cc1c(C)cc(OC(C)C)cc1C)C1CC[NH+](C)CC1 ZINC001238664734 1055711696 /nfs/dbraw/zinc/71/16/96/1055711696.db2.gz QVFOASWSIYPOND-UHFFFAOYSA-N 2 2 318.505 4.007 20 0 DIADLP CC[N@@H+](Cc1c(C)cc(OC(C)C)cc1C)C1CC[NH+](C)CC1 ZINC001238664734 1055711706 /nfs/dbraw/zinc/71/17/06/1055711706.db2.gz QVFOASWSIYPOND-UHFFFAOYSA-N 2 2 318.505 4.007 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3csc4ccccc34)c2)C1 ZINC001238892154 1055783992 /nfs/dbraw/zinc/78/39/92/1055783992.db2.gz FKQLRGOVZFXKMY-INIZCTEOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3csc4ccccc34)c2)C1 ZINC001238892154 1055784003 /nfs/dbraw/zinc/78/40/03/1055784003.db2.gz FKQLRGOVZFXKMY-INIZCTEOSA-N 2 2 308.450 4.101 20 0 DIADLP Cc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1C ZINC000060832392 1055852110 /nfs/dbraw/zinc/85/21/10/1055852110.db2.gz ZTIDSRYFBCOCAU-OAQYLSRUSA-N 2 2 308.469 4.230 20 0 DIADLP CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347600702 1055875987 /nfs/dbraw/zinc/87/59/87/1055875987.db2.gz AODPMZIXDTYJAP-KRWDZBQOSA-N 2 2 317.502 4.178 20 0 DIADLP CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347600702 1055875994 /nfs/dbraw/zinc/87/59/94/1055875994.db2.gz AODPMZIXDTYJAP-KRWDZBQOSA-N 2 2 317.502 4.178 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001620793454 1055971590 /nfs/dbraw/zinc/97/15/90/1055971590.db2.gz VJPWZDNDJOZYNZ-QZTJIDSGSA-N 2 2 324.578 4.154 20 0 DIADLP Cc1scc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000399861987 1055977043 /nfs/dbraw/zinc/97/70/43/1055977043.db2.gz DNOBAVUMKWABPD-CQSZACIVSA-N 2 2 311.454 4.401 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748199 1055992071 /nfs/dbraw/zinc/99/20/71/1055992071.db2.gz MXKKSGVZBPNFQC-YZGWKJHDSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748199 1055992086 /nfs/dbraw/zinc/99/20/86/1055992086.db2.gz MXKKSGVZBPNFQC-YZGWKJHDSA-N 2 2 314.517 4.455 20 0 DIADLP Cc1cc(C)c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1C ZINC001621045836 1056007054 /nfs/dbraw/zinc/00/70/54/1056007054.db2.gz JOTHDNIKERDVKQ-NRFANRHFSA-N 2 2 319.452 4.339 20 0 DIADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474471154 1056316229 /nfs/dbraw/zinc/31/62/29/1056316229.db2.gz AZUXATZKZGKAGC-QQFBHYJXSA-N 2 2 320.443 4.065 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716745 1056344434 /nfs/dbraw/zinc/34/44/34/1056344434.db2.gz DIXUNHXWRKHNDB-LBDPXKHJSA-N 2 2 322.459 4.310 20 0 DIADLP Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2)cn2cc[nH+]c12 ZINC001240173845 1056361828 /nfs/dbraw/zinc/36/18/28/1056361828.db2.gz HEEHJQZOILKTPX-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP CCCCCc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001241034261 1056833364 /nfs/dbraw/zinc/83/33/64/1056833364.db2.gz UQLZTNCZAIQBCM-UHFFFAOYSA-N 2 2 319.452 4.421 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001617883750 1056896466 /nfs/dbraw/zinc/89/64/66/1056896466.db2.gz VTDSJDNZWXZADN-GUDVDZBRSA-N 2 2 320.908 4.440 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001617883750 1056896473 /nfs/dbraw/zinc/89/64/73/1056896473.db2.gz VTDSJDNZWXZADN-GUDVDZBRSA-N 2 2 320.908 4.440 20 0 DIADLP CC[N@@H+]1CCCC[C@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)nc1 ZINC001241239771 1056975391 /nfs/dbraw/zinc/97/53/91/1056975391.db2.gz CVNFBYVHDIHQDV-IBGZPJMESA-N 2 2 324.472 4.065 20 0 DIADLP CC[N@H+]1CCCC[C@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)nc1 ZINC001241239771 1056975397 /nfs/dbraw/zinc/97/53/97/1056975397.db2.gz CVNFBYVHDIHQDV-IBGZPJMESA-N 2 2 324.472 4.065 20 0 DIADLP CC[NH+](CC)Cc1cccc(-c2c[nH+]c(N(C)C)cc2C)c1F ZINC001241251382 1056980835 /nfs/dbraw/zinc/98/08/35/1056980835.db2.gz KEDDVUCMOGDQND-UHFFFAOYSA-N 2 2 315.436 4.104 20 0 DIADLP CCCCOc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241294696 1057001084 /nfs/dbraw/zinc/00/10/84/1057001084.db2.gz JIABGURNMXCEQO-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241294696 1057001086 /nfs/dbraw/zinc/00/10/86/1057001086.db2.gz JIABGURNMXCEQO-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP CC(C)Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241326247 1057014826 /nfs/dbraw/zinc/01/48/26/1057014826.db2.gz CEAXEPRLEGKMOE-FQEVSTJZSA-N 2 2 308.469 4.085 20 0 DIADLP CC(C)Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241326247 1057014831 /nfs/dbraw/zinc/01/48/31/1057014831.db2.gz CEAXEPRLEGKMOE-FQEVSTJZSA-N 2 2 308.469 4.085 20 0 DIADLP Cc1c(-c2ccc(C[NH+]3CCCCC3)cc2)ccc2[nH+]ccn21 ZINC001241390138 1057035403 /nfs/dbraw/zinc/03/54/03/1057035403.db2.gz JLZMPQJKRGVCDI-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP c1cc(-c2ccc(C[NH+]3CCCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC001241389507 1057035518 /nfs/dbraw/zinc/03/55/18/1057035518.db2.gz XAZJAGWBDCZZQA-UHFFFAOYSA-N 2 2 321.468 4.335 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4ccsc43)cc2)C1 ZINC001241405038 1057042472 /nfs/dbraw/zinc/04/24/72/1057042472.db2.gz VTZBFFQAAITNLU-QGZVFWFLSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4ccsc43)cc2)C1 ZINC001241405038 1057042478 /nfs/dbraw/zinc/04/24/78/1057042478.db2.gz VTZBFFQAAITNLU-QGZVFWFLSA-N 2 2 308.450 4.101 20 0 DIADLP CC[NH+](CC)Cc1ccc(-c2cc3[nH]c[nH+]c3cc2OC)cc1 ZINC001241580641 1057096637 /nfs/dbraw/zinc/09/66/37/1057096637.db2.gz JYFWDNXDRQQNQQ-UHFFFAOYSA-N 2 2 309.413 4.080 20 0 DIADLP Cc1[nH+]ccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1C ZINC001241759924 1057159245 /nfs/dbraw/zinc/15/92/45/1057159245.db2.gz OTSBDQZPRLDXRM-UHFFFAOYSA-N 2 2 310.441 4.230 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)c4ccccc43)c2)C1 ZINC001241903727 1057206264 /nfs/dbraw/zinc/20/62/64/1057206264.db2.gz NJJGXEPMJFIWIW-KRWDZBQOSA-N 2 2 320.411 4.179 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)c4ccccc43)c2)C1 ZINC001241903727 1057206271 /nfs/dbraw/zinc/20/62/71/1057206271.db2.gz NJJGXEPMJFIWIW-KRWDZBQOSA-N 2 2 320.411 4.179 20 0 DIADLP Cc1cc(-c2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)cc(C)[nH+]1 ZINC001241992447 1057232683 /nfs/dbraw/zinc/23/26/83/1057232683.db2.gz OAYHHWNQZWVEEV-SFHVURJKSA-N 2 2 320.440 4.030 20 0 DIADLP CCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000675817568 1057418377 /nfs/dbraw/zinc/41/83/77/1057418377.db2.gz VEMFXKUTNMJBKT-OXJNMPFZSA-N 2 2 320.440 4.459 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918217 1057430741 /nfs/dbraw/zinc/43/07/41/1057430741.db2.gz FHNREIGHXUELOD-WOJBJXKFSA-N 2 2 319.452 4.445 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000510537261 1057616232 /nfs/dbraw/zinc/61/62/32/1057616232.db2.gz HOMCMGMGVHAPBC-FQEVSTJZSA-N 2 2 317.436 4.456 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000510537261 1057616237 /nfs/dbraw/zinc/61/62/37/1057616237.db2.gz HOMCMGMGVHAPBC-FQEVSTJZSA-N 2 2 317.436 4.456 20 0 DIADLP CC[NH+](CC)Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243338982 1057652159 /nfs/dbraw/zinc/65/21/59/1057652159.db2.gz ZUFDKJQFTGKMJR-UHFFFAOYSA-N 2 2 319.452 4.440 20 0 DIADLP CCCC[C@H](CC)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000525874997 1057656687 /nfs/dbraw/zinc/65/66/87/1057656687.db2.gz DMKHVXLDSXZLFS-KRWDZBQOSA-N 2 2 303.494 4.247 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000166826239 1057677407 /nfs/dbraw/zinc/67/74/07/1057677407.db2.gz HJQBFGFKUNMKMM-NJDAHSKKSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000166826239 1057677409 /nfs/dbraw/zinc/67/74/09/1057677409.db2.gz HJQBFGFKUNMKMM-NJDAHSKKSA-N 2 2 324.443 4.132 20 0 DIADLP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-c1ccc[nH+]c1N ZINC001243478363 1057691855 /nfs/dbraw/zinc/69/18/55/1057691855.db2.gz XFMVVMXJOIDORY-UHFFFAOYSA-N 2 2 323.362 4.191 20 0 DIADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc(C4CCCC4)cc3)ccn12 ZINC001243492919 1057695544 /nfs/dbraw/zinc/69/55/44/1057695544.db2.gz SULIFVMKKFBRPA-UHFFFAOYSA-N 2 2 317.436 4.346 20 0 DIADLP CC[NH+](CC)Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243660229 1057746910 /nfs/dbraw/zinc/74/69/10/1057746910.db2.gz QRPWAUBMUJFJHD-UHFFFAOYSA-N 2 2 319.452 4.440 20 0 DIADLP c1cn(Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]C4)cc3)cc2)c[nH+]1 ZINC001243659566 1057747307 /nfs/dbraw/zinc/74/73/07/1057747307.db2.gz YSGZXPALPOPSPJ-OAQYLSRUSA-N 2 2 317.436 4.065 20 0 DIADLP c1c[nH+]c(-c2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc2)[nH]1 ZINC001243977757 1057827441 /nfs/dbraw/zinc/82/74/41/1057827441.db2.gz VWNXDXNMVCQRNX-UHFFFAOYSA-N 2 2 303.409 4.211 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(C3CCC3)cc2)C1 ZINC001244944779 1058077717 /nfs/dbraw/zinc/07/77/17/1058077717.db2.gz VLJSQPATOLALJY-FQEVSTJZSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C3CCC3)cc2)C1 ZINC001244944779 1058077721 /nfs/dbraw/zinc/07/77/21/1058077721.db2.gz VLJSQPATOLALJY-FQEVSTJZSA-N 2 2 306.453 4.154 20 0 DIADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245349401 1058149735 /nfs/dbraw/zinc/14/97/35/1058149735.db2.gz DYZNGWJCEKMKLI-HXUWFJFHSA-N 2 2 321.468 4.472 20 0 DIADLP C[NH+](C)Cc1c(F)cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1F ZINC001245356378 1058151008 /nfs/dbraw/zinc/15/10/08/1058151008.db2.gz KSOZCJVMQDBMLE-LJQANCHMSA-N 2 2 316.395 4.118 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246074782 1058666468 /nfs/dbraw/zinc/66/64/68/1058666468.db2.gz FMGYLXZCJODFSX-CYZMBNFOSA-N 2 2 301.261 4.175 20 0 DIADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246116501 1058684940 /nfs/dbraw/zinc/68/49/40/1058684940.db2.gz MXJKEXBXNXKUSO-GHJWDPDVSA-N 2 2 315.288 4.421 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1F ZINC001246160432 1058702960 /nfs/dbraw/zinc/70/29/60/1058702960.db2.gz MXQXTJRYYZBHEN-AWEZNQCLSA-N 2 2 324.871 4.332 20 0 DIADLP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246163955 1058708592 /nfs/dbraw/zinc/70/85/92/1058708592.db2.gz RIMDRJCULRJILO-WBVHZDCISA-N 2 2 318.823 4.062 20 0 DIADLP c1ccc(C[NH2+]CC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001246165114 1058710676 /nfs/dbraw/zinc/71/06/76/1058710676.db2.gz GAFXRKRGVAZREG-SFTDATJTSA-N 2 2 308.469 4.092 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2cc(Cl)ccc2Cl)C[C@@H](CC)[NH2+]1 ZINC001246170476 1058712870 /nfs/dbraw/zinc/71/28/70/1058712870.db2.gz KPXHJGSJPGWVDU-ZIAGYGMSSA-N 2 2 315.288 4.392 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C[C@H](CC)[NH2+]1 ZINC001246179683 1058721818 /nfs/dbraw/zinc/72/18/18/1058721818.db2.gz RHYQMVDEFRIPIN-BQJUDKOJSA-N 2 2 323.484 4.070 20 0 DIADLP Clc1ccccc1C1([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246211852 1058745072 /nfs/dbraw/zinc/74/50/72/1058745072.db2.gz ODVBGMJGXKVWEU-OAHLLOKOSA-N 2 2 318.892 4.374 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246228266 1058749651 /nfs/dbraw/zinc/74/96/51/1058749651.db2.gz WZSQWTQZIGWGSR-OLZOCXBDSA-N 2 2 316.823 4.019 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246228261 1058750090 /nfs/dbraw/zinc/75/00/90/1058750090.db2.gz WZSQWTQZIGWGSR-CHWSQXEVSA-N 2 2 316.823 4.019 20 0 DIADLP C[C@H]1CC([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)C[C@H](C)[NH2+]1 ZINC001246253397 1058770503 /nfs/dbraw/zinc/77/05/03/1058770503.db2.gz LMMRXCGQKVZPGH-QWRGUYRKSA-N 2 2 313.272 4.101 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C(C)(C)C1)c1c(Cl)cccc1Cl ZINC001246254371 1058774750 /nfs/dbraw/zinc/77/47/50/1058774750.db2.gz QBTZQZAFTVOMMA-MNOVXSKESA-N 2 2 301.261 4.175 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246268335 1058782905 /nfs/dbraw/zinc/78/29/05/1058782905.db2.gz PRJRUHCCRFIHGD-CLLJXQQHSA-N 2 2 316.823 4.017 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001246279569 1058794329 /nfs/dbraw/zinc/79/43/29/1058794329.db2.gz MXCBHBHIAYFNSJ-PXAZEXFGSA-N 2 2 323.267 4.214 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2Cl)CC[NH2+]1 ZINC001246298332 1058810108 /nfs/dbraw/zinc/81/01/08/1058810108.db2.gz XHKWAHOWLNSYLC-MJBXVCDLSA-N 2 2 312.860 4.441 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2Cl)CC[NH2+]1 ZINC001246298326 1058812368 /nfs/dbraw/zinc/81/23/68/1058812368.db2.gz XHKWAHOWLNSYLC-BFHYXJOUSA-N 2 2 312.860 4.441 20 0 DIADLP CCCC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299327 1058812618 /nfs/dbraw/zinc/81/26/18/1058812618.db2.gz HIGXCLGZMBQFQS-MQPDGSBLSA-N 3 2 323.569 4.155 20 0 DIADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246322287 1058834027 /nfs/dbraw/zinc/83/40/27/1058834027.db2.gz HFNWFIXMSONFRQ-JMSVASOKSA-N 2 2 315.288 4.421 20 0 DIADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)c2ccccc2)cc1 ZINC001246338910 1058847347 /nfs/dbraw/zinc/84/73/47/1058847347.db2.gz NFWYEJSSSIINCJ-YYWHXJBOSA-N 2 2 308.469 4.009 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(F)c1F ZINC001246352747 1058864795 /nfs/dbraw/zinc/86/47/95/1058864795.db2.gz UJXBWNDEUZQSGS-YDHLFZDLSA-N 2 2 310.432 4.091 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(SC(F)(F)F)cc1 ZINC001246488218 1058967906 /nfs/dbraw/zinc/96/79/06/1058967906.db2.gz JGNLJVPPUWCETN-LOWVWBTDSA-N 2 2 318.408 4.090 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)c(Cl)c1 ZINC001246487470 1058967943 /nfs/dbraw/zinc/96/79/43/1058967943.db2.gz FUMFFOBXZDLWMD-PWSUYJOCSA-N 2 2 320.786 4.152 20 0 DIADLP CC[C@H]1CC([NH2+][C@H](C)c2cccc(F)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246493048 1058968701 /nfs/dbraw/zinc/96/87/01/1058968701.db2.gz YECZVMGXVHPDRX-AGIUHOORSA-N 2 2 312.860 4.439 20 0 DIADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCC3(CCCCC3)CC2)c1 ZINC001246514083 1058977366 /nfs/dbraw/zinc/97/73/66/1058977366.db2.gz ZYTXXOAMEWEDMD-LJQANCHMSA-N 2 2 316.489 4.178 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536176 1058989076 /nfs/dbraw/zinc/98/90/76/1058989076.db2.gz CRLHWSJBCLXAKP-ROUUACIJSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536176 1058989101 /nfs/dbraw/zinc/98/91/01/1058989101.db2.gz CRLHWSJBCLXAKP-ROUUACIJSA-N 2 2 306.881 4.009 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246770235 1059073180 /nfs/dbraw/zinc/07/31/80/1059073180.db2.gz NSRZWUPLBSOLGK-MJGOQNOKSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246770235 1059073194 /nfs/dbraw/zinc/07/31/94/1059073194.db2.gz NSRZWUPLBSOLGK-MJGOQNOKSA-N 2 2 314.860 4.265 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815600 1059110204 /nfs/dbraw/zinc/11/02/04/1059110204.db2.gz ZAKFVCFPFZZGHW-FUHWJXTLSA-N 2 2 318.461 4.121 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815600 1059110208 /nfs/dbraw/zinc/11/02/08/1059110208.db2.gz ZAKFVCFPFZZGHW-FUHWJXTLSA-N 2 2 318.461 4.121 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845422 1059123319 /nfs/dbraw/zinc/12/33/19/1059123319.db2.gz GACSDNPCDODOJO-CVEARBPZSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845422 1059123328 /nfs/dbraw/zinc/12/33/28/1059123328.db2.gz GACSDNPCDODOJO-CVEARBPZSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869966 1059142794 /nfs/dbraw/zinc/14/27/94/1059142794.db2.gz IYDNJLOQPPFZID-HOTGVXAUSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869966 1059142801 /nfs/dbraw/zinc/14/28/01/1059142801.db2.gz IYDNJLOQPPFZID-HOTGVXAUSA-N 2 2 306.881 4.009 20 0 DIADLP CC[N@H+](Cc1cccc(F)c1F)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246906549 1059168709 /nfs/dbraw/zinc/16/87/09/1059168709.db2.gz FGHBVAZDWGAEGY-INIZCTEOSA-N 2 2 322.443 4.242 20 0 DIADLP CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246906549 1059168714 /nfs/dbraw/zinc/16/87/14/1059168714.db2.gz FGHBVAZDWGAEGY-INIZCTEOSA-N 2 2 322.443 4.242 20 0 DIADLP CC[C@@H]1C[C@H]([N@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911114 1059171053 /nfs/dbraw/zinc/17/10/53/1059171053.db2.gz NKQNTJJGENFMNR-HUUCEWRRSA-N 2 2 315.288 4.346 20 0 DIADLP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911114 1059171066 /nfs/dbraw/zinc/17/10/66/1059171066.db2.gz NKQNTJJGENFMNR-HUUCEWRRSA-N 2 2 315.288 4.346 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246909183 1059171406 /nfs/dbraw/zinc/17/14/06/1059171406.db2.gz FCZNOOAGCNJTPG-AWEZNQCLSA-N 2 2 315.288 4.346 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246909183 1059171416 /nfs/dbraw/zinc/17/14/16/1059171416.db2.gz FCZNOOAGCNJTPG-AWEZNQCLSA-N 2 2 315.288 4.346 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951481 1059192967 /nfs/dbraw/zinc/19/29/67/1059192967.db2.gz CRTRPUAETMIXHG-NSHGMRRFSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951481 1059192979 /nfs/dbraw/zinc/19/29/79/1059192979.db2.gz CRTRPUAETMIXHG-NSHGMRRFSA-N 2 2 317.521 4.096 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952680 1059199704 /nfs/dbraw/zinc/19/97/04/1059199704.db2.gz LTOSTOYBXGDRCG-NSHGMRRFSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952680 1059199720 /nfs/dbraw/zinc/19/97/20/1059199720.db2.gz LTOSTOYBXGDRCG-NSHGMRRFSA-N 2 2 317.521 4.241 20 0 DIADLP CCCCCC[C@@H](CC)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246959425 1059206385 /nfs/dbraw/zinc/20/63/85/1059206385.db2.gz GIHVWFYZGXTAHN-WOJBJXKFSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@@H](CC)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246959425 1059206402 /nfs/dbraw/zinc/20/64/02/1059206402.db2.gz GIHVWFYZGXTAHN-WOJBJXKFSA-N 2 2 317.521 4.385 20 0 DIADLP CC1(C)CC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966169 1059213154 /nfs/dbraw/zinc/21/31/54/1059213154.db2.gz VDWCNPDMGWHQKL-HNNXBMFYSA-N 2 2 322.443 4.098 20 0 DIADLP CC1(C)CC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966169 1059213175 /nfs/dbraw/zinc/21/31/75/1059213175.db2.gz VDWCNPDMGWHQKL-HNNXBMFYSA-N 2 2 322.443 4.098 20 0 DIADLP c1sc2ccccc2c1C1CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246977936 1059223569 /nfs/dbraw/zinc/22/35/69/1059223569.db2.gz GJRCETPWARBUFU-INIZCTEOSA-N 2 2 314.498 4.223 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001559574840 1059408700 /nfs/dbraw/zinc/40/87/00/1059408700.db2.gz MMLAJLPHLOJHRS-KRWDZBQOSA-N 2 2 317.436 4.128 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001559574840 1059408709 /nfs/dbraw/zinc/40/87/09/1059408709.db2.gz MMLAJLPHLOJHRS-KRWDZBQOSA-N 2 2 317.436 4.128 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC001559744716 1059577063 /nfs/dbraw/zinc/57/70/63/1059577063.db2.gz VAMNPADGIXLODW-MJGOQNOKSA-N 2 2 303.494 4.202 20 0 DIADLP CC(C)c1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001559980123 1059785994 /nfs/dbraw/zinc/78/59/94/1059785994.db2.gz UBDHMHOOHDTRAZ-UHFFFAOYSA-N 2 2 300.490 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1059905214 /nfs/dbraw/zinc/90/52/14/1059905214.db2.gz FRDQTAFWIDLRQY-QGZVFWFLSA-N 2 2 317.502 4.136 20 0 DIADLP Cc1[nH]c(C2CC[NH+](Cc3cc(Cl)ccc3F)CC2)[nH+]c1C ZINC001560149505 1059950815 /nfs/dbraw/zinc/95/08/15/1059950815.db2.gz MGCQUSFUZMANIP-UHFFFAOYSA-N 2 2 321.827 4.199 20 0 DIADLP C=C/C=C\CC[N@@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560219973 1059995695 /nfs/dbraw/zinc/99/56/95/1059995695.db2.gz ZGZJESPBOXQCOC-WAYWQWQTSA-N 2 2 312.501 4.495 20 0 DIADLP C=C/C=C\CC[N@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560219973 1059995713 /nfs/dbraw/zinc/99/57/13/1059995713.db2.gz ZGZJESPBOXQCOC-WAYWQWQTSA-N 2 2 312.501 4.495 20 0 DIADLP CCC[N@H+](CCCSC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560219284 1059996701 /nfs/dbraw/zinc/99/67/01/1059996701.db2.gz JCFGYYXHMBASSN-UHFFFAOYSA-N 2 2 320.546 4.116 20 0 DIADLP CCC[N@@H+](CCCSC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560219284 1059996725 /nfs/dbraw/zinc/99/67/25/1059996725.db2.gz JCFGYYXHMBASSN-UHFFFAOYSA-N 2 2 320.546 4.116 20 0 DIADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(F)cc1Cl ZINC001560245269 1060010383 /nfs/dbraw/zinc/01/03/83/1060010383.db2.gz VFZOIBFLLYBDEB-UHFFFAOYSA-N 2 2 300.849 4.081 20 0 DIADLP C[C@@H](CCc1ccccc1)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001560292420 1060073501 /nfs/dbraw/zinc/07/35/01/1060073501.db2.gz KEPQEZAWVBVGNQ-SFHVURJKSA-N 2 2 319.452 4.231 20 0 DIADLP CCC(CC)(C[NH2+]Cc1c[nH+]c(C)n1C)c1ccc(Cl)cc1 ZINC001560303390 1060090524 /nfs/dbraw/zinc/09/05/24/1060090524.db2.gz IZGFGALTRYGXDC-UHFFFAOYSA-N 2 2 319.880 4.230 20 0 DIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)c(F)c1 ZINC001560342148 1060128054 /nfs/dbraw/zinc/12/80/54/1060128054.db2.gz IBKWLWSAZUQPAI-NSHDSACASA-N 2 2 319.380 4.063 20 0 DIADLP CC(C)CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346814 1060133358 /nfs/dbraw/zinc/13/33/58/1060133358.db2.gz NCAKXAPPDRNBAY-LJQANCHMSA-N 2 2 302.506 4.455 20 0 DIADLP CC(C)CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346814 1060133372 /nfs/dbraw/zinc/13/33/72/1060133372.db2.gz 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DIADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC001560811766 1060671654 /nfs/dbraw/zinc/67/16/54/1060671654.db2.gz WWQXFNVUTKLFOY-UHFFFAOYSA-N 2 2 315.436 4.023 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](CC)CCC[NH+]1CCCC1 ZINC001560811354 1060672189 /nfs/dbraw/zinc/67/21/89/1060672189.db2.gz HNIYNPBWUQXWAB-UHFFFAOYSA-N 2 2 324.896 4.047 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC001560811354 1060672199 /nfs/dbraw/zinc/67/21/99/1060672199.db2.gz HNIYNPBWUQXWAB-UHFFFAOYSA-N 2 2 324.896 4.047 20 0 DIADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001560837342 1060693181 /nfs/dbraw/zinc/69/31/81/1060693181.db2.gz OQNIAKBAUSTLQX-NORZTCDRSA-N 2 2 315.288 4.169 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001560852872 1060709916 /nfs/dbraw/zinc/70/99/16/1060709916.db2.gz UMOLNYKVKXRVRD-YOEHRIQHSA-N 2 2 317.864 4.440 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001560960934 1060823809 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0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462145306 1060966892 /nfs/dbraw/zinc/96/68/92/1060966892.db2.gz GZONEYZIQCLJGX-RTBURBONSA-N 2 2 306.538 4.449 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001462189952 1061012836 /nfs/dbraw/zinc/01/28/36/1061012836.db2.gz LABQRTBCABUUHH-OAHLLOKOSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001462189952 1061012854 /nfs/dbraw/zinc/01/28/54/1061012854.db2.gz LABQRTBCABUUHH-OAHLLOKOSA-N 2 2 324.871 4.018 20 0 DIADLP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218951 1061034434 /nfs/dbraw/zinc/03/44/34/1061034434.db2.gz MHVZPMHUQGGKBH-QZTJIDSGSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@@H]1CCC[C@@H](C[N@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218951 1061034420 /nfs/dbraw/zinc/03/44/20/1061034420.db2.gz MHVZPMHUQGGKBH-QZTJIDSGSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@@H]1CCC[C@@H](C[NH+](C)CCC[N@H+](C)Cc2ccco2)C1 ZINC001462218951 1061034449 /nfs/dbraw/zinc/03/44/49/1061034449.db2.gz MHVZPMHUQGGKBH-QZTJIDSGSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@@H]1CCC[C@@H](C[NH+](C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001462218951 1061034465 /nfs/dbraw/zinc/03/44/65/1061034465.db2.gz MHVZPMHUQGGKBH-QZTJIDSGSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@H]1CCC[C@H](C[N@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218953 1061036769 /nfs/dbraw/zinc/03/67/69/1061036769.db2.gz MHVZPMHUQGGKBH-ROUUACIJSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@H]1CCC[C@H](C[N@@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218953 1061036784 /nfs/dbraw/zinc/03/67/84/1061036784.db2.gz MHVZPMHUQGGKBH-ROUUACIJSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@H]1CCC[C@H](C[NH+](C)CCC[N@H+](C)Cc2ccco2)C1 ZINC001462218953 1061036805 /nfs/dbraw/zinc/03/68/05/1061036805.db2.gz MHVZPMHUQGGKBH-ROUUACIJSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@H]1CCC[C@H](C[NH+](C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001462218953 1061036820 /nfs/dbraw/zinc/03/68/20/1061036820.db2.gz MHVZPMHUQGGKBH-ROUUACIJSA-N 2 2 306.494 4.250 20 0 DIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCC1 ZINC001462255832 1061057931 /nfs/dbraw/zinc/05/79/31/1061057931.db2.gz ANBGBKCNCIHUPT-UFYCRDLUSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCC1 ZINC001462255832 1061057944 /nfs/dbraw/zinc/05/79/44/1061057944.db2.gz ANBGBKCNCIHUPT-UFYCRDLUSA-N 2 2 312.501 4.209 20 0 DIADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001462273660 1061066078 /nfs/dbraw/zinc/06/60/78/1061066078.db2.gz JLKXCMKDVXPGAW-CJNGLKHVSA-N 2 2 303.837 4.050 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462338178 1061114884 /nfs/dbraw/zinc/11/48/84/1061114884.db2.gz HURHGZXNCBLZFQ-NBYUQASBSA-N 2 2 316.464 4.225 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462338178 1061114888 /nfs/dbraw/zinc/11/48/88/1061114888.db2.gz HURHGZXNCBLZFQ-NBYUQASBSA-N 2 2 316.464 4.225 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001462430388 1061169870 /nfs/dbraw/zinc/16/98/70/1061169870.db2.gz SVTSPIUIBOLLIJ-AZUAARDMSA-N 2 2 302.506 4.108 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccccc1 ZINC001462454947 1061184043 /nfs/dbraw/zinc/18/40/43/1061184043.db2.gz XIHKFZTXRYFOOB-ZWKOTPCHSA-N 2 2 311.473 4.262 20 0 DIADLP Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)C2 ZINC001473566976 1061256014 /nfs/dbraw/zinc/25/60/14/1061256014.db2.gz GRYWRAMTULXEQO-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)C2 ZINC001473566976 1061256025 /nfs/dbraw/zinc/25/60/25/1061256025.db2.gz GRYWRAMTULXEQO-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623532 1061305117 /nfs/dbraw/zinc/30/51/17/1061305117.db2.gz NJCYVCDNSITSMD-XYEHWOGUSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623532 1061305135 /nfs/dbraw/zinc/30/51/35/1061305135.db2.gz NJCYVCDNSITSMD-XYEHWOGUSA-N 2 2 320.480 4.043 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001473805828 1061416876 /nfs/dbraw/zinc/41/68/76/1061416876.db2.gz FGMHIVGMYLEIKG-GOSISDBHSA-N 2 2 318.892 4.278 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001473805829 1061417931 /nfs/dbraw/zinc/41/79/31/1061417931.db2.gz FGMHIVGMYLEIKG-SFHVURJKSA-N 2 2 318.892 4.278 20 0 DIADLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)Cc1ccc(C(C)(C)C)cc1 ZINC001473913630 1061460714 /nfs/dbraw/zinc/46/07/14/1061460714.db2.gz HVNYEUKFMHIZPW-KRWDZBQOSA-N 2 2 313.489 4.039 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccccc2F)c(C)c1 ZINC001474082314 1061629168 /nfs/dbraw/zinc/62/91/68/1061629168.db2.gz PHONPFYUSYNUOT-FQEVSTJZSA-N 2 2 323.415 4.170 20 0 DIADLP C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001474100601 1061647802 /nfs/dbraw/zinc/64/78/02/1061647802.db2.gz VPMOVFUCXCNIBW-ZGRWHYIRSA-N 2 2 303.409 4.236 20 0 DIADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001458402621 1061742707 /nfs/dbraw/zinc/74/27/07/1061742707.db2.gz AGYCMKBKMXQEGW-OAHLLOKOSA-N 2 2 306.498 4.256 20 0 DIADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001458402621 1061742724 /nfs/dbraw/zinc/74/27/24/1061742724.db2.gz AGYCMKBKMXQEGW-OAHLLOKOSA-N 2 2 306.498 4.256 20 0 DIADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(CC2CCC2)c1 ZINC001474195439 1061745393 /nfs/dbraw/zinc/74/53/93/1061745393.db2.gz WDGBYNNXILXKND-NHCUHLMSSA-N 2 2 312.501 4.136 20 0 DIADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(CC2CCC2)c1 ZINC001474195439 1061745410 /nfs/dbraw/zinc/74/54/10/1061745410.db2.gz WDGBYNNXILXKND-NHCUHLMSSA-N 2 2 312.501 4.136 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001474267280 1061832850 /nfs/dbraw/zinc/83/28/50/1061832850.db2.gz QVYNTKYJRODSBV-AQNXPRMDSA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC001474267280 1061832874 /nfs/dbraw/zinc/83/28/74/1061832874.db2.gz QVYNTKYJRODSBV-AQNXPRMDSA-N 2 2 312.501 4.065 20 0 DIADLP Cc1coc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320941 1061896005 /nfs/dbraw/zinc/89/60/05/1061896005.db2.gz UZOPCOZSHVOLOA-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320941 1061896028 /nfs/dbraw/zinc/89/60/28/1061896028.db2.gz UZOPCOZSHVOLOA-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001474320941 1061896043 /nfs/dbraw/zinc/89/60/43/1061896043.db2.gz UZOPCOZSHVOLOA-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001474320941 1061896062 /nfs/dbraw/zinc/89/60/62/1061896062.db2.gz UZOPCOZSHVOLOA-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001474413289 1062079935 /nfs/dbraw/zinc/07/99/35/1062079935.db2.gz YZAHMSZAWZMQBQ-XJKSGUPXSA-N 2 2 324.559 4.478 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC001474413289 1062079950 /nfs/dbraw/zinc/07/99/50/1062079950.db2.gz YZAHMSZAWZMQBQ-XJKSGUPXSA-N 2 2 324.559 4.478 20 0 DIADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001474435285 1062111993 /nfs/dbraw/zinc/11/19/93/1062111993.db2.gz VSVMEUZTGGUOTM-MOPGFXCFSA-N 2 2 317.521 4.447 20 0 DIADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001474435285 1062112012 /nfs/dbraw/zinc/11/20/12/1062112012.db2.gz VSVMEUZTGGUOTM-MOPGFXCFSA-N 2 2 317.521 4.447 20 0 DIADLP CCC[C@H](CCc1ccccc1)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001254493421 1062137099 /nfs/dbraw/zinc/13/70/99/1062137099.db2.gz COFZJCKAZNUIOO-LJQANCHMSA-N 2 2 302.506 4.204 20 0 DIADLP CCC[C@H](CCc1ccccc1)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001254493421 1062137119 /nfs/dbraw/zinc/13/71/19/1062137119.db2.gz COFZJCKAZNUIOO-LJQANCHMSA-N 2 2 302.506 4.204 20 0 DIADLP CCC[C@H](CCc1ccccc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001254497235 1062138254 /nfs/dbraw/zinc/13/82/54/1062138254.db2.gz AJPRPZOREYWQAB-RBUKOAKNSA-N 2 2 311.473 4.324 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001254498521 1062142571 /nfs/dbraw/zinc/14/25/71/1062142571.db2.gz MHPJMAYIJYQFIQ-LJQANCHMSA-N 2 2 311.473 4.322 20 0 DIADLP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC001254505973 1062149986 /nfs/dbraw/zinc/14/99/86/1062149986.db2.gz MRLJQXVBQAGOQB-CYBMUJFWSA-N 2 2 313.272 4.056 20 0 DIADLP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC001254505973 1062149990 /nfs/dbraw/zinc/14/99/90/1062149990.db2.gz MRLJQXVBQAGOQB-CYBMUJFWSA-N 2 2 313.272 4.056 20 0 DIADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001474479337 1062157453 /nfs/dbraw/zinc/15/74/53/1062157453.db2.gz NYUHFDDQBCNGLL-LJQANCHMSA-N 2 2 302.506 4.028 20 0 DIADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001474479337 1062157462 /nfs/dbraw/zinc/15/74/62/1062157462.db2.gz NYUHFDDQBCNGLL-LJQANCHMSA-N 2 2 302.506 4.028 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001474496802 1062175896 /nfs/dbraw/zinc/17/58/96/1062175896.db2.gz PUYBTMNLEUQBNJ-IEBWSBKVSA-N 2 2 320.908 4.268 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001474496802 1062175902 /nfs/dbraw/zinc/17/59/02/1062175902.db2.gz PUYBTMNLEUQBNJ-IEBWSBKVSA-N 2 2 320.908 4.268 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001474497770 1062180116 /nfs/dbraw/zinc/18/01/16/1062180116.db2.gz NASFJFZIDRZVMY-OTWHNJEPSA-N 2 2 300.490 4.033 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001474497770 1062180122 /nfs/dbraw/zinc/18/01/22/1062180122.db2.gz NASFJFZIDRZVMY-OTWHNJEPSA-N 2 2 300.490 4.033 20 0 DIADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCCCCCCCCCC1 ZINC001474537769 1062225177 /nfs/dbraw/zinc/22/51/77/1062225177.db2.gz LDXWBSNJUJYOHM-FQEVSTJZSA-N 2 2 324.553 4.096 20 0 DIADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CCCCCCCCCCC1 ZINC001474537769 1062225191 /nfs/dbraw/zinc/22/51/91/1062225191.db2.gz LDXWBSNJUJYOHM-FQEVSTJZSA-N 2 2 324.553 4.096 20 0 DIADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCCCCCCCCC1 ZINC001474537770 1062225835 /nfs/dbraw/zinc/22/58/35/1062225835.db2.gz LDXWBSNJUJYOHM-HXUWFJFHSA-N 2 2 324.553 4.096 20 0 DIADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCCCCCCCCCC1 ZINC001474537770 1062225854 /nfs/dbraw/zinc/22/58/54/1062225854.db2.gz LDXWBSNJUJYOHM-HXUWFJFHSA-N 2 2 324.553 4.096 20 0 DIADLP Cc1cccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)Cc2ccco2)c1 ZINC001459677850 1062299108 /nfs/dbraw/zinc/29/91/08/1062299108.db2.gz VCPHDTZQBKQGKF-IBGZPJMESA-N 2 2 312.457 4.075 20 0 DIADLP Cc1cccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)Cc2ccco2)c1 ZINC001459677850 1062299125 /nfs/dbraw/zinc/29/91/25/1062299125.db2.gz VCPHDTZQBKQGKF-IBGZPJMESA-N 2 2 312.457 4.075 20 0 DIADLP Cc1cccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)Cc2ccco2)c1 ZINC001459677850 1062299147 /nfs/dbraw/zinc/29/91/47/1062299147.db2.gz VCPHDTZQBKQGKF-IBGZPJMESA-N 2 2 312.457 4.075 20 0 DIADLP Cc1cccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)Cc2ccco2)c1 ZINC001459677850 1062299168 /nfs/dbraw/zinc/29/91/68/1062299168.db2.gz VCPHDTZQBKQGKF-IBGZPJMESA-N 2 2 312.457 4.075 20 0 DIADLP CCCCC[N@H+](CC[NH2+]C1CC(C)(C)C1)Cc1ccccc1 ZINC001474615258 1062332618 /nfs/dbraw/zinc/33/26/18/1062332618.db2.gz SOFMVMWMTSDHQN-UHFFFAOYSA-N 2 2 302.506 4.457 20 0 DIADLP CCCCC[N@@H+](CC[NH2+]C1CC(C)(C)C1)Cc1ccccc1 ZINC001474615258 1062332637 /nfs/dbraw/zinc/33/26/37/1062332637.db2.gz SOFMVMWMTSDHQN-UHFFFAOYSA-N 2 2 302.506 4.457 20 0 DIADLP CC[NH+](CC)CCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001459732436 1062343536 /nfs/dbraw/zinc/34/35/36/1062343536.db2.gz DLWOIWJIUMOLNE-UHFFFAOYSA-N 2 2 312.457 4.037 20 0 DIADLP CC[NH+](CC)CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001459732436 1062343559 /nfs/dbraw/zinc/34/35/59/1062343559.db2.gz DLWOIWJIUMOLNE-UHFFFAOYSA-N 2 2 312.457 4.037 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474625465 1062345663 /nfs/dbraw/zinc/34/56/63/1062345663.db2.gz BKKURSBBHBTBTC-PXNSSMCTSA-N 2 2 323.484 4.417 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474625465 1062345682 /nfs/dbraw/zinc/34/56/82/1062345682.db2.gz BKKURSBBHBTBTC-PXNSSMCTSA-N 2 2 323.484 4.417 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1ccccc1 ZINC001474640990 1062368406 /nfs/dbraw/zinc/36/84/06/1062368406.db2.gz SEFJVMFKUOYXHH-GOSISDBHSA-N 2 2 311.473 4.262 20 0 DIADLP Cc1ccc([C@@H](C)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001474682080 1062413365 /nfs/dbraw/zinc/41/33/65/1062413365.db2.gz HDRDDEGPOZCVKF-RXVVDRJESA-N 2 2 319.452 4.326 20 0 DIADLP CC(C)Cc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001459891252 1062476081 /nfs/dbraw/zinc/47/60/81/1062476081.db2.gz GEXKYXYQGGVKMH-UHFFFAOYSA-N 2 2 323.484 4.357 20 0 DIADLP C[C@@H](Cc1ccccc1F)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255858091 1062635360 /nfs/dbraw/zinc/63/53/60/1062635360.db2.gz VPUGSULDZQHEPH-INIZCTEOSA-N 2 2 323.415 4.074 20 0 DIADLP C[C@@H](Cc1ccccc1F)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255858091 1062635376 /nfs/dbraw/zinc/63/53/76/1062635376.db2.gz VPUGSULDZQHEPH-INIZCTEOSA-N 2 2 323.415 4.074 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255879887 1062651962 /nfs/dbraw/zinc/65/19/62/1062651962.db2.gz NKKDIWDNLIZLHP-INIZCTEOSA-N 2 2 318.480 4.096 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255879887 1062651973 /nfs/dbraw/zinc/65/19/73/1062651973.db2.gz NKKDIWDNLIZLHP-INIZCTEOSA-N 2 2 318.480 4.096 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001255942842 1062666574 /nfs/dbraw/zinc/66/65/74/1062666574.db2.gz BLBHHQNKLNSKMQ-LBPRGKRZSA-N 2 2 320.374 4.055 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001255944146 1062666784 /nfs/dbraw/zinc/66/67/84/1062666784.db2.gz RZEFLPMASICWAO-GFCCVEGCSA-N 2 2 320.374 4.055 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001256526754 1062845553 /nfs/dbraw/zinc/84/55/53/1062845553.db2.gz OEADHOBJVWLWSX-BJLQDIEVSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001256526754 1062845581 /nfs/dbraw/zinc/84/55/81/1062845581.db2.gz OEADHOBJVWLWSX-BJLQDIEVSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@@H]1C[C@H]([NH+](Cc2ccco2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552935 1062875570 /nfs/dbraw/zinc/87/55/70/1062875570.db2.gz DFYGWWSWWRBYNZ-YLJYHZDGSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@@H]1C[C@H]([NH+](Cc2ccco2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552935 1062875596 /nfs/dbraw/zinc/87/55/96/1062875596.db2.gz DFYGWWSWWRBYNZ-YLJYHZDGSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552935 1062875616 /nfs/dbraw/zinc/87/56/16/1062875616.db2.gz DFYGWWSWWRBYNZ-YLJYHZDGSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552935 1062875638 /nfs/dbraw/zinc/87/56/38/1062875638.db2.gz DFYGWWSWWRBYNZ-YLJYHZDGSA-N 2 2 324.468 4.297 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001256564355 1062888378 /nfs/dbraw/zinc/88/83/78/1062888378.db2.gz YXCMJEALOPYTAD-UHFFFAOYSA-N 2 2 308.897 4.428 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001256565820 1062888937 /nfs/dbraw/zinc/88/89/37/1062888937.db2.gz AUSYZIRFLPZEHY-QGZVFWFLSA-N 2 2 321.896 4.039 20 0 DIADLP c1ccc(C[N@H+](C2CC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256609640 1062914201 /nfs/dbraw/zinc/91/42/01/1062914201.db2.gz PRHPOZIVNWJUSC-UHFFFAOYSA-N 2 2 320.480 4.316 20 0 DIADLP c1ccc(C[N@@H+](C2CC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256609640 1062914230 /nfs/dbraw/zinc/91/42/30/1062914230.db2.gz PRHPOZIVNWJUSC-UHFFFAOYSA-N 2 2 320.480 4.316 20 0 DIADLP C[C@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603654 1062915135 /nfs/dbraw/zinc/91/51/35/1062915135.db2.gz IOOZSWSVJYXKCI-SFHVURJKSA-N 2 2 320.480 4.270 20 0 DIADLP C[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603654 1062915161 /nfs/dbraw/zinc/91/51/61/1062915161.db2.gz IOOZSWSVJYXKCI-SFHVURJKSA-N 2 2 320.480 4.270 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001257219947 1063146586 /nfs/dbraw/zinc/14/65/86/1063146586.db2.gz KSFYPLVYFNSOJX-GOSISDBHSA-N 2 2 306.881 4.350 20 0 DIADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001257219947 1063146601 /nfs/dbraw/zinc/14/66/01/1063146601.db2.gz KSFYPLVYFNSOJX-GOSISDBHSA-N 2 2 306.881 4.350 20 0 DIADLP CCCC(CCC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257337557 1063217748 /nfs/dbraw/zinc/21/77/48/1063217748.db2.gz YJWMRNZZBAEJAK-INIZCTEOSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC(CCC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257337557 1063217781 /nfs/dbraw/zinc/21/77/81/1063217781.db2.gz YJWMRNZZBAEJAK-INIZCTEOSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC(CCC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257337557 1063217806 /nfs/dbraw/zinc/21/78/06/1063217806.db2.gz YJWMRNZZBAEJAK-INIZCTEOSA-N 2 2 320.525 4.069 20 0 DIADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@H]2CC=CCC2)c2ccccc2)CC1 ZINC001461093228 1063246328 /nfs/dbraw/zinc/24/63/28/1063246328.db2.gz VZDPERFOFSMMCW-FPOVZHCZSA-N 2 2 312.501 4.406 20 0 DIADLP CCCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257410770 1063258290 /nfs/dbraw/zinc/25/82/90/1063258290.db2.gz XRAYDHDGYWAIIC-GOSISDBHSA-N 2 2 318.505 4.218 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127372 1063277385 /nfs/dbraw/zinc/27/73/85/1063277385.db2.gz DRZIDQBBZFLBMO-HOJAQTOUSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127372 1063277408 /nfs/dbraw/zinc/27/74/08/1063277408.db2.gz DRZIDQBBZFLBMO-HOJAQTOUSA-N 2 2 314.517 4.455 20 0 DIADLP C1=C2CCC[N@@H+](C3CCCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001257461700 1063288017 /nfs/dbraw/zinc/28/80/17/1063288017.db2.gz YFMUVGKLQACJKT-UYWIDEMCSA-N 2 2 314.517 4.214 20 0 DIADLP C1=C2CCC[N@H+](C3CCCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001257461700 1063288035 /nfs/dbraw/zinc/28/80/35/1063288035.db2.gz YFMUVGKLQACJKT-UYWIDEMCSA-N 2 2 314.517 4.214 20 0 DIADLP C1=C2CCC[NH+](C3CCCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001257461700 1063288046 /nfs/dbraw/zinc/28/80/46/1063288046.db2.gz YFMUVGKLQACJKT-UYWIDEMCSA-N 2 2 314.517 4.214 20 0 DIADLP C1=C2CCC[NH+](C3CCCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001257461700 1063288064 /nfs/dbraw/zinc/28/80/64/1063288064.db2.gz YFMUVGKLQACJKT-UYWIDEMCSA-N 2 2 314.517 4.214 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC001461195257 1063325177 /nfs/dbraw/zinc/32/51/77/1063325177.db2.gz UXSHPIQQNITJGX-NKAIQICCSA-N 2 2 306.881 4.207 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC001461195257 1063325200 /nfs/dbraw/zinc/32/52/00/1063325200.db2.gz UXSHPIQQNITJGX-NKAIQICCSA-N 2 2 306.881 4.207 20 0 DIADLP CCCC1CCC(C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001461214035 1063338404 /nfs/dbraw/zinc/33/84/04/1063338404.db2.gz DEWUMOXLHGBNQT-UHFFFAOYSA-N 2 2 324.553 4.072 20 0 DIADLP c1ccc(C2CCC([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CC2)cc1 ZINC001257995217 1063455540 /nfs/dbraw/zinc/45/55/40/1063455540.db2.gz IYEXFIOUCBGGCL-CBNMVNINSA-N 2 2 312.501 4.177 20 0 DIADLP c1ccc(C2CCC([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CC2)cc1 ZINC001257995217 1063455554 /nfs/dbraw/zinc/45/55/54/1063455554.db2.gz IYEXFIOUCBGGCL-CBNMVNINSA-N 2 2 312.501 4.177 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171362 1063475413 /nfs/dbraw/zinc/47/54/13/1063475413.db2.gz XEVQHPXLVIFEFM-HKUYNNGSSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171362 1063475429 /nfs/dbraw/zinc/47/54/29/1063475429.db2.gz XEVQHPXLVIFEFM-HKUYNNGSSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171362 1063475440 /nfs/dbraw/zinc/47/54/40/1063475440.db2.gz XEVQHPXLVIFEFM-HKUYNNGSSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC001473171362 1063475447 /nfs/dbraw/zinc/47/54/47/1063475447.db2.gz XEVQHPXLVIFEFM-HKUYNNGSSA-N 2 2 318.480 4.221 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001461406385 1063477066 /nfs/dbraw/zinc/47/70/66/1063477066.db2.gz PNCYCYPYONKOHD-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP C[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001461406139 1063477548 /nfs/dbraw/zinc/47/75/48/1063477548.db2.gz OODCMWSKLZMHQM-ZDUSSCGKSA-N 2 2 324.453 4.057 20 0 DIADLP CC(C)=CCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258088223 1063512130 /nfs/dbraw/zinc/51/21/30/1063512130.db2.gz RJYPIQRZCHKFPD-KZNAEPCWSA-N 2 2 301.478 4.293 20 0 DIADLP C[C@@H](Cc1ccco1)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001258181662 1063549961 /nfs/dbraw/zinc/54/99/61/1063549961.db2.gz RDPWUJLQJDDNBU-ORYQWCPZSA-N 2 2 320.436 4.242 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1cccc(OC(C)C)c1 ZINC001461523587 1063557707 /nfs/dbraw/zinc/55/77/07/1063557707.db2.gz WFLCWELVNGDXAA-IBGZPJMESA-N 2 2 318.505 4.074 20 0 DIADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001258321523 1063610210 /nfs/dbraw/zinc/61/02/10/1063610210.db2.gz NLSFETSPWSPEPG-FUHWJXTLSA-N 2 2 320.546 4.333 20 0 DIADLP C[C@H](CC1CC1)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001258471790 1063669357 /nfs/dbraw/zinc/66/93/57/1063669357.db2.gz GHGHWSIFTPHZIP-DDVIMMDMSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H](CC1CC1)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001258471790 1063669369 /nfs/dbraw/zinc/66/93/69/1063669369.db2.gz GHGHWSIFTPHZIP-DDVIMMDMSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H](CC1CC1)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001258471790 1063669377 /nfs/dbraw/zinc/66/93/77/1063669377.db2.gz GHGHWSIFTPHZIP-DDVIMMDMSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H](CC1CC1)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001258471790 1063669382 /nfs/dbraw/zinc/66/93/82/1063669382.db2.gz GHGHWSIFTPHZIP-DDVIMMDMSA-N 2 2 314.517 4.070 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC001258599330 1063701864 /nfs/dbraw/zinc/70/18/64/1063701864.db2.gz YUPUYYHPEQLCLK-IBGZPJMESA-N 2 2 318.480 4.267 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258657909 1063727396 /nfs/dbraw/zinc/72/73/96/1063727396.db2.gz WEFOPUJHDLDSCA-LJQANCHMSA-N 2 2 324.468 4.336 20 0 DIADLP CCCCC[C@@H](CCC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001258664699 1063733266 /nfs/dbraw/zinc/73/32/66/1063733266.db2.gz PPPJWWHEEKUDBL-QGZVFWFLSA-N 2 2 303.494 4.389 20 0 DIADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258782096 1063818768 /nfs/dbraw/zinc/81/87/68/1063818768.db2.gz KCCFZLHRLPCNOB-SJLPKXTDSA-N 2 2 303.494 4.102 20 0 DIADLP CC[C@@H](C)C[C@H](CC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258800719 1063833487 /nfs/dbraw/zinc/83/34/87/1063833487.db2.gz TVAWPOMAAFAQLJ-WBVHZDCISA-N 2 2 303.494 4.163 20 0 DIADLP Cc1c(Cl)ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC001461948560 1063833420 /nfs/dbraw/zinc/83/34/20/1063833420.db2.gz IKRDGSLFTPJVGE-UHFFFAOYSA-N 2 2 324.255 4.405 20 0 DIADLP Cc1ccc(N(C2CC[NH2+]CC2)C2CCC(C(C)C)CC2)[nH+]c1 ZINC001258806220 1063838262 /nfs/dbraw/zinc/83/82/62/1063838262.db2.gz MMTVHQWSGHCSRV-UHFFFAOYSA-N 2 2 315.505 4.163 20 0 DIADLP c1c2ccccc2oc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000571038326 1063950644 /nfs/dbraw/zinc/95/06/44/1063950644.db2.gz JKAPGLYXCMQNMN-HKUYNNGSSA-N 2 2 306.409 4.016 20 0 DIADLP CC/C=C\CC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279522062 1064353829 /nfs/dbraw/zinc/35/38/29/1064353829.db2.gz SWMCTWXAHYTIPR-HZQHCPKGSA-N 2 2 315.505 4.049 20 0 DIADLP CC/C=C\CC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279522062 1064353842 /nfs/dbraw/zinc/35/38/42/1064353842.db2.gz SWMCTWXAHYTIPR-HZQHCPKGSA-N 2 2 315.505 4.049 20 0 DIADLP CC/C=C\CC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001279522062 1064353849 /nfs/dbraw/zinc/35/38/49/1064353849.db2.gz SWMCTWXAHYTIPR-HZQHCPKGSA-N 2 2 315.505 4.049 20 0 DIADLP CC/C=C\CC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001279522062 1064353857 /nfs/dbraw/zinc/35/38/57/1064353857.db2.gz SWMCTWXAHYTIPR-HZQHCPKGSA-N 2 2 315.505 4.049 20 0 DIADLP Cc1csc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1Cl ZINC001279657238 1064362575 /nfs/dbraw/zinc/36/25/75/1064362575.db2.gz AKMVVQQXHJEBFB-MRXNPFEDSA-N 2 2 312.910 4.018 20 0 DIADLP Cc1csc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1Cl ZINC001279657238 1064362588 /nfs/dbraw/zinc/36/25/88/1064362588.db2.gz AKMVVQQXHJEBFB-MRXNPFEDSA-N 2 2 312.910 4.018 20 0 DIADLP Cc1csc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1Cl ZINC001279657238 1064362600 /nfs/dbraw/zinc/36/26/00/1064362600.db2.gz AKMVVQQXHJEBFB-MRXNPFEDSA-N 2 2 312.910 4.018 20 0 DIADLP Cc1csc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1Cl ZINC001279657238 1064362611 /nfs/dbraw/zinc/36/26/11/1064362611.db2.gz AKMVVQQXHJEBFB-MRXNPFEDSA-N 2 2 312.910 4.018 20 0 DIADLP Fc1ccccc1C1([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC1 ZINC000647802429 1064414673 /nfs/dbraw/zinc/41/46/73/1064414673.db2.gz LHHILZRFVUQPHK-XLIONFOSSA-N 2 2 324.443 4.288 20 0 DIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/C1CCCCCC1 ZINC001293587802 1064820511 /nfs/dbraw/zinc/82/05/11/1064820511.db2.gz DPHAXYSQJUYQGN-CMDGGOBGSA-N 2 2 324.428 4.041 20 0 DIADLP Cc1c(C)c(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1C ZINC001307509166 1065450928 /nfs/dbraw/zinc/45/09/28/1065450928.db2.gz BCEPDGKBBJPATC-UHFFFAOYSA-N 2 2 311.473 4.331 20 0 DIADLP C[C@H]1C[C@H](CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)C[C@@H](C)C1 ZINC001307652677 1065544709 /nfs/dbraw/zinc/54/47/09/1065544709.db2.gz POGLSLROTTZELS-PIIMJCKOSA-N 2 2 315.505 4.420 20 0 DIADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]C2(Cc3ccccc3)CCCC2)C1 ZINC001307670701 1065554023 /nfs/dbraw/zinc/55/40/23/1065554023.db2.gz UUQHZBSIJAEHEV-RTBURBONSA-N 2 2 314.517 4.109 20 0 DIADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)CC1 ZINC001308003162 1065720252 /nfs/dbraw/zinc/72/02/52/1065720252.db2.gz SIEAPVBQNHCLCW-LJQANCHMSA-N 2 2 322.443 4.051 20 0 DIADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)CC1 ZINC001308003162 1065720264 /nfs/dbraw/zinc/72/02/64/1065720264.db2.gz SIEAPVBQNHCLCW-LJQANCHMSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001308025386 1065729930 /nfs/dbraw/zinc/72/99/30/1065729930.db2.gz BJIWROWTOUKXAA-HXUWFJFHSA-N 2 2 309.457 4.417 20 0 DIADLP C[C@]1(C2CCCCC2)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001308025386 1065729943 /nfs/dbraw/zinc/72/99/43/1065729943.db2.gz BJIWROWTOUKXAA-HXUWFJFHSA-N 2 2 309.457 4.417 20 0 DIADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)[nH+]c1C ZINC001308082363 1065754016 /nfs/dbraw/zinc/75/40/16/1065754016.db2.gz BVWXVBLHUWWBOR-UHFFFAOYSA-N 2 2 321.827 4.199 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001308135269 1065775423 /nfs/dbraw/zinc/77/54/23/1065775423.db2.gz GEOQDASPMPIPEM-RBUKOAKNSA-N 2 2 309.457 4.191 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001308135269 1065775437 /nfs/dbraw/zinc/77/54/37/1065775437.db2.gz GEOQDASPMPIPEM-RBUKOAKNSA-N 2 2 309.457 4.191 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001308164840 1065787822 /nfs/dbraw/zinc/78/78/22/1065787822.db2.gz GWGZLKFXEKIJFF-MRXNPFEDSA-N 2 2 303.494 4.254 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001308164840 1065787829 /nfs/dbraw/zinc/78/78/29/1065787829.db2.gz GWGZLKFXEKIJFF-MRXNPFEDSA-N 2 2 303.494 4.254 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC001308273777 1065872794 /nfs/dbraw/zinc/87/27/94/1065872794.db2.gz DETWQYAKPPYPIT-ROUUACIJSA-N 2 2 324.553 4.070 20 0 DIADLP Cc1cc(CNc2ccc3c([nH+]2)CCCC3)c2c([nH+]1)CCCC2 ZINC001308510482 1066037322 /nfs/dbraw/zinc/03/73/22/1066037322.db2.gz UZJXIYGQGQMSEX-UHFFFAOYSA-N 2 2 307.441 4.155 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC001308548487 1066062213 /nfs/dbraw/zinc/06/22/13/1066062213.db2.gz VYHGWCGVJCOKRX-YSIASYRMSA-N 2 2 314.517 4.280 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC001308548487 1066062223 /nfs/dbraw/zinc/06/22/23/1066062223.db2.gz VYHGWCGVJCOKRX-YSIASYRMSA-N 2 2 314.517 4.280 20 0 DIADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632608 1066128007 /nfs/dbraw/zinc/12/80/07/1066128007.db2.gz AKIQCCIKGYMALT-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632608 1066128011 /nfs/dbraw/zinc/12/80/11/1066128011.db2.gz AKIQCCIKGYMALT-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632608 1066128014 /nfs/dbraw/zinc/12/80/14/1066128014.db2.gz AKIQCCIKGYMALT-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001308632608 1066128018 /nfs/dbraw/zinc/12/80/18/1066128018.db2.gz AKIQCCIKGYMALT-PKOBYXMFSA-N 2 2 312.457 4.073 20 0 DIADLP C[C@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1ccccc1 ZINC001308716151 1066195944 /nfs/dbraw/zinc/19/59/44/1066195944.db2.gz LOCCRTFSYQSIDB-LJQANCHMSA-N 2 2 314.517 4.426 20 0 DIADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001308736914 1066211281 /nfs/dbraw/zinc/21/12/81/1066211281.db2.gz AUDMOMAEZUYWRY-MAUKXSAKSA-N 2 2 320.546 4.050 20 0 DIADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001308736914 1066211294 /nfs/dbraw/zinc/21/12/94/1066211294.db2.gz AUDMOMAEZUYWRY-MAUKXSAKSA-N 2 2 320.546 4.050 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789050 1066264659 /nfs/dbraw/zinc/26/46/59/1066264659.db2.gz PULTUFYZWOCYJX-PXNSSMCTSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789050 1066264670 /nfs/dbraw/zinc/26/46/70/1066264670.db2.gz PULTUFYZWOCYJX-PXNSSMCTSA-N 2 2 314.517 4.313 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)[NH+](CC)CC)cc1 ZINC001308791542 1066266833 /nfs/dbraw/zinc/26/68/33/1066266833.db2.gz DEVQVWKJYMNNBX-OLMNPRSZSA-N 2 2 324.459 4.265 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)[NH+](CC)CC)cc1 ZINC001308791541 1066267469 /nfs/dbraw/zinc/26/74/69/1066267469.db2.gz DEVQVWKJYMNNBX-JLSDUUJJSA-N 2 2 324.459 4.265 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001308864758 1066346391 /nfs/dbraw/zinc/34/63/91/1066346391.db2.gz LKYGYBLBPJUCMZ-QUCCMNQESA-N 2 2 302.506 4.108 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308914867 1066391756 /nfs/dbraw/zinc/39/17/56/1066391756.db2.gz GQBDOWRMDZSMIO-VAMGGRTRSA-N 2 2 311.473 4.429 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCCC(F)(F)F)C1 ZINC001308983202 1066431869 /nfs/dbraw/zinc/43/18/69/1066431869.db2.gz MGRIEIMNKYEBGR-CYBMUJFWSA-N 2 2 317.399 4.160 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCCC(F)(F)F)C1 ZINC001308983202 1066431872 /nfs/dbraw/zinc/43/18/72/1066431872.db2.gz MGRIEIMNKYEBGR-CYBMUJFWSA-N 2 2 317.399 4.160 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000090667472 185308545 /nfs/dbraw/zinc/30/85/45/185308545.db2.gz GIRLRTBSFMJUMF-ZWKOTPCHSA-N 2 2 323.484 4.266 20 0 DIADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667297 185308606 /nfs/dbraw/zinc/30/86/06/185308606.db2.gz MJDKKHYOYHBSBK-FUHIMQAGSA-N 2 2 317.521 4.411 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000090667470 185308799 /nfs/dbraw/zinc/30/87/99/185308799.db2.gz GIRLRTBSFMJUMF-ROUUACIJSA-N 2 2 323.484 4.266 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092568140 185326599 /nfs/dbraw/zinc/32/65/99/185326599.db2.gz BUUWZYIHGDBLAX-OKZBNKHCSA-N 2 2 315.505 4.023 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272635151 130048705 /nfs/dbraw/zinc/04/87/05/130048705.db2.gz BOBPLZXAOYYMED-ILXRZTDVSA-N 2 2 321.896 4.039 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272635151 130048706 /nfs/dbraw/zinc/04/87/06/130048706.db2.gz BOBPLZXAOYYMED-ILXRZTDVSA-N 2 2 321.896 4.039 20 0 DIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C ZINC000273093533 130089974 /nfs/dbraw/zinc/08/99/74/130089974.db2.gz SDKLFIWIPFZQLZ-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000289209903 131366323 /nfs/dbraw/zinc/36/63/23/131366323.db2.gz IMPKUGRGPZCAMM-CABCVRRESA-N 2 2 300.368 4.033 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccsc2S1 ZINC000163810138 132123084 /nfs/dbraw/zinc/12/30/84/132123084.db2.gz VUJQWDGJAZIHFK-JSGCOSHPSA-N 2 2 319.499 4.160 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000121359277 132153663 /nfs/dbraw/zinc/15/36/63/132153663.db2.gz JVJTYMRXCINMSY-HNNXBMFYSA-N 2 2 321.424 4.147 20 0 DIADLP CCc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000603382792 435334698 /nfs/dbraw/zinc/33/46/98/435334698.db2.gz QJEIAAXVAPRXGO-MRXNPFEDSA-N 2 2 324.472 4.026 20 0 DIADLP CCc1cc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000603382792 435334705 /nfs/dbraw/zinc/33/47/05/435334705.db2.gz QJEIAAXVAPRXGO-MRXNPFEDSA-N 2 2 324.472 4.026 20 0 DIADLP F[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000584231497 331872770 /nfs/dbraw/zinc/87/27/70/331872770.db2.gz YPNAAOIVAJGCLM-NVXWUHKLSA-N 2 2 324.871 4.175 20 0 DIADLP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000558255996 331888407 /nfs/dbraw/zinc/88/84/07/331888407.db2.gz MTNMMFSAFXTEAJ-KRWDZBQOSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000558257599 331889977 /nfs/dbraw/zinc/88/99/77/331889977.db2.gz KPNQQUIUXQAXFI-LZQZEXGQSA-N 2 2 315.505 4.021 20 0 DIADLP Cc1c2cccc(Cl)c2sc1C[NH2+]CCCn1cc[nH+]c1 ZINC000559232636 331997309 /nfs/dbraw/zinc/99/73/09/331997309.db2.gz DVOYWWHAJXYTOS-UHFFFAOYSA-N 2 2 319.861 4.240 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128137917 332010052 /nfs/dbraw/zinc/01/00/52/332010052.db2.gz ZVUVPJAHSSBJBD-SFHVURJKSA-N 2 2 306.881 4.255 20 0 DIADLP Cc1sccc1C[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000559299260 332019324 /nfs/dbraw/zinc/01/93/24/332019324.db2.gz FLFMZXBCVAWWKW-KBXCAEBGSA-N 2 2 302.487 4.146 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C[N@@H+]1C1CC1 ZINC000129757277 332020709 /nfs/dbraw/zinc/02/07/09/332020709.db2.gz RBDWQJFRGKAXSK-AXAPSJFSSA-N 2 2 322.905 4.092 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C[N@H+]1C1CC1 ZINC000129757277 332020710 /nfs/dbraw/zinc/02/07/10/332020710.db2.gz RBDWQJFRGKAXSK-AXAPSJFSSA-N 2 2 322.905 4.092 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000448022784 332188643 /nfs/dbraw/zinc/18/86/43/332188643.db2.gz PUVGVIROOCABNS-UHFFFAOYSA-N 2 2 316.420 4.050 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449444156 332197760 /nfs/dbraw/zinc/19/77/60/332197760.db2.gz YTCHYPKZFWHYRH-AWEZNQCLSA-N 2 2 306.416 4.128 20 0 DIADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536370295 332234230 /nfs/dbraw/zinc/23/42/30/332234230.db2.gz NFDRLPXHKBOMHO-SFHVURJKSA-N 2 2 313.420 4.248 20 0 DIADLP CC(C)[NH+]1CCC(N(C)c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000561100901 332411202 /nfs/dbraw/zinc/41/12/02/332411202.db2.gz KGGICKXHFCKGKW-UHFFFAOYSA-N 2 2 317.864 4.197 20 0 DIADLP CC(C)[C@@H]1CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C[C@H]1C ZINC000561398238 332446371 /nfs/dbraw/zinc/44/63/71/332446371.db2.gz RPSPANMUSJUGPU-NXHRZFHOSA-N 2 2 312.461 4.199 20 0 DIADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000561773143 332494247 /nfs/dbraw/zinc/49/42/47/332494247.db2.gz YLOVTENIZOTMKP-QZTJIDSGSA-N 2 2 313.489 4.278 20 0 DIADLP CC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000561987897 332526612 /nfs/dbraw/zinc/52/66/12/332526612.db2.gz ORGKVMFVTFEFON-OAQYLSRUSA-N 2 2 319.452 4.042 20 0 DIADLP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000248199139 332579832 /nfs/dbraw/zinc/57/98/32/332579832.db2.gz YBBDMETXOAIYFX-UWWQBHOKSA-N 2 2 315.486 4.197 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000569855553 332686281 /nfs/dbraw/zinc/68/62/81/332686281.db2.gz FOSIHUUXONLNSR-UHFFFAOYSA-N 2 2 323.465 4.236 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1csc2ccccc12 ZINC000570084504 332711214 /nfs/dbraw/zinc/71/12/14/332711214.db2.gz FKALHEJFCOFSPF-UHFFFAOYSA-N 2 2 310.466 4.370 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000580244328 333039633 /nfs/dbraw/zinc/03/96/33/333039633.db2.gz BHTTVWPISGIUEK-UHFFFAOYSA-N 2 2 320.383 4.056 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000580244328 333039634 /nfs/dbraw/zinc/03/96/34/333039634.db2.gz BHTTVWPISGIUEK-UHFFFAOYSA-N 2 2 320.383 4.056 20 0 DIADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000314354398 333104819 /nfs/dbraw/zinc/10/48/19/333104819.db2.gz LZEWDLXQUBKYMB-ZWKOTPCHSA-N 2 2 312.482 4.116 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c(C)s1 ZINC000314387214 333107595 /nfs/dbraw/zinc/10/75/95/333107595.db2.gz RPYQYGRMZYPXNJ-ZDUSSCGKSA-N 2 2 313.470 4.374 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500423793 333241025 /nfs/dbraw/zinc/24/10/25/333241025.db2.gz AWAUJZDDQDOFKI-YJBOKZPZSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500423793 333241026 /nfs/dbraw/zinc/24/10/26/333241026.db2.gz AWAUJZDDQDOFKI-YJBOKZPZSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000390304373 333263716 /nfs/dbraw/zinc/26/37/16/333263716.db2.gz MDDNUGOBGJJNPR-IAGOWNOFSA-N 2 2 305.425 4.289 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000502685077 333304555 /nfs/dbraw/zinc/30/45/55/333304555.db2.gz DMQAYQQBQOYECD-SFHVURJKSA-N 2 2 318.892 4.227 20 0 DIADLP CC[N@@H+](Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781541 333306780 /nfs/dbraw/zinc/30/67/80/333306780.db2.gz MSHGDTVWJWOUMT-UHFFFAOYSA-N 2 2 323.484 4.129 20 0 DIADLP CC[N@H+](Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781541 333306781 /nfs/dbraw/zinc/30/67/81/333306781.db2.gz MSHGDTVWJWOUMT-UHFFFAOYSA-N 2 2 323.484 4.129 20 0 DIADLP CCn1c[nH+]cc1C[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000417769829 335134072 /nfs/dbraw/zinc/13/40/72/335134072.db2.gz BLFKRHNFDJLMTE-UHFFFAOYSA-N 2 2 323.440 4.049 20 0 DIADLP CCn1c[nH+]cc1C[N@@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000417769829 335134073 /nfs/dbraw/zinc/13/40/73/335134073.db2.gz BLFKRHNFDJLMTE-UHFFFAOYSA-N 2 2 323.440 4.049 20 0 DIADLP c1ccc([C@H](C[NH2+][C@H]2CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000319841266 333412313 /nfs/dbraw/zinc/41/23/13/333412313.db2.gz OPWUVAMRMFRUEU-SFTDATJTSA-N 2 2 306.453 4.101 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)c(C)s1 ZINC000021513807 333423461 /nfs/dbraw/zinc/42/34/61/333423461.db2.gz IFLBXRHGWPXOJP-KDOFPFPSSA-N 2 2 302.487 4.318 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cscn2)cc1 ZINC000534328272 333576763 /nfs/dbraw/zinc/57/67/63/333576763.db2.gz TWLBHWCRNARXCH-CHWSQXEVSA-N 2 2 312.442 4.049 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C ZINC000152234622 333649149 /nfs/dbraw/zinc/64/91/49/333649149.db2.gz QGUMGWZXOXDKFI-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP COc1ccc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(C)c1 ZINC000414078827 333892636 /nfs/dbraw/zinc/89/26/36/333892636.db2.gz SFOKCZQKBUWQLK-HNNXBMFYSA-N 2 2 323.440 4.163 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000343474518 335168118 /nfs/dbraw/zinc/16/81/18/335168118.db2.gz JZQGVXDALPUYQY-BEFAXECRSA-N 2 2 303.409 4.210 20 0 DIADLP Cc1occc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000414446719 333980491 /nfs/dbraw/zinc/98/04/91/333980491.db2.gz PASZJGPOZDPAQF-UHFFFAOYSA-N 2 2 309.413 4.083 20 0 DIADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000414815380 334106448 /nfs/dbraw/zinc/10/64/48/334106448.db2.gz XKDIGZPWFXMOIT-KSSFIOAISA-N 2 2 318.411 4.062 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414828817 334110094 /nfs/dbraw/zinc/11/00/94/334110094.db2.gz JKURSNBLOGZTBU-DOMZBBRYSA-N 2 2 308.878 4.012 20 0 DIADLP COc1ccc(C2CCC([NH2+]C[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000414836467 334111982 /nfs/dbraw/zinc/11/19/82/334111982.db2.gz SNXFAJCVLAWLSV-IOYBJCICSA-N 2 2 324.468 4.011 20 0 DIADLP C[C@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000414840510 334112080 /nfs/dbraw/zinc/11/20/80/334112080.db2.gz XEILEYJHDXBPED-DYVFJYSZSA-N 2 2 322.374 4.099 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000282298046 334133244 /nfs/dbraw/zinc/13/32/44/334133244.db2.gz ROUFHWUTTLGCCN-CQSZACIVSA-N 2 2 311.454 4.215 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000187757257 334272134 /nfs/dbraw/zinc/27/21/34/334272134.db2.gz MWAVTYJOEIEIGC-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP C[C@H]1C[C@H](Nc2ccc([NH+]3CCC(C)CC3)cc2)c2[nH+]ccn21 ZINC000296329203 334231938 /nfs/dbraw/zinc/23/19/38/334231938.db2.gz GEJYVZSESOUYQY-YJBOKZPZSA-N 2 2 310.445 4.237 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000531943587 334299990 /nfs/dbraw/zinc/29/99/90/334299990.db2.gz CTHFOSBUWPZCCF-XCLFUZPHSA-N 2 2 323.415 4.007 20 0 DIADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cccc2cc[nH]c21)[NH+](C)C ZINC000443010610 338442019 /nfs/dbraw/zinc/44/20/19/338442019.db2.gz BYWXBLLCPXZYTE-IERDGZPVSA-N 2 2 321.468 4.257 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534977606 334351434 /nfs/dbraw/zinc/35/14/34/334351434.db2.gz WIGXCPYSCRIQLI-RDTXWAMCSA-N 2 2 324.871 4.394 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534977606 334351435 /nfs/dbraw/zinc/35/14/35/334351435.db2.gz WIGXCPYSCRIQLI-RDTXWAMCSA-N 2 2 324.871 4.394 20 0 DIADLP c1cn(Cc2ccccc2)c(CNc2cccc3cc[nH+]cc32)[nH+]1 ZINC000532032519 334380977 /nfs/dbraw/zinc/38/09/77/334380977.db2.gz DFOBKRUSJLSWFN-UHFFFAOYSA-N 2 2 314.392 4.092 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000343623361 335182378 /nfs/dbraw/zinc/18/23/78/335182378.db2.gz NRDFBAMRRBTOTJ-KRWDZBQOSA-N 2 2 323.440 4.347 20 0 DIADLP c1csc([C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000344140152 335221099 /nfs/dbraw/zinc/22/10/99/335221099.db2.gz ZURNRBXFMWSXGD-INIZCTEOSA-N 2 2 315.467 4.236 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000344174425 335227400 /nfs/dbraw/zinc/22/74/00/335227400.db2.gz QXHJMQKGAARXAP-GOSISDBHSA-N 2 2 313.420 4.080 20 0 DIADLP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(-c3ccccc3)c1)CCC2 ZINC000344547082 335260807 /nfs/dbraw/zinc/26/08/07/335260807.db2.gz LDTLSIRXKYELFG-FQEVSTJZSA-N 2 2 317.436 4.217 20 0 DIADLP CC[N@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000345203039 335307356 /nfs/dbraw/zinc/30/73/56/335307356.db2.gz LJXONPMTQCUCBO-QGZVFWFLSA-N 2 2 321.534 4.155 20 0 DIADLP CC[N@@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000345203039 335307358 /nfs/dbraw/zinc/30/73/58/335307358.db2.gz LJXONPMTQCUCBO-QGZVFWFLSA-N 2 2 321.534 4.155 20 0 DIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(F)c1 ZINC000346147068 335381526 /nfs/dbraw/zinc/38/15/26/335381526.db2.gz UJNNBYNIOAXJOK-UHFFFAOYSA-N 2 2 315.417 4.095 20 0 DIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(F)c1 ZINC000346147068 335381528 /nfs/dbraw/zinc/38/15/28/335381528.db2.gz UJNNBYNIOAXJOK-UHFFFAOYSA-N 2 2 315.417 4.095 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCc2ccccc21 ZINC000346149247 335381900 /nfs/dbraw/zinc/38/19/00/335381900.db2.gz LRBZSLDXLCIEPN-GOSISDBHSA-N 2 2 309.438 4.053 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCc2ccccc21 ZINC000346149247 335381901 /nfs/dbraw/zinc/38/19/01/335381901.db2.gz LRBZSLDXLCIEPN-GOSISDBHSA-N 2 2 309.438 4.053 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Cl)c1 ZINC000346149004 335381924 /nfs/dbraw/zinc/38/19/24/335381924.db2.gz LJFKCPMRQFLTKS-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Cl)c1 ZINC000346149004 335381925 /nfs/dbraw/zinc/38/19/25/335381925.db2.gz LJFKCPMRQFLTKS-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346215958 335384882 /nfs/dbraw/zinc/38/48/82/335384882.db2.gz QPBNZWFVGIFYNW-UHFFFAOYSA-N 2 2 323.874 4.281 20 0 DIADLP C[N@H+](Cc1ccc(Cl)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346215958 335384883 /nfs/dbraw/zinc/38/48/83/335384883.db2.gz QPBNZWFVGIFYNW-UHFFFAOYSA-N 2 2 323.874 4.281 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000347506767 335500679 /nfs/dbraw/zinc/50/06/79/335500679.db2.gz QJFQUDXMDQWZOZ-KRWDZBQOSA-N 2 2 305.372 4.019 20 0 DIADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1cc(F)ccc1F ZINC000348070802 335550682 /nfs/dbraw/zinc/55/06/82/335550682.db2.gz HSKXPQCFXMOYDB-SFHVURJKSA-N 2 2 304.384 4.342 20 0 DIADLP CCOc1ccccc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162908798 338492054 /nfs/dbraw/zinc/49/20/54/338492054.db2.gz NGPXMUXWZDUZLB-INIZCTEOSA-N 2 2 313.445 4.023 20 0 DIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000535623046 335694812 /nfs/dbraw/zinc/69/48/12/335694812.db2.gz RHBPOURMAATDPR-HXUWFJFHSA-N 2 2 311.473 4.454 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3c(C)ccc(C)c31)CCC2 ZINC000349814870 335702753 /nfs/dbraw/zinc/70/27/53/335702753.db2.gz WKDLPGZJMPJLBB-PKOBYXMFSA-N 2 2 323.484 4.353 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000532198192 335914581 /nfs/dbraw/zinc/91/45/81/335914581.db2.gz BAIGFPWPNIWRRA-LJQANCHMSA-N 2 2 307.441 4.254 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000351776190 336068578 /nfs/dbraw/zinc/06/85/78/336068578.db2.gz ZAQXXFZNINANJI-OXJNMPFZSA-N 2 2 309.457 4.234 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000351776190 336068579 /nfs/dbraw/zinc/06/85/79/336068579.db2.gz ZAQXXFZNINANJI-OXJNMPFZSA-N 2 2 309.457 4.234 20 0 DIADLP C[C@H](CCSc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352129118 336195903 /nfs/dbraw/zinc/19/59/03/336195903.db2.gz NDVULSXKLLIGHS-OAHLLOKOSA-N 2 2 315.486 4.160 20 0 DIADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000352768421 336234016 /nfs/dbraw/zinc/23/40/16/336234016.db2.gz FNCIAHXRUUDJEE-OAHLLOKOSA-N 2 2 323.893 4.099 20 0 DIADLP c1cc2cc(C[NH2+]CCCc3[nH]c4ccccc4[nH+]3)ccc2o1 ZINC000352813073 336246599 /nfs/dbraw/zinc/24/65/99/336246599.db2.gz JDSRJXJZAOZJFY-UHFFFAOYSA-N 2 2 305.381 4.032 20 0 DIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCn2cc[nH+]c2)cc1C ZINC000532461573 336248836 /nfs/dbraw/zinc/24/88/36/336248836.db2.gz UAVXWDKBMFQUFP-OAQYLSRUSA-N 2 2 319.452 4.074 20 0 DIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000532463129 336248937 /nfs/dbraw/zinc/24/89/37/336248937.db2.gz QYJTZMMEVBWKBG-OAHLLOKOSA-N 2 2 323.440 4.163 20 0 DIADLP CC(C)[C@H](CCc1ccccc1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000532451793 336249889 /nfs/dbraw/zinc/24/98/89/336249889.db2.gz PQAISSZXZBEHCG-FQEVSTJZSA-N 2 2 321.468 4.124 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccs1 ZINC000532451788 336249990 /nfs/dbraw/zinc/24/99/90/336249990.db2.gz DJOBFKGPPJSQQL-MRXNPFEDSA-N 2 2 313.470 4.315 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000532498264 336251209 /nfs/dbraw/zinc/25/12/09/336251209.db2.gz RZPWRTRYDMCENB-CQSZACIVSA-N 2 2 303.837 4.278 20 0 DIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192838188 336265339 /nfs/dbraw/zinc/26/53/39/336265339.db2.gz IPWFFGVCUOHQTG-CQSZACIVSA-N 2 2 312.457 4.273 20 0 DIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192872909 336278501 /nfs/dbraw/zinc/27/85/01/336278501.db2.gz IUAJIUMJKLAPQA-OXQOHEQNSA-N 2 2 324.468 4.472 20 0 DIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000192872936 336278505 /nfs/dbraw/zinc/27/85/05/336278505.db2.gz IUAJIUMJKLAPQA-UZLBHIALSA-N 2 2 324.468 4.472 20 0 DIADLP Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000325254216 336282053 /nfs/dbraw/zinc/28/20/53/336282053.db2.gz WHBJRKODOUJFGT-INIZCTEOSA-N 2 2 323.415 4.213 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301073102 336288557 /nfs/dbraw/zinc/28/85/57/336288557.db2.gz XJUPFFNUDUIREL-UHFFFAOYSA-N 2 2 323.444 4.069 20 0 DIADLP Clc1ccc2c(NCCc3cn4ccccc4[nH+]3)cc[nH+]c2c1 ZINC000301077840 336288808 /nfs/dbraw/zinc/28/88/08/336288808.db2.gz KVNGSTCPHFYGPM-UHFFFAOYSA-N 2 2 322.799 4.191 20 0 DIADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2[nH+]1 ZINC000301104799 336290204 /nfs/dbraw/zinc/29/02/04/336290204.db2.gz IXDLUVDJZOUZAK-UHFFFAOYSA-N 2 2 314.392 4.341 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]c2cc(F)ccc12 ZINC000301230318 336295783 /nfs/dbraw/zinc/29/57/83/336295783.db2.gz AIZDSYNRSPAHGD-UHFFFAOYSA-N 2 2 320.371 4.144 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000301513350 336311622 /nfs/dbraw/zinc/31/16/22/336311622.db2.gz LBRDQTDDQVUCKQ-CYBMUJFWSA-N 2 2 315.383 4.167 20 0 DIADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000301513350 336311623 /nfs/dbraw/zinc/31/16/23/336311623.db2.gz LBRDQTDDQVUCKQ-CYBMUJFWSA-N 2 2 315.383 4.167 20 0 DIADLP C[NH+](C)Cc1ccc(CNc2cc[nH+]c3ccsc32)cc1F ZINC000301849719 336334081 /nfs/dbraw/zinc/33/40/81/336334081.db2.gz AOXLUEHDIFEXNM-UHFFFAOYSA-N 2 2 315.417 4.109 20 0 DIADLP CCC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000301895445 336336668 /nfs/dbraw/zinc/33/66/68/336336668.db2.gz YCYICKAKUGZVNR-UHFFFAOYSA-N 2 2 304.482 4.010 20 0 DIADLP Cc1ccc2[nH+]ccc(NCCCCNc3cccc[nH+]3)c2c1 ZINC000302140424 336350461 /nfs/dbraw/zinc/35/04/61/336350461.db2.gz DOWACTNJKQCNPT-UHFFFAOYSA-N 2 2 306.413 4.242 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cc2cccc(F)c2o1 ZINC000353210652 336406608 /nfs/dbraw/zinc/40/66/08/336406608.db2.gz QOVSKYROZIPZNI-GFCCVEGCSA-N 2 2 309.344 4.070 20 0 DIADLP CC(C)CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccoc1 ZINC000353534660 336423105 /nfs/dbraw/zinc/42/31/05/336423105.db2.gz YZJTVKADVDSMAV-QGZVFWFLSA-N 2 2 301.434 4.244 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CCSc3c(F)cccc32)c[nH+]1 ZINC000353945491 336450454 /nfs/dbraw/zinc/45/04/54/336450454.db2.gz RQUPOCWMXQZPHJ-QGZVFWFLSA-N 2 2 316.445 4.288 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2cccc(-c3ccccn3)c2)c[nH+]1 ZINC000354574612 336475537 /nfs/dbraw/zinc/47/55/37/336475537.db2.gz OMOJRIQJCMCRGE-UHFFFAOYSA-N 2 2 317.436 4.174 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000358042098 336608256 /nfs/dbraw/zinc/60/82/56/336608256.db2.gz DZKNIIZFGNGIOI-QGZVFWFLSA-N 2 2 323.440 4.241 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccco2)c(C)c1 ZINC000358351909 336625648 /nfs/dbraw/zinc/62/56/48/336625648.db2.gz MJJURUWVFKNECO-FUHWJXTLSA-N 2 2 309.413 4.185 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000367367679 336714763 /nfs/dbraw/zinc/71/47/63/336714763.db2.gz MHLYVLLGQYELTQ-GFCCVEGCSA-N 2 2 323.362 4.089 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCOc3ccccc32)[NH+](C)C)cc1 ZINC000360856411 336724534 /nfs/dbraw/zinc/72/45/34/336724534.db2.gz GSUUDSYYGNINNL-UXHICEINSA-N 2 2 324.468 4.101 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCCOc3ccccc32)[NH+](C)C)cc1 ZINC000360856412 336724579 /nfs/dbraw/zinc/72/45/79/336724579.db2.gz GSUUDSYYGNINNL-VQTJNVASSA-N 2 2 324.468 4.101 20 0 DIADLP c1c[nH+]c(-c2cccc(CNc3cc[nH+]c4ccsc43)c2)[nH]1 ZINC000361073632 336737037 /nfs/dbraw/zinc/73/70/37/336737037.db2.gz MHQXSEJGJUFZDK-UHFFFAOYSA-N 2 2 306.394 4.299 20 0 DIADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)s1 ZINC000361089024 336738023 /nfs/dbraw/zinc/73/80/23/336738023.db2.gz TTYVJQTWJSKBLX-UHFFFAOYSA-N 2 2 317.502 4.254 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OC ZINC000361480715 336758336 /nfs/dbraw/zinc/75/83/36/336758336.db2.gz FETLYOWDFHATCK-IBGZPJMESA-N 2 2 321.424 4.122 20 0 DIADLP COc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000361864888 336775987 /nfs/dbraw/zinc/77/59/87/336775987.db2.gz GUBMGQRVNXZWIY-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP Fc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC4)CC3)CC2)cc1 ZINC000362926701 336814984 /nfs/dbraw/zinc/81/49/84/336814984.db2.gz CIJFPLJLKXAXAR-UHFFFAOYSA-N 2 2 316.464 4.103 20 0 DIADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1F ZINC000375266233 337006746 /nfs/dbraw/zinc/00/67/46/337006746.db2.gz LFZGCPMFAJYRAH-OAHLLOKOSA-N 2 2 321.827 4.253 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000429228394 337030228 /nfs/dbraw/zinc/03/02/28/337030228.db2.gz RKXBYUVOKQUUAP-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000429228394 337030229 /nfs/dbraw/zinc/03/02/29/337030229.db2.gz RKXBYUVOKQUUAP-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000582454059 337055074 /nfs/dbraw/zinc/05/50/74/337055074.db2.gz LIZBXUVFUTYGME-MSOLQXFVSA-N 2 2 319.452 4.213 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)CCC2 ZINC000377838305 337062350 /nfs/dbraw/zinc/06/23/50/337062350.db2.gz XNHOQBNYRAQDDH-GFCCVEGCSA-N 2 2 324.255 4.166 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3ccccc3c1)CCC2 ZINC000377838008 337062364 /nfs/dbraw/zinc/06/23/64/337062364.db2.gz UIBHNNIRWLUZLL-IBGZPJMESA-N 2 2 305.425 4.012 20 0 DIADLP Cc1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000377865833 337062831 /nfs/dbraw/zinc/06/28/31/337062831.db2.gz VAHCIEQGRIECSW-NHCUHLMSSA-N 2 2 317.436 4.210 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000173349034 337134713 /nfs/dbraw/zinc/13/47/13/337134713.db2.gz VMYOKQZVBBCAQM-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP c1[nH]c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000178957254 337166528 /nfs/dbraw/zinc/16/65/28/337166528.db2.gz HUVTYOVBNPCROP-SFTDATJTSA-N 2 2 317.436 4.361 20 0 DIADLP CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192136268 337303127 /nfs/dbraw/zinc/30/31/27/337303127.db2.gz UILQSKCOXUXAHU-FQEVSTJZSA-N 2 2 320.440 4.159 20 0 DIADLP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192136268 337303128 /nfs/dbraw/zinc/30/31/28/337303128.db2.gz UILQSKCOXUXAHU-FQEVSTJZSA-N 2 2 320.440 4.159 20 0 DIADLP CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192136273 337303176 /nfs/dbraw/zinc/30/31/76/337303176.db2.gz UILQSKCOXUXAHU-HXUWFJFHSA-N 2 2 320.440 4.159 20 0 DIADLP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192136273 337303177 /nfs/dbraw/zinc/30/31/77/337303177.db2.gz UILQSKCOXUXAHU-HXUWFJFHSA-N 2 2 320.440 4.159 20 0 DIADLP C[NH+]1CCC([NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000583722741 337318210 /nfs/dbraw/zinc/31/82/10/337318210.db2.gz KWNJNGQNXXVDLS-MRXNPFEDSA-N 2 2 313.272 4.128 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cccc2ccccc21 ZINC000583898570 337384760 /nfs/dbraw/zinc/38/47/60/337384760.db2.gz ALEDQOZPHTVEIS-UHFFFAOYSA-N 2 2 304.437 4.308 20 0 DIADLP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796857 337388513 /nfs/dbraw/zinc/38/85/13/337388513.db2.gz SVVVCMHKMCJDKV-INIZCTEOSA-N 2 2 305.425 4.434 20 0 DIADLP CC(C)(C)c1ccc(CC[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000571729392 337574148 /nfs/dbraw/zinc/57/41/48/337574148.db2.gz WHNLVOQXZRXXRQ-UHFFFAOYSA-N 2 2 321.468 4.007 20 0 DIADLP CCC(C)(C)[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000571872073 337579416 /nfs/dbraw/zinc/57/94/16/337579416.db2.gz NEJMCPAPTVZPSW-GRTSSRMGSA-N 2 2 320.443 4.206 20 0 DIADLP Fc1ccc2c(NCCCCNc3cccc[nH+]3)cc[nH+]c2c1 ZINC000078695494 337603774 /nfs/dbraw/zinc/60/37/74/337603774.db2.gz AXPTZEYQMGZZAF-UHFFFAOYSA-N 2 2 310.376 4.073 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000321042661 337609826 /nfs/dbraw/zinc/60/98/26/337609826.db2.gz SWWDYWXRYSFLQZ-HNNXBMFYSA-N 2 2 311.429 4.323 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000422869013 337689206 /nfs/dbraw/zinc/68/92/06/337689206.db2.gz WPRJIUPCGMZKTH-HZPDHXFCSA-N 2 2 324.321 4.079 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC(C)C)c1 ZINC000422870160 337689377 /nfs/dbraw/zinc/68/93/77/337689377.db2.gz BFCUBTDHGPCMCM-RTBURBONSA-N 2 2 310.441 4.017 20 0 DIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000423219806 337705246 /nfs/dbraw/zinc/70/52/46/337705246.db2.gz UOEIVRXWZMNQPN-QRWLVFNGSA-N 2 2 313.489 4.110 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239936 337706599 /nfs/dbraw/zinc/70/65/99/337706599.db2.gz BVMOZHFCCMEABF-UYAOXDASSA-N 2 2 319.452 4.143 20 0 DIADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423247158 337707024 /nfs/dbraw/zinc/70/70/24/337707024.db2.gz QDUKLAJLNIQOIS-BEAPCOKYSA-N 2 2 320.889 4.183 20 0 DIADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423327671 337712043 /nfs/dbraw/zinc/71/20/43/337712043.db2.gz LNWQKBCUMYWSIW-ZANVPECISA-N 2 2 307.290 4.095 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423398241 337715379 /nfs/dbraw/zinc/71/53/79/337715379.db2.gz OPMZYXXTRSDSME-VDDIYKPWSA-N 2 2 321.679 4.295 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC[NH2+]1 ZINC000423378099 337717510 /nfs/dbraw/zinc/71/75/10/337717510.db2.gz MFGSWYAYFILZPC-WCABBAIRSA-N 2 2 319.301 4.162 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536868076 337751011 /nfs/dbraw/zinc/75/10/11/337751011.db2.gz GWUFFWFDDFAFIU-SCWSEQNSSA-N 2 2 317.436 4.154 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1cccc(C)c1)C(C)C)CCC2 ZINC000527862226 337766108 /nfs/dbraw/zinc/76/61/08/337766108.db2.gz HXHRRBMRGYOZGS-MOPGFXCFSA-N 2 2 311.473 4.364 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(Cl)c1 ZINC000424268133 337813690 /nfs/dbraw/zinc/81/36/90/337813690.db2.gz NIARWQWWGHLBCG-CQSZACIVSA-N 2 2 324.896 4.120 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000045094492 337819046 /nfs/dbraw/zinc/81/90/46/337819046.db2.gz NYQDXJYXPYEZHF-GFCCVEGCSA-N 2 2 312.244 4.321 20 0 DIADLP Cc1cc(C)c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000121343037 337892167 /nfs/dbraw/zinc/89/21/67/337892167.db2.gz KQNUMBMRHADIRR-SFHVURJKSA-N 2 2 323.484 4.326 20 0 DIADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000216371142 337898495 /nfs/dbraw/zinc/89/84/95/337898495.db2.gz KKIQZXGDMMUWJJ-YOEHRIQHSA-N 2 2 318.461 4.375 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000516214778 338007648 /nfs/dbraw/zinc/00/76/48/338007648.db2.gz ZVOHIJZTROSNLA-YLJYHZDGSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000428366596 338049036 /nfs/dbraw/zinc/04/90/36/338049036.db2.gz XPUMBXQWJJCYIH-CQSZACIVSA-N 2 2 324.428 4.143 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429029063 338069230 /nfs/dbraw/zinc/06/92/30/338069230.db2.gz NRUGBGRHAMOWHD-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429029063 338069231 /nfs/dbraw/zinc/06/92/31/338069231.db2.gz NRUGBGRHAMOWHD-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429029063 338069232 /nfs/dbraw/zinc/06/92/32/338069232.db2.gz NRUGBGRHAMOWHD-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429029063 338069233 /nfs/dbraw/zinc/06/92/33/338069233.db2.gz NRUGBGRHAMOWHD-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP CC[N@H+](CCCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000429049565 338069851 /nfs/dbraw/zinc/06/98/51/338069851.db2.gz QCQGIFPYSXJTAX-UHFFFAOYSA-N 2 2 303.494 4.056 20 0 DIADLP CC[N@@H+](CCCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000429049565 338069852 /nfs/dbraw/zinc/06/98/52/338069852.db2.gz QCQGIFPYSXJTAX-UHFFFAOYSA-N 2 2 303.494 4.056 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)c1ccccc1F ZINC000429253459 338074897 /nfs/dbraw/zinc/07/48/97/338074897.db2.gz KGXFMFHJDGRQQS-UHFFFAOYSA-N 2 2 323.415 4.345 20 0 DIADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000430698151 338111667 /nfs/dbraw/zinc/11/16/67/338111667.db2.gz CEJBCETWNIPPSA-AHRSYUTCSA-N 2 2 311.473 4.236 20 0 DIADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000430699445 338111702 /nfs/dbraw/zinc/11/17/02/338111702.db2.gz PTSHUJJPBWMYEZ-NSISKUIASA-N 2 2 311.473 4.236 20 0 DIADLP Clc1scc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1Cl ZINC000432239727 338149965 /nfs/dbraw/zinc/14/99/65/338149965.db2.gz FUJMNAKWPXZURQ-UHFFFAOYSA-N 2 2 319.301 4.161 20 0 DIADLP Clc1scc(C[NH2+]CCCNc2cccc[nH+]2)c1Cl ZINC000432255021 338151439 /nfs/dbraw/zinc/15/14/39/338151439.db2.gz XTBYVJRRGNGXNA-UHFFFAOYSA-N 2 2 316.257 4.042 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433306310 338190843 /nfs/dbraw/zinc/19/08/43/338190843.db2.gz SALSJBCCJUSSBV-CXAGYDPISA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433306310 338190844 /nfs/dbraw/zinc/19/08/44/338190844.db2.gz SALSJBCCJUSSBV-CXAGYDPISA-N 2 2 324.871 4.250 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418380 338204542 /nfs/dbraw/zinc/20/45/42/338204542.db2.gz NXBOLTLTGKMYAV-UWVGGRQHSA-N 2 2 319.301 4.190 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418380 338204543 /nfs/dbraw/zinc/20/45/43/338204543.db2.gz NXBOLTLTGKMYAV-UWVGGRQHSA-N 2 2 319.301 4.190 20 0 DIADLP Clc1cccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000434490538 338218145 /nfs/dbraw/zinc/21/81/45/338218145.db2.gz YRVQZTSVJLCURF-CYBMUJFWSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1cccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000434490538 338218146 /nfs/dbraw/zinc/21/81/46/338218146.db2.gz YRVQZTSVJLCURF-CYBMUJFWSA-N 2 2 324.255 4.139 20 0 DIADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000435058491 338231337 /nfs/dbraw/zinc/23/13/37/338231337.db2.gz TYSASSVMVLLDIZ-OAHLLOKOSA-N 2 2 316.470 4.094 20 0 DIADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000435058491 338231338 /nfs/dbraw/zinc/23/13/38/338231338.db2.gz TYSASSVMVLLDIZ-OAHLLOKOSA-N 2 2 316.470 4.094 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000437006156 338297493 /nfs/dbraw/zinc/29/74/93/338297493.db2.gz HEDMJLOXKJYQEX-UYAOXDASSA-N 2 2 309.457 4.027 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000437697881 338318711 /nfs/dbraw/zinc/31/87/11/338318711.db2.gz YFVLWBAGKOTHJP-QUCCMNQESA-N 2 2 309.457 4.100 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000438118481 338333019 /nfs/dbraw/zinc/33/30/19/338333019.db2.gz QOAKTHGWIUWTCX-AZUAARDMSA-N 2 2 309.457 4.100 20 0 DIADLP CC(C)=CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000439483265 338371371 /nfs/dbraw/zinc/37/13/71/338371371.db2.gz HHLPGYFQPQZOFD-UHFFFAOYSA-N 2 2 303.837 4.005 20 0 DIADLP CC(C)=CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000439483265 338371372 /nfs/dbraw/zinc/37/13/72/338371372.db2.gz HHLPGYFQPQZOFD-UHFFFAOYSA-N 2 2 303.837 4.005 20 0 DIADLP Cc1ccccc1CCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000440058468 338382953 /nfs/dbraw/zinc/38/29/53/338382953.db2.gz YPKHGWLTOYMHLQ-SBHAEUEKSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000440058468 338382954 /nfs/dbraw/zinc/38/29/54/338382954.db2.gz YPKHGWLTOYMHLQ-SBHAEUEKSA-N 2 2 314.517 4.265 20 0 DIADLP C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000442636767 338426443 /nfs/dbraw/zinc/42/64/43/338426443.db2.gz URTRGZISONXXAL-IUDNXUCKSA-N 2 2 319.399 4.347 20 0 DIADLP C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000442835064 338433957 /nfs/dbraw/zinc/43/39/57/338433957.db2.gz KZZFOIXPZXDPFM-YJNKEBTESA-N 2 2 310.432 4.091 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000449296133 338610501 /nfs/dbraw/zinc/61/05/01/338610501.db2.gz YBUABUJDAZVNPG-LRVUVFPRSA-N 2 2 320.443 4.206 20 0 DIADLP CCc1cc(N2CCC(n3c(C)[nH+]c4ccccc43)CC2)cc[nH+]1 ZINC000450494678 338687792 /nfs/dbraw/zinc/68/77/92/338687792.db2.gz NVTRYHJDSVBOAX-UHFFFAOYSA-N 2 2 320.440 4.144 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000194880717 338770993 /nfs/dbraw/zinc/77/09/93/338770993.db2.gz NUXCVJZDHBLCKR-OAHLLOKOSA-N 2 2 315.486 4.346 20 0 DIADLP CC[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1ccncc1 ZINC000453054293 338788145 /nfs/dbraw/zinc/78/81/45/338788145.db2.gz HICQKTXQIYFKRC-IAGOWNOFSA-N 2 2 315.486 4.021 20 0 DIADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459434231 339028919 /nfs/dbraw/zinc/02/89/19/339028919.db2.gz HKNZALAKQVLKPH-GOSISDBHSA-N 2 2 308.416 4.022 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc(C3CC3)cc2)CC1 ZINC000459553498 339035362 /nfs/dbraw/zinc/03/53/62/339035362.db2.gz YDKHHCBPVHFICW-UHFFFAOYSA-N 2 2 324.468 4.253 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccc(C3CC3)cc2)CC1 ZINC000459553498 339035363 /nfs/dbraw/zinc/03/53/63/339035363.db2.gz YDKHHCBPVHFICW-UHFFFAOYSA-N 2 2 324.468 4.253 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459662292 339040994 /nfs/dbraw/zinc/04/09/94/339040994.db2.gz AALQAXSQQNEPIH-RHSMWYFYSA-N 2 2 318.823 4.261 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000459757021 339046607 /nfs/dbraw/zinc/04/66/07/339046607.db2.gz GHWFNFLCVZMONH-INIZCTEOSA-N 2 2 320.443 4.352 20 0 DIADLP Cc1ccc2c(C)cc(N3CCC[C@H]([NH+]4CCCC4)CC3)[nH+]c2c1 ZINC000460962216 339056061 /nfs/dbraw/zinc/05/60/61/339056061.db2.gz XDMKFWKLNMWAEO-SFHVURJKSA-N 2 2 323.484 4.306 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@H](CC)c2cccc(Cl)c2F)CC1 ZINC000461093816 339059095 /nfs/dbraw/zinc/05/90/95/339059095.db2.gz JSPDANBZUYUMBQ-MRXNPFEDSA-N 2 2 312.860 4.394 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2F)CC1 ZINC000461093815 339059099 /nfs/dbraw/zinc/05/90/99/339059099.db2.gz JSPDANBZUYUMBQ-INIZCTEOSA-N 2 2 312.860 4.394 20 0 DIADLP Cc1cccn2c(C[NH2+]CCc3ccc4ccccc4c3)c[nH+]c12 ZINC000462366743 339076915 /nfs/dbraw/zinc/07/69/15/339076915.db2.gz XBMOEQBVIVFCAX-UHFFFAOYSA-N 2 2 315.420 4.128 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3c4ccccc4CCC[C@H]3C)n2c1 ZINC000462543636 339081017 /nfs/dbraw/zinc/08/10/17/339081017.db2.gz UESXRJTTYWKPBV-IIBYNOLFSA-N 2 2 319.452 4.446 20 0 DIADLP c1c[nH+]c([C@H](Nc2cc3c(c[nH+]2)CCCC3)C2CCCCC2)[nH]1 ZINC000462969722 339099296 /nfs/dbraw/zinc/09/92/96/339099296.db2.gz VMWXNWGZYCQTAJ-GOSISDBHSA-N 2 2 310.445 4.417 20 0 DIADLP CCOC[C@H]1CCC[C@@H]1[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000463028449 339101504 /nfs/dbraw/zinc/10/15/04/339101504.db2.gz ASQAZSVZLQPGDT-APWZRJJASA-N 2 2 313.445 4.106 20 0 DIADLP COC1(C[C@@H](C)[NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)CCC1 ZINC000463027855 339101529 /nfs/dbraw/zinc/10/15/29/339101529.db2.gz JHSVXWJJWZPWFD-CQSZACIVSA-N 2 2 313.445 4.249 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029005 339101738 /nfs/dbraw/zinc/10/17/38/339101738.db2.gz PRZAONFGPKQTJR-YQQAZPJKSA-N 2 2 316.489 4.140 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029005 339101739 /nfs/dbraw/zinc/10/17/39/339101739.db2.gz PRZAONFGPKQTJR-YQQAZPJKSA-N 2 2 316.489 4.140 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000463201638 339109082 /nfs/dbraw/zinc/10/90/82/339109082.db2.gz MGOQJULSZBLUTC-PKOBYXMFSA-N 2 2 311.473 4.389 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000463201638 339109083 /nfs/dbraw/zinc/10/90/83/339109083.db2.gz MGOQJULSZBLUTC-PKOBYXMFSA-N 2 2 311.473 4.389 20 0 DIADLP C[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463238633 339111153 /nfs/dbraw/zinc/11/11/53/339111153.db2.gz SSSUFTHLNKUAKD-AWEZNQCLSA-N 2 2 320.443 4.352 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1C ZINC000463239674 339111296 /nfs/dbraw/zinc/11/12/96/339111296.db2.gz ZKSITHOBVAFFIS-KFWWJZLASA-N 2 2 320.443 4.065 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000463242731 339111482 /nfs/dbraw/zinc/11/14/82/339111482.db2.gz KZGSWXZCXOOZSW-SQGPQFPESA-N 2 2 324.468 4.096 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000463242731 339111483 /nfs/dbraw/zinc/11/14/83/339111483.db2.gz KZGSWXZCXOOZSW-SQGPQFPESA-N 2 2 324.468 4.096 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000463242730 339111521 /nfs/dbraw/zinc/11/15/21/339111521.db2.gz KZGSWXZCXOOZSW-QKLQHJQFSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000463242730 339111522 /nfs/dbraw/zinc/11/15/22/339111522.db2.gz KZGSWXZCXOOZSW-QKLQHJQFSA-N 2 2 324.468 4.096 20 0 DIADLP CC(C)=CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463282693 339113313 /nfs/dbraw/zinc/11/33/13/339113313.db2.gz RXMZKYXONJGXIK-UHFFFAOYSA-N 2 2 306.881 4.250 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420701 339203820 /nfs/dbraw/zinc/20/38/20/339203820.db2.gz FIAKHWWMOQFZAN-MPWLDHFDSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420701 339203821 /nfs/dbraw/zinc/20/38/21/339203821.db2.gz FIAKHWWMOQFZAN-MPWLDHFDSA-N 2 2 320.480 4.358 20 0 DIADLP CC(C)[NH+](CCC[NH2+]Cc1c(F)cccc1Cl)C(C)C ZINC000467777980 339246530 /nfs/dbraw/zinc/24/65/30/339246530.db2.gz NLOUADXDWAHZDK-UHFFFAOYSA-N 2 2 300.849 4.078 20 0 DIADLP CCCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000467834383 339247319 /nfs/dbraw/zinc/24/73/19/339247319.db2.gz RXFCSBKHORAFRA-IBGZPJMESA-N 2 2 311.473 4.283 20 0 DIADLP COc1ccc([C@@H](C[NH2+][C@@H](C)CC2CC2)[NH+]2CCCCC2)cc1 ZINC000468389466 339261399 /nfs/dbraw/zinc/26/13/99/339261399.db2.gz GYBJVNYEMGCLBE-OXJNMPFZSA-N 2 2 316.489 4.000 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1)CCC2 ZINC000468552281 339266082 /nfs/dbraw/zinc/26/60/82/339266082.db2.gz GVORCTYWAYSDJZ-HSALFYBXSA-N 2 2 323.484 4.303 20 0 DIADLP COc1ccc([C@@H](C[NH2+][C@@H](C)CCC2CC2)[NH+]2CCCC2)cc1 ZINC000469775425 339298969 /nfs/dbraw/zinc/29/89/69/339298969.db2.gz LZHTUBFRPMVTKD-OXJNMPFZSA-N 2 2 316.489 4.000 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@H](C)CCC2CC2)[NH+]2CCCC2)cc1 ZINC000469775427 339298976 /nfs/dbraw/zinc/29/89/76/339298976.db2.gz LZHTUBFRPMVTKD-UZLBHIALSA-N 2 2 316.489 4.000 20 0 DIADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000469983374 339306855 /nfs/dbraw/zinc/30/68/55/339306855.db2.gz HHDVSYDMHIMPHZ-YLJYHZDGSA-N 2 2 311.473 4.132 20 0 DIADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000469983374 339306856 /nfs/dbraw/zinc/30/68/56/339306856.db2.gz HHDVSYDMHIMPHZ-YLJYHZDGSA-N 2 2 311.473 4.132 20 0 DIADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363153 339318305 /nfs/dbraw/zinc/31/83/05/339318305.db2.gz NHTGDUWDDPIXFE-YOEHRIQHSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363153 339318306 /nfs/dbraw/zinc/31/83/06/339318306.db2.gz NHTGDUWDDPIXFE-YOEHRIQHSA-N 2 2 306.881 4.050 20 0 DIADLP CSc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472037409 339359965 /nfs/dbraw/zinc/35/99/65/339359965.db2.gz JMKZNFVHYWIHFN-DNVCBOLYSA-N 2 2 314.498 4.190 20 0 DIADLP Cc1ccc2[nH]c(C[NH2+]CCCCNc3cccc[nH+]3)cc2c1C ZINC000472051163 339361037 /nfs/dbraw/zinc/36/10/37/339361037.db2.gz DVNKSSQQJSDAJZ-UHFFFAOYSA-N 2 2 322.456 4.162 20 0 DIADLP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000472063502 339361815 /nfs/dbraw/zinc/36/18/15/339361815.db2.gz DSUKLIKPMNTSIS-QRWLVFNGSA-N 2 2 308.425 4.214 20 0 DIADLP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[N@H+](C)Cc1ccccc1 ZINC000474026671 339397473 /nfs/dbraw/zinc/39/74/73/339397473.db2.gz ACXIOEHLJGWNSC-HZPDHXFCSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000474026671 339397474 /nfs/dbraw/zinc/39/74/74/339397474.db2.gz ACXIOEHLJGWNSC-HZPDHXFCSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000474036874 339398293 /nfs/dbraw/zinc/39/82/93/339398293.db2.gz QNEBTOMMCBBLOF-ZNMIVQPWSA-N 2 2 302.453 4.053 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000474036874 339398294 /nfs/dbraw/zinc/39/82/94/339398294.db2.gz QNEBTOMMCBBLOF-ZNMIVQPWSA-N 2 2 302.453 4.053 20 0 DIADLP Cc1ccc(CCC[NH2+]CCc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000474484670 339417319 /nfs/dbraw/zinc/41/73/19/339417319.db2.gz LWXDQXWTOFZCBW-UHFFFAOYSA-N 2 2 323.267 4.462 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](CC(C)C)C1)CCC2 ZINC000474811366 339427548 /nfs/dbraw/zinc/42/75/48/339427548.db2.gz RABXYKZKAKRZGT-BZSNNMDCSA-N 2 2 303.494 4.263 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@@H](c4cccc(F)c4)C3)c[nH+]c12 ZINC000475570443 339455870 /nfs/dbraw/zinc/45/58/70/339455870.db2.gz JDWDENLBGFAHQC-AEFFLSMTSA-N 2 2 323.415 4.208 20 0 DIADLP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC000479334075 339531302 /nfs/dbraw/zinc/53/13/02/339531302.db2.gz XTPUCVMJMQSRKH-IBGZPJMESA-N 2 2 322.443 4.126 20 0 DIADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479524202 339539328 /nfs/dbraw/zinc/53/93/28/339539328.db2.gz SABZSXSMFNBLAP-UHFFFAOYSA-N 2 2 318.464 4.363 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000480691498 339583400 /nfs/dbraw/zinc/58/34/00/339583400.db2.gz VUVJIALOIVJYTK-YCPHGPKFSA-N 2 2 316.411 4.389 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000480790332 339587350 /nfs/dbraw/zinc/58/73/50/339587350.db2.gz VHQBKYSEKNLHBK-FQEVSTJZSA-N 2 2 311.473 4.380 20 0 DIADLP Cc1cc(C)cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000481301408 339600326 /nfs/dbraw/zinc/60/03/26/339600326.db2.gz ZBDUGKBYVOTFNY-SFHVURJKSA-N 2 2 323.484 4.014 20 0 DIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000481401090 339603383 /nfs/dbraw/zinc/60/33/83/339603383.db2.gz IGASEUORSKJECQ-ZUOKHONESA-N 2 2 323.415 4.158 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1Cl ZINC000481424372 339603969 /nfs/dbraw/zinc/60/39/69/339603969.db2.gz XVVPAIRDZRSAIO-CYBMUJFWSA-N 2 2 313.832 4.500 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000481948440 339617762 /nfs/dbraw/zinc/61/77/62/339617762.db2.gz AEGFCSDZYWJFSC-NVXWUHKLSA-N 2 2 302.487 4.318 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000482953045 339648147 /nfs/dbraw/zinc/64/81/47/339648147.db2.gz RTIDXRPDHIVXLH-JKSUJKDBSA-N 2 2 300.446 4.368 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc3c(c1)CCCC3)CCC2 ZINC000483431298 339665453 /nfs/dbraw/zinc/66/54/53/339665453.db2.gz AWEAQQDBLMYEPB-JXFKEZNVSA-N 2 2 323.484 4.299 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000484295795 339684163 /nfs/dbraw/zinc/68/41/63/339684163.db2.gz WGPOFIYSNXMIAQ-CYBMUJFWSA-N 2 2 323.362 4.253 20 0 DIADLP Fc1cc(Cl)cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000485728883 339711623 /nfs/dbraw/zinc/71/16/23/339711623.db2.gz CTKXBXGFDOEINC-UHFFFAOYSA-N 2 2 317.795 4.078 20 0 DIADLP c1cn2c(cccc2C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000486905773 339737704 /nfs/dbraw/zinc/73/77/04/339737704.db2.gz NXHKFSHSYAWRRV-MSOLQXFVSA-N 2 2 305.425 4.150 20 0 DIADLP FC1(F)CCCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000491597274 339868339 /nfs/dbraw/zinc/86/83/39/339868339.db2.gz SVKPQNIBAVBTBJ-MRXNPFEDSA-N 2 2 319.399 4.178 20 0 DIADLP CCCCC/C(=C\c1ccccc1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494442577 339949208 /nfs/dbraw/zinc/94/92/08/339949208.db2.gz FAJXNTKBHGAZQM-ZWUNQBBJSA-N 2 2 323.484 4.451 20 0 DIADLP C[C@@H]1C[C@@]1([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000500423643 340058009 /nfs/dbraw/zinc/05/80/09/340058009.db2.gz KMZCYAZFMJCEIE-ACJLOTCBSA-N 2 2 311.816 4.013 20 0 DIADLP C[C@@H]1C[C@]1([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000500423647 340058021 /nfs/dbraw/zinc/05/80/21/340058021.db2.gz KMZCYAZFMJCEIE-FZKQIMNGSA-N 2 2 311.816 4.013 20 0 DIADLP C[C@H]1C[C@@]1([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000500423655 340058077 /nfs/dbraw/zinc/05/80/77/340058077.db2.gz KMZCYAZFMJCEIE-UGSOOPFHSA-N 2 2 311.816 4.013 20 0 DIADLP CC[C@H]1C[C@@]1([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C)c1 ZINC000500538973 340061841 /nfs/dbraw/zinc/06/18/41/340061841.db2.gz VXZCDHOFLCESEA-JXFKEZNVSA-N 2 2 305.425 4.058 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)n2c1 ZINC000500561377 340062280 /nfs/dbraw/zinc/06/22/80/340062280.db2.gz SDVXYPMEJNFHEJ-LJQANCHMSA-N 2 2 311.404 4.269 20 0 DIADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC000500618238 340063851 /nfs/dbraw/zinc/06/38/51/340063851.db2.gz NXHVCGCQASUNTH-WOJBJXKFSA-N 2 2 323.484 4.177 20 0 DIADLP CC(C)OC[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000501446125 340081214 /nfs/dbraw/zinc/08/12/14/340081214.db2.gz SDZUKIRDAMZNBW-ZWKOTPCHSA-N 2 2 318.505 4.053 20 0 DIADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502303229 340099238 /nfs/dbraw/zinc/09/92/38/340099238.db2.gz SHMVXNKBYUAYDY-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502303229 340099239 /nfs/dbraw/zinc/09/92/39/340099239.db2.gz SHMVXNKBYUAYDY-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)oc1C ZINC000502475872 340105345 /nfs/dbraw/zinc/10/53/45/340105345.db2.gz WYMDKSNVIYMZQG-OAHLLOKOSA-N 2 2 304.478 4.344 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000502508106 340106235 /nfs/dbraw/zinc/10/62/35/340106235.db2.gz JWAPAKCFXIOTAG-GJZGRUSLSA-N 2 2 319.399 4.348 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000502696130 340110910 /nfs/dbraw/zinc/11/09/10/340110910.db2.gz CYOKRAGCAVYFOX-MRXNPFEDSA-N 2 2 312.457 4.212 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC12CCC2)c1cccc(OC)c1 ZINC000502701478 340111368 /nfs/dbraw/zinc/11/13/68/340111368.db2.gz VJWNPRDFKGRBEK-OALUTQOASA-N 2 2 316.489 4.000 20 0 DIADLP CC[C@@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000503040407 340119488 /nfs/dbraw/zinc/11/94/88/340119488.db2.gz ADBMOMWJIUKKBG-KRWDZBQOSA-N 2 2 321.468 4.289 20 0 DIADLP FC1(F)CCC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000503059313 340119873 /nfs/dbraw/zinc/11/98/73/340119873.db2.gz GCUXVFRIXWCHQC-GOSISDBHSA-N 2 2 322.443 4.066 20 0 DIADLP FC1(F)CCC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000503059313 340119874 /nfs/dbraw/zinc/11/98/74/340119874.db2.gz GCUXVFRIXWCHQC-GOSISDBHSA-N 2 2 322.443 4.066 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503089722 340120787 /nfs/dbraw/zinc/12/07/87/340120787.db2.gz YMQXFVMZNJBEQN-UTKZUKDTSA-N 2 2 319.452 4.428 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503089722 340120788 /nfs/dbraw/zinc/12/07/88/340120788.db2.gz YMQXFVMZNJBEQN-UTKZUKDTSA-N 2 2 319.452 4.428 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n2c1CCCC2 ZINC000503367400 340126443 /nfs/dbraw/zinc/12/64/43/340126443.db2.gz LIQZVLLRRLNSQK-IBGZPJMESA-N 2 2 323.484 4.032 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n2c1CCCC2 ZINC000503367400 340126444 /nfs/dbraw/zinc/12/64/44/340126444.db2.gz LIQZVLLRRLNSQK-IBGZPJMESA-N 2 2 323.484 4.032 20 0 DIADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407880 340127526 /nfs/dbraw/zinc/12/75/26/340127526.db2.gz RKGGTAIBFUFIIP-IAGOWNOFSA-N 2 2 303.494 4.081 20 0 DIADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407880 340127527 /nfs/dbraw/zinc/12/75/27/340127527.db2.gz RKGGTAIBFUFIIP-IAGOWNOFSA-N 2 2 303.494 4.081 20 0 DIADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000504899509 340155337 /nfs/dbraw/zinc/15/53/37/340155337.db2.gz IBLKJADBPPQWAD-QAPCUYQASA-N 2 2 305.425 4.023 20 0 DIADLP Clc1ccc(/C=C/C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506367295 340193248 /nfs/dbraw/zinc/19/32/48/340193248.db2.gz COCFZSSRTNRHPS-SNAWJCMRSA-N 2 2 318.892 4.304 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474921 340195218 /nfs/dbraw/zinc/19/52/18/340195218.db2.gz QSUXJSUFTQGDFU-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474921 340195219 /nfs/dbraw/zinc/19/52/19/340195219.db2.gz QSUXJSUFTQGDFU-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000506474921 340195220 /nfs/dbraw/zinc/19/52/20/340195220.db2.gz QSUXJSUFTQGDFU-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000506474921 340195221 /nfs/dbraw/zinc/19/52/21/340195221.db2.gz QSUXJSUFTQGDFU-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507489185 340222515 /nfs/dbraw/zinc/22/25/15/340222515.db2.gz WNODKPKPLYAZQR-JKSUJKDBSA-N 2 2 320.443 4.208 20 0 DIADLP CCC(CC)(CC)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507506584 340223256 /nfs/dbraw/zinc/22/32/56/340223256.db2.gz GZMDWKPZFMNJQH-UHFFFAOYSA-N 2 2 308.432 4.209 20 0 DIADLP Cc1cccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000302222676 340270631 /nfs/dbraw/zinc/27/06/31/340270631.db2.gz PBABNMZXZPJSFX-NRFANRHFSA-N 2 2 308.469 4.230 20 0 DIADLP Cc1cc(F)ccc1C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000510296313 340295337 /nfs/dbraw/zinc/29/53/37/340295337.db2.gz PRZLTJOSDJCCIA-INIZCTEOSA-N 2 2 314.448 4.353 20 0 DIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000303012616 340295450 /nfs/dbraw/zinc/29/54/50/340295450.db2.gz KMYVRZIELNUGNX-GOSISDBHSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000303012616 340295451 /nfs/dbraw/zinc/29/54/51/340295451.db2.gz KMYVRZIELNUGNX-GOSISDBHSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000303012617 340295477 /nfs/dbraw/zinc/29/54/77/340295477.db2.gz KMYVRZIELNUGNX-SFHVURJKSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000303012617 340295478 /nfs/dbraw/zinc/29/54/78/340295478.db2.gz KMYVRZIELNUGNX-SFHVURJKSA-N 2 2 320.908 4.284 20 0 DIADLP Fc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1F ZINC000303142187 340305253 /nfs/dbraw/zinc/30/52/53/340305253.db2.gz DBRGIHDBOKESQW-MRXNPFEDSA-N 2 2 322.443 4.053 20 0 DIADLP Fc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1F ZINC000303142187 340305254 /nfs/dbraw/zinc/30/52/54/340305254.db2.gz DBRGIHDBOKESQW-MRXNPFEDSA-N 2 2 322.443 4.053 20 0 DIADLP c1csc([C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)[NH+]2CCCC2)c1 ZINC000510729200 340308370 /nfs/dbraw/zinc/30/83/70/340308370.db2.gz BFLCYDUYMLMISD-BBWFWOEESA-N 2 2 304.503 4.053 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000510731736 340308561 /nfs/dbraw/zinc/30/85/61/340308561.db2.gz GWGOXQZODCLHOE-LMCOJAPRSA-N 2 2 318.480 4.330 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000510731736 340308562 /nfs/dbraw/zinc/30/85/62/340308562.db2.gz GWGOXQZODCLHOE-LMCOJAPRSA-N 2 2 318.480 4.330 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccsc1 ZINC000510926785 340315058 /nfs/dbraw/zinc/31/50/58/340315058.db2.gz FBNITIMBPOTUBK-RLFYNMQTSA-N 2 2 300.471 4.234 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccsc1 ZINC000510926785 340315059 /nfs/dbraw/zinc/31/50/59/340315059.db2.gz FBNITIMBPOTUBK-RLFYNMQTSA-N 2 2 300.471 4.234 20 0 DIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCC(F)(F)F ZINC000511747813 340336922 /nfs/dbraw/zinc/33/69/22/340336922.db2.gz BIHFOBIVYRFZSC-UHFFFAOYSA-N 2 2 316.411 4.029 20 0 DIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCC(F)(F)F ZINC000511747813 340336923 /nfs/dbraw/zinc/33/69/23/340336923.db2.gz BIHFOBIVYRFZSC-UHFFFAOYSA-N 2 2 316.411 4.029 20 0 DIADLP C[NH+](CCC(F)(F)F)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000511747813 340336924 /nfs/dbraw/zinc/33/69/24/340336924.db2.gz BIHFOBIVYRFZSC-UHFFFAOYSA-N 2 2 316.411 4.029 20 0 DIADLP C[NH+](CCC(F)(F)F)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000511747813 340336925 /nfs/dbraw/zinc/33/69/25/340336925.db2.gz BIHFOBIVYRFZSC-UHFFFAOYSA-N 2 2 316.411 4.029 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511754285 340337280 /nfs/dbraw/zinc/33/72/80/340337280.db2.gz ISGKQZVVLWYHRL-UHFFFAOYSA-N 2 2 300.833 4.122 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214235 340352702 /nfs/dbraw/zinc/35/27/02/340352702.db2.gz VKWBEIDZYSUTMT-NVXWUHKLSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214235 340352703 /nfs/dbraw/zinc/35/27/03/340352703.db2.gz VKWBEIDZYSUTMT-NVXWUHKLSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214235 340352704 /nfs/dbraw/zinc/35/27/04/340352704.db2.gz VKWBEIDZYSUTMT-NVXWUHKLSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214235 340352705 /nfs/dbraw/zinc/35/27/05/340352705.db2.gz VKWBEIDZYSUTMT-NVXWUHKLSA-N 2 2 322.443 4.051 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000512287448 340355541 /nfs/dbraw/zinc/35/55/41/340355541.db2.gz SWJSURMPVKRSIZ-SFHVURJKSA-N 2 2 323.484 4.142 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000512287448 340355542 /nfs/dbraw/zinc/35/55/42/340355542.db2.gz SWJSURMPVKRSIZ-SFHVURJKSA-N 2 2 323.484 4.142 20 0 DIADLP c1c[nH+]c(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)[nH]1 ZINC000512364675 340358960 /nfs/dbraw/zinc/35/89/60/340358960.db2.gz KHKBMRQOQLLNMP-UHFFFAOYSA-N 2 2 317.436 4.456 20 0 DIADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513204897 340396885 /nfs/dbraw/zinc/39/68/85/340396885.db2.gz WWJRRYZTSZBTSW-CABCVRRESA-N 2 2 320.443 4.209 20 0 DIADLP C[C@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513204898 340397034 /nfs/dbraw/zinc/39/70/34/340397034.db2.gz WWJRRYZTSZBTSW-GJZGRUSLSA-N 2 2 320.443 4.209 20 0 DIADLP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513475067 340409523 /nfs/dbraw/zinc/40/95/23/340409523.db2.gz IQKFRRIRDHJFTL-OAHLLOKOSA-N 2 2 308.897 4.329 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000192081618 340561747 /nfs/dbraw/zinc/56/17/47/340561747.db2.gz XKFIPHUAFGJXAO-UHFFFAOYSA-N 2 2 317.436 4.350 20 0 DIADLP c1cc2c(cccc2C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)[nH]1 ZINC000236662064 340663421 /nfs/dbraw/zinc/66/34/21/340663421.db2.gz ZYMHBJUZVDYTJS-NRFANRHFSA-N 2 2 319.452 4.095 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000237707212 340673193 /nfs/dbraw/zinc/67/31/93/340673193.db2.gz JUQDNLTXDWOJRJ-UHFFFAOYSA-N 2 2 319.452 4.189 20 0 DIADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000322637425 340705641 /nfs/dbraw/zinc/70/56/41/340705641.db2.gz HWYRLQAYULIXOX-HKUYNNGSSA-N 2 2 315.505 4.245 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccccc2COC(C)C)c[nH+]1 ZINC000525987605 340707668 /nfs/dbraw/zinc/70/76/68/340707668.db2.gz FXFXDFCXNMFUDZ-UHFFFAOYSA-N 2 2 312.457 4.037 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)[NH+]2CCCC2)cc1 ZINC000529537855 340760759 /nfs/dbraw/zinc/76/07/59/340760759.db2.gz HPOXEYQSOGQHEJ-CRAIPNDOSA-N 2 2 322.443 4.155 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)[NH+]2CCCC2)cc1 ZINC000529537858 340760884 /nfs/dbraw/zinc/76/08/84/340760884.db2.gz HPOXEYQSOGQHEJ-YJBOKZPZSA-N 2 2 322.443 4.155 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000539040505 340866365 /nfs/dbraw/zinc/86/63/65/340866365.db2.gz GOOKSPKHBXESDI-AWEZNQCLSA-N 2 2 300.471 4.224 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000542243649 341001554 /nfs/dbraw/zinc/00/15/54/341001554.db2.gz UTRAWINFGHZMNR-CVEARBPZSA-N 2 2 323.550 4.257 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCc2ccccc21 ZINC000542465286 341008459 /nfs/dbraw/zinc/00/84/59/341008459.db2.gz DPKUTGTZGNEBMS-IBGZPJMESA-N 2 2 323.465 4.443 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCc2ccccc21 ZINC000542465286 341008460 /nfs/dbraw/zinc/00/84/60/341008460.db2.gz DPKUTGTZGNEBMS-IBGZPJMESA-N 2 2 323.465 4.443 20 0 DIADLP CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663042 341015979 /nfs/dbraw/zinc/01/59/79/341015979.db2.gz PFBZUDPRQRUMAT-YYWHXJBOSA-N 2 2 323.484 4.175 20 0 DIADLP CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663042 341015980 /nfs/dbraw/zinc/01/59/80/341015980.db2.gz PFBZUDPRQRUMAT-YYWHXJBOSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000070982407 341020820 /nfs/dbraw/zinc/02/08/20/341020820.db2.gz BGIOFHADFPYSKU-OXQOHEQNSA-N 2 2 324.468 4.157 20 0 DIADLP CC[C@H](C)[C@@H](C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395549 341041953 /nfs/dbraw/zinc/04/19/53/341041953.db2.gz ITAZFWBOXHMHTQ-UONOGXRCSA-N 2 2 303.475 4.333 20 0 DIADLP CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395549 341041954 /nfs/dbraw/zinc/04/19/54/341041954.db2.gz ITAZFWBOXHMHTQ-UONOGXRCSA-N 2 2 303.475 4.333 20 0 DIADLP C[C@H](C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000544351914 341077727 /nfs/dbraw/zinc/07/77/27/341077727.db2.gz RNEVVWUESLGYPW-OAHLLOKOSA-N 2 2 311.454 4.169 20 0 DIADLP C[C@H](C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000544351914 341077728 /nfs/dbraw/zinc/07/77/28/341077728.db2.gz RNEVVWUESLGYPW-OAHLLOKOSA-N 2 2 311.454 4.169 20 0 DIADLP CS[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000544386120 341079628 /nfs/dbraw/zinc/07/96/28/341079628.db2.gz SSDKOXFUPDAWBB-RHSMWYFYSA-N 2 2 317.502 4.301 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000131461888 341090294 /nfs/dbraw/zinc/09/02/94/341090294.db2.gz FNDXGANTMSZLIU-OAHLLOKOSA-N 2 2 317.502 4.193 20 0 DIADLP Cc1ccccc1C([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1C ZINC000544828849 341095213 /nfs/dbraw/zinc/09/52/13/341095213.db2.gz ALLYENNPUYXWDF-RBUKOAKNSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccccc1C([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1C ZINC000544828849 341095214 /nfs/dbraw/zinc/09/52/14/341095214.db2.gz ALLYENNPUYXWDF-RBUKOAKNSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000545517540 341128097 /nfs/dbraw/zinc/12/80/97/341128097.db2.gz MDBVEVDLLGOVAL-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000564301134 341158794 /nfs/dbraw/zinc/15/87/94/341158794.db2.gz FDOFTANWERIWJD-MRXNPFEDSA-N 2 2 300.471 4.093 20 0 DIADLP CCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000547282004 341203455 /nfs/dbraw/zinc/20/34/55/341203455.db2.gz NNNMUZGOOXCGLL-UHFFFAOYSA-N 2 2 320.443 4.353 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000547395568 341210729 /nfs/dbraw/zinc/21/07/29/341210729.db2.gz SUKZVGDESYROGT-YPMHNXCESA-N 2 2 313.272 4.055 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000547395568 341210730 /nfs/dbraw/zinc/21/07/30/341210730.db2.gz SUKZVGDESYROGT-YPMHNXCESA-N 2 2 313.272 4.055 20 0 DIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCCCC2)s1 ZINC000547405694 341211504 /nfs/dbraw/zinc/21/15/04/341211504.db2.gz OEBBUQAXIPCPLD-UHFFFAOYSA-N 2 2 321.534 4.109 20 0 DIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCCCC2)s1 ZINC000547405694 341211505 /nfs/dbraw/zinc/21/15/05/341211505.db2.gz OEBBUQAXIPCPLD-UHFFFAOYSA-N 2 2 321.534 4.109 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000550623143 341319723 /nfs/dbraw/zinc/31/97/23/341319723.db2.gz SUGPLNSAGZXSNZ-HNNXBMFYSA-N 2 2 311.404 4.306 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000550624265 341319842 /nfs/dbraw/zinc/31/98/42/341319842.db2.gz MDWRYVZOWGUZGT-UYAOXDASSA-N 2 2 320.436 4.358 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000550624265 341319843 /nfs/dbraw/zinc/31/98/43/341319843.db2.gz MDWRYVZOWGUZGT-UYAOXDASSA-N 2 2 320.436 4.358 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)CCCC2 ZINC000551564329 341345635 /nfs/dbraw/zinc/34/56/35/341345635.db2.gz NKCPZHIUJUEEQQ-OALUTQOASA-N 2 2 309.457 4.035 20 0 DIADLP C[C@@H](CCC(C)(C)C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000551792172 341351888 /nfs/dbraw/zinc/35/18/88/341351888.db2.gz CLAPXCPEQQCYHF-KRWDZBQOSA-N 2 2 313.489 4.278 20 0 DIADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000552073602 341367788 /nfs/dbraw/zinc/36/77/88/341367788.db2.gz KLNLVGYVKKOPBK-CQSZACIVSA-N 2 2 318.848 4.004 20 0 DIADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000552073602 341367789 /nfs/dbraw/zinc/36/77/89/341367789.db2.gz KLNLVGYVKKOPBK-CQSZACIVSA-N 2 2 318.848 4.004 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248033588 341372376 /nfs/dbraw/zinc/37/23/76/341372376.db2.gz RACQIHAENRGSAX-HBFSDRIKSA-N 2 2 317.521 4.098 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248033588 341372377 /nfs/dbraw/zinc/37/23/77/341372377.db2.gz RACQIHAENRGSAX-HBFSDRIKSA-N 2 2 317.521 4.098 20 0 DIADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000248199137 341374714 /nfs/dbraw/zinc/37/47/14/341374714.db2.gz YBBDMETXOAIYFX-QGPMSJSTSA-N 2 2 315.486 4.197 20 0 DIADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000552369936 341389584 /nfs/dbraw/zinc/38/95/84/341389584.db2.gz LRPFLFFSMVJQBI-MBOZVWFJSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)[C@@H](C)c1ccccc1 ZINC000090050813 341412957 /nfs/dbraw/zinc/41/29/57/341412957.db2.gz ATEWHMSGZCVVET-SJORKVTESA-N 2 2 321.468 4.288 20 0 DIADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000152921370 341511886 /nfs/dbraw/zinc/51/18/86/341511886.db2.gz ZHRPBPARXPEANP-LPHOPBHVSA-N 2 2 321.468 4.197 20 0 DIADLP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000567654141 341624625 /nfs/dbraw/zinc/62/46/25/341624625.db2.gz WCURRIGERVXZGN-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000315112276 341654988 /nfs/dbraw/zinc/65/49/88/341654988.db2.gz LPSUWGBVVJJNLB-ZDUSSCGKSA-N 2 2 311.351 4.033 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000572886656 341707994 /nfs/dbraw/zinc/70/79/94/341707994.db2.gz YWWJBTMJQWWLEP-SFHVURJKSA-N 2 2 300.833 4.253 20 0 DIADLP CCCC[C@@H](CCC)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000166366012 341718849 /nfs/dbraw/zinc/71/88/49/341718849.db2.gz WRFPZMMTSFUYES-GOSISDBHSA-N 2 2 317.521 4.242 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@@H](c2ccccc2)C1 ZINC000573945679 341743977 /nfs/dbraw/zinc/74/39/77/341743977.db2.gz KNYKIKWRMUEFGH-WDSOQIARSA-N 2 2 323.484 4.281 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000574844644 341770590 /nfs/dbraw/zinc/77/05/90/341770590.db2.gz QEUGVBNKJAOIJP-PZJWPPBQSA-N 2 2 308.469 4.324 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000537853552 517866375 /nfs/dbraw/zinc/86/63/75/517866375.db2.gz ONXDHLQUCBHYGP-UHFFFAOYSA-N 2 2 319.452 4.436 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000156140946 519248870 /nfs/dbraw/zinc/24/88/70/519248870.db2.gz MXRWGSOZXBDBHZ-LJQANCHMSA-N 2 2 322.456 4.268 20 0 DIADLP CC(C)CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccoc1 ZINC000367618724 519692309 /nfs/dbraw/zinc/69/23/09/519692309.db2.gz UHGFXYYNVZIEIO-KRWDZBQOSA-N 2 2 301.434 4.080 20 0 DIADLP CC[C@H](Nc1ccc([N@H+](CC)C(C)C)cc1)c1[nH+]ccn1C ZINC000182773750 522767603 /nfs/dbraw/zinc/76/76/03/522767603.db2.gz WXCZQLGNNPUKEW-KRWDZBQOSA-N 2 2 300.450 4.218 20 0 DIADLP CC[C@H](Nc1ccc([N@@H+](CC)C(C)C)cc1)c1[nH+]ccn1C ZINC000182773750 522767615 /nfs/dbraw/zinc/76/76/15/522767615.db2.gz WXCZQLGNNPUKEW-KRWDZBQOSA-N 2 2 300.450 4.218 20 0 DIADLP CC[C@@H](Nc1ccc([N@H+](CC)C(C)C)cc1)c1[nH+]ccn1C ZINC000182773769 522958629 /nfs/dbraw/zinc/95/86/29/522958629.db2.gz WXCZQLGNNPUKEW-QGZVFWFLSA-N 2 2 300.450 4.218 20 0 DIADLP CC[C@@H](Nc1ccc([N@@H+](CC)C(C)C)cc1)c1[nH+]ccn1C ZINC000182773769 522958637 /nfs/dbraw/zinc/95/86/37/522958637.db2.gz WXCZQLGNNPUKEW-QGZVFWFLSA-N 2 2 300.450 4.218 20 0 DIADLP C[NH+]1CCC([NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)CC1 ZINC000237073829 523778587 /nfs/dbraw/zinc/77/85/87/523778587.db2.gz PCQYVMYCXRUFLN-OAQYLSRUSA-N 2 2 320.436 4.206 20 0 DIADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000226332642 524860832 /nfs/dbraw/zinc/86/08/32/524860832.db2.gz XKQZWPFARJYQJK-SRVKXCTJSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000226332642 524860837 /nfs/dbraw/zinc/86/08/37/524860837.db2.gz XKQZWPFARJYQJK-SRVKXCTJSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000181426025 525402088 /nfs/dbraw/zinc/40/20/88/525402088.db2.gz WVJGPKCLWVCREC-GFCCVEGCSA-N 2 2 318.848 4.364 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000190942319 525680661 /nfs/dbraw/zinc/68/06/61/525680661.db2.gz WRCFYWTZFISDKO-KDOFPFPSSA-N 2 2 307.397 4.194 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191772 525685028 /nfs/dbraw/zinc/68/50/28/525685028.db2.gz KEFNHAKEMFWBBT-KWCYVHTRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191772 525685032 /nfs/dbraw/zinc/68/50/32/525685032.db2.gz KEFNHAKEMFWBBT-KWCYVHTRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1c1ccccc1 ZINC000339448856 525847519 /nfs/dbraw/zinc/84/75/19/525847519.db2.gz KIMKTKIDKIANOU-OALUTQOASA-N 2 2 323.465 4.217 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](c1ccccc1)C(C)C)CCC2 ZINC000354479118 525935686 /nfs/dbraw/zinc/93/56/86/525935686.db2.gz ORBIFPHWPGXYJH-MOPGFXCFSA-N 2 2 311.473 4.098 20 0 DIADLP c1ccc(NCCCC[NH2+][C@@H]2CCSc3ccccc32)[nH+]c1 ZINC000162851195 526480929 /nfs/dbraw/zinc/48/09/29/526480929.db2.gz ORLSFZKQIWNSET-MRXNPFEDSA-N 2 2 313.470 4.100 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001204111113 1049085232 /nfs/dbraw/zinc/08/52/32/1049085232.db2.gz OOPFJFADYVJCTJ-NSHDSACASA-N 2 2 321.267 4.343 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(Cl)c1F ZINC000683224566 1035781680 /nfs/dbraw/zinc/78/16/80/1035781680.db2.gz LVCSQUNJAQCHMI-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000683224566 1035781698 /nfs/dbraw/zinc/78/16/98/1035781698.db2.gz LVCSQUNJAQCHMI-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000037158363 1035956446 /nfs/dbraw/zinc/95/64/46/1035956446.db2.gz BXMJOYYECRCERD-XHDPSFHLSA-N 2 2 312.244 4.319 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)cc(Cl)cc1C)CCC2 ZINC000339790322 1035962570 /nfs/dbraw/zinc/96/25/70/1035962570.db2.gz RLAUNKPJZCGEFU-OAHLLOKOSA-N 2 2 317.864 4.129 20 0 DIADLP Cc1cc2cc(C[NH+]3CCC([NH2+]C(C)C)CC3)oc2cc1C ZINC000179835795 1035979782 /nfs/dbraw/zinc/97/97/82/1035979782.db2.gz AWKLXLPRPKWRLN-UHFFFAOYSA-N 2 2 300.446 4.012 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000179837140 1035981526 /nfs/dbraw/zinc/98/15/26/1035981526.db2.gz POOFYILNTYOUIL-UHFFFAOYSA-N 2 2 314.498 4.378 20 0 DIADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000037320204 1036022806 /nfs/dbraw/zinc/02/28/06/1036022806.db2.gz IPBGKSIGEIWJPN-ABAIWWIYSA-N 2 2 312.244 4.319 20 0 DIADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000180028869 1036027488 /nfs/dbraw/zinc/02/74/88/1036027488.db2.gz JMVQBPRTCZGLOO-JOCHJYFZSA-N 2 2 320.480 4.301 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000322974979 1036098264 /nfs/dbraw/zinc/09/82/64/1036098264.db2.gz ZNEIHFUMWJMAKS-WMZOPIPTSA-N 2 2 310.441 4.051 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000322974979 1036098283 /nfs/dbraw/zinc/09/82/83/1036098283.db2.gz ZNEIHFUMWJMAKS-WMZOPIPTSA-N 2 2 310.441 4.051 20 0 DIADLP c1cn(-c2ccc(C[NH2+]CC3(c4ccccc4)CCC3)cc2)c[nH+]1 ZINC000340390611 1036412272 /nfs/dbraw/zinc/41/22/72/1036412272.db2.gz RDJSIENEDHVBTL-UHFFFAOYSA-N 2 2 317.436 4.084 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225878392 1036434666 /nfs/dbraw/zinc/43/46/66/1036434666.db2.gz TYOBUYRYXKJMRR-MRRJBJDNSA-N 2 2 310.844 4.004 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225878392 1036434673 /nfs/dbraw/zinc/43/46/73/1036434673.db2.gz TYOBUYRYXKJMRR-MRRJBJDNSA-N 2 2 310.844 4.004 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)o1 ZINC000340414167 1036537394 /nfs/dbraw/zinc/53/73/94/1036537394.db2.gz AIBZTKICDUTBLZ-CYBMUJFWSA-N 2 2 313.376 4.072 20 0 DIADLP c1cn(CCCC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000683785402 1036922780 /nfs/dbraw/zinc/92/27/80/1036922780.db2.gz RAKCHCZTQFBYPD-HXUWFJFHSA-N 2 2 309.457 4.063 20 0 DIADLP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)s1 ZINC000312755510 1037015477 /nfs/dbraw/zinc/01/54/77/1037015477.db2.gz BXMWQGNUQZWSIL-GRYCIOLGSA-N 2 2 319.301 4.065 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C/C(Cl)=C\Cl)cc1 ZINC000588420572 1037828630 /nfs/dbraw/zinc/82/86/30/1037828630.db2.gz OEQCWORAGRIVJE-LUHPIMIVSA-N 2 2 310.228 4.150 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489820851 1038227360 /nfs/dbraw/zinc/22/73/60/1038227360.db2.gz WDLYQGGWBPZPPF-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489820851 1038227385 /nfs/dbraw/zinc/22/73/85/1038227385.db2.gz WDLYQGGWBPZPPF-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000489820851 1038227399 /nfs/dbraw/zinc/22/73/99/1038227399.db2.gz WDLYQGGWBPZPPF-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000489820851 1038227414 /nfs/dbraw/zinc/22/74/14/1038227414.db2.gz WDLYQGGWBPZPPF-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)oc1C ZINC000669700306 1038289624 /nfs/dbraw/zinc/28/96/24/1038289624.db2.gz PODVFGVDZMJWCA-CRAIPNDOSA-N 2 2 323.440 4.265 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000604418122 1038413877 /nfs/dbraw/zinc/41/38/77/1038413877.db2.gz HPJNELWMONGSIE-SFQUDFHCSA-N 2 2 303.409 4.065 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000151345318 1038437454 /nfs/dbraw/zinc/43/74/54/1038437454.db2.gz VGWGVJXWQUKGRZ-OAQYLSRUSA-N 2 2 317.436 4.017 20 0 DIADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000605594703 1038538541 /nfs/dbraw/zinc/53/85/41/1038538541.db2.gz DXXFRVPCOUYSDB-QGZVFWFLSA-N 2 2 318.530 4.089 20 0 DIADLP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152095797 1038568295 /nfs/dbraw/zinc/56/82/95/1038568295.db2.gz NOZLLLSBRDJQOB-OAQYLSRUSA-N 2 2 317.436 4.017 20 0 DIADLP c1csc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)cc2)c1 ZINC000657323516 1038568397 /nfs/dbraw/zinc/56/83/97/1038568397.db2.gz GFCVTTWDMYKFEQ-UHFFFAOYSA-N 2 2 311.454 4.182 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)c[nH+]1 ZINC000152118224 1038573671 /nfs/dbraw/zinc/57/36/71/1038573671.db2.gz TVHPKQOHUHYARQ-OAQYLSRUSA-N 2 2 317.436 4.099 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)ccc1F ZINC000152222239 1038592979 /nfs/dbraw/zinc/59/29/79/1038592979.db2.gz ZXCSAHCUVPYWSI-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC000152229464 1038595314 /nfs/dbraw/zinc/59/53/14/1038595314.db2.gz HUWONQICXSSOBB-MRXNPFEDSA-N 2 2 317.436 4.212 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000342445628 1038608490 /nfs/dbraw/zinc/60/84/90/1038608490.db2.gz ITQAAGCNPRRYAY-CYBMUJFWSA-N 2 2 303.837 4.071 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000342445628 1038608494 /nfs/dbraw/zinc/60/84/94/1038608494.db2.gz ITQAAGCNPRRYAY-CYBMUJFWSA-N 2 2 303.837 4.071 20 0 DIADLP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000608065663 1038763922 /nfs/dbraw/zinc/76/39/22/1038763922.db2.gz FHXJFGALECMVKL-YOEHRIQHSA-N 2 2 301.409 4.070 20 0 DIADLP Cc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000608070438 1038764229 /nfs/dbraw/zinc/76/42/29/1038764229.db2.gz HDBGAEIUDGWCBR-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608073120 1038765976 /nfs/dbraw/zinc/76/59/76/1038765976.db2.gz NKMDKRWYZSRIKV-HXUWFJFHSA-N 2 2 319.452 4.111 20 0 DIADLP C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000078395104 1038944974 /nfs/dbraw/zinc/94/49/74/1038944974.db2.gz AOIJVIFDXAUOFV-OAHLLOKOSA-N 2 2 309.388 4.204 20 0 DIADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000078395104 1038944987 /nfs/dbraw/zinc/94/49/87/1038944987.db2.gz AOIJVIFDXAUOFV-OAHLLOKOSA-N 2 2 309.388 4.204 20 0 DIADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1cc2ccccc2o1 ZINC000539413609 1039254245 /nfs/dbraw/zinc/25/42/45/1039254245.db2.gz PAWZUYNAMUSUMD-MRXNPFEDSA-N 2 2 311.429 4.493 20 0 DIADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1cc2ccccc2o1 ZINC000539413609 1039254256 /nfs/dbraw/zinc/25/42/56/1039254256.db2.gz PAWZUYNAMUSUMD-MRXNPFEDSA-N 2 2 311.429 4.493 20 0 DIADLP CC[C@@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000539493766 1039269230 /nfs/dbraw/zinc/26/92/30/1039269230.db2.gz PUYAPBZMEJHZEW-PBHICJAKSA-N 2 2 305.853 4.304 20 0 DIADLP C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539656597 1039311743 /nfs/dbraw/zinc/31/17/43/1039311743.db2.gz DFUBXTYHVYGKES-HNNXBMFYSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000539818136 1039348000 /nfs/dbraw/zinc/34/80/00/1039348000.db2.gz RAKSMCHQYZVOPT-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000539818136 1039348018 /nfs/dbraw/zinc/34/80/18/1039348018.db2.gz RAKSMCHQYZVOPT-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818136 1039348035 /nfs/dbraw/zinc/34/80/35/1039348035.db2.gz RAKSMCHQYZVOPT-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818136 1039348050 /nfs/dbraw/zinc/34/80/50/1039348050.db2.gz RAKSMCHQYZVOPT-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900233 1039385412 /nfs/dbraw/zinc/38/54/12/1039385412.db2.gz OOTNQRYRKVKIQD-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900233 1039385421 /nfs/dbraw/zinc/38/54/21/1039385421.db2.gz OOTNQRYRKVKIQD-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000539900233 1039385433 /nfs/dbraw/zinc/38/54/33/1039385433.db2.gz OOTNQRYRKVKIQD-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000539900233 1039385440 /nfs/dbraw/zinc/38/54/40/1039385440.db2.gz OOTNQRYRKVKIQD-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000540286770 1039466512 /nfs/dbraw/zinc/46/65/12/1039466512.db2.gz NJBHFADDWURZGI-KFWWJZLASA-N 2 2 315.486 4.138 20 0 DIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000151153244 1039467431 /nfs/dbraw/zinc/46/74/31/1039467431.db2.gz YREXDIGKOJWWJV-OAHLLOKOSA-N 2 2 323.893 4.087 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151359661 1039549798 /nfs/dbraw/zinc/54/97/98/1039549798.db2.gz FYBLYSOSNONLBQ-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP CCOC1CCC([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000657818659 1039556457 /nfs/dbraw/zinc/55/64/57/1039556457.db2.gz SUXZFBZPMLSZTN-SOAGJPPSSA-N 2 2 318.505 4.007 20 0 DIADLP C[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000541202812 1039631616 /nfs/dbraw/zinc/63/16/16/1039631616.db2.gz MAUZHKLZRZOSEP-GOSISDBHSA-N 2 2 311.473 4.179 20 0 DIADLP C[C@H](c1ccccc1F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203220 1039635154 /nfs/dbraw/zinc/63/51/54/1039635154.db2.gz XGTQYTNPMDFSHQ-MRXNPFEDSA-N 2 2 315.436 4.276 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973119 1039693777 /nfs/dbraw/zinc/69/37/77/1039693777.db2.gz YDMKYCVTSCZJSI-YPMHNXCESA-N 2 2 307.800 4.143 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973119 1039693785 /nfs/dbraw/zinc/69/37/85/1039693785.db2.gz YDMKYCVTSCZJSI-YPMHNXCESA-N 2 2 307.800 4.143 20 0 DIADLP C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089613664 1039777828 /nfs/dbraw/zinc/77/78/28/1039777828.db2.gz FPCQGVIXVTUKBI-VWKPWSFCSA-N 2 2 317.436 4.456 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667692 1039816671 /nfs/dbraw/zinc/81/66/71/1039816671.db2.gz XUTGCUQEUWYAEO-ROUUACIJSA-N 2 2 315.505 4.332 20 0 DIADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151685454 1039857098 /nfs/dbraw/zinc/85/70/98/1039857098.db2.gz SLWUBXBROUAWAC-HOTGVXAUSA-N 2 2 309.413 4.137 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071548 1039865607 /nfs/dbraw/zinc/86/56/07/1039865607.db2.gz JJODKGYEFCJLFA-CQSZACIVSA-N 2 2 303.837 4.060 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071548 1039865635 /nfs/dbraw/zinc/86/56/35/1039865635.db2.gz JJODKGYEFCJLFA-CQSZACIVSA-N 2 2 303.837 4.060 20 0 DIADLP COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000101544026 1040227347 /nfs/dbraw/zinc/22/73/47/1040227347.db2.gz SAUNJAVYPWJNFV-MRXNPFEDSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000101544026 1040227363 /nfs/dbraw/zinc/22/73/63/1040227363.db2.gz SAUNJAVYPWJNFV-MRXNPFEDSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccc([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000101544025 1040227454 /nfs/dbraw/zinc/22/74/54/1040227454.db2.gz SAUNJAVYPWJNFV-INIZCTEOSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000101544025 1040227469 /nfs/dbraw/zinc/22/74/69/1040227469.db2.gz SAUNJAVYPWJNFV-INIZCTEOSA-N 2 2 321.424 4.074 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000236704459 1040649205 /nfs/dbraw/zinc/64/92/05/1040649205.db2.gz DPYVZPFWLWVBCL-AQTBWJFISA-N 2 2 317.436 4.125 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccccc2)c1 ZINC000570368708 1040702663 /nfs/dbraw/zinc/70/26/63/1040702663.db2.gz IFVSOPXOZKHQMW-BEFAXECRSA-N 2 2 317.436 4.285 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccc2ccccc21 ZINC000810211923 1041349673 /nfs/dbraw/zinc/34/96/73/1041349673.db2.gz XWPHKPIRCIWDNK-QAPCUYQASA-N 2 2 322.456 4.197 20 0 DIADLP CC[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000179992096 1041521479 /nfs/dbraw/zinc/52/14/79/1041521479.db2.gz MISFGMBYGAZZIB-IBGZPJMESA-N 2 2 303.494 4.064 20 0 DIADLP Clc1cccc(SCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660077351 1041603470 /nfs/dbraw/zinc/60/34/70/1041603470.db2.gz NZSCBUNJNWIZMR-ZDUSSCGKSA-N 2 2 321.877 4.035 20 0 DIADLP Clc1cccc(SCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660077351 1041603473 /nfs/dbraw/zinc/60/34/73/1041603473.db2.gz NZSCBUNJNWIZMR-ZDUSSCGKSA-N 2 2 321.877 4.035 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311204 1041656874 /nfs/dbraw/zinc/65/68/74/1041656874.db2.gz LMHUKXXEDSWQSK-JCGIZDLHSA-N 2 2 323.465 4.216 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311201 1041656893 /nfs/dbraw/zinc/65/68/93/1041656893.db2.gz LMHUKXXEDSWQSK-FHLIZLRMSA-N 2 2 323.465 4.216 20 0 DIADLP C[N@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001170747083 1041819532 /nfs/dbraw/zinc/81/95/32/1041819532.db2.gz QZQBGWWMYNYJGW-ACDBMABISA-N 2 2 312.501 4.017 20 0 DIADLP C[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001170747083 1041819543 /nfs/dbraw/zinc/81/95/43/1041819543.db2.gz QZQBGWWMYNYJGW-ACDBMABISA-N 2 2 312.501 4.017 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-c2ccccc2)cn1 ZINC000651822760 1041924485 /nfs/dbraw/zinc/92/44/85/1041924485.db2.gz JOWDYXSRDXVFEY-FAXKSRBJSA-N 2 2 321.468 4.024 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-c2ccccc2)cn1 ZINC000651822760 1041924490 /nfs/dbraw/zinc/92/44/90/1041924490.db2.gz JOWDYXSRDXVFEY-FAXKSRBJSA-N 2 2 321.468 4.024 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000815563259 1041964122 /nfs/dbraw/zinc/96/41/22/1041964122.db2.gz XNRKKPLWZCPZIC-YOEHRIQHSA-N 2 2 303.425 4.096 20 0 DIADLP c1ccc(NCCC[NH2+][C@H](c2cccnc2)C2CCCCC2)[nH+]c1 ZINC000652158597 1041969984 /nfs/dbraw/zinc/96/99/84/1041969984.db2.gz GGEUVEAYODSEQT-FQEVSTJZSA-N 2 2 324.472 4.190 20 0 DIADLP CC1(C)C[C@@]1([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000663337653 1042124548 /nfs/dbraw/zinc/12/45/48/1042124548.db2.gz CQQJFFXXXBDXOM-LJQANCHMSA-N 2 2 323.465 4.349 20 0 DIADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000817955306 1042131697 /nfs/dbraw/zinc/13/16/97/1042131697.db2.gz VJQMSFRAFQWRRM-SUMWQHHRSA-N 2 2 318.848 4.008 20 0 DIADLP Clc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000069878379 1042149911 /nfs/dbraw/zinc/14/99/11/1042149911.db2.gz MTHIOEIJVYUIOD-UHFFFAOYSA-N 2 2 323.827 4.305 20 0 DIADLP CCCC[C@H](CC(C)C)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246188298 1042289874 /nfs/dbraw/zinc/28/98/74/1042289874.db2.gz DZBCKLIOJUTSKT-HUUCEWRRSA-N 2 2 308.432 4.111 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)s1 ZINC000162840573 1042299118 /nfs/dbraw/zinc/29/91/18/1042299118.db2.gz OJNOXKGFKKAJKP-AWEZNQCLSA-N 2 2 303.475 4.303 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000822812802 1042301648 /nfs/dbraw/zinc/30/16/48/1042301648.db2.gz NAFRNEGTVYGSIF-GXTWGEPZSA-N 2 2 324.255 4.107 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000152216581 1042432577 /nfs/dbraw/zinc/43/25/77/1042432577.db2.gz STXKYOGVYHETNC-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1C ZINC000152224604 1042434485 /nfs/dbraw/zinc/43/44/85/1042434485.db2.gz DTZNEXGNZSRMFP-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C ZINC000152234699 1042435869 /nfs/dbraw/zinc/43/58/69/1042435869.db2.gz QGUMGWZXOXDKFI-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000261758783 1042490280 /nfs/dbraw/zinc/49/02/80/1042490280.db2.gz CSGFWSOABMXBBA-AWEZNQCLSA-N 2 2 317.502 4.157 20 0 DIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261758783 1042490282 /nfs/dbraw/zinc/49/02/82/1042490282.db2.gz CSGFWSOABMXBBA-AWEZNQCLSA-N 2 2 317.502 4.157 20 0 DIADLP C[NH2+]CCC[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000420410800 1042600626 /nfs/dbraw/zinc/60/06/26/1042600626.db2.gz RLCQWJGDHOZFDB-LLVKDONJSA-N 2 2 323.893 4.032 20 0 DIADLP c1cn(-c2ccccc2C[NH2+]Cc2cccc(C3CC3)c2)c[nH+]1 ZINC000421323959 1042629680 /nfs/dbraw/zinc/62/96/80/1042629680.db2.gz IYZBGGIVJWXGIP-UHFFFAOYSA-N 2 2 303.409 4.040 20 0 DIADLP c1cn(Cc2cccc(C[NH2+]C3CC4(C3)CCCCC4)c2)c[nH+]1 ZINC000421331677 1042630817 /nfs/dbraw/zinc/63/08/17/1042630817.db2.gz KJEQANHDQOGJCD-UHFFFAOYSA-N 2 2 309.457 4.134 20 0 DIADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000421832213 1042654281 /nfs/dbraw/zinc/65/42/81/1042654281.db2.gz FORWVGIAINSSED-CYBMUJFWSA-N 2 2 324.896 4.262 20 0 DIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000421832214 1042654378 /nfs/dbraw/zinc/65/43/78/1042654378.db2.gz FORWVGIAINSSED-ZDUSSCGKSA-N 2 2 324.896 4.262 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000271865917 1042671280 /nfs/dbraw/zinc/67/12/80/1042671280.db2.gz LKIYDRINXQXJPP-RYUDHWBXSA-N 2 2 303.793 4.022 20 0 DIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422908058 1042692101 /nfs/dbraw/zinc/69/21/01/1042692101.db2.gz XVQCZNKSMGMKML-SJORKVTESA-N 2 2 310.372 4.115 20 0 DIADLP CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)c1cccnc1 ZINC000423241276 1042702280 /nfs/dbraw/zinc/70/22/80/1042702280.db2.gz LFUTWICKEDUHOW-VQTJNVASSA-N 2 2 311.473 4.336 20 0 DIADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000423246158 1042703296 /nfs/dbraw/zinc/70/32/96/1042703296.db2.gz PNTDIHPEZYFCKZ-PXAZEXFGSA-N 2 2 317.502 4.234 20 0 DIADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423246709 1042703587 /nfs/dbraw/zinc/70/35/87/1042703587.db2.gz PUIZBMRHOYYBRO-SJORKVTESA-N 2 2 320.383 4.029 20 0 DIADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423314214 1042705907 /nfs/dbraw/zinc/70/59/07/1042705907.db2.gz VNKGCUTZRYWQBR-MRXNPFEDSA-N 2 2 312.457 4.012 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1F ZINC000519038189 1042930683 /nfs/dbraw/zinc/93/06/83/1042930683.db2.gz ZAQWWZRPIZMVFR-SJCJKPOMSA-N 2 2 321.827 4.046 20 0 DIADLP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000608065660 1042977279 /nfs/dbraw/zinc/97/72/79/1042977279.db2.gz FHXJFGALECMVKL-PBHICJAKSA-N 2 2 301.409 4.070 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(F)c1F ZINC000183265199 1043159036 /nfs/dbraw/zinc/15/90/36/1043159036.db2.gz FSAGIHCDZVAEPN-GFCCVEGCSA-N 2 2 322.374 4.016 20 0 DIADLP Clc1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003222 1043220826 /nfs/dbraw/zinc/22/08/26/1043220826.db2.gz KZAUOUXSFNWLLR-SJPCQFCGSA-N 2 2 316.876 4.061 20 0 DIADLP Clc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003222 1043220839 /nfs/dbraw/zinc/22/08/39/1043220839.db2.gz KZAUOUXSFNWLLR-SJPCQFCGSA-N 2 2 316.876 4.061 20 0 DIADLP Clc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003222 1043220854 /nfs/dbraw/zinc/22/08/54/1043220854.db2.gz KZAUOUXSFNWLLR-SJPCQFCGSA-N 2 2 316.876 4.061 20 0 DIADLP Clc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003222 1043220868 /nfs/dbraw/zinc/22/08/68/1043220868.db2.gz KZAUOUXSFNWLLR-SJPCQFCGSA-N 2 2 316.876 4.061 20 0 DIADLP C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353959315 1043294980 /nfs/dbraw/zinc/29/49/80/1043294980.db2.gz UCRZZFDUHZGJQI-ZDUSSCGKSA-N 2 2 323.362 4.256 20 0 DIADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427848971 1043308212 /nfs/dbraw/zinc/30/82/12/1043308212.db2.gz YKFXZKVCYMXQEY-SWLSCSKDSA-N 2 2 324.255 4.246 20 0 DIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCc3c4ccccc4sc31)CC2 ZINC000427882318 1043313317 /nfs/dbraw/zinc/31/33/17/1043313317.db2.gz AJWKIHLOXNBBMP-BBRMVZONSA-N 2 2 323.465 4.080 20 0 DIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCc3c4ccccc4sc31)CC2 ZINC000427882319 1043313384 /nfs/dbraw/zinc/31/33/84/1043313384.db2.gz AJWKIHLOXNBBMP-CJNGLKHVSA-N 2 2 323.465 4.080 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012140 1043338227 /nfs/dbraw/zinc/33/82/27/1043338227.db2.gz WVBVYRMJTXFICE-AJYBTWMASA-N 2 2 323.484 4.174 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012140 1043338239 /nfs/dbraw/zinc/33/82/39/1043338239.db2.gz WVBVYRMJTXFICE-AJYBTWMASA-N 2 2 323.484 4.174 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000442640316 1043398114 /nfs/dbraw/zinc/39/81/14/1043398114.db2.gz ASZOIIMYWBUAGG-ABHNRTSZSA-N 2 2 324.459 4.483 20 0 DIADLP Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000349976987 1043534655 /nfs/dbraw/zinc/53/46/55/1043534655.db2.gz YJVWZWMEWHPURH-HXUWFJFHSA-N 2 2 321.399 4.349 20 0 DIADLP Fc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000349976987 1043534661 /nfs/dbraw/zinc/53/46/61/1043534661.db2.gz YJVWZWMEWHPURH-HXUWFJFHSA-N 2 2 321.399 4.349 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000717988892 1043540286 /nfs/dbraw/zinc/54/02/86/1043540286.db2.gz RXZXYYFAGPCCGJ-LSTHTHJFSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000717988892 1043540293 /nfs/dbraw/zinc/54/02/93/1043540293.db2.gz RXZXYYFAGPCCGJ-LSTHTHJFSA-N 2 2 300.490 4.065 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000323941452 1043603308 /nfs/dbraw/zinc/60/33/08/1043603308.db2.gz JYPSZYDCERNURN-OAQYLSRUSA-N 2 2 319.452 4.269 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(C)c1 ZINC000353434582 1043606564 /nfs/dbraw/zinc/60/65/64/1043606564.db2.gz JZAMIZBAQLHJQK-OAQYLSRUSA-N 2 2 319.452 4.481 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccs1 ZINC000353593642 1043621967 /nfs/dbraw/zinc/62/19/67/1043621967.db2.gz DFGZHXPOWJHSRA-KRWDZBQOSA-N 2 2 311.454 4.234 20 0 DIADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000353619339 1043625407 /nfs/dbraw/zinc/62/54/07/1043625407.db2.gz HBYCPRRLGDDCDX-GJZGRUSLSA-N 2 2 303.837 4.051 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccoc1 ZINC001168024385 1043644667 /nfs/dbraw/zinc/64/46/67/1043644667.db2.gz FVSLNLUALBCHAL-AXVVYFOYSA-N 2 2 312.457 4.372 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccoc1 ZINC001168024385 1043644676 /nfs/dbraw/zinc/64/46/76/1043644676.db2.gz FVSLNLUALBCHAL-AXVVYFOYSA-N 2 2 312.457 4.372 20 0 DIADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000354025232 1043673582 /nfs/dbraw/zinc/67/35/82/1043673582.db2.gz AJNFERFMVSDTQR-UZLBHIALSA-N 2 2 303.409 4.065 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000354025232 1043673592 /nfs/dbraw/zinc/67/35/92/1043673592.db2.gz AJNFERFMVSDTQR-UZLBHIALSA-N 2 2 303.409 4.065 20 0 DIADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000354025231 1043674040 /nfs/dbraw/zinc/67/40/40/1043674040.db2.gz AJNFERFMVSDTQR-OXQOHEQNSA-N 2 2 303.409 4.065 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000354025231 1043674047 /nfs/dbraw/zinc/67/40/47/1043674047.db2.gz AJNFERFMVSDTQR-OXQOHEQNSA-N 2 2 303.409 4.065 20 0 DIADLP CC[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000777696638 1043763489 /nfs/dbraw/zinc/76/34/89/1043763489.db2.gz SKUBSZKTLNXWES-HXUWFJFHSA-N 2 2 315.505 4.065 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000355594297 1043778989 /nfs/dbraw/zinc/77/89/89/1043778989.db2.gz DSWCVGQODCHSAB-CQSZACIVSA-N 2 2 303.837 4.005 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000355594297 1043778998 /nfs/dbraw/zinc/77/89/98/1043778998.db2.gz DSWCVGQODCHSAB-CQSZACIVSA-N 2 2 303.837 4.005 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132458 1043815860 /nfs/dbraw/zinc/81/58/60/1043815860.db2.gz HVAUOIXPZFPYHC-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132458 1043815887 /nfs/dbraw/zinc/81/58/87/1043815887.db2.gz HVAUOIXPZFPYHC-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132458 1043815910 /nfs/dbraw/zinc/81/59/10/1043815910.db2.gz HVAUOIXPZFPYHC-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132458 1043815928 /nfs/dbraw/zinc/81/59/28/1043815928.db2.gz HVAUOIXPZFPYHC-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)[C@H](C[NH2+]CCCCNc1cccc[nH+]1)c1ccccc1 ZINC000474740614 1043905237 /nfs/dbraw/zinc/90/52/37/1043905237.db2.gz YWRDDAFQOPKNLT-IBGZPJMESA-N 2 2 311.473 4.303 20 0 DIADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000290009380 1043910275 /nfs/dbraw/zinc/91/02/75/1043910275.db2.gz LTVARDUFGDUTEK-MRXNPFEDSA-N 2 2 324.255 4.107 20 0 DIADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000290009380 1043910282 /nfs/dbraw/zinc/91/02/82/1043910282.db2.gz LTVARDUFGDUTEK-MRXNPFEDSA-N 2 2 324.255 4.107 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000474795395 1043918292 /nfs/dbraw/zinc/91/82/92/1043918292.db2.gz IKLUDZZQAIIRMX-IAGOWNOFSA-N 2 2 324.553 4.070 20 0 DIADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000179315161 1043957946 /nfs/dbraw/zinc/95/79/46/1043957946.db2.gz BTLIAHNAVCTTHH-CYBMUJFWSA-N 2 2 323.362 4.128 20 0 DIADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000179315161 1043957956 /nfs/dbraw/zinc/95/79/56/1043957956.db2.gz BTLIAHNAVCTTHH-CYBMUJFWSA-N 2 2 323.362 4.128 20 0 DIADLP CC(C)Sc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000358044225 1044013179 /nfs/dbraw/zinc/01/31/79/1044013179.db2.gz FBBYJZRFOVFZRS-UHFFFAOYSA-N 2 2 315.486 4.290 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880572127 1044048881 /nfs/dbraw/zinc/04/88/81/1044048881.db2.gz XAAFOMOEACDZAS-FQEVSTJZSA-N 2 2 305.425 4.031 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000883194644 1044232274 /nfs/dbraw/zinc/23/22/74/1044232274.db2.gz ZRTPSXDHMTXASZ-ROUUACIJSA-N 2 2 309.457 4.016 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC(C)(C)c3ccccc31)CCC2 ZINC000360645775 1044293298 /nfs/dbraw/zinc/29/32/98/1044293298.db2.gz FRSDJBUTUCCLJY-VQIMIIECSA-N 2 2 323.484 4.471 20 0 DIADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387561 1044299405 /nfs/dbraw/zinc/29/94/05/1044299405.db2.gz ZQHVKWJLBROTFP-VQTJNVASSA-N 2 2 321.399 4.041 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386277 1044300596 /nfs/dbraw/zinc/30/05/96/1044300596.db2.gz CSAHYHFJBLPUMC-PXNSSMCTSA-N 2 2 305.425 4.284 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386355 1044300657 /nfs/dbraw/zinc/30/06/57/1044300657.db2.gz DQOAZZZRAHKSAF-WBVHZDCISA-N 2 2 311.454 4.345 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386914 1044300709 /nfs/dbraw/zinc/30/07/09/1044300709.db2.gz OPDYEOKTOWHRAK-PXNSSMCTSA-N 2 2 305.425 4.284 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000883386160 1044300737 /nfs/dbraw/zinc/30/07/37/1044300737.db2.gz ASIKYTDOEXNHQN-PMACEKPBSA-N 2 2 305.425 4.365 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386353 1044300841 /nfs/dbraw/zinc/30/08/41/1044300841.db2.gz DQOAZZZRAHKSAF-NVXWUHKLSA-N 2 2 311.454 4.345 20 0 DIADLP c1cn(C[C@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883386567 1044300999 /nfs/dbraw/zinc/30/09/99/1044300999.db2.gz IKAAHFZTIPXYHE-RTWAWAEBSA-N 2 2 317.436 4.292 20 0 DIADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387562 1044301185 /nfs/dbraw/zinc/30/11/85/1044301185.db2.gz ZQHVKWJLBROTFP-WOJBJXKFSA-N 2 2 321.399 4.041 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000883387620 1044302090 /nfs/dbraw/zinc/30/20/90/1044302090.db2.gz ALUUTXPBXMOMAF-MAODMQOUSA-N 2 2 317.436 4.463 20 0 DIADLP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689242 1044303117 /nfs/dbraw/zinc/30/31/17/1044303117.db2.gz KSMKBACOYMHBBH-CZUORRHYSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689242 1044303131 /nfs/dbraw/zinc/30/31/31/1044303131.db2.gz KSMKBACOYMHBBH-CZUORRHYSA-N 2 2 323.362 4.035 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccsc1 ZINC000883387899 1044303721 /nfs/dbraw/zinc/30/37/21/1044303721.db2.gz HSUUFJWEZGUPKN-ZWKOTPCHSA-N 2 2 311.454 4.427 20 0 DIADLP Cc1scc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000883397588 1044304175 /nfs/dbraw/zinc/30/41/75/1044304175.db2.gz QCACDXSZPSOWAV-SFHVURJKSA-N 2 2 311.454 4.093 20 0 DIADLP C[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)Cn1cc[nH+]c1 ZINC000067500353 1044316211 /nfs/dbraw/zinc/31/62/11/1044316211.db2.gz SDSNVBPXZTYTHU-OAHLLOKOSA-N 2 2 311.454 4.038 20 0 DIADLP Cc1ccc2c(Nc3cc[nH+]c(N4CCCC4)c3)cccc2[nH+]1 ZINC001212796286 1044326827 /nfs/dbraw/zinc/32/68/27/1044326827.db2.gz WLGBFKSNQJVFIC-UHFFFAOYSA-N 2 2 304.397 4.282 20 0 DIADLP C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361190056 1044372034 /nfs/dbraw/zinc/37/20/34/1044372034.db2.gz OLAIDESRRJUCTN-HNNXBMFYSA-N 2 2 318.424 4.319 20 0 DIADLP CC(C)CCC[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000783581376 1044400971 /nfs/dbraw/zinc/40/09/71/1044400971.db2.gz TWCNDJPQLOXDNT-UHFFFAOYSA-N 2 2 303.494 4.065 20 0 DIADLP CCc1[nH+]ccn1[C@H]1CCCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000564893830 1044407359 /nfs/dbraw/zinc/40/73/59/1044407359.db2.gz WJIWMQCGEWPZBW-INIZCTEOSA-N 2 2 320.440 4.144 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000361482510 1044408488 /nfs/dbraw/zinc/40/84/88/1044408488.db2.gz ABXPRMGQTVAVQJ-FQEVSTJZSA-N 2 2 305.425 4.422 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795221 1044410671 /nfs/dbraw/zinc/41/06/71/1044410671.db2.gz XRWCGPYTRMEXPV-KRWDZBQOSA-N 2 2 303.837 4.325 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H](C)c3ccccc31)CCC2 ZINC000361664744 1044428850 /nfs/dbraw/zinc/42/88/50/1044428850.db2.gz PHTRBXFNWDRFPY-ALKREAHSSA-N 2 2 309.457 4.297 20 0 DIADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000361665811 1044430147 /nfs/dbraw/zinc/43/01/47/1044430147.db2.gz ZOXWKKNJCOLYMF-MJGOQNOKSA-N 2 2 311.473 4.446 20 0 DIADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000361665810 1044430199 /nfs/dbraw/zinc/43/01/99/1044430199.db2.gz ZOXWKKNJCOLYMF-IEBWSBKVSA-N 2 2 311.473 4.446 20 0 DIADLP c1ccc(NCCCC[NH2+]C2CCC3(CCCC3)CC2)[nH+]c1 ZINC000565392945 1044432700 /nfs/dbraw/zinc/43/27/00/1044432700.db2.gz QCXJZALEURFHKF-UHFFFAOYSA-N 2 2 301.478 4.366 20 0 DIADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000568334043 1044617200 /nfs/dbraw/zinc/61/72/00/1044617200.db2.gz QTMCOKAPUWAWCF-AUUYWEPGSA-N 2 2 309.413 4.000 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1oc3ccccc3c1C)CCC2 ZINC000366211154 1044713704 /nfs/dbraw/zinc/71/37/04/1044713704.db2.gz QNMIZWPMSAHFTK-HZPDHXFCSA-N 2 2 323.440 4.474 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@@H](c3ccccc3)C1(C)C)CCC2 ZINC000369936143 1044821331 /nfs/dbraw/zinc/82/13/31/1044821331.db2.gz XTUVNCWRKZLEEZ-FHWLQOOXSA-N 2 2 323.484 4.241 20 0 DIADLP CC(C)CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000571836530 1044825764 /nfs/dbraw/zinc/82/57/64/1044825764.db2.gz BJJSMHNUGKAYPH-GOSISDBHSA-N 2 2 317.521 4.491 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)CCC2 ZINC000371069560 1044860473 /nfs/dbraw/zinc/86/04/73/1044860473.db2.gz OIACACZBUHATNE-ZDUSSCGKSA-N 2 2 324.255 4.166 20 0 DIADLP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000372568792 1044917688 /nfs/dbraw/zinc/91/76/88/1044917688.db2.gz ALFYGPBJEIRJOV-QMMLZNLJSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000372568792 1044917693 /nfs/dbraw/zinc/91/76/93/1044917693.db2.gz ALFYGPBJEIRJOV-QMMLZNLJSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc([C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000372568792 1044917702 /nfs/dbraw/zinc/91/77/02/1044917702.db2.gz ALFYGPBJEIRJOV-QMMLZNLJSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc([C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000372568792 1044917713 /nfs/dbraw/zinc/91/77/13/1044917713.db2.gz ALFYGPBJEIRJOV-QMMLZNLJSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000337640197 1044931700 /nfs/dbraw/zinc/93/17/00/1044931700.db2.gz XGRFHIVTGXWBEK-QGZVFWFLSA-N 2 2 305.425 4.374 20 0 DIADLP Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000337640197 1044931711 /nfs/dbraw/zinc/93/17/11/1044931711.db2.gz XGRFHIVTGXWBEK-QGZVFWFLSA-N 2 2 305.425 4.374 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151695755 1045029654 /nfs/dbraw/zinc/02/96/54/1045029654.db2.gz DGKBEEDVQDBESL-XOBRGWDASA-N 2 2 321.399 4.350 20 0 DIADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000151715079 1045030212 /nfs/dbraw/zinc/03/02/12/1045030212.db2.gz QCWYCIBZOIUOQU-JKSUJKDBSA-N 2 2 323.444 4.062 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151660383 1045030635 /nfs/dbraw/zinc/03/06/35/1045030635.db2.gz VCBAXMUZGKGLPV-JLTOFOAXSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000447565761 1045151011 /nfs/dbraw/zinc/15/10/11/1045151011.db2.gz NMYBCUXBSCIRSZ-NQBHXWOUSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000447565761 1045151015 /nfs/dbraw/zinc/15/10/15/1045151015.db2.gz NMYBCUXBSCIRSZ-NQBHXWOUSA-N 2 2 301.261 4.127 20 0 DIADLP CC(C)[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000447539882 1045142880 /nfs/dbraw/zinc/14/28/80/1045142880.db2.gz IAJBWPREZZUGBX-UXHICEINSA-N 2 2 323.484 4.236 20 0 DIADLP Cc1cccc2c1[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000924624086 1045184243 /nfs/dbraw/zinc/18/42/43/1045184243.db2.gz LCLHMIGDSCOGLN-HXUWFJFHSA-N 2 2 317.436 4.017 20 0 DIADLP CCCc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000557539378 1045197176 /nfs/dbraw/zinc/19/71/76/1045197176.db2.gz CMJUCAKEADVIEQ-XLIONFOSSA-N 2 2 311.473 4.206 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1csc2ccccc12 ZINC000925168387 1045233487 /nfs/dbraw/zinc/23/34/87/1045233487.db2.gz HACAWXTVUZFEQX-KGLIPLIRSA-N 2 2 311.454 4.326 20 0 DIADLP CC1(C)CCC[C@@H]1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000527727609 1045254766 /nfs/dbraw/zinc/25/47/66/1045254766.db2.gz HPSDYIZVICMMKP-CQSZACIVSA-N 2 2 320.443 4.209 20 0 DIADLP C(=C\c1ccccc1)\CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000579075858 1045292307 /nfs/dbraw/zinc/29/23/07/1045292307.db2.gz LURUWHQTGVYLQS-YHYXMXQVSA-N 2 2 307.441 4.061 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000187855844 1045332130 /nfs/dbraw/zinc/33/21/30/1045332130.db2.gz YMYXWFMVJOVGLT-LJQANCHMSA-N 2 2 309.388 4.252 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC13CCCCC3)CCC2 ZINC000449166941 1045357408 /nfs/dbraw/zinc/35/74/08/1045357408.db2.gz HCZWJIGAEBZOPX-IRXDYDNUSA-N 2 2 301.478 4.162 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cccc3ccoc32)CC1 ZINC000449334363 1045381054 /nfs/dbraw/zinc/38/10/54/1045381054.db2.gz XBPZVROAOXAWSV-UHFFFAOYSA-N 2 2 324.424 4.122 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccc3ccoc32)CC1 ZINC000449334363 1045381059 /nfs/dbraw/zinc/38/10/59/1045381059.db2.gz XBPZVROAOXAWSV-UHFFFAOYSA-N 2 2 324.424 4.122 20 0 DIADLP Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449352532 1045381384 /nfs/dbraw/zinc/38/13/84/1045381384.db2.gz VBFIMSPZXSQOFA-FQEVSTJZSA-N 2 2 321.399 4.179 20 0 DIADLP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464196 1045399462 /nfs/dbraw/zinc/39/94/62/1045399462.db2.gz XZVLXSYWVWRSDS-HIFRSBDPSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464196 1045399465 /nfs/dbraw/zinc/39/94/65/1045399465.db2.gz XZVLXSYWVWRSDS-HIFRSBDPSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000628215653 1045546850 /nfs/dbraw/zinc/54/68/50/1045546850.db2.gz PPEIQTYQKMXYMB-ZIAGYGMSSA-N 2 2 310.432 4.139 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC(F)(F)C1 ZINC000628215651 1045547924 /nfs/dbraw/zinc/54/79/24/1045547924.db2.gz PPEIQTYQKMXYMB-KGLIPLIRSA-N 2 2 310.432 4.139 20 0 DIADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cccc([C@H]3CCC[NH2+]3)c2)c1 ZINC000629732043 1045704902 /nfs/dbraw/zinc/70/49/02/1045704902.db2.gz RVNPPFYQDUMBSE-HXUWFJFHSA-N 2 2 321.399 4.162 20 0 DIADLP CC[C@H]1Cc2c(cccc2-c2ccc(Cn3cc[nH+]c3)cc2)C[NH2+]1 ZINC000629741986 1045708224 /nfs/dbraw/zinc/70/82/24/1045708224.db2.gz KKZQEPKBNPHBTF-IBGZPJMESA-N 2 2 317.436 4.023 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451738075 1045725105 /nfs/dbraw/zinc/72/51/05/1045725105.db2.gz RNMNVBWKKLGIAD-QGZVFWFLSA-N 2 2 303.837 4.072 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000192100297 1045782415 /nfs/dbraw/zinc/78/24/15/1045782415.db2.gz NRGVQZAVPZBIQS-UHFFFAOYSA-N 2 2 323.415 4.345 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3ncccc23)C2CCCC2)CC1 ZINC001137632189 1045914737 /nfs/dbraw/zinc/91/47/37/1045914737.db2.gz URIIENYRIUUGCW-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3ncccc23)C2CCCC2)CC1 ZINC001137632189 1045914748 /nfs/dbraw/zinc/91/47/48/1045914748.db2.gz URIIENYRIUUGCW-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000828624940 1045923346 /nfs/dbraw/zinc/92/33/46/1045923346.db2.gz SWGWOHBJELDMCR-WFASDCNBSA-N 2 2 324.255 4.107 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(Cl)cc2F)C2CCCC2)CC1 ZINC001137662498 1045925929 /nfs/dbraw/zinc/92/59/29/1045925929.db2.gz VAEZOLLAOOSXFO-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(Cl)cc2F)C2CCCC2)CC1 ZINC001137662498 1045925939 /nfs/dbraw/zinc/92/59/39/1045925939.db2.gz VAEZOLLAOOSXFO-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cs1 ZINC000453095995 1045934130 /nfs/dbraw/zinc/93/41/30/1045934130.db2.gz VOEANPOCFKTRSZ-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224956 1045992798 /nfs/dbraw/zinc/99/27/98/1045992798.db2.gz CFWSXZVQWQXOBD-BBRMVZONSA-N 2 2 321.827 4.144 20 0 DIADLP FCC[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224958 1045992824 /nfs/dbraw/zinc/99/28/24/1045992824.db2.gz CFWSXZVQWQXOBD-CZUORRHYSA-N 2 2 321.827 4.144 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)s1 ZINC000902759006 1046063264 /nfs/dbraw/zinc/06/32/64/1046063264.db2.gz MXPYHINAXZPYKT-NSHDSACASA-N 2 2 317.380 4.094 20 0 DIADLP CCC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000902791919 1046070700 /nfs/dbraw/zinc/07/07/00/1046070700.db2.gz ZULRUYZULPAHLS-OXQOHEQNSA-N 2 2 320.440 4.459 20 0 DIADLP COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000902882843 1046099309 /nfs/dbraw/zinc/09/93/09/1046099309.db2.gz ZWAMVDJXPCQBTH-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902881970 1046100249 /nfs/dbraw/zinc/10/02/49/1046100249.db2.gz NPGJBTDCTCELSW-HIFRSBDPSA-N 2 2 305.372 4.101 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902881971 1046100439 /nfs/dbraw/zinc/10/04/39/1046100439.db2.gz NPGJBTDCTCELSW-UKRRQHHQSA-N 2 2 305.372 4.101 20 0 DIADLP CCCc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC001138527428 1046210914 /nfs/dbraw/zinc/21/09/14/1046210914.db2.gz HUUPBHLRBGFZKC-UHFFFAOYSA-N 2 2 306.519 4.151 20 0 DIADLP CCCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)s1 ZINC001138523554 1046211157 /nfs/dbraw/zinc/21/11/57/1046211157.db2.gz IFZFUJAATVDWED-UHFFFAOYSA-N 2 2 316.470 4.139 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903283241 1046222376 /nfs/dbraw/zinc/22/23/76/1046222376.db2.gz ISEVEROFOPDZTD-GDBMZVCRSA-N 2 2 315.486 4.197 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903283336 1046222656 /nfs/dbraw/zinc/22/26/56/1046222656.db2.gz QMZZRDXDKWGNAE-ZBFHGGJFSA-N 2 2 315.486 4.197 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C2CC2)cc1 ZINC000903380153 1046261158 /nfs/dbraw/zinc/26/11/58/1046261158.db2.gz LBKBDBDTAQVWRM-LEWJYISDSA-N 2 2 323.484 4.124 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C2CC2)cc1 ZINC000903380155 1046261357 /nfs/dbraw/zinc/26/13/57/1046261357.db2.gz LBKBDBDTAQVWRM-RTWAWAEBSA-N 2 2 323.484 4.124 20 0 DIADLP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1cccc(C)c1 ZINC000903379988 1046261560 /nfs/dbraw/zinc/26/15/60/1046261560.db2.gz JLTPVCYWUYTHLH-PMACEKPBSA-N 2 2 311.473 4.124 20 0 DIADLP CCCCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138754260 1046288233 /nfs/dbraw/zinc/28/82/33/1046288233.db2.gz DBICBGVTEOKBPR-MRXNPFEDSA-N 2 2 316.470 4.139 20 0 DIADLP CCCCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138754260 1046288240 /nfs/dbraw/zinc/28/82/40/1046288240.db2.gz DBICBGVTEOKBPR-MRXNPFEDSA-N 2 2 316.470 4.139 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)s1 ZINC001138755370 1046289537 /nfs/dbraw/zinc/28/95/37/1046289537.db2.gz OONGQTOQMHSUHK-UHFFFAOYSA-N 2 2 306.519 4.149 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)s1 ZINC001138755370 1046289551 /nfs/dbraw/zinc/28/95/51/1046289551.db2.gz OONGQTOQMHSUHK-UHFFFAOYSA-N 2 2 306.519 4.149 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122320412 1046295846 /nfs/dbraw/zinc/29/58/46/1046295846.db2.gz SKXRZRVWHRHKTP-RWSFTLGLSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122320412 1046295858 /nfs/dbraw/zinc/29/58/58/1046295858.db2.gz SKXRZRVWHRHKTP-RWSFTLGLSA-N 2 2 301.261 4.114 20 0 DIADLP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908912 1046339866 /nfs/dbraw/zinc/33/98/66/1046339866.db2.gz PTKSDIQELAOOLA-ZWNOBZJWSA-N 2 2 324.337 4.071 20 0 DIADLP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908912 1046339878 /nfs/dbraw/zinc/33/98/78/1046339878.db2.gz PTKSDIQELAOOLA-ZWNOBZJWSA-N 2 2 324.337 4.071 20 0 DIADLP c1csc(-c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)s2)c1 ZINC001139020168 1046360753 /nfs/dbraw/zinc/36/07/53/1046360753.db2.gz ZLPOMBOULXRSCN-UHFFFAOYSA-N 2 2 318.511 4.147 20 0 DIADLP C[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780882385 1046410592 /nfs/dbraw/zinc/41/05/92/1046410592.db2.gz MEAHUHJBWIOWRE-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780882385 1046410602 /nfs/dbraw/zinc/41/06/02/1046410602.db2.gz MEAHUHJBWIOWRE-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP CCc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001139361871 1046438818 /nfs/dbraw/zinc/43/88/18/1046438818.db2.gz CNGWETSAOHTJHF-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP CCc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001139361871 1046438821 /nfs/dbraw/zinc/43/88/21/1046438821.db2.gz CNGWETSAOHTJHF-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP Cc1ccc2c(C)cc(N(C)C3CC[NH+](C(C)C)CC3)[nH+]c2c1 ZINC000641848918 1046519420 /nfs/dbraw/zinc/51/94/20/1046519420.db2.gz NWNJTAILWHVONM-UHFFFAOYSA-N 2 2 311.473 4.161 20 0 DIADLP CC(C)c1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000782540563 1046536331 /nfs/dbraw/zinc/53/63/31/1046536331.db2.gz WIFUCJUBUALQQQ-UHFFFAOYSA-N 2 2 323.415 4.425 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC001140023355 1046573506 /nfs/dbraw/zinc/57/35/06/1046573506.db2.gz LSMJAXHNDKHJKI-MRXNPFEDSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ccccc2[C@H]1C ZINC001140023355 1046573514 /nfs/dbraw/zinc/57/35/14/1046573514.db2.gz LSMJAXHNDKHJKI-MRXNPFEDSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@@H+](C)C(C)C)o2)cc1 ZINC000642339447 1046600046 /nfs/dbraw/zinc/60/00/46/1046600046.db2.gz FVFJLNIQDFSRFD-UHFFFAOYSA-N 2 2 300.446 4.075 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@H+](C)C(C)C)o2)cc1 ZINC000642339447 1046600052 /nfs/dbraw/zinc/60/00/52/1046600052.db2.gz FVFJLNIQDFSRFD-UHFFFAOYSA-N 2 2 300.446 4.075 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(C)n1 ZINC000643508567 1046669313 /nfs/dbraw/zinc/66/93/13/1046669313.db2.gz FJXNIFAROTUPHI-FOIQADDNSA-N 2 2 311.473 4.172 20 0 DIADLP CC(C)[C@H]1CC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000796897165 1046754389 /nfs/dbraw/zinc/75/43/89/1046754389.db2.gz JGYVZTHNPXYYIZ-WOJBJXKFSA-N 2 2 315.505 4.064 20 0 DIADLP C[C@H]1C[C@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000679127440 1046779848 /nfs/dbraw/zinc/77/98/48/1046779848.db2.gz CEQITVMGTGOTRS-FXAWDEMLSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@H]1C[C@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000679127440 1046779862 /nfs/dbraw/zinc/77/98/62/1046779862.db2.gz CEQITVMGTGOTRS-FXAWDEMLSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406982 1046788619 /nfs/dbraw/zinc/78/86/19/1046788619.db2.gz UWYIDVXMLNZEJU-ZBFHGGJFSA-N 2 2 312.432 4.114 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406982 1046788636 /nfs/dbraw/zinc/78/86/36/1046788636.db2.gz UWYIDVXMLNZEJU-ZBFHGGJFSA-N 2 2 312.432 4.114 20 0 DIADLP CCc1c(C)[nH+]c2ccccc2c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679190173 1046790889 /nfs/dbraw/zinc/79/08/89/1046790889.db2.gz TULMHNMQFSCFRL-INIZCTEOSA-N 2 2 320.440 4.144 20 0 DIADLP c1sc2ccccc2c1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001140636987 1046820308 /nfs/dbraw/zinc/82/03/08/1046820308.db2.gz ZZMFXHNBQABAII-UHFFFAOYSA-N 2 2 324.449 4.340 20 0 DIADLP Cc1ccccc1C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000645980677 1046836577 /nfs/dbraw/zinc/83/65/77/1046836577.db2.gz BBYMEINNIAKAAI-UHFFFAOYSA-N 2 2 317.436 4.268 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1C ZINC000679720993 1046894654 /nfs/dbraw/zinc/89/46/54/1046894654.db2.gz GNIXBRXBLSUJLD-KCITZHQASA-N 2 2 311.473 4.118 20 0 DIADLP CC(C)[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001137394905 1046933574 /nfs/dbraw/zinc/93/35/74/1046933574.db2.gz CMBSYVBYWBXIAO-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001137394905 1046933586 /nfs/dbraw/zinc/93/35/86/1046933586.db2.gz CMBSYVBYWBXIAO-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1SC(C)(C)C ZINC000798179459 1046933864 /nfs/dbraw/zinc/93/38/64/1046933864.db2.gz BHTYYQKLEXKKCQ-AWEZNQCLSA-N 2 2 303.475 4.125 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC001141234046 1047057030 /nfs/dbraw/zinc/05/70/30/1047057030.db2.gz FKHVVZRBDGIGDC-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C)C1 ZINC001141234046 1047057045 /nfs/dbraw/zinc/05/70/45/1047057045.db2.gz FKHVVZRBDGIGDC-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP CCc1ccc(C[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001141243900 1047062949 /nfs/dbraw/zinc/06/29/49/1047062949.db2.gz BWKHPFIRCBAJLM-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP CCc1ccc(C[N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001141243900 1047062966 /nfs/dbraw/zinc/06/29/66/1047062966.db2.gz BWKHPFIRCBAJLM-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000536949322 1047126692 /nfs/dbraw/zinc/12/66/92/1047126692.db2.gz YGJUHXDXMZOXQM-KRWDZBQOSA-N 2 2 305.853 4.304 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000683012530 1047257030 /nfs/dbraw/zinc/25/70/30/1047257030.db2.gz VVZWXLZUHQJGNN-FQEVSTJZSA-N 2 2 321.399 4.267 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000683012530 1047257046 /nfs/dbraw/zinc/25/70/46/1047257046.db2.gz VVZWXLZUHQJGNN-FQEVSTJZSA-N 2 2 321.399 4.267 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)CCC2 ZINC000390209768 1047295748 /nfs/dbraw/zinc/29/57/48/1047295748.db2.gz DHYBUWCKDQTDDB-HNAYVOBHSA-N 2 2 311.473 4.137 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680846 1047321392 /nfs/dbraw/zinc/32/13/92/1047321392.db2.gz TUYBAOOAVRYUKK-DBVUQKKJSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680846 1047321406 /nfs/dbraw/zinc/32/14/06/1047321406.db2.gz TUYBAOOAVRYUKK-DBVUQKKJSA-N 2 2 321.468 4.026 20 0 DIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651670531 1047321812 /nfs/dbraw/zinc/32/18/12/1047321812.db2.gz MBQSQLHZTBLCSZ-QGZVFWFLSA-N 2 2 323.484 4.272 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000395171929 1047323118 /nfs/dbraw/zinc/32/31/18/1047323118.db2.gz MYPDGOCUJWCZHY-INIZCTEOSA-N 2 2 305.853 4.049 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651750074 1047327716 /nfs/dbraw/zinc/32/77/16/1047327716.db2.gz VHCACCSYPUXQMI-KRWDZBQOSA-N 2 2 323.484 4.274 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000045094645 1047359582 /nfs/dbraw/zinc/35/95/82/1047359582.db2.gz PRZCLVXVWDNRSM-GFCCVEGCSA-N 2 2 312.244 4.321 20 0 DIADLP CC[N@H+](Cc1ccccc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001142339314 1047434634 /nfs/dbraw/zinc/43/46/34/1047434634.db2.gz OPNMVFUBEIYUDH-UHFFFAOYSA-N 2 2 308.469 4.270 20 0 DIADLP CC[N@@H+](Cc1ccccc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001142339314 1047434636 /nfs/dbraw/zinc/43/46/36/1047434636.db2.gz OPNMVFUBEIYUDH-UHFFFAOYSA-N 2 2 308.469 4.270 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccccc1 ZINC001142349385 1047434660 /nfs/dbraw/zinc/43/46/60/1047434660.db2.gz YUFUIQZRYLVXOT-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccccc1 ZINC001142349385 1047434664 /nfs/dbraw/zinc/43/46/64/1047434664.db2.gz YUFUIQZRYLVXOT-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616219 1047454299 /nfs/dbraw/zinc/45/42/99/1047454299.db2.gz JRJDACUULMWQEW-XJKSGUPXSA-N 2 2 320.864 4.248 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616219 1047454304 /nfs/dbraw/zinc/45/43/04/1047454304.db2.gz JRJDACUULMWQEW-XJKSGUPXSA-N 2 2 320.864 4.248 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616219 1047454311 /nfs/dbraw/zinc/45/43/11/1047454311.db2.gz JRJDACUULMWQEW-XJKSGUPXSA-N 2 2 320.864 4.248 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(Cl)oc3ccccc32)[C@@H](C)C1 ZINC000537616219 1047454317 /nfs/dbraw/zinc/45/43/17/1047454317.db2.gz JRJDACUULMWQEW-XJKSGUPXSA-N 2 2 320.864 4.248 20 0 DIADLP Clc1ccc(C2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC001168334065 1047478154 /nfs/dbraw/zinc/47/81/54/1047478154.db2.gz JVJBTINXIFWONM-UHFFFAOYSA-N 2 2 317.864 4.243 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(C(F)F)cc2)C2CCCC2)CC1 ZINC001143256026 1047544745 /nfs/dbraw/zinc/54/47/45/1047544745.db2.gz ATYYTTKNMLKFGC-UHFFFAOYSA-N 2 2 322.443 4.463 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(C(F)F)cc2)C2CCCC2)CC1 ZINC001143256026 1047544749 /nfs/dbraw/zinc/54/47/49/1047544749.db2.gz ATYYTTKNMLKFGC-UHFFFAOYSA-N 2 2 322.443 4.463 20 0 DIADLP Cc1cccc2c1cc[nH+]c2NCC1C[NH+](Cc2ccccc2)C1 ZINC001156399439 1047709887 /nfs/dbraw/zinc/70/98/87/1047709887.db2.gz WZXXVVLMRBDMGP-UHFFFAOYSA-N 2 2 317.436 4.087 20 0 DIADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001206660834 1047718405 /nfs/dbraw/zinc/71/84/05/1047718405.db2.gz KKAMNQOEDRFRKB-IRXDYDNUSA-N 2 2 314.473 4.074 20 0 DIADLP Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]c2c(C)cccc12 ZINC001156770915 1047722026 /nfs/dbraw/zinc/72/20/26/1047722026.db2.gz LSCOJTHLIWQFKE-UHFFFAOYSA-N 2 2 311.473 4.336 20 0 DIADLP FC(F)(F)c1ccc2c(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc[nH+]c2c1 ZINC001159144749 1047816355 /nfs/dbraw/zinc/81/63/55/1047816355.db2.gz KKHJSAKUMXMOEJ-NEPJUHHUSA-N 2 2 319.330 4.074 20 0 DIADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc(C3CCC3)cc2)CC1 ZINC001159261514 1047824645 /nfs/dbraw/zinc/82/46/45/1047824645.db2.gz LJKYQBLFFQTZRA-UHFFFAOYSA-N 2 2 322.456 4.020 20 0 DIADLP Cc1ccc2c(Nc3cc([C@H]4CCCC[NH2+]4)no3)cccc2[nH+]1 ZINC001159313192 1047832100 /nfs/dbraw/zinc/83/21/00/1047832100.db2.gz JFVMUPQIRADGBJ-MRXNPFEDSA-N 2 2 308.385 4.089 20 0 DIADLP c1cn(-c2ccccc2Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001159447490 1047847045 /nfs/dbraw/zinc/84/70/45/1047847045.db2.gz MSMSTKBIRNRBSD-KRWDZBQOSA-N 2 2 304.397 4.040 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001182855435 1047852910 /nfs/dbraw/zinc/85/29/10/1047852910.db2.gz OXHWHPUYUQEGSK-OKZBNKHCSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001182855435 1047852920 /nfs/dbraw/zinc/85/29/20/1047852920.db2.gz OXHWHPUYUQEGSK-OKZBNKHCSA-N 2 2 320.908 4.439 20 0 DIADLP C[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917781 1047862479 /nfs/dbraw/zinc/86/24/79/1047862479.db2.gz BZQIQZWMOKIHEI-AUUYWEPGSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917781 1047862488 /nfs/dbraw/zinc/86/24/88/1047862488.db2.gz BZQIQZWMOKIHEI-AUUYWEPGSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917782 1047863131 /nfs/dbraw/zinc/86/31/31/1047863131.db2.gz BZQIQZWMOKIHEI-IFXJQAMLSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917782 1047863146 /nfs/dbraw/zinc/86/31/46/1047863146.db2.gz BZQIQZWMOKIHEI-IFXJQAMLSA-N 2 2 322.443 4.065 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3cccc4c3CC[NH2+]C4)ccc21 ZINC001159547950 1047865426 /nfs/dbraw/zinc/86/54/26/1047865426.db2.gz OQSRJQOUCBTZLU-UHFFFAOYSA-N 2 2 306.413 4.007 20 0 DIADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066351 1047889212 /nfs/dbraw/zinc/88/92/12/1047889212.db2.gz YCEAHDVYUUMFIB-GUYCJALGSA-N 2 2 312.860 4.031 20 0 DIADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066351 1047889221 /nfs/dbraw/zinc/88/92/21/1047889221.db2.gz YCEAHDVYUUMFIB-GUYCJALGSA-N 2 2 312.860 4.031 20 0 DIADLP c1c[nH+]c(-c2ccc(Nc3cccc(C4CC[NH2+]CC4)c3)cc2)[nH]1 ZINC001159764931 1047917272 /nfs/dbraw/zinc/91/72/72/1047917272.db2.gz QZHDQEZEGKGLQG-UHFFFAOYSA-N 2 2 318.424 4.287 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c[nH+]c1C ZINC001183525877 1047935113 /nfs/dbraw/zinc/93/51/13/1047935113.db2.gz JFTOTDJJTKZBAL-AUUYWEPGSA-N 2 2 301.478 4.153 20 0 DIADLP CCc1cccc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000667533073 1047951075 /nfs/dbraw/zinc/95/10/75/1047951075.db2.gz FAMNGPSZYGGNNN-MRXNPFEDSA-N 2 2 309.413 4.098 20 0 DIADLP CCc1cccc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000667533073 1047951079 /nfs/dbraw/zinc/95/10/79/1047951079.db2.gz FAMNGPSZYGGNNN-MRXNPFEDSA-N 2 2 309.413 4.098 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205281174 1047960391 /nfs/dbraw/zinc/96/03/91/1047960391.db2.gz QVAFLXOMNFMVAS-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205281174 1047960399 /nfs/dbraw/zinc/96/03/99/1047960399.db2.gz QVAFLXOMNFMVAS-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205281273 1047963716 /nfs/dbraw/zinc/96/37/16/1047963716.db2.gz RHYJYXNZQSTSAW-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205281273 1047963723 /nfs/dbraw/zinc/96/37/23/1047963723.db2.gz RHYJYXNZQSTSAW-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183864002 1047977006 /nfs/dbraw/zinc/97/70/06/1047977006.db2.gz IJRJXZOJRAGKGC-SJORKVTESA-N 2 2 301.478 4.174 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[C@@H]2C2CC2)c(C)c1 ZINC000554082859 1048005334 /nfs/dbraw/zinc/00/53/34/1048005334.db2.gz BMMDYJIFMQQCBY-AABGKKOBSA-N 2 2 309.457 4.019 20 0 DIADLP CC(C)=CCC[C@@H](C)CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184363930 1048027384 /nfs/dbraw/zinc/02/73/84/1048027384.db2.gz HXPOPUDCOCULOW-QGZVFWFLSA-N 2 2 303.494 4.372 20 0 DIADLP CC(C)=CCC[C@H](C)CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184363929 1048029155 /nfs/dbraw/zinc/02/91/55/1048029155.db2.gz HXPOPUDCOCULOW-KRWDZBQOSA-N 2 2 303.494 4.372 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1csc(C(F)(F)F)c1 ZINC000924733891 1048061728 /nfs/dbraw/zinc/06/17/28/1048061728.db2.gz WFYCBWHWXKYDRD-LLVKDONJSA-N 2 2 317.380 4.094 20 0 DIADLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(C2CCC2)n1)CC(C)C ZINC001184740574 1048088891 /nfs/dbraw/zinc/08/88/91/1048088891.db2.gz RBHHPYKFLRDYQP-KRWDZBQOSA-N 2 2 318.509 4.221 20 0 DIADLP CCCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001199701040 1048092902 /nfs/dbraw/zinc/09/29/02/1048092902.db2.gz OCEBBJXELBPVLH-UHFFFAOYSA-N 2 2 315.436 4.460 20 0 DIADLP CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2c[nH+]c(C)n2C)o1 ZINC000667658066 1048119250 /nfs/dbraw/zinc/11/92/50/1048119250.db2.gz YQEYEPOGHULCLL-QGZVFWFLSA-N 2 2 301.434 4.001 20 0 DIADLP CCc1ccc([C@H]2CCCCC[N@H+]2Cc2c[nH+]c(C)n2C)o1 ZINC000667658066 1048119254 /nfs/dbraw/zinc/11/92/54/1048119254.db2.gz YQEYEPOGHULCLL-QGZVFWFLSA-N 2 2 301.434 4.001 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000480635538 1048204833 /nfs/dbraw/zinc/20/48/33/1048204833.db2.gz AVGSAAOOIWAQBR-BHYGNILZSA-N 2 2 304.503 4.076 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000480635538 1048204846 /nfs/dbraw/zinc/20/48/46/1048204846.db2.gz AVGSAAOOIWAQBR-BHYGNILZSA-N 2 2 304.503 4.076 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000480756353 1048238438 /nfs/dbraw/zinc/23/84/38/1048238438.db2.gz JZJAUMMPBUGWMP-BBRMVZONSA-N 2 2 311.454 4.154 20 0 DIADLP CC(C)[PH+](CCNc1cc(N2CCCCC2)[nH+]cn1)C(C)C ZINC001162361632 1048267086 /nfs/dbraw/zinc/26/70/86/1048267086.db2.gz AHXUJLKBBGPXGW-UHFFFAOYSA-N 2 2 322.437 4.178 20 0 DIADLP c1cn(Cc2ccccc2)c(CC[NH2+]C(C2CCC2)C2CCC2)[nH+]1 ZINC000555169992 1048283000 /nfs/dbraw/zinc/28/30/00/1048283000.db2.gz OYMILSMPDYMOER-UHFFFAOYSA-N 2 2 323.484 4.032 20 0 DIADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481048843 1048297684 /nfs/dbraw/zinc/29/76/84/1048297684.db2.gz VHIMQTCAHZJLMF-HOTGVXAUSA-N 2 2 323.415 4.293 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001201566919 1048319954 /nfs/dbraw/zinc/31/99/54/1048319954.db2.gz QEOFJOPJEKEMNY-BRWVUGGUSA-N 2 2 315.505 4.021 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000555378373 1048335557 /nfs/dbraw/zinc/33/55/57/1048335557.db2.gz RFYKMKQIKSCCDR-SJLPKXTDSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000555378373 1048335571 /nfs/dbraw/zinc/33/55/71/1048335571.db2.gz RFYKMKQIKSCCDR-SJLPKXTDSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000555378373 1048335587 /nfs/dbraw/zinc/33/55/87/1048335587.db2.gz RFYKMKQIKSCCDR-SJLPKXTDSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000555378373 1048335601 /nfs/dbraw/zinc/33/56/01/1048335601.db2.gz RFYKMKQIKSCCDR-SJLPKXTDSA-N 2 2 317.521 4.072 20 0 DIADLP Cc1cc([NH+]2CCCCC2)ccc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162853895 1048372985 /nfs/dbraw/zinc/37/29/85/1048372985.db2.gz OFPUJFVAYURQCI-GOSISDBHSA-N 2 2 321.468 4.007 20 0 DIADLP CSc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001201851247 1048381492 /nfs/dbraw/zinc/38/14/92/1048381492.db2.gz SHPHLRBXBRSHFC-ZDUSSCGKSA-N 2 2 313.426 4.038 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2c1CCC2 ZINC001201842332 1048386927 /nfs/dbraw/zinc/38/69/27/1048386927.db2.gz JHIVATRHEIEWDR-UHFFFAOYSA-N 2 2 322.496 4.176 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2c1CCC2 ZINC001201842332 1048386941 /nfs/dbraw/zinc/38/69/41/1048386941.db2.gz JHIVATRHEIEWDR-UHFFFAOYSA-N 2 2 322.496 4.176 20 0 DIADLP C[NH+](C)CC1(C[NH2+]Cc2cc(Cl)sc2Cl)CCCC1 ZINC001201929335 1048396455 /nfs/dbraw/zinc/39/64/55/1048396455.db2.gz LIKTURQMABCZJS-UHFFFAOYSA-N 2 2 321.317 4.267 20 0 DIADLP Clc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668509 1048412408 /nfs/dbraw/zinc/41/24/08/1048412408.db2.gz ATGPIZJRGMXGPX-SFHVURJKSA-N 2 2 311.816 4.068 20 0 DIADLP Cc1oc2ccccc2c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000155703365 1048429652 /nfs/dbraw/zinc/42/96/52/1048429652.db2.gz HRWRZNDDIHFPTR-UHFFFAOYSA-N 2 2 317.392 4.217 20 0 DIADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001202150718 1048475161 /nfs/dbraw/zinc/47/51/61/1048475161.db2.gz KVXFQMFWXSHXRI-ROUUACIJSA-N 2 2 306.538 4.447 20 0 DIADLP Cc1cc(Oc2ccc(Nc3ccc(C[NH3+])cc3)cc2)cc[nH+]1 ZINC001175971165 1048511172 /nfs/dbraw/zinc/51/11/72/1048511172.db2.gz DELVAEYOJQTBNB-UHFFFAOYSA-N 2 2 305.381 4.385 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001202300200 1048515519 /nfs/dbraw/zinc/51/55/19/1048515519.db2.gz VPQOPRSJKGIOGM-IZRJCCQOSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001202300200 1048515523 /nfs/dbraw/zinc/51/55/23/1048515523.db2.gz VPQOPRSJKGIOGM-IZRJCCQOSA-N 2 2 312.501 4.232 20 0 DIADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000482244880 1048572373 /nfs/dbraw/zinc/57/23/73/1048572373.db2.gz NLGZJPLXRTVFKF-KRWDZBQOSA-N 2 2 315.848 4.204 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000482245446 1048573495 /nfs/dbraw/zinc/57/34/95/1048573495.db2.gz ZQUCFNXIEMISNI-AWEZNQCLSA-N 2 2 303.837 4.278 20 0 DIADLP CCOc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162917672 1048602333 /nfs/dbraw/zinc/60/23/33/1048602333.db2.gz VAAZZZJCWSZDKA-INIZCTEOSA-N 2 2 313.445 4.023 20 0 DIADLP c1ccc(-c2cc[nH+]c(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2)cc1 ZINC001165321156 1048680792 /nfs/dbraw/zinc/68/07/92/1048680792.db2.gz XAJDZZKHHZLQKT-HXUWFJFHSA-N 2 2 321.468 4.107 20 0 DIADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC(F)(F)C1 ZINC001205517381 1048735874 /nfs/dbraw/zinc/73/58/74/1048735874.db2.gz ODZQIYUEGFPEQG-HNNXBMFYSA-N 2 2 314.464 4.056 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc2c(s1)CCC2 ZINC000483138828 1048744471 /nfs/dbraw/zinc/74/44/71/1048744471.db2.gz DGHRZILSPRBTQS-CQSZACIVSA-N 2 2 323.465 4.273 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000483143593 1048747234 /nfs/dbraw/zinc/74/72/34/1048747234.db2.gz LGCGARBEKVCDEZ-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000483157364 1048750222 /nfs/dbraw/zinc/75/02/22/1048750222.db2.gz OVQKAOXSJINDHV-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1ccc2c(c1)C[NH+](C/C=C\C[N@H+]1Cc3ccc(C)cc3C1)C2 ZINC000483309773 1048778576 /nfs/dbraw/zinc/77/85/76/1048778576.db2.gz QRUOYVCNZLZNHA-ARJAWSKDSA-N 2 2 318.464 4.191 20 0 DIADLP Cc1ccc2c(c1)C[NH+](C/C=C\C[N@@H+]1Cc3ccc(C)cc3C1)C2 ZINC000483309773 1048778589 /nfs/dbraw/zinc/77/85/89/1048778589.db2.gz QRUOYVCNZLZNHA-ARJAWSKDSA-N 2 2 318.464 4.191 20 0 DIADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)n1C ZINC000668236372 1048784316 /nfs/dbraw/zinc/78/43/16/1048784316.db2.gz JBYXOSUZNBGWCG-IBGZPJMESA-N 2 2 309.457 4.236 20 0 DIADLP Cc1[nH+]cc(C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)n1C ZINC000668236372 1048784328 /nfs/dbraw/zinc/78/43/28/1048784328.db2.gz JBYXOSUZNBGWCG-IBGZPJMESA-N 2 2 309.457 4.236 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977409 1048811828 /nfs/dbraw/zinc/81/18/28/1048811828.db2.gz KYZDARPJMHXEAJ-LBPRGKRZSA-N 2 2 321.827 4.153 20 0 DIADLP C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177099345 1048832393 /nfs/dbraw/zinc/83/23/93/1048832393.db2.gz ZMBUMJKLZQOLDS-HNNXBMFYSA-N 2 2 311.454 4.045 20 0 DIADLP CC1(C)CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001177217279 1048848477 /nfs/dbraw/zinc/84/84/77/1048848477.db2.gz IUXRZHDYPSMCTR-LJQANCHMSA-N 2 2 311.473 4.380 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001177497080 1048902837 /nfs/dbraw/zinc/90/28/37/1048902837.db2.gz XXKFIQWURHSMBD-GFCCVEGCSA-N 2 2 303.456 4.155 20 0 DIADLP COc1ccc2c(Nc3ccc(-n4cc[nH+]c4)cc3)cc[nH+]c2c1 ZINC001203524970 1048918333 /nfs/dbraw/zinc/91/83/33/1048918333.db2.gz KIVFMIBGBNFVFC-UHFFFAOYSA-N 2 2 316.364 4.173 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000484295796 1048922246 /nfs/dbraw/zinc/92/22/46/1048922246.db2.gz WGPOFIYSNXMIAQ-ZDUSSCGKSA-N 2 2 323.362 4.253 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccs1 ZINC000484300898 1048923084 /nfs/dbraw/zinc/92/30/84/1048923084.db2.gz LDLRAZQRBNXCRI-OAHLLOKOSA-N 2 2 303.475 4.322 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001177821878 1048942582 /nfs/dbraw/zinc/94/25/82/1048942582.db2.gz FJWAZOMFVVUFCD-CWJKEVGVSA-N 2 2 314.517 4.423 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001177821878 1048942594 /nfs/dbraw/zinc/94/25/94/1048942594.db2.gz FJWAZOMFVVUFCD-CWJKEVGVSA-N 2 2 314.517 4.423 20 0 DIADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177950109 1048968577 /nfs/dbraw/zinc/96/85/77/1048968577.db2.gz UXLIYUOXUPXKJW-XJKSGUPXSA-N 2 2 303.475 4.238 20 0 DIADLP C[N@@H+]1CCc2ccc(Nc3ccc([NH+]4CCCCC4)cc3)cc2C1 ZINC001203724205 1048980010 /nfs/dbraw/zinc/98/00/10/1048980010.db2.gz IROMRDDRFWDXOG-UHFFFAOYSA-N 2 2 321.468 4.408 20 0 DIADLP C[N@H+]1CCc2ccc(Nc3ccc([NH+]4CCCCC4)cc3)cc2C1 ZINC001203724205 1048980016 /nfs/dbraw/zinc/98/00/16/1048980016.db2.gz IROMRDDRFWDXOG-UHFFFAOYSA-N 2 2 321.468 4.408 20 0 DIADLP Cc1ccc(C)c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001203751996 1048991526 /nfs/dbraw/zinc/99/15/26/1048991526.db2.gz OLFCHTGYPDBJNI-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1ccc(C)c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001203751996 1048991533 /nfs/dbraw/zinc/99/15/33/1048991533.db2.gz OLFCHTGYPDBJNI-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP c1cn(-c2ccc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2)c[nH+]1 ZINC001203807585 1049003194 /nfs/dbraw/zinc/00/31/94/1049003194.db2.gz YSRBSSIOVYZWRF-UHFFFAOYSA-N 2 2 318.424 4.212 20 0 DIADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203891716 1049023647 /nfs/dbraw/zinc/02/36/47/1049023647.db2.gz HCQZKOXXIRBUJE-UHFFFAOYSA-N 2 2 322.496 4.482 20 0 DIADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203891716 1049023660 /nfs/dbraw/zinc/02/36/60/1049023660.db2.gz HCQZKOXXIRBUJE-UHFFFAOYSA-N 2 2 322.496 4.482 20 0 DIADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000776855819 1049070915 /nfs/dbraw/zinc/07/09/15/1049070915.db2.gz JQAQRAMZOVTPML-MRXNPFEDSA-N 2 2 315.505 4.208 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417965 1049071931 /nfs/dbraw/zinc/07/19/31/1049071931.db2.gz TYOBUYRYXKJMRR-HACGYAERSA-N 2 2 310.844 4.004 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417965 1049071948 /nfs/dbraw/zinc/07/19/48/1049071948.db2.gz TYOBUYRYXKJMRR-HACGYAERSA-N 2 2 310.844 4.004 20 0 DIADLP CCOc1cc[nH+]cc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204086979 1049081315 /nfs/dbraw/zinc/08/13/15/1049081315.db2.gz IQBKSJQNYIVYGR-UHFFFAOYSA-N 2 2 311.429 4.210 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000484923388 1049084193 /nfs/dbraw/zinc/08/41/93/1049084193.db2.gz TVNUNNVKSAZHFS-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000484923388 1049084204 /nfs/dbraw/zinc/08/42/04/1049084204.db2.gz TVNUNNVKSAZHFS-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923388 1049084217 /nfs/dbraw/zinc/08/42/17/1049084217.db2.gz TVNUNNVKSAZHFS-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923388 1049084231 /nfs/dbraw/zinc/08/42/31/1049084231.db2.gz TVNUNNVKSAZHFS-PKOBYXMFSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H]1C ZINC001178790843 1049089575 /nfs/dbraw/zinc/08/95/75/1049089575.db2.gz FJKXYMFUWGURRQ-KFWWJZLASA-N 2 2 317.864 4.440 20 0 DIADLP CC(C)(C)C1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001178810735 1049093276 /nfs/dbraw/zinc/09/32/76/1049093276.db2.gz MVZRUELTBUZBSY-ACBHZAAOSA-N 2 2 314.517 4.454 20 0 DIADLP CC(C)(C)C1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001178810735 1049093290 /nfs/dbraw/zinc/09/32/90/1049093290.db2.gz MVZRUELTBUZBSY-ACBHZAAOSA-N 2 2 314.517 4.454 20 0 DIADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204172124 1049105069 /nfs/dbraw/zinc/10/50/69/1049105069.db2.gz XFGFWRUCPVJUEF-UHFFFAOYSA-N 2 2 322.496 4.482 20 0 DIADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204172124 1049105076 /nfs/dbraw/zinc/10/50/76/1049105076.db2.gz XFGFWRUCPVJUEF-UHFFFAOYSA-N 2 2 322.496 4.482 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC001179044788 1049122526 /nfs/dbraw/zinc/12/25/26/1049122526.db2.gz QDIGCXBEQPMQEQ-JHNWYVAOSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C ZINC001179044788 1049122531 /nfs/dbraw/zinc/12/25/31/1049122531.db2.gz QDIGCXBEQPMQEQ-JHNWYVAOSA-N 2 2 312.501 4.232 20 0 DIADLP CCC[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001179314679 1049154626 /nfs/dbraw/zinc/15/46/26/1049154626.db2.gz CZLFOXIHBCEJEL-UYAOXDASSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001179314679 1049154632 /nfs/dbraw/zinc/15/46/32/1049154632.db2.gz CZLFOXIHBCEJEL-UYAOXDASSA-N 2 2 300.490 4.177 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc3ccccc3n2)C2CCCC2)CC1 ZINC001204507257 1049178838 /nfs/dbraw/zinc/17/88/38/1049178838.db2.gz VJYZVHCHCHFIOJ-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc3ccccc3n2)C2CCCC2)CC1 ZINC001204507257 1049178843 /nfs/dbraw/zinc/17/88/43/1049178843.db2.gz VJYZVHCHCHFIOJ-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP CC(C)(C)[NH2+]Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001204684784 1049223880 /nfs/dbraw/zinc/22/38/80/1049223880.db2.gz YEGVDZVGTNXKSL-UHFFFAOYSA-N 2 2 324.472 4.314 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001204693638 1049228491 /nfs/dbraw/zinc/22/84/91/1049228491.db2.gz FCCPHUWOZPMHGA-UHFFFAOYSA-N 2 2 318.848 4.126 20 0 DIADLP Cc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001205103766 1049377222 /nfs/dbraw/zinc/37/72/22/1049377222.db2.gz QTJBWFCINUMFRP-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001205103766 1049377233 /nfs/dbraw/zinc/37/72/33/1049377233.db2.gz QTJBWFCINUMFRP-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001194615987 1049406619 /nfs/dbraw/zinc/40/66/19/1049406619.db2.gz NFEFJIZUNMVCNC-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001194615987 1049406623 /nfs/dbraw/zinc/40/66/23/1049406623.db2.gz NFEFJIZUNMVCNC-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205265830 1049421162 /nfs/dbraw/zinc/42/11/62/1049421162.db2.gz RQZUUZNVBCHSBA-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205265830 1049421169 /nfs/dbraw/zinc/42/11/69/1049421169.db2.gz RQZUUZNVBCHSBA-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3[nH]ccc32)C2CCCC2)CC1 ZINC001205304389 1049433194 /nfs/dbraw/zinc/43/31/94/1049433194.db2.gz BJGJYZDXEMODCO-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3[nH]ccc32)C2CCCC2)CC1 ZINC001205304389 1049433202 /nfs/dbraw/zinc/43/32/02/1049433202.db2.gz BJGJYZDXEMODCO-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001181115429 1049441109 /nfs/dbraw/zinc/44/11/09/1049441109.db2.gz YATHVDPVKWTGCR-JXFKEZNVSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001181115429 1049441118 /nfs/dbraw/zinc/44/11/18/1049441118.db2.gz YATHVDPVKWTGCR-JXFKEZNVSA-N 2 2 300.490 4.065 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2sccc2Cl)C2CCCC2)CC1 ZINC001205354195 1049447336 /nfs/dbraw/zinc/44/73/36/1049447336.db2.gz SOUCQYRKUBOTEZ-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2sccc2Cl)C2CCCC2)CC1 ZINC001205354195 1049447344 /nfs/dbraw/zinc/44/73/44/1049447344.db2.gz SOUCQYRKUBOTEZ-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC001181465035 1049480933 /nfs/dbraw/zinc/48/09/33/1049480933.db2.gz SXXKTBTUUQJVFB-IRFCIJBXSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC001181465035 1049480942 /nfs/dbraw/zinc/48/09/42/1049480942.db2.gz SXXKTBTUUQJVFB-IRFCIJBXSA-N 2 2 312.501 4.004 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001181506268 1049485430 /nfs/dbraw/zinc/48/54/30/1049485430.db2.gz OGQZMISRSHSVCB-QUCCMNQESA-N 2 2 315.505 4.368 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001181506269 1049485467 /nfs/dbraw/zinc/48/54/67/1049485467.db2.gz OGQZMISRSHSVCB-UYAOXDASSA-N 2 2 315.505 4.368 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001205667537 1049528946 /nfs/dbraw/zinc/52/89/46/1049528946.db2.gz MVTVMGFVEGAPIO-SUMWQHHRSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001205667537 1049528961 /nfs/dbraw/zinc/52/89/61/1049528961.db2.gz MVTVMGFVEGAPIO-SUMWQHHRSA-N 2 2 324.871 4.017 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001203301134 1049541950 /nfs/dbraw/zinc/54/19/50/1049541950.db2.gz DETCYSHGXWKGKX-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001203301134 1049541966 /nfs/dbraw/zinc/54/19/66/1049541966.db2.gz DETCYSHGXWKGKX-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001203301134 1049541983 /nfs/dbraw/zinc/54/19/83/1049541983.db2.gz DETCYSHGXWKGKX-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001203301134 1049541994 /nfs/dbraw/zinc/54/19/94/1049541994.db2.gz DETCYSHGXWKGKX-NRFANRHFSA-N 2 2 324.468 4.076 20 0 DIADLP CC(C)C1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001182031328 1049561377 /nfs/dbraw/zinc/56/13/77/1049561377.db2.gz IGYLGRUGCRRDHY-UHFFFAOYSA-N 2 2 303.837 4.052 20 0 DIADLP Cc1cc(-c2cccc(Cn3cc[nH+]c3)c2)ccc1[C@@H]1CCC[NH2+]1 ZINC000863689511 1049588317 /nfs/dbraw/zinc/58/83/17/1049588317.db2.gz BSTVBSHSEGTUMA-NRFANRHFSA-N 2 2 317.436 4.331 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C[C@@H]1[NH3+] ZINC001205872957 1049588778 /nfs/dbraw/zinc/58/87/78/1049588778.db2.gz XKNIPQDRIOMOID-KUHUBIRLSA-N 2 2 314.860 4.176 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C[C@@H]1[NH3+] ZINC001205872957 1049588792 /nfs/dbraw/zinc/58/87/92/1049588792.db2.gz XKNIPQDRIOMOID-KUHUBIRLSA-N 2 2 314.860 4.176 20 0 DIADLP Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1cccc(Cn2cc[nH+]c2)c1 ZINC000863690862 1049589406 /nfs/dbraw/zinc/58/94/06/1049589406.db2.gz YEJAKJKYKGATRI-NRFANRHFSA-N 2 2 317.436 4.331 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC001205927092 1049604430 /nfs/dbraw/zinc/60/44/30/1049604430.db2.gz USYWMWANBYQHHO-YESZJQIVSA-N 2 2 312.567 4.007 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C[C@H]1[NH3+] ZINC001206043873 1049639352 /nfs/dbraw/zinc/63/93/52/1049639352.db2.gz XKNIPQDRIOMOID-AUUYWEPGSA-N 2 2 314.860 4.176 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C[C@H]1[NH3+] ZINC001206043873 1049639358 /nfs/dbraw/zinc/63/93/58/1049639358.db2.gz XKNIPQDRIOMOID-AUUYWEPGSA-N 2 2 314.860 4.176 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000339066072 1049645280 /nfs/dbraw/zinc/64/52/80/1049645280.db2.gz ARZNMIBTWMEHFS-OAQYLSRUSA-N 2 2 317.436 4.348 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182634905 1049691897 /nfs/dbraw/zinc/69/18/97/1049691897.db2.gz SPGSAIAEXAUNJW-QHAWAJNXSA-N 2 2 314.517 4.394 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182634905 1049691901 /nfs/dbraw/zinc/69/19/01/1049691901.db2.gz SPGSAIAEXAUNJW-QHAWAJNXSA-N 2 2 314.517 4.394 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182634904 1049692239 /nfs/dbraw/zinc/69/22/39/1049692239.db2.gz SPGSAIAEXAUNJW-NJYVYQBISA-N 2 2 314.517 4.394 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182634904 1049692244 /nfs/dbraw/zinc/69/22/44/1049692244.db2.gz SPGSAIAEXAUNJW-NJYVYQBISA-N 2 2 314.517 4.394 20 0 DIADLP Clc1cccc2c1CC[C@@H]2[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000489118864 1049729625 /nfs/dbraw/zinc/72/96/25/1049729625.db2.gz PANHQATUGAXBPE-IBGZPJMESA-N 2 2 318.892 4.278 20 0 DIADLP CC(C)(C)CC[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC001197275844 1049734418 /nfs/dbraw/zinc/73/44/18/1049734418.db2.gz XPLDPSAEGVZJIB-UHFFFAOYSA-N 2 2 313.489 4.254 20 0 DIADLP CC(C)(C)CC[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC001197275844 1049734428 /nfs/dbraw/zinc/73/44/28/1049734428.db2.gz XPLDPSAEGVZJIB-UHFFFAOYSA-N 2 2 313.489 4.254 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001206478226 1049740201 /nfs/dbraw/zinc/74/02/01/1049740201.db2.gz VZGKKLLSHHEJFA-YZGWKJHDSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001206478226 1049740206 /nfs/dbraw/zinc/74/02/06/1049740206.db2.gz VZGKKLLSHHEJFA-YZGWKJHDSA-N 2 2 314.517 4.349 20 0 DIADLP CC(C)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)n1 ZINC001206607182 1049769071 /nfs/dbraw/zinc/76/90/71/1049769071.db2.gz XDDJHLTWQYTILL-MRXNPFEDSA-N 2 2 323.912 4.211 20 0 DIADLP CC(C)c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)n1 ZINC001206607182 1049769078 /nfs/dbraw/zinc/76/90/78/1049769078.db2.gz XDDJHLTWQYTILL-MRXNPFEDSA-N 2 2 323.912 4.211 20 0 DIADLP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c(Cl)c1 ZINC001206692054 1049779945 /nfs/dbraw/zinc/77/99/45/1049779945.db2.gz WWJVIZKPUGUZIP-KRWDZBQOSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC001206692054 1049779950 /nfs/dbraw/zinc/77/99/50/1049779950.db2.gz WWJVIZKPUGUZIP-KRWDZBQOSA-N 2 2 324.871 4.018 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC001206696723 1049781124 /nfs/dbraw/zinc/78/11/24/1049781124.db2.gz CYAAZIBQXQDARS-KBAYOESNSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC001206696723 1049781128 /nfs/dbraw/zinc/78/11/28/1049781128.db2.gz CYAAZIBQXQDARS-KBAYOESNSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001207059008 1049828134 /nfs/dbraw/zinc/82/81/34/1049828134.db2.gz SCCSJMZHILYVPF-SUMWQHHRSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001207059008 1049828147 /nfs/dbraw/zinc/82/81/47/1049828147.db2.gz SCCSJMZHILYVPF-SUMWQHHRSA-N 2 2 324.871 4.017 20 0 DIADLP CC(C)[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197443 1049862253 /nfs/dbraw/zinc/86/22/53/1049862253.db2.gz QFQNRZRVUHBOIZ-VQIMIIECSA-N 2 2 320.908 4.248 20 0 DIADLP CC(C)[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197443 1049862267 /nfs/dbraw/zinc/86/22/67/1049862267.db2.gz QFQNRZRVUHBOIZ-VQIMIIECSA-N 2 2 320.908 4.248 20 0 DIADLP CC[N@H+](CC(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC001207523641 1049903709 /nfs/dbraw/zinc/90/37/09/1049903709.db2.gz CBLZJHRFXBBLGL-UHFFFAOYSA-N 2 2 322.496 4.235 20 0 DIADLP CC[N@@H+](CC(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC001207523641 1049903714 /nfs/dbraw/zinc/90/37/14/1049903714.db2.gz CBLZJHRFXBBLGL-UHFFFAOYSA-N 2 2 322.496 4.235 20 0 DIADLP C[N@H+](CCCc1cccc(F)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207604516 1049915904 /nfs/dbraw/zinc/91/59/04/1049915904.db2.gz RABDGSUHPSANTO-UHFFFAOYSA-N 2 2 323.415 4.076 20 0 DIADLP C[N@@H+](CCCc1cccc(F)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207604516 1049915908 /nfs/dbraw/zinc/91/59/08/1049915908.db2.gz RABDGSUHPSANTO-UHFFFAOYSA-N 2 2 323.415 4.076 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000571210257 1049929175 /nfs/dbraw/zinc/92/91/75/1049929175.db2.gz AEYAZEZXDFBYMS-HNNXBMFYSA-N 2 2 323.465 4.094 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001207936764 1049958425 /nfs/dbraw/zinc/95/84/25/1049958425.db2.gz JKKHEKKBXSYTAL-QMMLZNLJSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001207936764 1049958431 /nfs/dbraw/zinc/95/84/31/1049958431.db2.gz JKKHEKKBXSYTAL-QMMLZNLJSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001207936764 1049958437 /nfs/dbraw/zinc/95/84/37/1049958437.db2.gz JKKHEKKBXSYTAL-QMMLZNLJSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001207936764 1049958443 /nfs/dbraw/zinc/95/84/43/1049958443.db2.gz JKKHEKKBXSYTAL-QMMLZNLJSA-N 2 2 314.517 4.015 20 0 DIADLP CC[N@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001207937056 1049959257 /nfs/dbraw/zinc/95/92/57/1049959257.db2.gz NMTTVLYGSXJDOD-SFHVURJKSA-N 2 2 316.533 4.405 20 0 DIADLP CC[N@@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001207937056 1049959263 /nfs/dbraw/zinc/95/92/63/1049959263.db2.gz NMTTVLYGSXJDOD-SFHVURJKSA-N 2 2 316.533 4.405 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](C)Cc1ccc(C(C)C)cc1 ZINC001207937713 1049961692 /nfs/dbraw/zinc/96/16/92/1049961692.db2.gz SWZDZPJATJCRNN-GOSISDBHSA-N 2 2 313.489 4.207 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](C)Cc1ccc(C(C)C)cc1 ZINC001207937713 1049961701 /nfs/dbraw/zinc/96/17/01/1049961701.db2.gz SWZDZPJATJCRNN-GOSISDBHSA-N 2 2 313.489 4.207 20 0 DIADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@H]2c2c(F)cccc2F)CCCC1 ZINC001208187403 1049982785 /nfs/dbraw/zinc/98/27/85/1049982785.db2.gz JZLVBNHTZXNXKS-KRWDZBQOSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2c(F)cccc2F)CCCC1 ZINC001208187403 1049982789 /nfs/dbraw/zinc/98/27/89/1049982789.db2.gz JZLVBNHTZXNXKS-KRWDZBQOSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+]1CCC([N@H+](CCC2CCCCC2)Cc2ccco2)CC1 ZINC000572080981 1049991396 /nfs/dbraw/zinc/99/13/96/1049991396.db2.gz PNNNTOIMSFAPHC-UHFFFAOYSA-N 2 2 304.478 4.146 20 0 DIADLP C[NH+]1CCC([N@@H+](CCC2CCCCC2)Cc2ccco2)CC1 ZINC000572080981 1049991400 /nfs/dbraw/zinc/99/14/00/1049991400.db2.gz PNNNTOIMSFAPHC-UHFFFAOYSA-N 2 2 304.478 4.146 20 0 DIADLP C[C@H](CCc1ccco1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572112040 1049994616 /nfs/dbraw/zinc/99/46/16/1049994616.db2.gz AIGHHHBOMIIIKS-FOIQADDNSA-N 2 2 308.425 4.044 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](C)c1cccc2ccccc21 ZINC001208707781 1050004805 /nfs/dbraw/zinc/00/48/05/1050004805.db2.gz FDABIPZVOURVJI-KRWDZBQOSA-N 2 2 307.441 4.162 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](C)c1cccc2ccccc21 ZINC001208707781 1050004806 /nfs/dbraw/zinc/00/48/06/1050004806.db2.gz FDABIPZVOURVJI-KRWDZBQOSA-N 2 2 307.441 4.162 20 0 DIADLP CC/C=C\CC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208734442 1050007350 /nfs/dbraw/zinc/00/73/50/1050007350.db2.gz YKEDTCWUIAGFQB-PLNGDYQASA-N 2 2 304.453 4.078 20 0 DIADLP CC/C=C\CC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208734442 1050007352 /nfs/dbraw/zinc/00/73/52/1050007352.db2.gz YKEDTCWUIAGFQB-PLNGDYQASA-N 2 2 304.453 4.078 20 0 DIADLP CC(C)CCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208737589 1050008401 /nfs/dbraw/zinc/00/84/01/1050008401.db2.gz RKRIUQLSFHVCGS-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP CC(C)CCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208737589 1050008407 /nfs/dbraw/zinc/00/84/07/1050008407.db2.gz RKRIUQLSFHVCGS-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001208873777 1050019549 /nfs/dbraw/zinc/01/95/49/1050019549.db2.gz DURFDVCSDXJLSD-UHFFFAOYSA-N 2 2 320.908 4.223 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000573693804 1050252301 /nfs/dbraw/zinc/25/23/01/1050252301.db2.gz CXOGALUMVQBBEA-HXUWFJFHSA-N 2 2 319.452 4.148 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)s1 ZINC000573886736 1050260765 /nfs/dbraw/zinc/26/07/65/1050260765.db2.gz DFAMDXIRWROSBZ-HIFRSBDPSA-N 2 2 323.465 4.346 20 0 DIADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CC3(C)CCC3)cc2)CC1 ZINC000766213139 1050397440 /nfs/dbraw/zinc/39/74/40/1050397440.db2.gz LLMWUBXFQCRFHR-UHFFFAOYSA-N 2 2 315.505 4.067 20 0 DIADLP FC(F)Sc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000735870625 1050435205 /nfs/dbraw/zinc/43/52/05/1050435205.db2.gz NANQXBGYKWJUPV-UHFFFAOYSA-N 2 2 323.412 4.104 20 0 DIADLP CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000796897159 1050441955 /nfs/dbraw/zinc/44/19/55/1050441955.db2.gz JGYVZTHNPXYYIZ-VQTJNVASSA-N 2 2 315.505 4.064 20 0 DIADLP Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c2ccccc2[nH+]1 ZINC001213085679 1050583823 /nfs/dbraw/zinc/58/38/23/1050583823.db2.gz QYXODWUROIFVAT-UHFFFAOYSA-N 2 2 300.365 4.099 20 0 DIADLP CC1=CC[C@H]([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000788703887 1050730855 /nfs/dbraw/zinc/73/08/55/1050730855.db2.gz OHORZEDWSPHTSU-KRWDZBQOSA-N 2 2 313.489 4.128 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCC(F)(F)CC1 ZINC000788989050 1050773541 /nfs/dbraw/zinc/77/35/41/1050773541.db2.gz UMFNPTGFCYFGBK-ZFWWWQNUSA-N 2 2 313.436 4.101 20 0 DIADLP CCOc1cccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000742392855 1050829075 /nfs/dbraw/zinc/82/90/75/1050829075.db2.gz UBDFIEBGFGLHFG-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP COc1ccc(C)cc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392804 1050829474 /nfs/dbraw/zinc/82/94/74/1050829474.db2.gz SJBCSWNLEUVJSY-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392566 1050830054 /nfs/dbraw/zinc/83/00/54/1050830054.db2.gz QVFMFJAGIZQYIC-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@H]1CC[C@@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001170144189 1050995244 /nfs/dbraw/zinc/99/52/44/1050995244.db2.gz FGPFJEOZHZZSQV-KBXCAEBGSA-N 2 2 321.424 4.182 20 0 DIADLP C[C@@H]1CC[C@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151341 1051038671 /nfs/dbraw/zinc/03/86/71/1051038671.db2.gz QSNYXMYPZQHOTE-MTNDGHDBSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]1CC[C@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151341 1051038680 /nfs/dbraw/zinc/03/86/80/1051038680.db2.gz QSNYXMYPZQHOTE-MTNDGHDBSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]1CC[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151341 1051038688 /nfs/dbraw/zinc/03/86/88/1051038688.db2.gz QSNYXMYPZQHOTE-MTNDGHDBSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]1CC[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151341 1051038697 /nfs/dbraw/zinc/03/86/97/1051038697.db2.gz QSNYXMYPZQHOTE-MTNDGHDBSA-N 2 2 314.517 4.070 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156023 1051113292 /nfs/dbraw/zinc/11/32/92/1051113292.db2.gz MNZWDBBDTUGMPQ-CJNGLKHVSA-N 2 2 305.491 4.327 20 0 DIADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001170267031 1051169348 /nfs/dbraw/zinc/16/93/48/1051169348.db2.gz SSPHWCDBWWOBQI-MRXNPFEDSA-N 2 2 320.908 4.221 20 0 DIADLP COc1cccc(F)c1[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624772 1051179765 /nfs/dbraw/zinc/17/97/65/1051179765.db2.gz XBNFCTIUWIBBCP-ZDUSSCGKSA-N 2 2 322.468 4.136 20 0 DIADLP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682925 1051194654 /nfs/dbraw/zinc/19/46/54/1051194654.db2.gz YRLIVJFLYDWMFY-AZUAARDMSA-N 2 2 324.468 4.173 20 0 DIADLP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001171682925 1051194659 /nfs/dbraw/zinc/19/46/59/1051194659.db2.gz YRLIVJFLYDWMFY-AZUAARDMSA-N 2 2 324.468 4.173 20 0 DIADLP C[N@H+](Cc1cccc(F)c1F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642214 1051196808 /nfs/dbraw/zinc/19/68/08/1051196808.db2.gz ZHTHDTSOUVNIGR-UHFFFAOYSA-N 2 2 310.432 4.048 20 0 DIADLP C[N@@H+](Cc1cccc(F)c1F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642214 1051196811 /nfs/dbraw/zinc/19/68/11/1051196811.db2.gz ZHTHDTSOUVNIGR-UHFFFAOYSA-N 2 2 310.432 4.048 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326383 1051241382 /nfs/dbraw/zinc/24/13/82/1051241382.db2.gz PCCZYDCNXKIBNR-OXQOHEQNSA-N 2 2 317.436 4.080 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766326382 1051242068 /nfs/dbraw/zinc/24/20/68/1051242068.db2.gz PCCZYDCNXKIBNR-OXJNMPFZSA-N 2 2 317.436 4.080 20 0 DIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C2 ZINC001172101246 1051281578 /nfs/dbraw/zinc/28/15/78/1051281578.db2.gz XLNIOMLIRMDAMR-XYYAHUGASA-N 2 2 313.272 4.098 20 0 DIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C2 ZINC001172101246 1051281591 /nfs/dbraw/zinc/28/15/91/1051281591.db2.gz XLNIOMLIRMDAMR-XYYAHUGASA-N 2 2 313.272 4.098 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001215743474 1051337157 /nfs/dbraw/zinc/33/71/57/1051337157.db2.gz ABLRHUAHVVKFNE-UHFFFAOYSA-N 2 2 324.472 4.171 20 0 DIADLP Cc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1[NH+](C)C ZINC001170453831 1051431183 /nfs/dbraw/zinc/43/11/83/1051431183.db2.gz LZCDEFWHBFDCNC-UHFFFAOYSA-N 2 2 303.494 4.124 20 0 DIADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552114 1051435773 /nfs/dbraw/zinc/43/57/73/1051435773.db2.gz DBEQHHZQPNRPJS-RLLQIKCJSA-N 2 2 300.490 4.033 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([NH+]3CCC(Oc4cc[nH+]cc4)CC3)C2)cc1 ZINC001172564420 1051442137 /nfs/dbraw/zinc/44/21/37/1051442137.db2.gz VYQCFAWVQCKTSS-RTBURBONSA-N 2 2 322.452 4.261 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565816 1051444904 /nfs/dbraw/zinc/44/49/04/1051444904.db2.gz OLHHBIXDGWDYTN-VAMGGRTRSA-N 2 2 322.452 4.179 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565816 1051444913 /nfs/dbraw/zinc/44/49/13/1051444913.db2.gz OLHHBIXDGWDYTN-VAMGGRTRSA-N 2 2 322.452 4.179 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001168932873 1051469597 /nfs/dbraw/zinc/46/95/97/1051469597.db2.gz MWJIHYQGUCXRSF-UHFFFAOYSA-N 2 2 309.457 4.359 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001168932873 1051469604 /nfs/dbraw/zinc/46/96/04/1051469604.db2.gz MWJIHYQGUCXRSF-UHFFFAOYSA-N 2 2 309.457 4.359 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172730256 1051488412 /nfs/dbraw/zinc/48/84/12/1051488412.db2.gz AXJWGLFJJMTTDN-SFHVURJKSA-N 2 2 314.473 4.346 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172730256 1051488415 /nfs/dbraw/zinc/48/84/15/1051488415.db2.gz AXJWGLFJJMTTDN-SFHVURJKSA-N 2 2 314.473 4.346 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082325 1051513617 /nfs/dbraw/zinc/51/36/17/1051513617.db2.gz YPCWHCBCOFXWAV-DOERSZECSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082325 1051513629 /nfs/dbraw/zinc/51/36/29/1051513629.db2.gz YPCWHCBCOFXWAV-DOERSZECSA-N 2 2 313.272 4.269 20 0 DIADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001169086964 1051520558 /nfs/dbraw/zinc/52/05/58/1051520558.db2.gz ZKLURWPRXKLTOP-NRFANRHFSA-N 2 2 316.533 4.448 20 0 DIADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001169086964 1051520569 /nfs/dbraw/zinc/52/05/69/1051520569.db2.gz ZKLURWPRXKLTOP-NRFANRHFSA-N 2 2 316.533 4.448 20 0 DIADLP CC1(C)C[C@@H](Nc2cc(-c3ccncc3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169138288 1051528233 /nfs/dbraw/zinc/52/82/33/1051528233.db2.gz PJNZBPOSZFWDIG-YLJYHZDGSA-N 2 2 324.472 4.099 20 0 DIADLP Cc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1[NH+](C)C ZINC001169150087 1051535809 /nfs/dbraw/zinc/53/58/09/1051535809.db2.gz ASBVLQRZFUMLCW-LPHOPBHVSA-N 2 2 303.494 4.017 20 0 DIADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172848067 1051536148 /nfs/dbraw/zinc/53/61/48/1051536148.db2.gz POFCHDSRLYODHL-ZIAGYGMSSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172848067 1051536158 /nfs/dbraw/zinc/53/61/58/1051536158.db2.gz POFCHDSRLYODHL-ZIAGYGMSSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172848066 1051537184 /nfs/dbraw/zinc/53/71/84/1051537184.db2.gz POFCHDSRLYODHL-UONOGXRCSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172848066 1051537197 /nfs/dbraw/zinc/53/71/97/1051537197.db2.gz POFCHDSRLYODHL-UONOGXRCSA-N 2 2 324.871 4.017 20 0 DIADLP Cn1c[nH+]c2cc(Nc3ccc(C4CC[NH+](C)CC4)cc3)ccc21 ZINC001212690432 1051549496 /nfs/dbraw/zinc/54/94/96/1051549496.db2.gz JSVUEHVPMKBWBY-UHFFFAOYSA-N 2 2 320.440 4.126 20 0 DIADLP Cc1[nH+]cn(C2CCC3(CCCCC3)CC2)c1CSCC[NH3+] ZINC001173115627 1051612052 /nfs/dbraw/zinc/61/20/52/1051612052.db2.gz HIBPSUSYYGSJHP-UHFFFAOYSA-N 2 2 321.534 4.449 20 0 DIADLP CC[N@H+](C)c1ccc(Nc2cccc(C[NH+](C)C)c2F)cc1 ZINC001216231947 1051640336 /nfs/dbraw/zinc/64/03/36/1051640336.db2.gz KNYOEYRGTKXERV-UHFFFAOYSA-N 2 2 301.409 4.087 20 0 DIADLP CC[N@@H+](C)c1ccc(Nc2cccc(C[NH+](C)C)c2F)cc1 ZINC001216231947 1051640341 /nfs/dbraw/zinc/64/03/41/1051640341.db2.gz KNYOEYRGTKXERV-UHFFFAOYSA-N 2 2 301.409 4.087 20 0 DIADLP Cc1cc[nH+]c2cc(Nc3cccc(C[NH+](C)C)c3F)ccc12 ZINC001216231498 1051640376 /nfs/dbraw/zinc/64/03/76/1051640376.db2.gz BLRPPXVPXRTXHF-UHFFFAOYSA-N 2 2 309.388 4.488 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC001173207223 1051645431 /nfs/dbraw/zinc/64/54/31/1051645431.db2.gz DGZSKLIRCQXQTM-SFHVURJKSA-N 2 2 319.452 4.083 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC001173207222 1051645463 /nfs/dbraw/zinc/64/54/63/1051645463.db2.gz DGZSKLIRCQXQTM-GOSISDBHSA-N 2 2 319.452 4.083 20 0 DIADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173272212 1051669412 /nfs/dbraw/zinc/66/94/12/1051669412.db2.gz IZALUWHRDIUSNB-LPHOPBHVSA-N 2 2 318.480 4.267 20 0 DIADLP CCSC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001173298053 1051680505 /nfs/dbraw/zinc/68/05/05/1051680505.db2.gz JEHPKXONSFVRFE-AYOQOUSVSA-N 2 2 314.498 4.159 20 0 DIADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173276902 1051685956 /nfs/dbraw/zinc/68/59/56/1051685956.db2.gz WNZXYEIKTBTKHU-JXFKEZNVSA-N 2 2 318.480 4.267 20 0 DIADLP CCc1cccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189897890 1051931236 /nfs/dbraw/zinc/93/12/36/1051931236.db2.gz NCIGKBGJLFOLQA-MRXNPFEDSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000192157750 1052001129 /nfs/dbraw/zinc/00/11/29/1052001129.db2.gz DBOZVIUGYJUNCF-UHFFFAOYSA-N 2 2 323.415 4.345 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccs1 ZINC000192176720 1052002633 /nfs/dbraw/zinc/00/26/33/1052002633.db2.gz LXJJENXXTXSFSB-KRWDZBQOSA-N 2 2 311.454 4.483 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000769408091 1052041759 /nfs/dbraw/zinc/04/17/59/1052041759.db2.gz RSFUFFSRCCRDTF-ZFWWWQNUSA-N 2 2 320.506 4.229 20 0 DIADLP Cc1cc([NH+]2CCCCC2)ccc1Nc1ccc2[nH+]ccn2c1 ZINC001174280126 1052066706 /nfs/dbraw/zinc/06/67/06/1052066706.db2.gz QSHGIZVSDPPUKO-UHFFFAOYSA-N 2 2 306.413 4.377 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccccc3C[NH+](C)C)ccc21 ZINC001174383776 1052143446 /nfs/dbraw/zinc/14/34/46/1052143446.db2.gz UCWIYLLOFAWSJX-UHFFFAOYSA-N 2 2 308.429 4.422 20 0 DIADLP Cc1ccccc1[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000494940809 1052179459 /nfs/dbraw/zinc/17/94/59/1052179459.db2.gz NFYAQHNJGVOBNM-YLJYHZDGSA-N 2 2 309.457 4.027 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000236623208 1052429207 /nfs/dbraw/zinc/42/92/07/1052429207.db2.gz XXBFPCSHXQEMFK-ZWKOTPCHSA-N 2 2 315.505 4.245 20 0 DIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000236767209 1052430527 /nfs/dbraw/zinc/43/05/27/1052430527.db2.gz OOTOUOAECJZTNQ-UHFFFAOYSA-N 2 2 312.457 4.301 20 0 DIADLP C[C@H](CC[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000237465345 1052442084 /nfs/dbraw/zinc/44/20/84/1052442084.db2.gz DTUUWSUWMJRICF-QGZVFWFLSA-N 2 2 305.425 4.156 20 0 DIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000237664984 1052444540 /nfs/dbraw/zinc/44/45/40/1052444540.db2.gz ARZANQHRJFCEJI-HNAYVOBHSA-N 2 2 316.489 4.147 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222356045 1052489765 /nfs/dbraw/zinc/48/97/65/1052489765.db2.gz WLQVKCFUKAMGJO-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222356045 1052489769 /nfs/dbraw/zinc/48/97/69/1052489769.db2.gz WLQVKCFUKAMGJO-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1csc2sc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c(C)c12 ZINC001222353705 1052489985 /nfs/dbraw/zinc/48/99/85/1052489985.db2.gz FQWCQASTJRPVCR-KRWDZBQOSA-N 2 2 320.527 4.298 20 0 DIADLP Cc1csc2sc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c(C)c12 ZINC001222353705 1052489990 /nfs/dbraw/zinc/48/99/90/1052489990.db2.gz FQWCQASTJRPVCR-KRWDZBQOSA-N 2 2 320.527 4.298 20 0 DIADLP c1cc2c(cccc2C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)s1 ZINC001222396809 1052496404 /nfs/dbraw/zinc/49/64/04/1052496404.db2.gz VXZYZCXHGZYGHN-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)s1 ZINC001222396809 1052496405 /nfs/dbraw/zinc/49/64/05/1052496405.db2.gz VXZYZCXHGZYGHN-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1cc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)cs1 ZINC001222426860 1052499042 /nfs/dbraw/zinc/49/90/42/1052499042.db2.gz IWRJRFYDYNGLNH-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)cs1 ZINC001222426860 1052499045 /nfs/dbraw/zinc/49/90/45/1052499045.db2.gz IWRJRFYDYNGLNH-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP Cc1cc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC001223423379 1052600415 /nfs/dbraw/zinc/60/04/15/1052600415.db2.gz CKEIECXCYQMOTA-IIBYNOLFSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC001223423379 1052600416 /nfs/dbraw/zinc/60/04/16/1052600416.db2.gz CKEIECXCYQMOTA-IIBYNOLFSA-N 2 2 324.468 4.126 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1Cl ZINC000037140861 1052605393 /nfs/dbraw/zinc/60/53/93/1052605393.db2.gz HVDBWJPVSIOHJY-NSHDSACASA-N 2 2 313.272 4.271 20 0 DIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000037644554 1052627934 /nfs/dbraw/zinc/62/79/34/1052627934.db2.gz NEFRTTQGSWXNHR-QWRGUYRKSA-N 2 2 319.251 4.125 20 0 DIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000037644554 1052627936 /nfs/dbraw/zinc/62/79/36/1052627936.db2.gz NEFRTTQGSWXNHR-QWRGUYRKSA-N 2 2 319.251 4.125 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000037786338 1052629179 /nfs/dbraw/zinc/62/91/79/1052629179.db2.gz OSMNYELHEUBNBY-UHFFFAOYSA-N 2 2 315.288 4.346 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cncs1 ZINC000125092119 1052645437 /nfs/dbraw/zinc/64/54/37/1052645437.db2.gz QRPASJJLNKDLEM-CABCVRRESA-N 2 2 315.486 4.019 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000126896619 1052684739 /nfs/dbraw/zinc/68/47/39/1052684739.db2.gz NELVMYJBOVOOGL-CVEARBPZSA-N 2 2 318.486 4.212 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000126896619 1052684742 /nfs/dbraw/zinc/68/47/42/1052684742.db2.gz NELVMYJBOVOOGL-CVEARBPZSA-N 2 2 318.486 4.212 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001227263091 1052977165 /nfs/dbraw/zinc/97/71/65/1052977165.db2.gz BXJJICXQYGXAFD-IBGZPJMESA-N 2 2 324.468 4.378 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001227263091 1052977167 /nfs/dbraw/zinc/97/71/67/1052977167.db2.gz BXJJICXQYGXAFD-IBGZPJMESA-N 2 2 324.468 4.378 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000078704471 1052987505 /nfs/dbraw/zinc/98/75/05/1052987505.db2.gz WJIHNTYPMPQYHR-SQNIBIBYSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000078704471 1052987508 /nfs/dbraw/zinc/98/75/08/1052987508.db2.gz WJIHNTYPMPQYHR-SQNIBIBYSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000078704471 1052987511 /nfs/dbraw/zinc/98/75/11/1052987511.db2.gz WJIHNTYPMPQYHR-SQNIBIBYSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000078704471 1052987513 /nfs/dbraw/zinc/98/75/13/1052987513.db2.gz WJIHNTYPMPQYHR-SQNIBIBYSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CCC1 ZINC000179955652 1053037510 /nfs/dbraw/zinc/03/75/10/1053037510.db2.gz TXITVGSDADRKFU-INIZCTEOSA-N 2 2 315.505 4.065 20 0 DIADLP Clc1sc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c2ccccc12 ZINC001228556348 1053134425 /nfs/dbraw/zinc/13/44/25/1053134425.db2.gz OLDAZKVPLJXCHX-UHFFFAOYSA-N 2 2 320.889 4.273 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956740 1053196694 /nfs/dbraw/zinc/19/66/94/1053196694.db2.gz JHIQKOJAHVNKSM-UBHSHLNASA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956740 1053196700 /nfs/dbraw/zinc/19/67/00/1053196700.db2.gz JHIQKOJAHVNKSM-UBHSHLNASA-N 2 2 313.272 4.271 20 0 DIADLP CC[NH+](CC)C1CC[NH+](CCSc2ccc(C)c(C)c2)CC1 ZINC001319311918 1053233955 /nfs/dbraw/zinc/23/39/55/1053233955.db2.gz CKVAGIZMPFABNB-UHFFFAOYSA-N 2 2 320.546 4.202 20 0 DIADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383066 1053238893 /nfs/dbraw/zinc/23/88/93/1053238893.db2.gz IZBZPEINSOWNCI-GHMZBOCLSA-N 2 2 321.317 4.437 20 0 DIADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383066 1053238905 /nfs/dbraw/zinc/23/89/05/1053238905.db2.gz IZBZPEINSOWNCI-GHMZBOCLSA-N 2 2 321.317 4.437 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000091306987 1053257877 /nfs/dbraw/zinc/25/78/77/1053257877.db2.gz GYZCUXRDAXCXJC-FQEVSTJZSA-N 2 2 305.425 4.359 20 0 DIADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC001320885572 1053372383 /nfs/dbraw/zinc/37/23/83/1053372383.db2.gz OPBVEZCCQRFVJH-UHFFFAOYSA-N 2 2 303.475 4.382 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318401 1053384742 /nfs/dbraw/zinc/38/47/42/1053384742.db2.gz YOPFGIXJCQNNOS-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318401 1053384760 /nfs/dbraw/zinc/38/47/60/1053384760.db2.gz YOPFGIXJCQNNOS-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318401 1053384768 /nfs/dbraw/zinc/38/47/68/1053384768.db2.gz YOPFGIXJCQNNOS-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318401 1053384783 /nfs/dbraw/zinc/38/47/83/1053384783.db2.gz YOPFGIXJCQNNOS-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000620434932 1053662082 /nfs/dbraw/zinc/66/20/82/1053662082.db2.gz KZMVYNHRIPPYEW-OAQYLSRUSA-N 2 2 323.484 4.028 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000620434932 1053662087 /nfs/dbraw/zinc/66/20/87/1053662087.db2.gz KZMVYNHRIPPYEW-OAQYLSRUSA-N 2 2 323.484 4.028 20 0 DIADLP C[NH+](C)CC[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC001231080423 1053669878 /nfs/dbraw/zinc/66/98/78/1053669878.db2.gz CVQKUSWYVBJRGP-LJQANCHMSA-N 2 2 321.424 4.149 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C/C(Cl)=C/Cl)cc1 ZINC000183673437 1053723095 /nfs/dbraw/zinc/72/30/95/1053723095.db2.gz OEQCWORAGRIVJE-RLIURORJSA-N 2 2 310.228 4.150 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154547574 1053740695 /nfs/dbraw/zinc/74/06/95/1053740695.db2.gz GDWHENOSMGIDIA-VQIMIIECSA-N 2 2 324.468 4.107 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154547574 1053740707 /nfs/dbraw/zinc/74/07/07/1053740707.db2.gz GDWHENOSMGIDIA-VQIMIIECSA-N 2 2 324.468 4.107 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154547330 1053741300 /nfs/dbraw/zinc/74/13/00/1053741300.db2.gz GDWHENOSMGIDIA-APWZRJJASA-N 2 2 324.468 4.107 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154547330 1053741308 /nfs/dbraw/zinc/74/13/08/1053741308.db2.gz GDWHENOSMGIDIA-APWZRJJASA-N 2 2 324.468 4.107 20 0 DIADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1Cl ZINC001231425573 1053748599 /nfs/dbraw/zinc/74/85/99/1053748599.db2.gz SHTKJEGYBPWSKW-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1Cl ZINC001231425573 1053748606 /nfs/dbraw/zinc/74/86/06/1053748606.db2.gz SHTKJEGYBPWSKW-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP CC[N@H+](Cc1ccc(-c2cccs2)cc1)C1CC[NH+](C)CC1 ZINC001231432079 1053752910 /nfs/dbraw/zinc/75/29/10/1053752910.db2.gz IGDIZZLKKUGLPF-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@@H+](Cc1ccc(-c2cccs2)cc1)C1CC[NH+](C)CC1 ZINC001231432079 1053752913 /nfs/dbraw/zinc/75/29/13/1053752913.db2.gz IGDIZZLKKUGLPF-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268701160 1053765970 /nfs/dbraw/zinc/76/59/70/1053765970.db2.gz FRBZBODSHNCXKW-FOIQADDNSA-N 2 2 303.409 4.210 20 0 DIADLP CCc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001231502953 1053771748 /nfs/dbraw/zinc/77/17/48/1053771748.db2.gz GNDAWGYYCVBVPQ-UHFFFAOYSA-N 2 2 311.454 4.128 20 0 DIADLP CCc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001231502953 1053771759 /nfs/dbraw/zinc/77/17/59/1053771759.db2.gz GNDAWGYYCVBVPQ-UHFFFAOYSA-N 2 2 311.454 4.128 20 0 DIADLP CC[N@H+](Cc1cccc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001231509764 1053774508 /nfs/dbraw/zinc/77/45/08/1053774508.db2.gz DXEBIVTZBUJMFB-UHFFFAOYSA-N 2 2 308.469 4.270 20 0 DIADLP CC[N@@H+](Cc1cccc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001231509764 1053774514 /nfs/dbraw/zinc/77/45/14/1053774514.db2.gz DXEBIVTZBUJMFB-UHFFFAOYSA-N 2 2 308.469 4.270 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000155698940 1053784442 /nfs/dbraw/zinc/78/44/42/1053784442.db2.gz PIEIIASSFUHBAH-CYBMUJFWSA-N 2 2 315.417 4.102 20 0 DIADLP CC[N@H+](Cc1cc(C(C)C)c(OC)cc1C)C1CC[NH+](C)CC1 ZINC001231625827 1053806053 /nfs/dbraw/zinc/80/60/53/1053806053.db2.gz DKSTUDOAUWVCJN-UHFFFAOYSA-N 2 2 318.505 4.043 20 0 DIADLP CC[N@@H+](Cc1cc(C(C)C)c(OC)cc1C)C1CC[NH+](C)CC1 ZINC001231625827 1053806073 /nfs/dbraw/zinc/80/60/73/1053806073.db2.gz DKSTUDOAUWVCJN-UHFFFAOYSA-N 2 2 318.505 4.043 20 0 DIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccncc2)CCCC1)c1ccccc1 ZINC000156683453 1053822417 /nfs/dbraw/zinc/82/24/17/1053822417.db2.gz YPCQQEOUCFTUKP-ZWKOTPCHSA-N 2 2 323.484 4.396 20 0 DIADLP Cc1cccc(C(C)(C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000621056133 1053842012 /nfs/dbraw/zinc/84/20/12/1053842012.db2.gz WSQIWSIUZBJBHW-UHFFFAOYSA-N 2 2 319.452 4.248 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001231780168 1053855833 /nfs/dbraw/zinc/85/58/33/1053855833.db2.gz LXOGIMNYRCELRW-UHFFFAOYSA-N 2 2 300.490 4.089 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001231809222 1053867173 /nfs/dbraw/zinc/86/71/73/1053867173.db2.gz JDJVKIQINAISER-DENIHFKCSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001231809222 1053867191 /nfs/dbraw/zinc/86/71/91/1053867191.db2.gz JDJVKIQINAISER-DENIHFKCSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231809222 1053867209 /nfs/dbraw/zinc/86/72/09/1053867209.db2.gz JDJVKIQINAISER-DENIHFKCSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231809222 1053867222 /nfs/dbraw/zinc/86/72/22/1053867222.db2.gz JDJVKIQINAISER-DENIHFKCSA-N 2 2 320.480 4.188 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001231813608 1053871504 /nfs/dbraw/zinc/87/15/04/1053871504.db2.gz NGFWFFIIQPKKGA-UHFFFAOYSA-N 2 2 324.468 4.397 20 0 DIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763653367 1053944943 /nfs/dbraw/zinc/94/49/43/1053944943.db2.gz ZXFXUCUZGGWZBC-AOHITCTBSA-N 2 2 319.320 4.282 20 0 DIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763653367 1053944953 /nfs/dbraw/zinc/94/49/53/1053944953.db2.gz ZXFXUCUZGGWZBC-AOHITCTBSA-N 2 2 319.320 4.282 20 0 DIADLP Cc1ccc(OC(C)C)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001232399398 1054040474 /nfs/dbraw/zinc/04/04/74/1054040474.db2.gz LVKMVTPJFKJACV-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP Cc1ccc(OC(C)C)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001232399398 1054040483 /nfs/dbraw/zinc/04/04/83/1054040483.db2.gz LVKMVTPJFKJACV-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2OC)CC1 ZINC001232502060 1054058929 /nfs/dbraw/zinc/05/89/29/1054058929.db2.gz LVJSYHLMZAYLPL-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2OC)CC1 ZINC001232502060 1054058940 /nfs/dbraw/zinc/05/89/40/1054058940.db2.gz LVJSYHLMZAYLPL-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP c1cn(CCCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000324548392 1054065416 /nfs/dbraw/zinc/06/54/16/1054065416.db2.gz UGHKPURNZNIFAY-NRFANRHFSA-N 2 2 319.452 4.237 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000165010576 1054068009 /nfs/dbraw/zinc/06/80/09/1054068009.db2.gz NCFHAHKTISBUFU-DAYGRLMNSA-N 2 2 318.486 4.383 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000165010576 1054068012 /nfs/dbraw/zinc/06/80/12/1054068012.db2.gz NCFHAHKTISBUFU-DAYGRLMNSA-N 2 2 318.486 4.383 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1Cl ZINC000296050804 1054084426 /nfs/dbraw/zinc/08/44/26/1054084426.db2.gz VCGTYHUEDVLBQQ-WODVXLOZSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1Cl ZINC000296050804 1054084433 /nfs/dbraw/zinc/08/44/33/1054084433.db2.gz VCGTYHUEDVLBQQ-WODVXLOZSA-N 2 2 313.272 4.269 20 0 DIADLP CSc1cccc(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001233353492 1054248178 /nfs/dbraw/zinc/24/81/78/1054248178.db2.gz YDRFMGRPZFGULA-UHFFFAOYSA-N 2 2 321.877 4.096 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651645 1054511454 /nfs/dbraw/zinc/51/14/54/1054511454.db2.gz YCLZTRNTBNAXKZ-DOXZYTNZSA-N 2 2 321.424 4.440 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651657 1054511921 /nfs/dbraw/zinc/51/19/21/1054511921.db2.gz YCLZTRNTBNAXKZ-ZRGWGRIASA-N 2 2 321.424 4.440 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)c1ccccc1 ZINC000671309208 1054550293 /nfs/dbraw/zinc/55/02/93/1054550293.db2.gz JPENVGPTVLIXSJ-UHFFFAOYSA-N 2 2 311.454 4.301 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)c1ccccc1 ZINC000671309208 1054550303 /nfs/dbraw/zinc/55/03/03/1054550303.db2.gz JPENVGPTVLIXSJ-UHFFFAOYSA-N 2 2 311.454 4.301 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)[nH+]1 ZINC001347792904 1054583990 /nfs/dbraw/zinc/58/39/90/1054583990.db2.gz FGLHEYNOWSDHNM-QGZVFWFLSA-N 2 2 315.848 4.120 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)[nH+]1 ZINC001347792904 1054584003 /nfs/dbraw/zinc/58/40/03/1054584003.db2.gz FGLHEYNOWSDHNM-QGZVFWFLSA-N 2 2 315.848 4.120 20 0 DIADLP Fc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001235114205 1054658722 /nfs/dbraw/zinc/65/87/22/1054658722.db2.gz BIZTXZCIGLPRPT-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2cccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001235114205 1054658729 /nfs/dbraw/zinc/65/87/29/1054658729.db2.gz BIZTXZCIGLPRPT-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235181195 1054675043 /nfs/dbraw/zinc/67/50/43/1054675043.db2.gz ZVKIWFNDCFRWRG-FQEVSTJZSA-N 2 2 310.441 4.055 20 0 DIADLP c1cc(-c2ccccc2)oc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235181195 1054675050 /nfs/dbraw/zinc/67/50/50/1054675050.db2.gz ZVKIWFNDCFRWRG-FQEVSTJZSA-N 2 2 310.441 4.055 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001235189503 1054682043 /nfs/dbraw/zinc/68/20/43/1054682043.db2.gz QYDOUOJXNPOKBY-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001235189503 1054682049 /nfs/dbraw/zinc/68/20/49/1054682049.db2.gz QYDOUOJXNPOKBY-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CCCCN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362758 1054708660 /nfs/dbraw/zinc/70/86/60/1054708660.db2.gz MNNRWUYNUKIQEX-IBGZPJMESA-N 2 2 323.484 4.158 20 0 DIADLP CCCCN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362758 1054708674 /nfs/dbraw/zinc/70/86/74/1054708674.db2.gz MNNRWUYNUKIQEX-IBGZPJMESA-N 2 2 323.484 4.158 20 0 DIADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235591567 1054747265 /nfs/dbraw/zinc/74/72/65/1054747265.db2.gz LQQURADIRNYITN-UHFFFAOYSA-N 2 2 309.668 4.030 20 0 DIADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC001235591567 1054747279 /nfs/dbraw/zinc/74/72/79/1054747279.db2.gz LQQURADIRNYITN-UHFFFAOYSA-N 2 2 309.668 4.030 20 0 DIADLP C[NH2+]CC1CC[NH+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001235679637 1054774882 /nfs/dbraw/zinc/77/48/82/1054774882.db2.gz VRQABZBBZVFONN-UHFFFAOYSA-N 2 2 321.679 4.078 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC001235726952 1054793269 /nfs/dbraw/zinc/79/32/69/1054793269.db2.gz SKAGJYNBCGYTCX-UHFFFAOYSA-N 2 2 310.441 4.053 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235839973 1054819974 /nfs/dbraw/zinc/81/99/74/1054819974.db2.gz DWLZICYLBYAQAO-HNNXBMFYSA-N 2 2 314.860 4.048 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235839973 1054819987 /nfs/dbraw/zinc/81/99/87/1054819987.db2.gz DWLZICYLBYAQAO-HNNXBMFYSA-N 2 2 314.860 4.048 20 0 DIADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891423 1054832171 /nfs/dbraw/zinc/83/21/71/1054832171.db2.gz IFORZDILISWURS-ZFWWWQNUSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891423 1054832184 /nfs/dbraw/zinc/83/21/84/1054832184.db2.gz IFORZDILISWURS-ZFWWWQNUSA-N 2 2 310.466 4.366 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235903729 1054840135 /nfs/dbraw/zinc/84/01/35/1054840135.db2.gz IYMXEJLXYIIRBO-PXNSSMCTSA-N 2 2 308.469 4.282 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235903729 1054840150 /nfs/dbraw/zinc/84/01/50/1054840150.db2.gz IYMXEJLXYIIRBO-PXNSSMCTSA-N 2 2 308.469 4.282 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235903728 1054840293 /nfs/dbraw/zinc/84/02/93/1054840293.db2.gz IYMXEJLXYIIRBO-FXAWDEMLSA-N 2 2 308.469 4.282 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235903728 1054840304 /nfs/dbraw/zinc/84/03/04/1054840304.db2.gz IYMXEJLXYIIRBO-FXAWDEMLSA-N 2 2 308.469 4.282 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)ccc21 ZINC001235907672 1054844552 /nfs/dbraw/zinc/84/45/52/1054844552.db2.gz SBMREKBGUZPOJZ-NVXWUHKLSA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)ccc21 ZINC001235907672 1054844555 /nfs/dbraw/zinc/84/45/55/1054844555.db2.gz SBMREKBGUZPOJZ-NVXWUHKLSA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)ccc21 ZINC001235907673 1054845009 /nfs/dbraw/zinc/84/50/09/1054845009.db2.gz SBMREKBGUZPOJZ-RDJZCZTQSA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)ccc21 ZINC001235907673 1054845023 /nfs/dbraw/zinc/84/50/23/1054845023.db2.gz SBMREKBGUZPOJZ-RDJZCZTQSA-N 2 2 321.468 4.126 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235927298 1054851537 /nfs/dbraw/zinc/85/15/37/1054851537.db2.gz GVNKQKBUJXEVIZ-IBGZPJMESA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235927298 1054851546 /nfs/dbraw/zinc/85/15/46/1054851546.db2.gz GVNKQKBUJXEVIZ-IBGZPJMESA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001235948830 1054865031 /nfs/dbraw/zinc/86/50/31/1054865031.db2.gz SOSPIKUJPWJJDT-UHFFFAOYSA-N 2 2 319.452 4.071 20 0 DIADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001235948830 1054865045 /nfs/dbraw/zinc/86/50/45/1054865045.db2.gz SOSPIKUJPWJJDT-UHFFFAOYSA-N 2 2 319.452 4.071 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077852 1054873134 /nfs/dbraw/zinc/87/31/34/1054873134.db2.gz FEHOICNYAVQAGE-DZGCQCFKSA-N 2 2 306.416 4.104 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077852 1054873150 /nfs/dbraw/zinc/87/31/50/1054873150.db2.gz FEHOICNYAVQAGE-DZGCQCFKSA-N 2 2 306.416 4.104 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077855 1054873387 /nfs/dbraw/zinc/87/33/87/1054873387.db2.gz FEHOICNYAVQAGE-ZFWWWQNUSA-N 2 2 306.416 4.104 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077855 1054873400 /nfs/dbraw/zinc/87/34/00/1054873400.db2.gz FEHOICNYAVQAGE-ZFWWWQNUSA-N 2 2 306.416 4.104 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077853 1054874090 /nfs/dbraw/zinc/87/40/90/1054874090.db2.gz FEHOICNYAVQAGE-HIFRSBDPSA-N 2 2 306.416 4.104 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077853 1054874100 /nfs/dbraw/zinc/87/41/00/1054874100.db2.gz FEHOICNYAVQAGE-HIFRSBDPSA-N 2 2 306.416 4.104 20 0 DIADLP Fc1c(C[NH+]2CCCCC2)cccc1-c1cc2[nH]ccc2c[nH+]1 ZINC001236001738 1054889515 /nfs/dbraw/zinc/88/95/15/1054889515.db2.gz AJIKIQSXCXIGNC-UHFFFAOYSA-N 2 2 309.388 4.355 20 0 DIADLP CC[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236004534 1054890664 /nfs/dbraw/zinc/89/06/64/1054890664.db2.gz DUEIRVYCKRPDKT-HNNXBMFYSA-N 2 2 313.489 4.039 20 0 DIADLP CC[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001236004534 1054890674 /nfs/dbraw/zinc/89/06/74/1054890674.db2.gz DUEIRVYCKRPDKT-HNNXBMFYSA-N 2 2 313.489 4.039 20 0 DIADLP Cc1c(-c2cccc(C[NH+]3CCCCC3)c2F)ccc2[nH+]ccn21 ZINC001236019878 1054901843 /nfs/dbraw/zinc/90/18/43/1054901843.db2.gz VUBVSJPRLOPRIC-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181077319 1054902842 /nfs/dbraw/zinc/90/28/42/1054902842.db2.gz DKBLXOPFDXYTJI-LBPRGKRZSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181077319 1054902852 /nfs/dbraw/zinc/90/28/52/1054902852.db2.gz DKBLXOPFDXYTJI-LBPRGKRZSA-N 2 2 312.244 4.273 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236061226 1054922667 /nfs/dbraw/zinc/92/26/67/1054922667.db2.gz ZIFUSCBTQDMEFL-FPOVZHCZSA-N 2 2 320.480 4.154 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236061226 1054922686 /nfs/dbraw/zinc/92/26/86/1054922686.db2.gz ZIFUSCBTQDMEFL-FPOVZHCZSA-N 2 2 320.480 4.154 20 0 DIADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236190860 1054986828 /nfs/dbraw/zinc/98/68/28/1054986828.db2.gz KPIXZLNXXLTSIF-FQEVSTJZSA-N 2 2 316.408 4.381 20 0 DIADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236190860 1054986838 /nfs/dbraw/zinc/98/68/38/1054986838.db2.gz KPIXZLNXXLTSIF-FQEVSTJZSA-N 2 2 316.408 4.381 20 0 DIADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212439 1055001813 /nfs/dbraw/zinc/00/18/13/1055001813.db2.gz LPRMRIIHHCYSTC-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212439 1055001825 /nfs/dbraw/zinc/00/18/25/1055001825.db2.gz LPRMRIIHHCYSTC-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216978 1055003769 /nfs/dbraw/zinc/00/37/69/1055003769.db2.gz MIVHHYDFZVRCGV-ZIAGYGMSSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216978 1055003783 /nfs/dbraw/zinc/00/37/83/1055003783.db2.gz MIVHHYDFZVRCGV-ZIAGYGMSSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215862 1055004277 /nfs/dbraw/zinc/00/42/77/1055004277.db2.gz YMJGJMFQMAAIKD-IRXDYDNUSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215862 1055004292 /nfs/dbraw/zinc/00/42/92/1055004292.db2.gz YMJGJMFQMAAIKD-IRXDYDNUSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@H+](Cc1cc(-c2ccsc2)cs1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218332 1055005184 /nfs/dbraw/zinc/00/51/84/1055005184.db2.gz SCDSGKHMGJSACD-CVEARBPZSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1cc(-c2ccsc2)cs1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218332 1055005191 /nfs/dbraw/zinc/00/51/91/1055005191.db2.gz SCDSGKHMGJSACD-CVEARBPZSA-N 2 2 306.500 4.178 20 0 DIADLP c1cc(-c2cccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2)cs1 ZINC001236238363 1055026878 /nfs/dbraw/zinc/02/68/78/1055026878.db2.gz CSPOUJWQSDATLK-LJQANCHMSA-N 2 2 312.482 4.132 20 0 DIADLP c1cc(-c2cccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2)cs1 ZINC001236238363 1055026891 /nfs/dbraw/zinc/02/68/91/1055026891.db2.gz CSPOUJWQSDATLK-LJQANCHMSA-N 2 2 312.482 4.132 20 0 DIADLP CCC[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236324365 1055056561 /nfs/dbraw/zinc/05/65/61/1055056561.db2.gz UEKXRBNCIQFLLK-HXUWFJFHSA-N 2 2 312.432 4.067 20 0 DIADLP CCC[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236324365 1055056575 /nfs/dbraw/zinc/05/65/75/1055056575.db2.gz UEKXRBNCIQFLLK-HXUWFJFHSA-N 2 2 312.432 4.067 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2c[nH+]c(C)cc2OC)c1 ZINC001236325445 1055057768 /nfs/dbraw/zinc/05/77/68/1055057768.db2.gz GZVXPZCWNRVTOD-UHFFFAOYSA-N 2 2 302.393 4.047 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2cc(C)c3[nH+]ccn3c2)c1 ZINC001236325779 1055059541 /nfs/dbraw/zinc/05/95/41/1055059541.db2.gz NLEHRWFISWKTTJ-UHFFFAOYSA-N 2 2 311.404 4.291 20 0 DIADLP CCC[N@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC001236330197 1055060254 /nfs/dbraw/zinc/06/02/54/1055060254.db2.gz UDFPZVTYWNTHCN-SFHVURJKSA-N 2 2 312.432 4.067 20 0 DIADLP CCC[N@@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC001236330197 1055060265 /nfs/dbraw/zinc/06/02/65/1055060265.db2.gz UDFPZVTYWNTHCN-SFHVURJKSA-N 2 2 312.432 4.067 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236421019 1055106725 /nfs/dbraw/zinc/10/67/25/1055106725.db2.gz RQRHANMTKSCZNC-PXNSSMCTSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236421019 1055106729 /nfs/dbraw/zinc/10/67/29/1055106729.db2.gz RQRHANMTKSCZNC-PXNSSMCTSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)C[N@H+](Cc1cc2c(cccc2Cl)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236475038 1055133720 /nfs/dbraw/zinc/13/37/20/1055133720.db2.gz VHBGPWVXFNXUSQ-OAHLLOKOSA-N 2 2 319.880 4.031 20 0 DIADLP CC(C)C[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236475038 1055133727 /nfs/dbraw/zinc/13/37/27/1055133727.db2.gz VHBGPWVXFNXUSQ-OAHLLOKOSA-N 2 2 319.880 4.031 20 0 DIADLP CCSc1ccccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236478389 1055137409 /nfs/dbraw/zinc/13/74/09/1055137409.db2.gz GWFOLGVFKAXRPM-QGZVFWFLSA-N 2 2 306.519 4.009 20 0 DIADLP CCSc1ccccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236478389 1055137414 /nfs/dbraw/zinc/13/74/14/1055137414.db2.gz GWFOLGVFKAXRPM-QGZVFWFLSA-N 2 2 306.519 4.009 20 0 DIADLP Cc1csc2sc(C[N@@H+](C(C)C)[C@@H]3CC[NH2+]C3)c(C)c12 ZINC001236530259 1055163440 /nfs/dbraw/zinc/16/34/40/1055163440.db2.gz SCDVSQZSVBBOQN-CYBMUJFWSA-N 2 2 308.516 4.152 20 0 DIADLP Cc1csc2sc(C[N@H+](C(C)C)[C@@H]3CC[NH2+]C3)c(C)c12 ZINC001236530259 1055163445 /nfs/dbraw/zinc/16/34/45/1055163445.db2.gz SCDVSQZSVBBOQN-CYBMUJFWSA-N 2 2 308.516 4.152 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236529552 1055163476 /nfs/dbraw/zinc/16/34/76/1055163476.db2.gz NYMIXSPIZHWMKT-HXUWFJFHSA-N 2 2 312.432 4.065 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236529552 1055163486 /nfs/dbraw/zinc/16/34/86/1055163486.db2.gz NYMIXSPIZHWMKT-HXUWFJFHSA-N 2 2 312.432 4.065 20 0 DIADLP CC(C)[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@H]1CC[NH2+]C1 ZINC001236529391 1055163603 /nfs/dbraw/zinc/16/36/03/1055163603.db2.gz LODZIMLSVNUZSF-INIZCTEOSA-N 2 2 308.425 4.158 20 0 DIADLP CC(C)[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@H]1CC[NH2+]C1 ZINC001236529391 1055163611 /nfs/dbraw/zinc/16/36/11/1055163611.db2.gz LODZIMLSVNUZSF-INIZCTEOSA-N 2 2 308.425 4.158 20 0 DIADLP Clc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001236634702 1055207939 /nfs/dbraw/zinc/20/79/39/1055207939.db2.gz VRFKNOAETOIHRR-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP Clc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001236634702 1055207943 /nfs/dbraw/zinc/20/79/43/1055207943.db2.gz VRFKNOAETOIHRR-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc3sccc32)C1 ZINC001236682822 1055230002 /nfs/dbraw/zinc/23/00/02/1055230002.db2.gz NJIIOPMEJGWZHT-MRXNPFEDSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc3sccc32)C1 ZINC001236682822 1055230019 /nfs/dbraw/zinc/23/00/19/1055230019.db2.gz NJIIOPMEJGWZHT-MRXNPFEDSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000764814713 1055267644 /nfs/dbraw/zinc/26/76/44/1055267644.db2.gz QFCUMXYEPXSONQ-OAQYLSRUSA-N 2 2 317.436 4.017 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001236912665 1055310495 /nfs/dbraw/zinc/31/04/95/1055310495.db2.gz DFURMCZSEBZKGX-GJZGRUSLSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906744 1055311650 /nfs/dbraw/zinc/31/16/50/1055311650.db2.gz MNJOLOKDWMBBTD-JKSUJKDBSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906744 1055311665 /nfs/dbraw/zinc/31/16/65/1055311665.db2.gz MNJOLOKDWMBBTD-JKSUJKDBSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001236915054 1055315336 /nfs/dbraw/zinc/31/53/36/1055315336.db2.gz BDBKFMRCALFJSH-CABCVRRESA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001236915054 1055315348 /nfs/dbraw/zinc/31/53/48/1055315348.db2.gz BDBKFMRCALFJSH-CABCVRRESA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC001236915932 1055315672 /nfs/dbraw/zinc/31/56/72/1055315672.db2.gz IOGXLRGAWZEKHH-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236923996 1055317102 /nfs/dbraw/zinc/31/71/02/1055317102.db2.gz XELKZWBDLYMMIZ-CQSZACIVSA-N 2 2 303.837 4.290 20 0 DIADLP C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236923996 1055317117 /nfs/dbraw/zinc/31/71/17/1055317117.db2.gz XELKZWBDLYMMIZ-CQSZACIVSA-N 2 2 303.837 4.290 20 0 DIADLP C[N@H+](Cc1ccsc1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914912 1055318035 /nfs/dbraw/zinc/31/80/35/1055318035.db2.gz XCMHSFCDMGMQMW-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[N@@H+](Cc1ccsc1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914912 1055318049 /nfs/dbraw/zinc/31/80/49/1055318049.db2.gz XCMHSFCDMGMQMW-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914036 1055318105 /nfs/dbraw/zinc/31/81/05/1055318105.db2.gz LFGWCUYMLHUMLV-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914036 1055318121 /nfs/dbraw/zinc/31/81/21/1055318121.db2.gz LFGWCUYMLHUMLV-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2c(s1)CCC2 ZINC000765248569 1055345131 /nfs/dbraw/zinc/34/51/31/1055345131.db2.gz FQCDLNZCUJPGIK-SUMWQHHRSA-N 2 2 317.502 4.199 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000765249387 1055345855 /nfs/dbraw/zinc/34/58/55/1055345855.db2.gz HYYVNRSPLRVPJS-DOTOQJQBSA-N 2 2 315.461 4.194 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)ccc1F ZINC000765249317 1055346163 /nfs/dbraw/zinc/34/61/63/1055346163.db2.gz GLNTUTFTFAIAKR-IAGOWNOFSA-N 2 2 321.415 4.317 20 0 DIADLP CC(C)[N@H+](Cc1ccccc1OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001237027850 1055346686 /nfs/dbraw/zinc/34/66/86/1055346686.db2.gz KELKGPKWEAPPRD-UHFFFAOYSA-N 2 2 318.505 4.169 20 0 DIADLP CC(C)[N@@H+](Cc1ccccc1OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001237027850 1055346697 /nfs/dbraw/zinc/34/66/97/1055346697.db2.gz KELKGPKWEAPPRD-UHFFFAOYSA-N 2 2 318.505 4.169 20 0 DIADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785432517 1055376424 /nfs/dbraw/zinc/37/64/24/1055376424.db2.gz UQMNONKVUNVWRM-KXBFYZLASA-N 2 2 315.505 4.064 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001237185837 1055396016 /nfs/dbraw/zinc/39/60/16/1055396016.db2.gz RRVAWEQLRGCUSF-IBGZPJMESA-N 2 2 318.420 4.148 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001237185837 1055396030 /nfs/dbraw/zinc/39/60/30/1055396030.db2.gz RRVAWEQLRGCUSF-IBGZPJMESA-N 2 2 318.420 4.148 20 0 DIADLP c1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c2cccccc1-2 ZINC001237192272 1055397492 /nfs/dbraw/zinc/39/74/92/1055397492.db2.gz GMRJOMFEKPVCGU-UHFFFAOYSA-N 2 2 318.420 4.230 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237413143 1055449777 /nfs/dbraw/zinc/44/97/77/1055449777.db2.gz JMMUXBQGNZYYGW-CRAIPNDOSA-N 2 2 306.881 4.037 20 0 DIADLP CC(C)c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237413143 1055449785 /nfs/dbraw/zinc/44/97/85/1055449785.db2.gz JMMUXBQGNZYYGW-CRAIPNDOSA-N 2 2 306.881 4.037 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237413144 1055451464 /nfs/dbraw/zinc/45/14/64/1055451464.db2.gz JMMUXBQGNZYYGW-MAUKXSAKSA-N 2 2 306.881 4.037 20 0 DIADLP CC(C)c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237413144 1055451468 /nfs/dbraw/zinc/45/14/68/1055451468.db2.gz JMMUXBQGNZYYGW-MAUKXSAKSA-N 2 2 306.881 4.037 20 0 DIADLP Cc1cc(CNc2cccc3cc[nH+]cc32)c2c([nH+]1)CCCC2 ZINC001620849479 1055476063 /nfs/dbraw/zinc/47/60/63/1055476063.db2.gz MUUOCJJQXKAIDM-UHFFFAOYSA-N 2 2 303.409 4.429 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001620868522 1055496646 /nfs/dbraw/zinc/49/66/46/1055496646.db2.gz GHRLKFKCYUSQCB-VIPLHTEESA-N 2 2 315.505 4.021 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CC2CCCCC2)c(C)c1 ZINC001620871832 1055499073 /nfs/dbraw/zinc/49/90/73/1055499073.db2.gz SUXSKQSLYFDYKT-HXUWFJFHSA-N 2 2 311.473 4.411 20 0 DIADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000021814107 1055551324 /nfs/dbraw/zinc/55/13/24/1055551324.db2.gz NDGGZEDEMQRFAM-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cccc2c[nH+]cn21 ZINC001238115582 1055609548 /nfs/dbraw/zinc/60/95/48/1055609548.db2.gz JKIGCEBSGYIDIQ-UHFFFAOYSA-N 2 2 320.223 4.273 20 0 DIADLP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cccc2c[nH+]cn21 ZINC001238115582 1055609553 /nfs/dbraw/zinc/60/95/53/1055609553.db2.gz JKIGCEBSGYIDIQ-UHFFFAOYSA-N 2 2 320.223 4.273 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)s1 ZINC001238117832 1055610242 /nfs/dbraw/zinc/61/02/42/1055610242.db2.gz DDYBHJCXEUVHHQ-AWEZNQCLSA-N 2 2 317.845 4.386 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)s1 ZINC001238117832 1055610246 /nfs/dbraw/zinc/61/02/46/1055610246.db2.gz DDYBHJCXEUVHHQ-AWEZNQCLSA-N 2 2 317.845 4.386 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)c(C(C)C)c1)C1CC[NH+](C)CC1 ZINC001238228895 1055626574 /nfs/dbraw/zinc/62/65/74/1055626574.db2.gz OFECJVGBGLWPEG-UHFFFAOYSA-N 2 2 308.897 4.380 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)c(C(C)C)c1)C1CC[NH+](C)CC1 ZINC001238228895 1055626577 /nfs/dbraw/zinc/62/65/77/1055626577.db2.gz OFECJVGBGLWPEG-UHFFFAOYSA-N 2 2 308.897 4.380 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cc(OC(C)C)ccc2C)CC1 ZINC001238485769 1055671190 /nfs/dbraw/zinc/67/11/90/1055671190.db2.gz MIFXEYSWVOVZNJ-UHFFFAOYSA-N 2 2 318.505 4.088 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001238566641 1055689176 /nfs/dbraw/zinc/68/91/76/1055689176.db2.gz MXYQZPOPBRSQLV-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001238566641 1055689180 /nfs/dbraw/zinc/68/91/80/1055689180.db2.gz MXYQZPOPBRSQLV-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP CSc1cc(C)cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001238675835 1055718288 /nfs/dbraw/zinc/71/82/88/1055718288.db2.gz PMSPLNPWOTWORS-UHFFFAOYSA-N 2 2 318.530 4.167 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(Cl)c1 ZINC000057592973 1055785604 /nfs/dbraw/zinc/78/56/04/1055785604.db2.gz VFEVRVZCHITYMW-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(Cl)c1 ZINC000057592973 1055785616 /nfs/dbraw/zinc/78/56/16/1055785616.db2.gz VFEVRVZCHITYMW-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4ccccc43)cc2)C1 ZINC001239471025 1055895103 /nfs/dbraw/zinc/89/51/03/1055895103.db2.gz DZAWDJOJMVNSTC-IBGZPJMESA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4ccccc43)cc2)C1 ZINC001239471025 1055895110 /nfs/dbraw/zinc/89/51/10/1055895110.db2.gz DZAWDJOJMVNSTC-IBGZPJMESA-N 2 2 302.421 4.040 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccco2)C1 ZINC001615651214 1055928960 /nfs/dbraw/zinc/92/89/60/1055928960.db2.gz YUPXTASUXJJTCY-LPHOPBHVSA-N 2 2 321.424 4.439 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccco2)C1 ZINC001615651214 1055928968 /nfs/dbraw/zinc/92/89/68/1055928968.db2.gz YUPXTASUXJJTCY-LPHOPBHVSA-N 2 2 321.424 4.439 20 0 DIADLP CC[N@H+](CCC[NH2+]Cc1cccc(F)c1F)C1CCCCC1 ZINC001620996258 1055965971 /nfs/dbraw/zinc/96/59/71/1055965971.db2.gz OTKWBWQXRMDMTC-UHFFFAOYSA-N 2 2 310.432 4.099 20 0 DIADLP CC[N@@H+](CCC[NH2+]Cc1cccc(F)c1F)C1CCCCC1 ZINC001620996258 1055965980 /nfs/dbraw/zinc/96/59/80/1055965980.db2.gz OTKWBWQXRMDMTC-UHFFFAOYSA-N 2 2 310.432 4.099 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC001620569711 1055966274 /nfs/dbraw/zinc/96/62/74/1055966274.db2.gz NRNREIURDDBWFO-UTKZUKDTSA-N 2 2 317.436 4.455 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC001620569711 1055966279 /nfs/dbraw/zinc/96/62/79/1055966279.db2.gz NRNREIURDDBWFO-UTKZUKDTSA-N 2 2 317.436 4.455 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001620720546 1055985305 /nfs/dbraw/zinc/98/53/05/1055985305.db2.gz NLHMYELVLXGPDX-DTQAZKPQSA-N 2 2 306.881 4.065 20 0 DIADLP c1ccc(-c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001621027717 1055992022 /nfs/dbraw/zinc/99/20/22/1055992022.db2.gz WIWUXAUDADUPQU-NRFANRHFSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccccc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001621027717 1055992033 /nfs/dbraw/zinc/99/20/33/1055992033.db2.gz WIWUXAUDADUPQU-NRFANRHFSA-N 2 2 320.480 4.460 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001621037018 1055997541 /nfs/dbraw/zinc/99/75/41/1055997541.db2.gz XLZNBIHYNGTALD-TXOBRMIJSA-N 2 2 312.501 4.477 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001621037018 1055997555 /nfs/dbraw/zinc/99/75/55/1055997555.db2.gz XLZNBIHYNGTALD-TXOBRMIJSA-N 2 2 312.501 4.477 20 0 DIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccsc1C(F)(F)F ZINC001621312361 1056002180 /nfs/dbraw/zinc/00/21/80/1056002180.db2.gz NZKDZWAYICILFG-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccsc1C(F)(F)F ZINC001621312361 1056002186 /nfs/dbraw/zinc/00/21/86/1056002186.db2.gz NZKDZWAYICILFG-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccccc1C[NH+](C)C ZINC001239682034 1056025349 /nfs/dbraw/zinc/02/53/49/1056025349.db2.gz XTTWKZGORDJNEL-UHFFFAOYSA-N 2 2 309.457 4.109 20 0 DIADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474250 1056317314 /nfs/dbraw/zinc/31/73/14/1056317314.db2.gz LCUMAKSKSSPZHE-FXQLRMTLSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474250 1056317326 /nfs/dbraw/zinc/31/73/26/1056317326.db2.gz LCUMAKSKSSPZHE-FXQLRMTLSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474251 1056317496 /nfs/dbraw/zinc/31/74/96/1056317496.db2.gz LCUMAKSKSSPZHE-QRNKSROTSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474251 1056317503 /nfs/dbraw/zinc/31/75/03/1056317503.db2.gz LCUMAKSKSSPZHE-QRNKSROTSA-N 2 2 320.443 4.208 20 0 DIADLP Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2)c2[nH+]ccn2c1 ZINC001240169768 1056362495 /nfs/dbraw/zinc/36/24/95/1056362495.db2.gz SFYLPWCDLRYPDA-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP Fc1ccc(-c2ccc3[nH+]ccn3c2)cc1C[NH+]1CCCCC1 ZINC001240221563 1056379017 /nfs/dbraw/zinc/37/90/17/1056379017.db2.gz MMVFNQFHJYGEPM-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896730 1056593806 /nfs/dbraw/zinc/59/38/06/1056593806.db2.gz ZOIJIJLQSBSHEG-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896730 1056593818 /nfs/dbraw/zinc/59/38/18/1056593818.db2.gz ZOIJIJLQSBSHEG-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896730 1056593836 /nfs/dbraw/zinc/59/38/36/1056593836.db2.gz ZOIJIJLQSBSHEG-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896730 1056593852 /nfs/dbraw/zinc/59/38/52/1056593852.db2.gz ZOIJIJLQSBSHEG-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP Cc1cccc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000076764210 1056652889 /nfs/dbraw/zinc/65/28/89/1056652889.db2.gz RJNUHWMEESBCKT-UHFFFAOYSA-N 2 2 305.425 4.206 20 0 DIADLP Cc1ccccc1-c1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000078527855 1056850851 /nfs/dbraw/zinc/85/08/51/1056850851.db2.gz LWIAGXYNQCYWRV-KRWDZBQOSA-N 2 2 319.452 4.284 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001617883752 1056895719 /nfs/dbraw/zinc/89/57/19/1056895719.db2.gz VTDSJDNZWXZADN-QYZOEREBSA-N 2 2 320.908 4.440 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001617883752 1056895727 /nfs/dbraw/zinc/89/57/27/1056895727.db2.gz VTDSJDNZWXZADN-QYZOEREBSA-N 2 2 320.908 4.440 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168715171 1056985433 /nfs/dbraw/zinc/98/54/33/1056985433.db2.gz NNXTYLWTKUVELI-INIZCTEOSA-N 2 2 323.827 4.002 20 0 DIADLP CC(C)(C)c1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241301620 1057004665 /nfs/dbraw/zinc/00/46/65/1057004665.db2.gz DJDQIPDOKBVVJB-LJQANCHMSA-N 2 2 308.469 4.184 20 0 DIADLP CC(C)(C)c1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241301620 1057004667 /nfs/dbraw/zinc/00/46/67/1057004667.db2.gz DJDQIPDOKBVVJB-LJQANCHMSA-N 2 2 308.469 4.184 20 0 DIADLP COc1cc2[nH+]c[nH]c2cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241388183 1057034463 /nfs/dbraw/zinc/03/44/63/1057034463.db2.gz ACMWPOLGXYMIOH-UHFFFAOYSA-N 2 2 321.424 4.224 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4ccsc43)cc2)C1 ZINC001241405037 1057042014 /nfs/dbraw/zinc/04/20/14/1057042014.db2.gz VTZBFFQAAITNLU-KRWDZBQOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4ccsc43)cc2)C1 ZINC001241405037 1057042019 /nfs/dbraw/zinc/04/20/19/1057042019.db2.gz VTZBFFQAAITNLU-KRWDZBQOSA-N 2 2 308.450 4.101 20 0 DIADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000347741029 1057062855 /nfs/dbraw/zinc/06/28/55/1057062855.db2.gz WNAIIZLKGRJYPF-IBGZPJMESA-N 2 2 311.473 4.097 20 0 DIADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000347741029 1057062865 /nfs/dbraw/zinc/06/28/65/1057062865.db2.gz WNAIIZLKGRJYPF-IBGZPJMESA-N 2 2 311.473 4.097 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2/C=C/c2ccc(Cl)cc2)C1 ZINC001241586890 1057100180 /nfs/dbraw/zinc/10/01/80/1057100180.db2.gz NDIPWDKETHOARU-MTCRFPMVSA-N 2 2 312.844 4.043 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2/C=C/c2ccc(Cl)cc2)C1 ZINC001241586890 1057100181 /nfs/dbraw/zinc/10/01/81/1057100181.db2.gz NDIPWDKETHOARU-MTCRFPMVSA-N 2 2 312.844 4.043 20 0 DIADLP Cc1cc(-c2ccc3[nH]cc(C[C@H]4CCC[N@H+]4C)c3c2)cc(C)[nH+]1 ZINC001241992164 1057232450 /nfs/dbraw/zinc/23/24/50/1057232450.db2.gz DZCUPEFCFPYADU-LJQANCHMSA-N 2 2 319.452 4.483 20 0 DIADLP Cc1cc(-c2ccc3[nH]cc(C[C@H]4CCC[N@@H+]4C)c3c2)cc(C)[nH+]1 ZINC001241992164 1057232453 /nfs/dbraw/zinc/23/24/53/1057232453.db2.gz DZCUPEFCFPYADU-LJQANCHMSA-N 2 2 319.452 4.483 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000675918253 1057430752 /nfs/dbraw/zinc/43/07/52/1057430752.db2.gz FSSQGLNRQFWZHC-ZBFHGGJFSA-N 2 2 311.454 4.116 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920237 1057430882 /nfs/dbraw/zinc/43/08/82/1057430882.db2.gz JQNYZTONCAFUDF-MJGOQNOKSA-N 2 2 311.473 4.428 20 0 DIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(F)c1 ZINC000675918300 1057431207 /nfs/dbraw/zinc/43/12/07/1057431207.db2.gz GCRYKJPCGQAOLN-KXBFYZLASA-N 2 2 323.415 4.194 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918766 1057431401 /nfs/dbraw/zinc/43/14/01/1057431401.db2.gz GAROXIHFJAOHRI-XLIONFOSSA-N 2 2 319.452 4.363 20 0 DIADLP Fc1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc1-n1cc[nH+]c1 ZINC001242694941 1057450255 /nfs/dbraw/zinc/45/02/55/1057450255.db2.gz ATDOFDZKMXTKBD-QGZVFWFLSA-N 2 2 311.404 4.043 20 0 DIADLP C[NH+](C)Cc1c(F)cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC001242695922 1057450568 /nfs/dbraw/zinc/45/05/68/1057450568.db2.gz FFSIWGWBLDGBLO-MRXNPFEDSA-N 2 2 320.427 4.058 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242985265 1057535974 /nfs/dbraw/zinc/53/59/74/1057535974.db2.gz QAOKPFGDNHACJA-HXUWFJFHSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242985265 1057535976 /nfs/dbraw/zinc/53/59/76/1057535976.db2.gz QAOKPFGDNHACJA-HXUWFJFHSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242985442 1057537079 /nfs/dbraw/zinc/53/70/79/1057537079.db2.gz SYCFELIURJHUCF-IBGZPJMESA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242985442 1057537083 /nfs/dbraw/zinc/53/70/83/1057537083.db2.gz SYCFELIURJHUCF-IBGZPJMESA-N 2 2 316.448 4.348 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C(C)C)no2)cc1 ZINC000169248037 1057690529 /nfs/dbraw/zinc/69/05/29/1057690529.db2.gz NDMDUGQQWUTXTO-AWEZNQCLSA-N 2 2 324.428 4.143 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C(C)C)no2)cc1 ZINC000169247962 1057690560 /nfs/dbraw/zinc/69/05/60/1057690560.db2.gz NDMDUGQQWUTXTO-CQSZACIVSA-N 2 2 324.428 4.143 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000731451075 1057743478 /nfs/dbraw/zinc/74/34/78/1057743478.db2.gz ITXCZBUEPFQFFZ-MGPUTAFESA-N 2 2 303.409 4.210 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244129432 1057879957 /nfs/dbraw/zinc/87/99/57/1057879957.db2.gz REZXUWJBBCMBQU-IBGZPJMESA-N 2 2 324.443 4.212 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244129432 1057879960 /nfs/dbraw/zinc/87/99/60/1057879960.db2.gz REZXUWJBBCMBQU-IBGZPJMESA-N 2 2 324.443 4.212 20 0 DIADLP Cc1c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cccc1C1CC1 ZINC001244131806 1057881164 /nfs/dbraw/zinc/88/11/64/1057881164.db2.gz FRFFNKROGKSXSJ-IBGZPJMESA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cccc1C1CC1 ZINC001244131806 1057881166 /nfs/dbraw/zinc/88/11/66/1057881166.db2.gz FRFFNKROGKSXSJ-IBGZPJMESA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001244276767 1057921714 /nfs/dbraw/zinc/92/17/14/1057921714.db2.gz RDIYPURKZJEENY-IBGZPJMESA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001244276767 1057921719 /nfs/dbraw/zinc/92/17/19/1057921719.db2.gz RDIYPURKZJEENY-IBGZPJMESA-N 2 2 306.453 4.072 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245196610 1058126354 /nfs/dbraw/zinc/12/63/54/1058126354.db2.gz IMQVSJNMKFLSTO-LJQANCHMSA-N 2 2 303.409 4.023 20 0 DIADLP Cn1c[nH+]cc1-c1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1 ZINC001245357492 1058151597 /nfs/dbraw/zinc/15/15/97/1058151597.db2.gz SFFHTMYXLRXMBN-IBGZPJMESA-N 2 2 303.409 4.179 20 0 DIADLP Cc1cc(-c2cccc3c2C[N@H+](Cc2ccccc2)C3)c[nH+]c1N ZINC001245538471 1058219653 /nfs/dbraw/zinc/21/96/53/1058219653.db2.gz KNVYNYMNDIMQKJ-UHFFFAOYSA-N 2 2 315.420 4.155 20 0 DIADLP Cc1cc(-c2cccc3c2C[N@@H+](Cc2ccccc2)C3)c[nH+]c1N ZINC001245538471 1058219682 /nfs/dbraw/zinc/21/96/82/1058219682.db2.gz KNVYNYMNDIMQKJ-UHFFFAOYSA-N 2 2 315.420 4.155 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246115906 1058684886 /nfs/dbraw/zinc/68/48/86/1058684886.db2.gz KMHIIYXKJDSMDR-CYZMBNFOSA-N 2 2 301.261 4.175 20 0 DIADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246116500 1058683032 /nfs/dbraw/zinc/68/30/32/1058683032.db2.gz MXJKEXBXNXKUSO-DETPVDSQSA-N 2 2 315.288 4.421 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246115910 1058684646 /nfs/dbraw/zinc/68/46/46/1058684646.db2.gz KMHIIYXKJDSMDR-UHTWSYAYSA-N 2 2 301.261 4.175 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@H]3c3ccccc3)C2)cc1 ZINC001246141399 1058696995 /nfs/dbraw/zinc/69/69/95/1058696995.db2.gz KQHIHNHPPPGVEU-MHTWAQMVSA-N 2 2 306.453 4.016 20 0 DIADLP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1Cl ZINC001246159217 1058701847 /nfs/dbraw/zinc/70/18/47/1058701847.db2.gz NZEYCZDMYAFHDV-DOMZBBRYSA-N 2 2 312.860 4.044 20 0 DIADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246162508 1058707478 /nfs/dbraw/zinc/70/74/78/1058707478.db2.gz ZMKWMBFFWDKVQS-SJLPKXTDSA-N 2 2 318.823 4.062 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246175086 1058719558 /nfs/dbraw/zinc/71/95/58/1058719558.db2.gz XWOOVRRJQZVLGU-LSDHHAIUSA-N 2 2 315.288 4.394 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2cccc(Cl)c2Cl)C[C@@H](CC)[NH2+]1 ZINC001246175807 1058719864 /nfs/dbraw/zinc/71/98/64/1058719864.db2.gz MZBQOKWLROJKMA-CHWSQXEVSA-N 2 2 315.288 4.392 20 0 DIADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246178996 1058723971 /nfs/dbraw/zinc/72/39/71/1058723971.db2.gz CBVUUQUNEWXEEH-DZGCQCFKSA-N 2 2 315.288 4.250 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC[NH2+]1 ZINC001246182017 1058725880 /nfs/dbraw/zinc/72/58/80/1058725880.db2.gz WASJBTVDBFFKJW-NJYVYQBISA-N 2 2 323.484 4.071 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC[NH2+]1 ZINC001246181995 1058726147 /nfs/dbraw/zinc/72/61/47/1058726147.db2.gz WASJBTVDBFFKJW-HKBOAZHASA-N 2 2 323.484 4.071 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC[NH2+]1 ZINC001246182008 1058727582 /nfs/dbraw/zinc/72/75/82/1058727582.db2.gz WASJBTVDBFFKJW-NJDAHSKKSA-N 2 2 323.484 4.071 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246209194 1058743799 /nfs/dbraw/zinc/74/37/99/1058743799.db2.gz GALACUAQQRDASZ-GJZGRUSLSA-N 2 2 306.881 4.230 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)C[C@H](CC)[NH2+]1 ZINC001246208585 1058745218 /nfs/dbraw/zinc/74/52/18/1058745218.db2.gz BVQVLHAGWNRWRS-QDMKHBRRSA-N 2 2 306.881 4.228 20 0 DIADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1Cl ZINC001246236273 1058762058 /nfs/dbraw/zinc/76/20/58/1058762058.db2.gz UUPVFEHFHIOPGG-AWEZNQCLSA-N 2 2 310.844 4.024 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246251939 1058770839 /nfs/dbraw/zinc/77/08/39/1058770839.db2.gz GNZJKVQKEYGWTJ-IJLUTSLNSA-N 2 2 301.261 4.175 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC001246255360 1058775253 /nfs/dbraw/zinc/77/52/53/1058775253.db2.gz WSIRHLVPVOWTOE-CHWSQXEVSA-N 2 2 313.272 4.103 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246268338 1058785575 /nfs/dbraw/zinc/78/55/75/1058785575.db2.gz PRJRUHCCRFIHGD-ITGUQSILSA-N 2 2 316.823 4.017 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001246279561 1058793949 /nfs/dbraw/zinc/79/39/49/1058793949.db2.gz MPEJOYLFEKHUFA-CXAGYDPISA-N 2 2 320.889 4.110 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2Cl)CC[NH2+]1 ZINC001246298330 1058810284 /nfs/dbraw/zinc/81/02/84/1058810284.db2.gz XHKWAHOWLNSYLC-MELADBBJSA-N 2 2 312.860 4.441 20 0 DIADLP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccn1 ZINC001246327188 1058838273 /nfs/dbraw/zinc/83/82/73/1058838273.db2.gz RCTVKGPQGOOHGK-TYPHKJRUSA-N 2 2 323.484 4.252 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246342329 1058851923 /nfs/dbraw/zinc/85/19/23/1058851923.db2.gz HFHMMRGFCYCUON-PKOBYXMFSA-N 2 2 314.860 4.231 20 0 DIADLP C[C@H]1CC([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C[C@H](C)[NH2+]1 ZINC001246351017 1058861664 /nfs/dbraw/zinc/86/16/64/1058861664.db2.gz TZSDRDGVFBZQPV-IUCAKERBSA-N 2 2 321.679 4.265 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c(F)c1F ZINC001246352737 1058865902 /nfs/dbraw/zinc/86/59/02/1058865902.db2.gz UJXBWNDEUZQSGS-GUTXKFCHSA-N 2 2 310.432 4.091 20 0 DIADLP Cc1cccc(C2([NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246409976 1058912032 /nfs/dbraw/zinc/91/20/32/1058912032.db2.gz VQXPSPNDXJYNCQ-DOTOQJQBSA-N 2 2 322.443 4.130 20 0 DIADLP CC[C@@H]1CC([NH2+][C@H](c2ncccc2Cl)C2CC2)C[C@@H](CC)[NH2+]1 ZINC001246461146 1058944718 /nfs/dbraw/zinc/94/47/18/1058944718.db2.gz WLYIORTVXBTMRD-CPUCHLNUSA-N 2 2 321.896 4.085 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)c1c(F)cccc1F ZINC001246469156 1058953726 /nfs/dbraw/zinc/95/37/26/1058953726.db2.gz PGJZYKRFDKWXQA-YOEHRIQHSA-N 2 2 322.443 4.460 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(SC(F)(F)F)cc1 ZINC001246488217 1058966686 /nfs/dbraw/zinc/96/66/86/1058966686.db2.gz JGNLJVPPUWCETN-DMDPSCGWSA-N 2 2 318.408 4.090 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246615994 1059031794 /nfs/dbraw/zinc/03/17/94/1059031794.db2.gz ZKHQSIXXEXZJFP-CQSZACIVSA-N 2 2 324.871 4.018 20 0 DIADLP C1CCC2(CC1)CCC[C@H]([N@@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246649292 1059047020 /nfs/dbraw/zinc/04/70/20/1059047020.db2.gz XGNAQYOCIQGNPD-SFHVURJKSA-N 2 2 304.522 4.488 20 0 DIADLP C1CCC2(CC1)CCC[C@H]([N@H+]1CCCCC13CC[NH2+]CC3)C2 ZINC001246649292 1059047039 /nfs/dbraw/zinc/04/70/39/1059047039.db2.gz XGNAQYOCIQGNPD-SFHVURJKSA-N 2 2 304.522 4.488 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793680 1059098106 /nfs/dbraw/zinc/09/81/06/1059098106.db2.gz WHJFBFOEQDZRAO-JTDSTZFVSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793680 1059098131 /nfs/dbraw/zinc/09/81/31/1059098131.db2.gz WHJFBFOEQDZRAO-JTDSTZFVSA-N 2 2 322.443 4.413 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCC[C@@H]4CCCC[C@H]43)CC[NH2+]2)cc1 ZINC001246834905 1059113498 /nfs/dbraw/zinc/11/34/98/1059113498.db2.gz KAXVHUJDJSWZTK-DOIPELPJSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCC[C@@H]4CCCC[C@H]43)CC[NH2+]2)cc1 ZINC001246834905 1059113506 /nfs/dbraw/zinc/11/35/06/1059113506.db2.gz KAXVHUJDJSWZTK-DOIPELPJSA-N 2 2 312.501 4.004 20 0 DIADLP CC1(C)CCC[C@@H]([N@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001246834844 1059114101 /nfs/dbraw/zinc/11/41/01/1059114101.db2.gz QNHZWSSOLQPJNM-GUDVDZBRSA-N 2 2 318.480 4.157 20 0 DIADLP CC1(C)CCC[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001246834844 1059114109 /nfs/dbraw/zinc/11/41/09/1059114109.db2.gz QNHZWSSOLQPJNM-GUDVDZBRSA-N 2 2 318.480 4.157 20 0 DIADLP CC[C@@H](CC(C)C)[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001246833367 1059116048 /nfs/dbraw/zinc/11/60/48/1059116048.db2.gz KLKIMUNVTWEBDP-IPMKNSEASA-N 2 2 306.469 4.013 20 0 DIADLP CC[C@@H](CC(C)C)[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001246833367 1059116056 /nfs/dbraw/zinc/11/60/56/1059116056.db2.gz KLKIMUNVTWEBDP-IPMKNSEASA-N 2 2 306.469 4.013 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838957 1059119480 /nfs/dbraw/zinc/11/94/80/1059119480.db2.gz KTXBIMFSAXFHTI-NWDGAFQWSA-N 2 2 308.878 4.127 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838957 1059119490 /nfs/dbraw/zinc/11/94/90/1059119490.db2.gz KTXBIMFSAXFHTI-NWDGAFQWSA-N 2 2 308.878 4.127 20 0 DIADLP CC[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246842955 1059120691 /nfs/dbraw/zinc/12/06/91/1059120691.db2.gz AOUAXCBYLYGFIT-AZUAARDMSA-N 2 2 312.432 4.141 20 0 DIADLP CC[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246842955 1059120701 /nfs/dbraw/zinc/12/07/01/1059120701.db2.gz AOUAXCBYLYGFIT-AZUAARDMSA-N 2 2 312.432 4.141 20 0 DIADLP C[NH2+]CC[C@H](C)[N@H+](C)Cc1cc(F)ccc1Oc1ccccc1 ZINC001246843060 1059121645 /nfs/dbraw/zinc/12/16/45/1059121645.db2.gz IFOHNNJVIGFGDE-HNNXBMFYSA-N 2 2 316.420 4.048 20 0 DIADLP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1Oc1ccccc1 ZINC001246843060 1059121658 /nfs/dbraw/zinc/12/16/58/1059121658.db2.gz IFOHNNJVIGFGDE-HNNXBMFYSA-N 2 2 316.420 4.048 20 0 DIADLP C[C@H]1CC[C@@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879350 1059145447 /nfs/dbraw/zinc/14/54/47/1059145447.db2.gz MDKLBBJEQOJCSO-NAYASGRBSA-N 2 2 318.464 4.003 20 0 DIADLP C[C@H]1CC[C@@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879350 1059145453 /nfs/dbraw/zinc/14/54/53/1059145453.db2.gz MDKLBBJEQOJCSO-NAYASGRBSA-N 2 2 318.464 4.003 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902162 1059162570 /nfs/dbraw/zinc/16/25/70/1059162570.db2.gz QFPYAXQTCMZDRP-IIDMSEBBSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902162 1059162574 /nfs/dbraw/zinc/16/25/74/1059162574.db2.gz QFPYAXQTCMZDRP-IIDMSEBBSA-N 2 2 322.443 4.413 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901899 1059164399 /nfs/dbraw/zinc/16/43/99/1059164399.db2.gz PMWVXVLPLAMKNS-XKQJLSEDSA-N 2 2 322.443 4.268 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901899 1059164404 /nfs/dbraw/zinc/16/44/04/1059164404.db2.gz PMWVXVLPLAMKNS-XKQJLSEDSA-N 2 2 322.443 4.268 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902165 1059164866 /nfs/dbraw/zinc/16/48/66/1059164866.db2.gz QFPYAXQTCMZDRP-VKJFTORMSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902165 1059164870 /nfs/dbraw/zinc/16/48/70/1059164870.db2.gz QFPYAXQTCMZDRP-VKJFTORMSA-N 2 2 322.443 4.413 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951478 1059195433 /nfs/dbraw/zinc/19/54/33/1059195433.db2.gz CRTRPUAETMIXHG-BJLQDIEVSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951478 1059195443 /nfs/dbraw/zinc/19/54/43/1059195443.db2.gz CRTRPUAETMIXHG-BJLQDIEVSA-N 2 2 317.521 4.096 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978770 1059221478 /nfs/dbraw/zinc/22/14/78/1059221478.db2.gz MPEMRXKXIIJVJH-BMFZPTHFSA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978770 1059221498 /nfs/dbraw/zinc/22/14/98/1059221498.db2.gz MPEMRXKXIIJVJH-BMFZPTHFSA-N 2 2 318.427 4.104 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981532 1059226730 /nfs/dbraw/zinc/22/67/30/1059226730.db2.gz WOZRFUONGPIFCK-NRSPTQNISA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C2)cc1 ZINC001246981532 1059226750 /nfs/dbraw/zinc/22/67/50/1059226750.db2.gz WOZRFUONGPIFCK-NRSPTQNISA-N 2 2 312.501 4.319 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCC1(F)F ZINC001559656459 1059484769 /nfs/dbraw/zinc/48/47/69/1059484769.db2.gz PCHFCKQHGGOOJQ-QGZVFWFLSA-N 2 2 324.459 4.312 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCC1(F)F ZINC001559656459 1059484787 /nfs/dbraw/zinc/48/47/87/1059484787.db2.gz PCHFCKQHGGOOJQ-QGZVFWFLSA-N 2 2 324.459 4.312 20 0 DIADLP Cc1ccc([C@H](CC(F)(F)F)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC001559724267 1059554643 /nfs/dbraw/zinc/55/46/43/1059554643.db2.gz SZZSBJSDQAAYHA-CVEARBPZSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccc([C@H](CC(F)(F)F)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001559724267 1059554666 /nfs/dbraw/zinc/55/46/66/1059554666.db2.gz SZZSBJSDQAAYHA-CVEARBPZSA-N 2 2 314.395 4.062 20 0 DIADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC001560069318 1059883259 /nfs/dbraw/zinc/88/32/59/1059883259.db2.gz PWLFURVZIIYCCI-LJQANCHMSA-N 2 2 315.436 4.324 20 0 DIADLP CC1(C)CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC001560091907 1059901459 /nfs/dbraw/zinc/90/14/59/1059901459.db2.gz DGYCGXLKRXYDES-RBUKOAKNSA-N 2 2 311.473 4.225 20 0 DIADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117758 1059919376 /nfs/dbraw/zinc/91/93/76/1059919376.db2.gz GUWLIOIWVBOPEJ-SFTDATJTSA-N 2 2 312.501 4.403 20 0 DIADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117758 1059919393 /nfs/dbraw/zinc/91/93/93/1059919393.db2.gz GUWLIOIWVBOPEJ-SFTDATJTSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117758 1059919406 /nfs/dbraw/zinc/91/94/06/1059919406.db2.gz GUWLIOIWVBOPEJ-SFTDATJTSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117758 1059919416 /nfs/dbraw/zinc/91/94/16/1059919416.db2.gz GUWLIOIWVBOPEJ-SFTDATJTSA-N 2 2 312.501 4.403 20 0 DIADLP CCCCCCc1csc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC001248679005 1059932032 /nfs/dbraw/zinc/93/20/32/1059932032.db2.gz URUNHRUZPABCEM-UHFFFAOYSA-N 2 2 308.535 4.397 20 0 DIADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCC(c2ccccc2)CC1 ZINC001560136933 1059940735 /nfs/dbraw/zinc/94/07/35/1059940735.db2.gz MFAKFHQNTCYIJD-NLDTVIPQSA-N 2 2 312.501 4.129 20 0 DIADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCC(c2ccccc2)CC1 ZINC001560136933 1059940758 /nfs/dbraw/zinc/94/07/58/1059940758.db2.gz MFAKFHQNTCYIJD-NLDTVIPQSA-N 2 2 312.501 4.129 20 0 DIADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CCC(c2ccccc2)CC1 ZINC001560136933 1059940777 /nfs/dbraw/zinc/94/07/77/1059940777.db2.gz MFAKFHQNTCYIJD-NLDTVIPQSA-N 2 2 312.501 4.129 20 0 DIADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CCC(c2ccccc2)CC1 ZINC001560136933 1059940799 /nfs/dbraw/zinc/94/07/99/1059940799.db2.gz MFAKFHQNTCYIJD-NLDTVIPQSA-N 2 2 312.501 4.129 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C)CC1)Cc1ccccc1 ZINC001560261341 1060029527 /nfs/dbraw/zinc/02/95/27/1060029527.db2.gz FBMUDTQNVOOGBM-UUKMXZOPSA-N 2 2 302.506 4.108 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)Cc1ccccc1 ZINC001560261935 1060032419 /nfs/dbraw/zinc/03/24/19/1060032419.db2.gz XYANPGGSWFKPNV-YZGWKJHDSA-N 2 2 316.533 4.354 20 0 DIADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CC1CCCCCC1 ZINC001560283232 1060060507 /nfs/dbraw/zinc/06/05/07/1060060507.db2.gz FPWICFJCDINPBH-UHFFFAOYSA-N 2 2 315.505 4.129 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc(C(C)(C)C)c[nH]2)C2CCCC2)CC1 ZINC001249480128 1060262827 /nfs/dbraw/zinc/26/28/27/1060262827.db2.gz HCDREEJXTSHCKR-UHFFFAOYSA-N 2 2 317.521 4.151 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc(C(C)(C)C)c[nH]2)C2CCCC2)CC1 ZINC001249480128 1060262849 /nfs/dbraw/zinc/26/28/49/1060262849.db2.gz HCDREEJXTSHCKR-UHFFFAOYSA-N 2 2 317.521 4.151 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001560483897 1060274344 /nfs/dbraw/zinc/27/43/44/1060274344.db2.gz PRNKQJMBOMXDQX-CZUORRHYSA-N 2 2 317.864 4.440 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CCC1 ZINC001560764100 1060629710 /nfs/dbraw/zinc/62/97/10/1060629710.db2.gz RMKQLQPFLFDWKT-WMZOPIPTSA-N 2 2 320.908 4.125 20 0 DIADLP CC(C)(C)c1ccc(CC[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001560789941 1060649663 /nfs/dbraw/zinc/64/96/63/1060649663.db2.gz NPVNTXQWTGXDRL-UHFFFAOYSA-N 2 2 316.533 4.238 20 0 DIADLP CC(C)(C)c1ccc(CC[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001560789941 1060649666 /nfs/dbraw/zinc/64/96/66/1060649666.db2.gz NPVNTXQWTGXDRL-UHFFFAOYSA-N 2 2 316.533 4.238 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001560806636 1060666298 /nfs/dbraw/zinc/66/62/98/1060666298.db2.gz XRMHWHIIEIQGFB-MJGOQNOKSA-N 2 2 316.533 4.453 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001560806636 1060666308 /nfs/dbraw/zinc/66/63/08/1060666308.db2.gz XRMHWHIIEIQGFB-MJGOQNOKSA-N 2 2 316.533 4.453 20 0 DIADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001560843946 1060699477 /nfs/dbraw/zinc/69/94/77/1060699477.db2.gz OQBXWYFOCHSNNH-MOPGFXCFSA-N 2 2 300.490 4.065 20 0 DIADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001560843946 1060699481 /nfs/dbraw/zinc/69/94/81/1060699481.db2.gz OQBXWYFOCHSNNH-MOPGFXCFSA-N 2 2 300.490 4.065 20 0 DIADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001560929603 1060793166 /nfs/dbraw/zinc/79/31/66/1060793166.db2.gz DTKOBAUPHTUWJN-MOPGFXCFSA-N 2 2 302.506 4.026 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001560929284 1060793348 /nfs/dbraw/zinc/79/33/48/1060793348.db2.gz UCENQUDYIVVHKE-JKIFEVAISA-N 2 2 308.897 4.294 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001560929284 1060793356 /nfs/dbraw/zinc/79/33/56/1060793356.db2.gz UCENQUDYIVVHKE-JKIFEVAISA-N 2 2 308.897 4.294 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)c1 ZINC001560943638 1060807984 /nfs/dbraw/zinc/80/79/84/1060807984.db2.gz WNSAGYSOSRMIOH-UGKGYDQZSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)c1 ZINC001560943638 1060807996 /nfs/dbraw/zinc/80/79/96/1060807996.db2.gz WNSAGYSOSRMIOH-UGKGYDQZSA-N 2 2 322.496 4.304 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944868 1060810015 /nfs/dbraw/zinc/81/00/15/1060810015.db2.gz LGDZILGZOWFVEZ-OALUTQOASA-N 2 2 318.892 4.350 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944868 1060810029 /nfs/dbraw/zinc/81/00/29/1060810029.db2.gz LGDZILGZOWFVEZ-OALUTQOASA-N 2 2 318.892 4.350 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945353 1060810190 /nfs/dbraw/zinc/81/01/90/1060810190.db2.gz XZAVMNMDYBFJTJ-NXHRZFHOSA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945353 1060810213 /nfs/dbraw/zinc/81/02/13/1060810213.db2.gz XZAVMNMDYBFJTJ-NXHRZFHOSA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944869 1060811638 /nfs/dbraw/zinc/81/16/38/1060811638.db2.gz LGDZILGZOWFVEZ-RBUKOAKNSA-N 2 2 318.892 4.350 20 0 DIADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944869 1060811664 /nfs/dbraw/zinc/81/16/64/1060811664.db2.gz LGDZILGZOWFVEZ-RBUKOAKNSA-N 2 2 318.892 4.350 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944867 1060812058 /nfs/dbraw/zinc/81/20/58/1060812058.db2.gz LGDZILGZOWFVEZ-MOPGFXCFSA-N 2 2 318.892 4.350 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001560944867 1060812071 /nfs/dbraw/zinc/81/20/71/1060812071.db2.gz LGDZILGZOWFVEZ-MOPGFXCFSA-N 2 2 318.892 4.350 20 0 DIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1F ZINC001560947854 1060812922 /nfs/dbraw/zinc/81/29/22/1060812922.db2.gz JPNFOKKRKVBISO-MPIZRUQFSA-N 2 2 322.443 4.030 20 0 DIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1F ZINC001560947854 1060812938 /nfs/dbraw/zinc/81/29/38/1060812938.db2.gz JPNFOKKRKVBISO-MPIZRUQFSA-N 2 2 322.443 4.030 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001560985770 1060849751 /nfs/dbraw/zinc/84/97/51/1060849751.db2.gz LCDMXFKZCRHXEM-QFBILLFUSA-N 2 2 315.505 4.208 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001560985770 1060849770 /nfs/dbraw/zinc/84/97/70/1060849770.db2.gz LCDMXFKZCRHXEM-QFBILLFUSA-N 2 2 315.505 4.208 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001560985768 1060850025 /nfs/dbraw/zinc/85/00/25/1060850025.db2.gz LCDMXFKZCRHXEM-APWZRJJASA-N 2 2 315.505 4.208 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001560985768 1060850030 /nfs/dbraw/zinc/85/00/30/1060850030.db2.gz LCDMXFKZCRHXEM-APWZRJJASA-N 2 2 315.505 4.208 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001462204865 1061023453 /nfs/dbraw/zinc/02/34/53/1061023453.db2.gz WFWZQMCNIIAXCO-RTBURBONSA-N 2 2 302.506 4.108 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001462204865 1061023472 /nfs/dbraw/zinc/02/34/72/1061023472.db2.gz WFWZQMCNIIAXCO-RTBURBONSA-N 2 2 302.506 4.108 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccsc2Cl)[nH+]1 ZINC001473264256 1061040486 /nfs/dbraw/zinc/04/04/86/1061040486.db2.gz MFIHAKQWOKBXQN-CQSZACIVSA-N 2 2 321.877 4.181 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccsc2Cl)[nH+]1 ZINC001473264256 1061040495 /nfs/dbraw/zinc/04/04/95/1061040495.db2.gz MFIHAKQWOKBXQN-CQSZACIVSA-N 2 2 321.877 4.181 20 0 DIADLP CC(C)CCCC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001462272374 1061065757 /nfs/dbraw/zinc/06/57/57/1061065757.db2.gz CIPPDHYAPOILCR-UHFFFAOYSA-N 2 2 305.853 4.442 20 0 DIADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001473351915 1061109055 /nfs/dbraw/zinc/10/90/55/1061109055.db2.gz XEHYPEQOPCKGNA-INIZCTEOSA-N 2 2 321.468 4.208 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001462387486 1061144277 /nfs/dbraw/zinc/14/42/77/1061144277.db2.gz QDXVCELPUWZAPD-HSALFYBXSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001462387486 1061144283 /nfs/dbraw/zinc/14/42/83/1061144283.db2.gz QDXVCELPUWZAPD-HSALFYBXSA-N 2 2 300.490 4.004 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001462428411 1061167648 /nfs/dbraw/zinc/16/76/48/1061167648.db2.gz LXSSKPQLEMBREU-CEWLAPEOSA-N 2 2 314.517 4.423 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC001462475914 1061195808 /nfs/dbraw/zinc/19/58/08/1061195808.db2.gz BGXXHUPRBWIKKY-PXNSSMCTSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC001462475914 1061195815 /nfs/dbraw/zinc/19/58/15/1061195815.db2.gz BGXXHUPRBWIKKY-PXNSSMCTSA-N 2 2 310.441 4.046 20 0 DIADLP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487391 1061206974 /nfs/dbraw/zinc/20/69/74/1061206974.db2.gz SUZVSYSZPYWDSB-KDOFPFPSSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487391 1061206992 /nfs/dbraw/zinc/20/69/92/1061206992.db2.gz SUZVSYSZPYWDSB-KDOFPFPSSA-N 2 2 306.881 4.050 20 0 DIADLP CCC(C)(C)CC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462498327 1061213724 /nfs/dbraw/zinc/21/37/24/1061213724.db2.gz XMYXNXAVJQOARL-MJGOQNOKSA-N 2 2 302.506 4.455 20 0 DIADLP CCC(C)(C)CC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462498327 1061213746 /nfs/dbraw/zinc/21/37/46/1061213746.db2.gz XMYXNXAVJQOARL-MJGOQNOKSA-N 2 2 302.506 4.455 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001462518976 1061228294 /nfs/dbraw/zinc/22/82/94/1061228294.db2.gz OXEDKUFGGKHVSC-PXNSSMCTSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001462518976 1061228314 /nfs/dbraw/zinc/22/83/14/1061228314.db2.gz OXEDKUFGGKHVSC-PXNSSMCTSA-N 2 2 300.490 4.209 20 0 DIADLP CC1(C)CC[N@H+](Cc2ccc(C(F)F)c(F)c2)CC(C)(C)[NH2+]1 ZINC001462662997 1061326132 /nfs/dbraw/zinc/32/61/32/1061326132.db2.gz GCLDHXNUPPFCAS-UHFFFAOYSA-N 2 2 314.395 4.116 20 0 DIADLP CC1(C)CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC(C)(C)[NH2+]1 ZINC001462662997 1061326149 /nfs/dbraw/zinc/32/61/49/1061326149.db2.gz GCLDHXNUPPFCAS-UHFFFAOYSA-N 2 2 314.395 4.116 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001473910632 1061457684 /nfs/dbraw/zinc/45/76/84/1061457684.db2.gz VZMHLLADXADPFH-FQEVSTJZSA-N 2 2 308.469 4.138 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001473910632 1061457697 /nfs/dbraw/zinc/45/76/97/1061457697.db2.gz VZMHLLADXADPFH-FQEVSTJZSA-N 2 2 308.469 4.138 20 0 DIADLP C[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC1CCCCC1 ZINC001473950143 1061491917 /nfs/dbraw/zinc/49/19/17/1061491917.db2.gz FHMIDKGZQRTNTF-SJLPKXTDSA-N 2 2 305.510 4.494 20 0 DIADLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC001474099379 1061645768 /nfs/dbraw/zinc/64/57/68/1061645768.db2.gz BWDQTJROJZZHDH-CQSZACIVSA-N 2 2 311.454 4.401 20 0 DIADLP C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001474100599 1061647397 /nfs/dbraw/zinc/64/73/97/1061647397.db2.gz VPMOVFUCXCNIBW-CTEOGUNLSA-N 2 2 303.409 4.236 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001474218556 1061776732 /nfs/dbraw/zinc/77/67/32/1061776732.db2.gz AOYWIXGUVDXEBQ-QRQLOZEOSA-N 2 2 311.473 4.120 20 0 DIADLP Cc1coc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320943 1061895069 /nfs/dbraw/zinc/89/50/69/1061895069.db2.gz UZOPCOZSHVOLOA-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320943 1061895093 /nfs/dbraw/zinc/89/50/93/1061895093.db2.gz UZOPCOZSHVOLOA-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001474320943 1061895127 /nfs/dbraw/zinc/89/51/27/1061895127.db2.gz UZOPCOZSHVOLOA-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001474320943 1061895153 /nfs/dbraw/zinc/89/51/53/1061895153.db2.gz UZOPCOZSHVOLOA-TZIWHRDSSA-N 2 2 324.468 4.075 20 0 DIADLP CCC[C@H](CCc1ccccc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001254497237 1062138609 /nfs/dbraw/zinc/13/86/09/1062138609.db2.gz AJPRPZOREYWQAB-RTBURBONSA-N 2 2 311.473 4.324 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001254493420 1062138992 /nfs/dbraw/zinc/13/89/92/1062138992.db2.gz COFZJCKAZNUIOO-IBGZPJMESA-N 2 2 302.506 4.204 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001254493420 1062139005 /nfs/dbraw/zinc/13/90/05/1062139005.db2.gz COFZJCKAZNUIOO-IBGZPJMESA-N 2 2 302.506 4.204 20 0 DIADLP CSCCCCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474462450 1062141357 /nfs/dbraw/zinc/14/13/57/1062141357.db2.gz CJVLEGIVXFBNHA-IEBWSBKVSA-N 2 2 320.546 4.020 20 0 DIADLP CSCCCCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474462450 1062141370 /nfs/dbraw/zinc/14/13/70/1062141370.db2.gz CJVLEGIVXFBNHA-IEBWSBKVSA-N 2 2 320.546 4.020 20 0 DIADLP CC[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CC1(C)C ZINC001474472638 1062151797 /nfs/dbraw/zinc/15/17/97/1062151797.db2.gz BIPQACNGZUUABQ-MSOLQXFVSA-N 2 2 306.538 4.447 20 0 DIADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001474479336 1062157680 /nfs/dbraw/zinc/15/76/80/1062157680.db2.gz NYUHFDDQBCNGLL-IBGZPJMESA-N 2 2 302.506 4.028 20 0 DIADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001474479336 1062157685 /nfs/dbraw/zinc/15/76/85/1062157685.db2.gz NYUHFDDQBCNGLL-IBGZPJMESA-N 2 2 302.506 4.028 20 0 DIADLP C[N@H+](Cc1sc2ccccc2c1Cl)[C@H]1CCC[NH+](C)CC1 ZINC001254524878 1062160656 /nfs/dbraw/zinc/16/06/56/1062160656.db2.gz DIFIAYNKGRYXNH-ZDUSSCGKSA-N 2 2 322.905 4.471 20 0 DIADLP C[N@@H+](Cc1sc2ccccc2c1Cl)[C@H]1CCC[NH+](C)CC1 ZINC001254524878 1062160664 /nfs/dbraw/zinc/16/06/64/1062160664.db2.gz DIFIAYNKGRYXNH-ZDUSSCGKSA-N 2 2 322.905 4.471 20 0 DIADLP C[NH+](Cc1sc2ccccc2c1Cl)[C@H]1CCC[N@H+](C)CC1 ZINC001254524878 1062160675 /nfs/dbraw/zinc/16/06/75/1062160675.db2.gz DIFIAYNKGRYXNH-ZDUSSCGKSA-N 2 2 322.905 4.471 20 0 DIADLP C[NH+](Cc1sc2ccccc2c1Cl)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524878 1062160686 /nfs/dbraw/zinc/16/06/86/1062160686.db2.gz DIFIAYNKGRYXNH-ZDUSSCGKSA-N 2 2 322.905 4.471 20 0 DIADLP CC[C@H]1CCCC[C@@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505030 1062187852 /nfs/dbraw/zinc/18/78/52/1062187852.db2.gz NTYPWGIYAFUFOU-ZWKOTPCHSA-N 2 2 318.505 4.392 20 0 DIADLP CC[C@H]1CCCC[C@@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505030 1062187861 /nfs/dbraw/zinc/18/78/61/1062187861.db2.gz NTYPWGIYAFUFOU-ZWKOTPCHSA-N 2 2 318.505 4.392 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001474623661 1062347220 /nfs/dbraw/zinc/34/72/20/1062347220.db2.gz XSYQJCPXNXFLSD-OLZOCXBDSA-N 2 2 314.926 4.185 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001474623661 1062347244 /nfs/dbraw/zinc/34/72/44/1062347244.db2.gz XSYQJCPXNXFLSD-OLZOCXBDSA-N 2 2 314.926 4.185 20 0 DIADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630585 1062351872 /nfs/dbraw/zinc/35/18/72/1062351872.db2.gz NQUJSMMHSHNOSB-RDJZCZTQSA-N 2 2 306.519 4.066 20 0 DIADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001474630585 1062351898 /nfs/dbraw/zinc/35/18/98/1062351898.db2.gz NQUJSMMHSHNOSB-RDJZCZTQSA-N 2 2 306.519 4.066 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630649 1062352507 /nfs/dbraw/zinc/35/25/07/1062352507.db2.gz PIWAPEXWAVZXAB-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001474630649 1062352527 /nfs/dbraw/zinc/35/25/27/1062352527.db2.gz PIWAPEXWAVZXAB-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCC(C)(C)CC1)c1ccccc1 ZINC001474640991 1062366650 /nfs/dbraw/zinc/36/66/50/1062366650.db2.gz SEFJVMFKUOYXHH-SFHVURJKSA-N 2 2 311.473 4.262 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658015 1062391060 /nfs/dbraw/zinc/39/10/60/1062391060.db2.gz BJGAIOMKQYQVAP-JBACZVJFSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658015 1062391079 /nfs/dbraw/zinc/39/10/79/1062391079.db2.gz BJGAIOMKQYQVAP-JBACZVJFSA-N 2 2 312.501 4.004 20 0 DIADLP CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001255316622 1062391554 /nfs/dbraw/zinc/39/15/54/1062391554.db2.gz FGUZCKRJYLVNJG-MRXNPFEDSA-N 2 2 306.469 4.267 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001474666931 1062394859 /nfs/dbraw/zinc/39/48/59/1062394859.db2.gz UVCUVXVBPHEACN-SFHLNBCPSA-N 2 2 312.501 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001474666931 1062394880 /nfs/dbraw/zinc/39/48/80/1062394880.db2.gz UVCUVXVBPHEACN-SFHLNBCPSA-N 2 2 312.501 4.233 20 0 DIADLP CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001255318033 1062395975 /nfs/dbraw/zinc/39/59/75/1062395975.db2.gz VFWDIJQPQKSWCC-HNNXBMFYSA-N 2 2 306.469 4.267 20 0 DIADLP CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001255317164 1062396172 /nfs/dbraw/zinc/39/61/72/1062396172.db2.gz LKVQACGIQFDPOD-INIZCTEOSA-N 2 2 306.469 4.267 20 0 DIADLP CCCC[C@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255334447 1062409585 /nfs/dbraw/zinc/40/95/85/1062409585.db2.gz RDFOHIIJVMKUIA-INIZCTEOSA-N 2 2 306.469 4.301 20 0 DIADLP CCCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255334447 1062409592 /nfs/dbraw/zinc/40/95/92/1062409592.db2.gz RDFOHIIJVMKUIA-INIZCTEOSA-N 2 2 306.469 4.301 20 0 DIADLP Fc1cccc2c1C[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404560 1062439487 /nfs/dbraw/zinc/43/94/87/1062439487.db2.gz KHQVXOHRMXJSJM-LJQANCHMSA-N 2 2 324.443 4.196 20 0 DIADLP Fc1cccc2c1C[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404560 1062439505 /nfs/dbraw/zinc/43/95/05/1062439505.db2.gz KHQVXOHRMXJSJM-LJQANCHMSA-N 2 2 324.443 4.196 20 0 DIADLP Fc1cccc2c1C[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255404560 1062439519 /nfs/dbraw/zinc/43/95/19/1062439519.db2.gz KHQVXOHRMXJSJM-LJQANCHMSA-N 2 2 324.443 4.196 20 0 DIADLP Fc1cccc2c1C[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255404560 1062439532 /nfs/dbraw/zinc/43/95/32/1062439532.db2.gz KHQVXOHRMXJSJM-LJQANCHMSA-N 2 2 324.443 4.196 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474744999 1062459994 /nfs/dbraw/zinc/45/99/94/1062459994.db2.gz NZEDTLACCFPWJX-GJZGRUSLSA-N 2 2 308.897 4.154 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474744999 1062460004 /nfs/dbraw/zinc/46/00/04/1062460004.db2.gz NZEDTLACCFPWJX-GJZGRUSLSA-N 2 2 308.897 4.154 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001459959231 1062528176 /nfs/dbraw/zinc/52/81/76/1062528176.db2.gz AUSDSLLNUUCHBN-PWRODBHTSA-N 2 2 314.517 4.250 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001459959231 1062528188 /nfs/dbraw/zinc/52/81/88/1062528188.db2.gz AUSDSLLNUUCHBN-PWRODBHTSA-N 2 2 314.517 4.250 20 0 DIADLP CC(C)[N@H+]([C@H](C)CSc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255752234 1062573691 /nfs/dbraw/zinc/57/36/91/1062573691.db2.gz XKXQMBUZFDMTKJ-OAHLLOKOSA-N 2 2 324.509 4.111 20 0 DIADLP CC(C)[N@@H+]([C@H](C)CSc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255752234 1062573713 /nfs/dbraw/zinc/57/37/13/1062573713.db2.gz XKXQMBUZFDMTKJ-OAHLLOKOSA-N 2 2 324.509 4.111 20 0 DIADLP Cc1ccc(SC[C@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)cc1 ZINC001255771659 1062593548 /nfs/dbraw/zinc/59/35/48/1062593548.db2.gz URDOQYWFIDQCNN-HOTGVXAUSA-N 2 2 315.486 4.012 20 0 DIADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1Cl ZINC001460088269 1062627179 /nfs/dbraw/zinc/62/71/79/1062627179.db2.gz HUTLGNFIGUCNDV-HNNXBMFYSA-N 2 2 319.880 4.335 20 0 DIADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1Cl ZINC001460088269 1062627188 /nfs/dbraw/zinc/62/71/88/1062627188.db2.gz HUTLGNFIGUCNDV-HNNXBMFYSA-N 2 2 319.880 4.335 20 0 DIADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccccc1Cl ZINC001460088270 1062629245 /nfs/dbraw/zinc/62/92/45/1062629245.db2.gz HUTLGNFIGUCNDV-OAHLLOKOSA-N 2 2 319.880 4.335 20 0 DIADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccccc1Cl ZINC001460088270 1062629250 /nfs/dbraw/zinc/62/92/50/1062629250.db2.gz HUTLGNFIGUCNDV-OAHLLOKOSA-N 2 2 319.880 4.335 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255877294 1062648237 /nfs/dbraw/zinc/64/82/37/1062648237.db2.gz FQWDOBWXDWEGPH-MRXNPFEDSA-N 2 2 323.415 4.074 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255877294 1062648256 /nfs/dbraw/zinc/64/82/56/1062648256.db2.gz FQWDOBWXDWEGPH-MRXNPFEDSA-N 2 2 323.415 4.074 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2CCCCCC2)CC1 ZINC001255894240 1062659844 /nfs/dbraw/zinc/65/98/44/1062659844.db2.gz VTPKCRMRIKLESV-UHFFFAOYSA-N 2 2 318.480 4.445 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2CCCCCC2)CC1 ZINC001255894240 1062659851 /nfs/dbraw/zinc/65/98/51/1062659851.db2.gz VTPKCRMRIKLESV-UHFFFAOYSA-N 2 2 318.480 4.445 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001255968715 1062673722 /nfs/dbraw/zinc/67/37/22/1062673722.db2.gz GAXWWUWXKKMXCN-KBXCAEBGSA-N 2 2 310.432 4.222 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001255968715 1062673738 /nfs/dbraw/zinc/67/37/38/1062673738.db2.gz GAXWWUWXKKMXCN-KBXCAEBGSA-N 2 2 310.432 4.222 20 0 DIADLP CC1(C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC1(F)F ZINC001256604056 1062912770 /nfs/dbraw/zinc/91/27/70/1062912770.db2.gz MKHFIBRVETVZDH-UHFFFAOYSA-N 2 2 322.443 4.018 20 0 DIADLP CC1(C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCC1(F)F ZINC001256604056 1062912797 /nfs/dbraw/zinc/91/27/97/1062912797.db2.gz MKHFIBRVETVZDH-UHFFFAOYSA-N 2 2 322.443 4.018 20 0 DIADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC001256609189 1062915694 /nfs/dbraw/zinc/91/56/94/1062915694.db2.gz JRYBOZUSPPVPFU-OAQYLSRUSA-N 2 2 306.453 4.098 20 0 DIADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC001256609189 1062915713 /nfs/dbraw/zinc/91/57/13/1062915713.db2.gz JRYBOZUSPPVPFU-OAQYLSRUSA-N 2 2 306.453 4.098 20 0 DIADLP C[C@H]1CC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256612651 1062920275 /nfs/dbraw/zinc/92/02/75/1062920275.db2.gz OWAZJSCGXNFQKG-UAPYVXQJSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256612651 1062920287 /nfs/dbraw/zinc/92/02/87/1062920287.db2.gz OWAZJSCGXNFQKG-UAPYVXQJSA-N 2 2 300.490 4.162 20 0 DIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001460713184 1063006636 /nfs/dbraw/zinc/00/66/36/1063006636.db2.gz YUZCTJIBSWPOET-UHFFFAOYSA-N 2 2 304.453 4.056 20 0 DIADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727661 1063019515 /nfs/dbraw/zinc/01/95/15/1063019515.db2.gz KVBGUWCIVGWYBL-MOPGFXCFSA-N 2 2 312.482 4.084 20 0 DIADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727661 1063019537 /nfs/dbraw/zinc/01/95/37/1063019537.db2.gz KVBGUWCIVGWYBL-MOPGFXCFSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727661 1063019558 /nfs/dbraw/zinc/01/95/58/1063019558.db2.gz KVBGUWCIVGWYBL-MOPGFXCFSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727661 1063019577 /nfs/dbraw/zinc/01/95/77/1063019577.db2.gz KVBGUWCIVGWYBL-MOPGFXCFSA-N 2 2 312.482 4.084 20 0 DIADLP CCC[C@H](CC)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001257268938 1063173723 /nfs/dbraw/zinc/17/37/23/1063173723.db2.gz ISQDOOTWYWYECO-SFHVURJKSA-N 2 2 306.469 4.301 20 0 DIADLP CCC[C@H](CC)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001257268938 1063173742 /nfs/dbraw/zinc/17/37/42/1063173742.db2.gz ISQDOOTWYWYECO-SFHVURJKSA-N 2 2 306.469 4.301 20 0 DIADLP CCC[C@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001257308093 1063193636 /nfs/dbraw/zinc/19/36/36/1063193636.db2.gz GMZFEQNJITUHNL-SFHVURJKSA-N 2 2 322.496 4.486 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC001461025132 1063195910 /nfs/dbraw/zinc/19/59/10/1063195910.db2.gz ZRORZTBONPECJX-GOSISDBHSA-N 2 2 309.438 4.175 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC001461025134 1063196536 /nfs/dbraw/zinc/19/65/36/1063196536.db2.gz ZRORZTBONPECJX-SFHVURJKSA-N 2 2 309.438 4.175 20 0 DIADLP CCCC(CCC)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337152 1063215311 /nfs/dbraw/zinc/21/53/11/1063215311.db2.gz RYHNAZBNQFEPNW-NVXWUHKLSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337152 1063215330 /nfs/dbraw/zinc/21/53/30/1063215330.db2.gz RYHNAZBNQFEPNW-NVXWUHKLSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257337152 1063215350 /nfs/dbraw/zinc/21/53/50/1063215350.db2.gz RYHNAZBNQFEPNW-NVXWUHKLSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257337152 1063215372 /nfs/dbraw/zinc/21/53/72/1063215372.db2.gz RYHNAZBNQFEPNW-NVXWUHKLSA-N 2 2 321.534 4.008 20 0 DIADLP CC1CC[NH+]([C@H](C[NH2+]C2CCCCC2)c2ccccc2)CC1 ZINC001461091319 1063247755 /nfs/dbraw/zinc/24/77/55/1063247755.db2.gz JVEMLDQUGWUZMW-HXUWFJFHSA-N 2 2 300.490 4.382 20 0 DIADLP CC(C)OC1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001257885849 1063425281 /nfs/dbraw/zinc/42/52/81/1063425281.db2.gz XNSZWWOVBWWSAA-UHFFFAOYSA-N 2 2 322.537 4.061 20 0 DIADLP CC(C)OC1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001257885849 1063425299 /nfs/dbraw/zinc/42/52/99/1063425299.db2.gz XNSZWWOVBWWSAA-UHFFFAOYSA-N 2 2 322.537 4.061 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001258059326 1063487983 /nfs/dbraw/zinc/48/79/83/1063487983.db2.gz ZCCQRFMNKLJHEW-IRXDYDNUSA-N 2 2 303.494 4.101 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258056950 1063488230 /nfs/dbraw/zinc/48/82/30/1063488230.db2.gz BJEKJRTWRHHGOO-MSOLQXFVSA-N 2 2 317.521 4.348 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258077994 1063506040 /nfs/dbraw/zinc/50/60/40/1063506040.db2.gz PQRBMEYPHBLGEX-HZPDHXFCSA-N 2 2 321.484 4.240 20 0 DIADLP C[C@@H]1CC([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC001258160016 1063535933 /nfs/dbraw/zinc/53/59/33/1063535933.db2.gz PGXOWIXWQWQWKB-ROUUACIJSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@@H]1CC([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC001258160016 1063535949 /nfs/dbraw/zinc/53/59/49/1063535949.db2.gz PGXOWIXWQWQWKB-ROUUACIJSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@@H](Cc1ccco1)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001258172778 1063543357 /nfs/dbraw/zinc/54/33/57/1063543357.db2.gz RDPWUJLQJDDNBU-ZLGUVYLKSA-N 2 2 320.436 4.242 20 0 DIADLP Cc1cc(CNc2cc3c(c[nH+]2)CCCC3)c2c([nH+]1)CCCC2 ZINC001461537448 1063565621 /nfs/dbraw/zinc/56/56/21/1063565621.db2.gz FONGUGOSVVHWFG-UHFFFAOYSA-N 2 2 307.441 4.155 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258306206 1063600052 /nfs/dbraw/zinc/60/00/52/1063600052.db2.gz KQFPQAYWERWDEO-QAPCUYQASA-N 2 2 324.534 4.144 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258306206 1063600070 /nfs/dbraw/zinc/60/00/70/1063600070.db2.gz KQFPQAYWERWDEO-QAPCUYQASA-N 2 2 324.534 4.144 20 0 DIADLP CSC(C)(C)C[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258350067 1063622504 /nfs/dbraw/zinc/62/25/04/1063622504.db2.gz VSHFFGZOGFXGCH-OAHLLOKOSA-N 2 2 312.567 4.245 20 0 DIADLP CSC(C)(C)C[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258350067 1063622515 /nfs/dbraw/zinc/62/25/15/1063622515.db2.gz VSHFFGZOGFXGCH-OAHLLOKOSA-N 2 2 312.567 4.245 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC(C)(C)C2)CC1 ZINC001258608598 1063707865 /nfs/dbraw/zinc/70/78/65/1063707865.db2.gz LRIDKKNZIMXOBF-LJQANCHMSA-N 2 2 318.480 4.301 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC(C)(C)C2)CC1 ZINC001258608598 1063707879 /nfs/dbraw/zinc/70/78/79/1063707879.db2.gz LRIDKKNZIMXOBF-LJQANCHMSA-N 2 2 318.480 4.301 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258661068 1063731235 /nfs/dbraw/zinc/73/12/35/1063731235.db2.gz NMHVVFCAVZKKPA-FQEVSTJZSA-N 2 2 302.506 4.202 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258661068 1063731249 /nfs/dbraw/zinc/73/12/49/1063731249.db2.gz NMHVVFCAVZKKPA-FQEVSTJZSA-N 2 2 302.506 4.202 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001461814089 1063732217 /nfs/dbraw/zinc/73/22/17/1063732217.db2.gz YKHWTZJAUXOCLI-UHFFFAOYSA-N 2 2 306.538 4.447 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001461814089 1063732236 /nfs/dbraw/zinc/73/22/36/1063732236.db2.gz YKHWTZJAUXOCLI-UHFFFAOYSA-N 2 2 306.538 4.447 20 0 DIADLP C[C@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258691688 1063755163 /nfs/dbraw/zinc/75/51/63/1063755163.db2.gz HDPVPKAAVNMJTP-XSLAGTTESA-N 2 2 315.505 4.373 20 0 DIADLP CCCC[C@H](Cc1ccccc1)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001258712082 1063767429 /nfs/dbraw/zinc/76/74/29/1063767429.db2.gz OPKNDFPTVIOJQT-HXUWFJFHSA-N 2 2 302.506 4.204 20 0 DIADLP CCCC[C@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001258712082 1063767442 /nfs/dbraw/zinc/76/74/42/1063767442.db2.gz OPKNDFPTVIOJQT-HXUWFJFHSA-N 2 2 302.506 4.204 20 0 DIADLP CCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258710181 1063768128 /nfs/dbraw/zinc/76/81/28/1063768128.db2.gz OIFJFVYBTVRAQG-LJQANCHMSA-N 2 2 307.441 4.225 20 0 DIADLP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001258750856 1063797690 /nfs/dbraw/zinc/79/76/90/1063797690.db2.gz BZBMGGMTQAUGSS-INIZCTEOSA-N 2 2 320.908 4.221 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001461918395 1063800418 /nfs/dbraw/zinc/80/04/18/1063800418.db2.gz ALENDFVCZCSGIM-MRXNPFEDSA-N 2 2 324.896 4.045 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001461918395 1063800436 /nfs/dbraw/zinc/80/04/36/1063800436.db2.gz ALENDFVCZCSGIM-MRXNPFEDSA-N 2 2 324.896 4.045 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001461918395 1063800453 /nfs/dbraw/zinc/80/04/53/1063800453.db2.gz ALENDFVCZCSGIM-MRXNPFEDSA-N 2 2 324.896 4.045 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001461918395 1063800469 /nfs/dbraw/zinc/80/04/69/1063800469.db2.gz ALENDFVCZCSGIM-MRXNPFEDSA-N 2 2 324.896 4.045 20 0 DIADLP CCCC[C@@H](CCC)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258763801 1063809544 /nfs/dbraw/zinc/80/95/44/1063809544.db2.gz DBYBTLUWMCKCHA-OAHLLOKOSA-N 2 2 307.457 4.138 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258812327 1063842984 /nfs/dbraw/zinc/84/29/84/1063842984.db2.gz DQZRFCOJIQVIAM-DNVCBOLYSA-N 2 2 318.480 4.267 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC001258815586 1063845979 /nfs/dbraw/zinc/84/59/79/1063845979.db2.gz YVEVFXMOENHGGB-YWZLYKJASA-N 2 2 318.480 4.267 20 0 DIADLP C[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819734 1063848028 /nfs/dbraw/zinc/84/80/28/1063848028.db2.gz SLBCIBIVXBZLHX-YLJYHZDGSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819734 1063848039 /nfs/dbraw/zinc/84/80/39/1063848039.db2.gz SLBCIBIVXBZLHX-YLJYHZDGSA-N 2 2 300.490 4.162 20 0 DIADLP CC[C@H](Cc1ccccc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258843707 1063863988 /nfs/dbraw/zinc/86/39/88/1063863988.db2.gz IBWCBIPNGUTBFM-LJQANCHMSA-N 2 2 305.425 4.203 20 0 DIADLP CC[C@H](Cc1ccccc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258843353 1063865073 /nfs/dbraw/zinc/86/50/73/1063865073.db2.gz DIXMGIZZJDQYPK-LJQANCHMSA-N 2 2 305.425 4.203 20 0 DIADLP CC1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390526985 1064162690 /nfs/dbraw/zinc/16/26/90/1064162690.db2.gz JOROHEDZXPTTCP-IBGZPJMESA-N 2 2 300.490 4.209 20 0 DIADLP CC1(C)CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390526985 1064162694 /nfs/dbraw/zinc/16/26/94/1064162694.db2.gz JOROHEDZXPTTCP-IBGZPJMESA-N 2 2 300.490 4.209 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000643458796 1064411899 /nfs/dbraw/zinc/41/18/99/1064411899.db2.gz CCFXPDHXDJOZOO-AXHNFQJDSA-N 2 2 316.395 4.109 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1F ZINC000650743441 1064591341 /nfs/dbraw/zinc/59/13/41/1064591341.db2.gz TULUDYRIELMCCW-VDGAXYAQSA-N 2 2 312.432 4.360 20 0 DIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\C1CCCCCC1 ZINC001293588741 1064820233 /nfs/dbraw/zinc/82/02/33/1064820233.db2.gz DPHAXYSQJUYQGN-HJWRWDBZSA-N 2 2 324.428 4.041 20 0 DIADLP CC(C)c1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001306946686 1065215995 /nfs/dbraw/zinc/21/59/95/1065215995.db2.gz MWWXNFDVVOJHLH-INIZCTEOSA-N 2 2 318.509 4.256 20 0 DIADLP CC(C)c1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001306946686 1065216004 /nfs/dbraw/zinc/21/60/04/1065216004.db2.gz MWWXNFDVVOJHLH-INIZCTEOSA-N 2 2 318.509 4.256 20 0 DIADLP CC(C)C[N@@H+]1CC[C@@H](CNc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001307000880 1065245213 /nfs/dbraw/zinc/24/52/13/1065245213.db2.gz KIZWXFHESNGWMR-INIZCTEOSA-N 2 2 318.509 4.113 20 0 DIADLP CC(C)C[N@H+]1CC[C@@H](CNc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001307000880 1065245227 /nfs/dbraw/zinc/24/52/27/1065245227.db2.gz KIZWXFHESNGWMR-INIZCTEOSA-N 2 2 318.509 4.113 20 0 DIADLP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517879 1065458053 /nfs/dbraw/zinc/45/80/53/1065458053.db2.gz GKLVNXHFEAHQIA-UWJYYQICSA-N 2 2 317.436 4.250 20 0 DIADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517879 1065458057 /nfs/dbraw/zinc/45/80/57/1065458057.db2.gz GKLVNXHFEAHQIA-UWJYYQICSA-N 2 2 317.436 4.250 20 0 DIADLP Cc1ccccc1SC[C@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001307566253 1065486128 /nfs/dbraw/zinc/48/61/28/1065486128.db2.gz HGCTVZHYCXDVLI-SJLPKXTDSA-N 2 2 320.546 4.186 20 0 DIADLP Cc1ccccc1SC[C@H](C)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001307566253 1065486136 /nfs/dbraw/zinc/48/61/36/1065486136.db2.gz HGCTVZHYCXDVLI-SJLPKXTDSA-N 2 2 320.546 4.186 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001307648090 1065539188 /nfs/dbraw/zinc/53/91/88/1065539188.db2.gz JUJRFQUKBDDNGV-UHFFFAOYSA-N 2 2 307.441 4.121 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001307648090 1065539201 /nfs/dbraw/zinc/53/92/01/1065539201.db2.gz JUJRFQUKBDDNGV-UHFFFAOYSA-N 2 2 307.441 4.121 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]C2(Cc3ccccc3)CCCC2)C1 ZINC001307670697 1065553480 /nfs/dbraw/zinc/55/34/80/1065553480.db2.gz UUQHZBSIJAEHEV-KDURUIRLSA-N 2 2 314.517 4.109 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]C2(Cc3ccccc3)CCCC2)C1 ZINC001307670697 1065553493 /nfs/dbraw/zinc/55/34/93/1065553493.db2.gz UUQHZBSIJAEHEV-KDURUIRLSA-N 2 2 314.517 4.109 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001307982900 1065711149 /nfs/dbraw/zinc/71/11/49/1065711149.db2.gz UAWXODLFSHXNHK-SFHVURJKSA-N 2 2 318.892 4.278 20 0 DIADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC001308053461 1065741125 /nfs/dbraw/zinc/74/11/25/1065741125.db2.gz SPJUEOYDFJLMHQ-OALUTQOASA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC001308053461 1065741128 /nfs/dbraw/zinc/74/11/28/1065741128.db2.gz SPJUEOYDFJLMHQ-OALUTQOASA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC001308053461 1065741138 /nfs/dbraw/zinc/74/11/38/1065741138.db2.gz SPJUEOYDFJLMHQ-OALUTQOASA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC001308053461 1065741147 /nfs/dbraw/zinc/74/11/47/1065741147.db2.gz SPJUEOYDFJLMHQ-OALUTQOASA-N 2 2 300.490 4.043 20 0 DIADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)[nH+]c1C ZINC001308083037 1065754642 /nfs/dbraw/zinc/75/46/42/1065754642.db2.gz PKSCQKAFYGUVHB-UHFFFAOYSA-N 2 2 321.827 4.199 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Cl ZINC001308189142 1065799631 /nfs/dbraw/zinc/79/96/31/1065799631.db2.gz SWGLUSJKMLQIEA-UHFFFAOYSA-N 2 2 313.272 4.018 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001308219596 1065825906 /nfs/dbraw/zinc/82/59/06/1065825906.db2.gz HINDJARQJNJGIM-MISYRCLQSA-N 2 2 300.490 4.238 20 0 DIADLP CCc1ccccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280841 1065881002 /nfs/dbraw/zinc/88/10/02/1065881002.db2.gz YHXQBVPPZGVSOU-NRFANRHFSA-N 2 2 322.496 4.392 20 0 DIADLP CCc1ccccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280841 1065881019 /nfs/dbraw/zinc/88/10/19/1065881019.db2.gz YHXQBVPPZGVSOU-NRFANRHFSA-N 2 2 322.496 4.392 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001308322398 1065913444 /nfs/dbraw/zinc/91/34/44/1065913444.db2.gz MVRDIBRLCPSZJX-JTSKRJEESA-N 2 2 320.480 4.234 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001308322398 1065913452 /nfs/dbraw/zinc/91/34/52/1065913452.db2.gz MVRDIBRLCPSZJX-JTSKRJEESA-N 2 2 320.480 4.234 20 0 DIADLP CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001308359079 1065938129 /nfs/dbraw/zinc/93/81/29/1065938129.db2.gz BZTQSEZSZYCJAV-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360293 1065938829 /nfs/dbraw/zinc/93/88/29/1065938829.db2.gz MCXVQINSCDJPEP-RXYHWBRQSA-N 2 2 321.399 4.375 20 0 DIADLP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360297 1065939475 /nfs/dbraw/zinc/93/94/75/1065939475.db2.gz MCXVQINSCDJPEP-YPQKKHBXSA-N 2 2 321.399 4.375 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592912 1066104913 /nfs/dbraw/zinc/10/49/13/1066104913.db2.gz OVKVCKURXRJVOJ-CENDIDJXSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592912 1066104917 /nfs/dbraw/zinc/10/49/17/1066104917.db2.gz OVKVCKURXRJVOJ-CENDIDJXSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592912 1066104922 /nfs/dbraw/zinc/10/49/22/1066104922.db2.gz OVKVCKURXRJVOJ-CENDIDJXSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592912 1066104925 /nfs/dbraw/zinc/10/49/25/1066104925.db2.gz OVKVCKURXRJVOJ-CENDIDJXSA-N 2 2 304.522 4.316 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001308593213 1066105492 /nfs/dbraw/zinc/10/54/92/1066105492.db2.gz GNSBCDSHTIRLAF-MRXNPFEDSA-N 2 2 306.494 4.049 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001308593213 1066105496 /nfs/dbraw/zinc/10/54/96/1066105496.db2.gz GNSBCDSHTIRLAF-MRXNPFEDSA-N 2 2 306.494 4.049 20 0 DIADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632601 1066127639 /nfs/dbraw/zinc/12/76/39/1066127639.db2.gz AKIQCCIKGYMALT-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632601 1066127643 /nfs/dbraw/zinc/12/76/43/1066127643.db2.gz AKIQCCIKGYMALT-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632601 1066127647 /nfs/dbraw/zinc/12/76/47/1066127647.db2.gz AKIQCCIKGYMALT-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632601 1066127651 /nfs/dbraw/zinc/12/76/51/1066127651.db2.gz AKIQCCIKGYMALT-IEBWSBKVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632605 1066128204 /nfs/dbraw/zinc/12/82/04/1066128204.db2.gz AKIQCCIKGYMALT-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632605 1066128205 /nfs/dbraw/zinc/12/82/05/1066128205.db2.gz AKIQCCIKGYMALT-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632605 1066128206 /nfs/dbraw/zinc/12/82/06/1066128206.db2.gz AKIQCCIKGYMALT-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1coc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001308632605 1066128209 /nfs/dbraw/zinc/12/82/09/1066128209.db2.gz AKIQCCIKGYMALT-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308851718 1066330648 /nfs/dbraw/zinc/33/06/48/1066330648.db2.gz LPOVFOCTCGFULT-GSEOLPGOSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308851718 1066330666 /nfs/dbraw/zinc/33/06/66/1066330666.db2.gz LPOVFOCTCGFULT-GSEOLPGOSA-N 2 2 314.517 4.311 20 0 DIADLP C([NH2+][C@@H]1CCCCC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864219 1066344118 /nfs/dbraw/zinc/34/41/18/1066344118.db2.gz MKDFNDQYELDUSE-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@@H]1CCCCC12CCCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001308864219 1066344135 /nfs/dbraw/zinc/34/41/35/1066344135.db2.gz MKDFNDQYELDUSE-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864143 1066344957 /nfs/dbraw/zinc/34/49/57/1066344957.db2.gz KRWWXJILTIAJMR-SOAMZJECSA-N 2 2 304.522 4.342 20 0 DIADLP C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001308864143 1066344967 /nfs/dbraw/zinc/34/49/67/1066344967.db2.gz KRWWXJILTIAJMR-SOAMZJECSA-N 2 2 304.522 4.342 20 0 DIADLP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864141 1066344996 /nfs/dbraw/zinc/34/49/96/1066344996.db2.gz KRWWXJILTIAJMR-JRBPQWBISA-N 2 2 304.522 4.342 20 0 DIADLP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001308864141 1066345010 /nfs/dbraw/zinc/34/50/10/1066345010.db2.gz KRWWXJILTIAJMR-JRBPQWBISA-N 2 2 304.522 4.342 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877259 1066356320 /nfs/dbraw/zinc/35/63/20/1066356320.db2.gz ITIRBBJVMGAPDA-QRQLOZEOSA-N 2 2 320.908 4.440 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877259 1066356335 /nfs/dbraw/zinc/35/63/35/1066356335.db2.gz ITIRBBJVMGAPDA-QRQLOZEOSA-N 2 2 320.908 4.440 20 0 DIADLP C[C@H](CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001308916238 1066394478 /nfs/dbraw/zinc/39/44/78/1066394478.db2.gz VFYFALUWMOBKBD-NQIIRXRSSA-N 2 2 319.452 4.408 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308916333 1066394554 /nfs/dbraw/zinc/39/45/54/1066394554.db2.gz WEARZDUEBMXUNM-MISYRCLQSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001308967042 1066423736 /nfs/dbraw/zinc/42/37/36/1066423736.db2.gz IRHKHPKLIIAJTF-XMSQKQJNSA-N 2 2 322.496 4.359 20 0 DIADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001308967042 1066423741 /nfs/dbraw/zinc/42/37/41/1066423741.db2.gz IRHKHPKLIIAJTF-XMSQKQJNSA-N 2 2 322.496 4.359 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)c1 ZINC001308970873 1066425985 /nfs/dbraw/zinc/42/59/85/1066425985.db2.gz OENWVXFVHKZKLL-YVMONPNESA-N 2 2 312.501 4.232 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001308983005 1066431828 /nfs/dbraw/zinc/43/18/28/1066431828.db2.gz JCTRMYNWYBZVBA-DLBZAZTESA-N 2 2 301.478 4.174 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001308983005 1066431830 /nfs/dbraw/zinc/43/18/30/1066431830.db2.gz JCTRMYNWYBZVBA-DLBZAZTESA-N 2 2 301.478 4.174 20 0 DIADLP CSCCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186781911 200009110 /nfs/dbraw/zinc/00/91/10/200009110.db2.gz DNXLJWXUDJIGEG-OAHLLOKOSA-N 2 2 303.475 4.056 20 0 DIADLP c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc4c[nH+]ccc4c3)C2)cc1 ZINC000066099962 184389022 /nfs/dbraw/zinc/38/90/22/184389022.db2.gz AKUKFSSRYRAGER-OAQYLSRUSA-N 2 2 318.420 4.278 20 0 DIADLP c1ccc(C[N@H+]2CCC[C@@H](Oc3ccc4c[nH+]ccc4c3)C2)cc1 ZINC000066099962 184389024 /nfs/dbraw/zinc/38/90/24/184389024.db2.gz AKUKFSSRYRAGER-OAQYLSRUSA-N 2 2 318.420 4.278 20 0 DIADLP C[N@H+](Cc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285525363 131178007 /nfs/dbraw/zinc/17/80/07/131178007.db2.gz OQZIAOPZEAASAN-PBWFPOADSA-N 2 2 313.272 4.050 20 0 DIADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285525363 131178008 /nfs/dbraw/zinc/17/80/08/131178008.db2.gz OQZIAOPZEAASAN-PBWFPOADSA-N 2 2 313.272 4.050 20 0 DIADLP C[NH+](Cc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285525363 131178009 /nfs/dbraw/zinc/17/80/09/131178009.db2.gz OQZIAOPZEAASAN-PBWFPOADSA-N 2 2 313.272 4.050 20 0 DIADLP C[NH+](Cc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285525363 131178010 /nfs/dbraw/zinc/17/80/10/131178010.db2.gz OQZIAOPZEAASAN-PBWFPOADSA-N 2 2 313.272 4.050 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(C)c1 ZINC000285818504 131203593 /nfs/dbraw/zinc/20/35/93/131203593.db2.gz WGGAPHIOBUOAQZ-NRFANRHFSA-N 2 2 323.484 4.095 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000289291137 131371646 /nfs/dbraw/zinc/37/16/46/131371646.db2.gz RBWJKIFSSXYAAX-IIBYNOLFSA-N 2 2 317.436 4.270 20 0 DIADLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000343324793 335087161 /nfs/dbraw/zinc/08/71/61/335087161.db2.gz XSWUDZPHCWJYIK-UHFFFAOYSA-N 2 2 323.415 4.115 20 0 DIADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000343324793 335087163 /nfs/dbraw/zinc/08/71/63/335087163.db2.gz XSWUDZPHCWJYIK-UHFFFAOYSA-N 2 2 323.415 4.115 20 0 DIADLP Cc1ccc(C)c(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000320605499 335093342 /nfs/dbraw/zinc/09/33/42/335093342.db2.gz ZDERSCUJAGBJEK-OAQYLSRUSA-N 2 2 308.469 4.230 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000037320308 331555077 /nfs/dbraw/zinc/55/50/77/331555077.db2.gz LNJUVBUALIYZMF-UWVGGRQHSA-N 2 2 316.207 4.068 20 0 DIADLP CC[C@H](Cc1ccccc1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000557269068 331779382 /nfs/dbraw/zinc/77/93/82/331779382.db2.gz URVSQTKTCHAVQI-GOSISDBHSA-N 2 2 321.468 4.117 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000558400894 331902664 /nfs/dbraw/zinc/90/26/64/331902664.db2.gz AMFVWMZDLOOPQE-UHFFFAOYSA-N 2 2 308.347 4.131 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000558403963 331903124 /nfs/dbraw/zinc/90/31/24/331903124.db2.gz UGACMHBWAXMSIY-KRWDZBQOSA-N 2 2 312.457 4.461 20 0 DIADLP Cc1sccc1C[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000559299261 332019218 /nfs/dbraw/zinc/01/92/18/332019218.db2.gz FLFMZXBCVAWWKW-KDOFPFPSSA-N 2 2 302.487 4.146 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1Cl ZINC000426138652 332055696 /nfs/dbraw/zinc/05/56/96/332055696.db2.gz SXNRCSNDCAQMSB-WCQYABFASA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(Cl)ccc1Cl ZINC000426138652 332055698 /nfs/dbraw/zinc/05/56/98/332055698.db2.gz SXNRCSNDCAQMSB-WCQYABFASA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000569410960 332078243 /nfs/dbraw/zinc/07/82/43/332078243.db2.gz PHQCTEGXKMJJOY-APWZRJJASA-N 2 2 311.473 4.236 20 0 DIADLP FC(F)(F)c1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000091261964 332102279 /nfs/dbraw/zinc/10/22/79/332102279.db2.gz NSZNSAXRHWFJOK-MRXNPFEDSA-N 2 2 323.362 4.033 20 0 DIADLP CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132268014 332126229 /nfs/dbraw/zinc/12/62/29/332126229.db2.gz PNSPDCISPGTXAE-HUUCEWRRSA-N 2 2 303.475 4.055 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000132906116 332134411 /nfs/dbraw/zinc/13/44/11/332134411.db2.gz IDKBURPVYKFONT-CQSZACIVSA-N 2 2 315.486 4.025 20 0 DIADLP CCc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000133091049 332136606 /nfs/dbraw/zinc/13/66/06/332136606.db2.gz OSQGVMYZAVIULW-INIZCTEOSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000317743258 332159393 /nfs/dbraw/zinc/15/93/93/332159393.db2.gz NCMNMKSXSUEAHJ-GFCCVEGCSA-N 2 2 313.367 4.055 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)CCC2 ZINC000363757327 332241501 /nfs/dbraw/zinc/24/15/01/332241501.db2.gz LIFAGEHCKGFPMY-SJORKVTESA-N 2 2 311.473 4.025 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000560246755 332323178 /nfs/dbraw/zinc/32/31/78/332323178.db2.gz SISQZNUJUGXIOQ-HIFRSBDPSA-N 2 2 322.880 4.015 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000560246755 332323179 /nfs/dbraw/zinc/32/31/79/332323179.db2.gz SISQZNUJUGXIOQ-HIFRSBDPSA-N 2 2 322.880 4.015 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000560546857 332356255 /nfs/dbraw/zinc/35/62/55/332356255.db2.gz XMDQCRXAEXICJQ-QGZVFWFLSA-N 2 2 323.465 4.313 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000560546857 332356257 /nfs/dbraw/zinc/35/62/57/332356257.db2.gz XMDQCRXAEXICJQ-QGZVFWFLSA-N 2 2 323.465 4.313 20 0 DIADLP Cc1[nH+]cc(C[NH2+]Cc2sc3ccc(Cl)cc3c2C)n1C ZINC000566496098 332456917 /nfs/dbraw/zinc/45/69/17/332456917.db2.gz AASFJSCORKZEFF-UHFFFAOYSA-N 2 2 319.861 4.195 20 0 DIADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000181738930 332461762 /nfs/dbraw/zinc/46/17/62/332461762.db2.gz GNELAYMSNFSWET-RTBURBONSA-N 2 2 311.473 4.032 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccs2)cc1 ZINC000427878332 332552346 /nfs/dbraw/zinc/55/23/46/332552346.db2.gz QMWYWBOGAOXYEH-RHSMWYFYSA-N 2 2 323.465 4.277 20 0 DIADLP C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000151658649 332599991 /nfs/dbraw/zinc/59/99/91/332599991.db2.gz UKFKZBILURTGQF-HUUCEWRRSA-N 2 2 309.388 4.423 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000569968578 332697616 /nfs/dbraw/zinc/69/76/16/332697616.db2.gz HHAKTLFUPSPNAZ-UHFFFAOYSA-N 2 2 308.347 4.131 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c(C)s1 ZINC000314387213 333107496 /nfs/dbraw/zinc/10/74/96/333107496.db2.gz RPYQYGRMZYPXNJ-CYBMUJFWSA-N 2 2 313.470 4.374 20 0 DIADLP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000187919293 333153254 /nfs/dbraw/zinc/15/32/54/333153254.db2.gz YWKBEYTUIFVFKN-GOEBONIOSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000187919293 333153255 /nfs/dbraw/zinc/15/32/55/333153255.db2.gz YWKBEYTUIFVFKN-GOEBONIOSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000187919293 333153256 /nfs/dbraw/zinc/15/32/56/333153256.db2.gz YWKBEYTUIFVFKN-GOEBONIOSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000187919293 333153257 /nfs/dbraw/zinc/15/32/57/333153257.db2.gz YWKBEYTUIFVFKN-GOEBONIOSA-N 2 2 324.896 4.042 20 0 DIADLP Cc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000390439904 333280168 /nfs/dbraw/zinc/28/01/68/333280168.db2.gz XDCOFETZQPSRAM-KRWDZBQOSA-N 2 2 305.425 4.074 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000390519689 333289307 /nfs/dbraw/zinc/28/93/07/333289307.db2.gz FRLBALDGZMSZQR-WBVHZDCISA-N 2 2 300.471 4.063 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000390519689 333289309 /nfs/dbraw/zinc/28/93/09/333289309.db2.gz FRLBALDGZMSZQR-WBVHZDCISA-N 2 2 300.471 4.063 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390576050 333302964 /nfs/dbraw/zinc/30/29/64/333302964.db2.gz FNSMOWPRIQGRND-PXNSSMCTSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390576050 333302966 /nfs/dbraw/zinc/30/29/66/333302966.db2.gz FNSMOWPRIQGRND-PXNSSMCTSA-N 2 2 324.468 4.010 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880769 333305703 /nfs/dbraw/zinc/30/57/03/333305703.db2.gz PADZGBKSSCUJAG-MSOLQXFVSA-N 2 2 318.480 4.331 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880769 333305704 /nfs/dbraw/zinc/30/57/04/333305704.db2.gz PADZGBKSSCUJAG-MSOLQXFVSA-N 2 2 318.480 4.331 20 0 DIADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000061324862 333427478 /nfs/dbraw/zinc/42/74/78/333427478.db2.gz XNJMFGSUVYWJLA-IAGOWNOFSA-N 2 2 300.471 4.018 20 0 DIADLP Fc1cc2[nH+]ccc(NCCCCn3cc[nH+]c3)c2cc1Cl ZINC000571255581 333690476 /nfs/dbraw/zinc/69/04/76/333690476.db2.gz JQDRBTANCUXIIM-UHFFFAOYSA-N 2 2 318.783 4.116 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000414840516 334112004 /nfs/dbraw/zinc/11/20/04/334112004.db2.gz XEILEYJHDXBPED-SUMWQHHRSA-N 2 2 322.374 4.099 20 0 DIADLP Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1C ZINC000531942676 334302372 /nfs/dbraw/zinc/30/23/72/334302372.db2.gz BQFPTRXVEMNIEU-KRWDZBQOSA-N 2 2 307.441 4.153 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000535204317 334380336 /nfs/dbraw/zinc/38/03/36/334380336.db2.gz BBTBJRBVCZAZPO-SFHVURJKSA-N 2 2 323.415 4.148 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000443645419 338458853 /nfs/dbraw/zinc/45/88/53/338458853.db2.gz UVLOPEAYKJFMIA-UHFFFAOYSA-N 2 2 323.362 4.117 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417351050 334706497 /nfs/dbraw/zinc/70/64/97/334706497.db2.gz AXYFRTUPTZMXJG-INIZCTEOSA-N 2 2 324.468 4.107 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000343988194 335205785 /nfs/dbraw/zinc/20/57/85/335205785.db2.gz YSMHFJBBBKAITH-OAHLLOKOSA-N 2 2 323.465 4.445 20 0 DIADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc(Cl)c1 ZINC000343971936 335208992 /nfs/dbraw/zinc/20/89/92/335208992.db2.gz FBCBKYCKAOUQOF-WBVHZDCISA-N 2 2 317.864 4.463 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344033048 335210887 /nfs/dbraw/zinc/21/08/87/335210887.db2.gz KMHIQXPERUPTPN-GOSISDBHSA-N 2 2 323.415 4.151 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3ccccc3s1)CCC2 ZINC000344546136 335260686 /nfs/dbraw/zinc/26/06/86/335260686.db2.gz KNQOXBBCNLVKEE-HNNXBMFYSA-N 2 2 311.454 4.073 20 0 DIADLP C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346118035 335375950 /nfs/dbraw/zinc/37/59/50/335375950.db2.gz CDFAXKNSNRNUFE-LBPRGKRZSA-N 2 2 303.456 4.188 20 0 DIADLP C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346118035 335375951 /nfs/dbraw/zinc/37/59/51/335375951.db2.gz CDFAXKNSNRNUFE-LBPRGKRZSA-N 2 2 303.456 4.188 20 0 DIADLP C[C@H](c1ccco1)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346130411 335379333 /nfs/dbraw/zinc/37/93/33/335379333.db2.gz IFWUOBGNYDHEPH-CYBMUJFWSA-N 2 2 313.426 4.252 20 0 DIADLP C[C@H](c1ccco1)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346130411 335379334 /nfs/dbraw/zinc/37/93/34/335379334.db2.gz IFWUOBGNYDHEPH-CYBMUJFWSA-N 2 2 313.426 4.252 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1csc(Cl)c1 ZINC000191175905 335629721 /nfs/dbraw/zinc/62/97/21/335629721.db2.gz FGSQUBQVOHWPTL-LBPRGKRZSA-N 2 2 321.877 4.116 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000323817787 335632130 /nfs/dbraw/zinc/63/21/30/335632130.db2.gz CVVVWOIXKBJVQL-DYESRHJHSA-N 2 2 324.468 4.183 20 0 DIADLP C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532225291 335920470 /nfs/dbraw/zinc/92/04/70/335920470.db2.gz MAEVLSMEWFHNNG-INIZCTEOSA-N 2 2 323.415 4.295 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000351776189 336068401 /nfs/dbraw/zinc/06/84/01/336068401.db2.gz ZAQXXFZNINANJI-JXFKEZNVSA-N 2 2 309.457 4.234 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000351776189 336068403 /nfs/dbraw/zinc/06/84/03/336068403.db2.gz ZAQXXFZNINANJI-JXFKEZNVSA-N 2 2 309.457 4.234 20 0 DIADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccccc1OC ZINC000324155740 336097221 /nfs/dbraw/zinc/09/72/21/336097221.db2.gz BGAYXTXJLSMSOU-KRWDZBQOSA-N 2 2 323.440 4.094 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352365758 336214028 /nfs/dbraw/zinc/21/40/28/336214028.db2.gz WMHQBCPTULZNGN-QGZVFWFLSA-N 2 2 310.441 4.303 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000352368034 336214532 /nfs/dbraw/zinc/21/45/32/336214532.db2.gz DMAKICPCFFPBDI-HNNXBMFYSA-N 2 2 314.404 4.134 20 0 DIADLP Clc1ccc([C@H]2CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000352679426 336230039 /nfs/dbraw/zinc/23/00/39/336230039.db2.gz ZWJIMOCHEXMVCC-LJQANCHMSA-N 2 2 323.827 4.473 20 0 DIADLP Clc1ccc([C@H]2CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000352679426 336230040 /nfs/dbraw/zinc/23/00/40/336230040.db2.gz ZWJIMOCHEXMVCC-LJQANCHMSA-N 2 2 323.827 4.473 20 0 DIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)s1 ZINC000352808606 336243632 /nfs/dbraw/zinc/24/36/32/336243632.db2.gz AMEQSDYLYRHLBK-KRWDZBQOSA-N 2 2 317.502 4.082 20 0 DIADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352812792 336246597 /nfs/dbraw/zinc/24/65/97/336246597.db2.gz IEKSKGGHASPYKN-OAHLLOKOSA-N 2 2 323.893 4.099 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000532475782 336251162 /nfs/dbraw/zinc/25/11/62/336251162.db2.gz LTJQBSBPWMDSCL-OAHLLOKOSA-N 2 2 314.498 4.236 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000532475782 336251163 /nfs/dbraw/zinc/25/11/63/336251163.db2.gz LTJQBSBPWMDSCL-OAHLLOKOSA-N 2 2 314.498 4.236 20 0 DIADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000532511430 336253037 /nfs/dbraw/zinc/25/30/37/336253037.db2.gz CADIHJXHQILKAL-HOTGVXAUSA-N 2 2 323.444 4.062 20 0 DIADLP C[C@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000532516364 336253308 /nfs/dbraw/zinc/25/33/08/336253308.db2.gz YOVSETYMYDJLCQ-QGZVFWFLSA-N 2 2 305.425 4.108 20 0 DIADLP C[C@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000532516364 336253309 /nfs/dbraw/zinc/25/33/09/336253309.db2.gz YOVSETYMYDJLCQ-QGZVFWFLSA-N 2 2 305.425 4.108 20 0 DIADLP CCCc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000324829044 336261088 /nfs/dbraw/zinc/26/10/88/336261088.db2.gz FOXMLRVUFVGCBH-KRWDZBQOSA-N 2 2 323.484 4.354 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)cc1 ZINC000324918393 336273757 /nfs/dbraw/zinc/27/37/57/336273757.db2.gz YZEFDSZDUUZKJW-NHCUHLMSSA-N 2 2 322.452 4.195 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000324918393 336273758 /nfs/dbraw/zinc/27/37/58/336273758.db2.gz YZEFDSZDUUZKJW-NHCUHLMSSA-N 2 2 322.452 4.195 20 0 DIADLP FC(F)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000526978432 336277700 /nfs/dbraw/zinc/27/77/00/336277700.db2.gz CMXZJMDBBSWKME-UHFFFAOYSA-N 2 2 305.372 4.001 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000192872209 336278367 /nfs/dbraw/zinc/27/83/67/336278367.db2.gz ZOBKDJNNXCRCNS-NQIIRXRSSA-N 2 2 323.484 4.025 20 0 DIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000192872209 336278368 /nfs/dbraw/zinc/27/83/68/336278368.db2.gz ZOBKDJNNXCRCNS-NQIIRXRSSA-N 2 2 323.484 4.025 20 0 DIADLP Cc1cc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nc(C(C)C)[nH+]1 ZINC000301457650 336308007 /nfs/dbraw/zinc/30/80/07/336308007.db2.gz IBBMPBQHZZPWSB-HNNXBMFYSA-N 2 2 321.428 4.267 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc[nH+]cc2Cl)cc1 ZINC000301746561 336327252 /nfs/dbraw/zinc/32/72/52/336327252.db2.gz PWPJMIQIENVTEC-GFCCVEGCSA-N 2 2 312.804 4.402 20 0 DIADLP CCc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301786008 336329767 /nfs/dbraw/zinc/32/97/67/336329767.db2.gz LCSJZULLTIWXCP-FOIQADDNSA-N 2 2 320.440 4.081 20 0 DIADLP CC(C)c1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301799895 336330819 /nfs/dbraw/zinc/33/08/19/336330819.db2.gz BPQKDAYSXKEQBX-HNNXBMFYSA-N 2 2 316.449 4.031 20 0 DIADLP CCc1c(C)[nH+]c2ccccc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000301983200 336341358 /nfs/dbraw/zinc/34/13/58/336341358.db2.gz ASMKBUGUVNNIAG-UHFFFAOYSA-N 2 2 320.440 4.144 20 0 DIADLP Cc1cc(NCc2cn3cccc(C)c3[nH+]2)c2ccccc2[nH+]1 ZINC000301989412 336341720 /nfs/dbraw/zinc/34/17/20/336341720.db2.gz LZRAAWYGTYHSRX-UHFFFAOYSA-N 2 2 302.381 4.111 20 0 DIADLP Cc1[nH]c2ccc(C[NH2+]CCCc3ccc(C)[nH+]c3)cc2c1C ZINC000354157958 336461754 /nfs/dbraw/zinc/46/17/54/336461754.db2.gz MATBNJSJUVRYDP-UHFFFAOYSA-N 2 2 307.441 4.211 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000354540406 336474046 /nfs/dbraw/zinc/47/40/46/336474046.db2.gz KGVBHLHTSQXNCA-FPOVZHCZSA-N 2 2 324.468 4.080 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000354540404 336474053 /nfs/dbraw/zinc/47/40/53/336474053.db2.gz KGVBHLHTSQXNCA-CTNGQTDRSA-N 2 2 324.468 4.080 20 0 DIADLP CC(C)(C)[NH+]1CCC(Nc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000354559949 336474734 /nfs/dbraw/zinc/47/47/34/336474734.db2.gz KPBQDAAUPMWZRA-UHFFFAOYSA-N 2 2 301.409 4.049 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000359661232 336682080 /nfs/dbraw/zinc/68/20/80/336682080.db2.gz NCOGXRJIGQMXCL-CYBMUJFWSA-N 2 2 311.351 4.083 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC(C)(C)c3ccccc31)CCC2 ZINC000360645772 336717107 /nfs/dbraw/zinc/71/71/07/336717107.db2.gz FRSDJBUTUCCLJY-APWZRJJASA-N 2 2 323.484 4.471 20 0 DIADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361483504 336758688 /nfs/dbraw/zinc/75/86/88/336758688.db2.gz DXTGIPQINLQBAX-JLTOFOAXSA-N 2 2 321.399 4.035 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1)CCC2 ZINC000361657823 336767403 /nfs/dbraw/zinc/76/74/03/336767403.db2.gz DEOJDPQBWWAEBH-JKSUJKDBSA-N 2 2 315.436 4.176 20 0 DIADLP Cn1c(CCC[NH2+]Cc2coc3ccccc23)[nH+]c2ccccc21 ZINC000121505804 336961697 /nfs/dbraw/zinc/96/16/97/336961697.db2.gz BCRDPJCXUHIGJL-UHFFFAOYSA-N 2 2 319.408 4.042 20 0 DIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199458 336983649 /nfs/dbraw/zinc/98/36/49/336983649.db2.gz IZBFDAYPABWYNA-LBPRGKRZSA-N 2 2 323.362 4.369 20 0 DIADLP Clc1ccc([C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)cc1 ZINC000375266051 337006810 /nfs/dbraw/zinc/00/68/10/337006810.db2.gz CZYXHMOIMVFCCA-GOSISDBHSA-N 2 2 315.848 4.114 20 0 DIADLP CC(C)CC[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccoc1 ZINC000375842603 337021112 /nfs/dbraw/zinc/02/11/12/337021112.db2.gz WEVXOCAYAADFFC-WBVHZDCISA-N 2 2 301.434 4.121 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)CCC2 ZINC000377838480 337062362 /nfs/dbraw/zinc/06/23/62/337062362.db2.gz ZIEKEJBZAYWULY-CYBMUJFWSA-N 2 2 324.255 4.166 20 0 DIADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cc(F)ccc1F ZINC000378185691 337067872 /nfs/dbraw/zinc/06/78/72/337067872.db2.gz UJGFNRVPOXGGRP-GUYCJALGSA-N 2 2 319.399 4.088 20 0 DIADLP c1[nH]c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000178957220 337166653 /nfs/dbraw/zinc/16/66/53/337166653.db2.gz HUVTYOVBNPCROP-RTWAWAEBSA-N 2 2 317.436 4.361 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179418934 337168262 /nfs/dbraw/zinc/16/82/62/337168262.db2.gz LJDZRKWQAYVZQO-INIZCTEOSA-N 2 2 309.413 4.039 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1F ZINC000180092355 337173660 /nfs/dbraw/zinc/17/36/60/337173660.db2.gz NTMYURAJQMAQTN-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1F ZINC000180415156 337174423 /nfs/dbraw/zinc/17/44/23/337174423.db2.gz HAVHGIYOFAGCBY-KRWDZBQOSA-N 2 2 301.409 4.154 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000582970244 337224450 /nfs/dbraw/zinc/22/44/50/337224450.db2.gz MIUHCJVYMQTNJI-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000582970243 337224504 /nfs/dbraw/zinc/22/45/04/337224504.db2.gz MIUHCJVYMQTNJI-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1csc(Cl)c1 ZINC000191205303 337294963 /nfs/dbraw/zinc/29/49/63/337294963.db2.gz JHGSBPIABYWQSA-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273213 337299244 /nfs/dbraw/zinc/29/92/44/337299244.db2.gz JKZIFBOJRXHFFG-OXJNMPFZSA-N 2 2 319.452 4.093 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273213 337299245 /nfs/dbraw/zinc/29/92/45/337299245.db2.gz JKZIFBOJRXHFFG-OXJNMPFZSA-N 2 2 319.452 4.093 20 0 DIADLP C[NH+]1CCC([NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000583722740 337318302 /nfs/dbraw/zinc/31/83/02/337318302.db2.gz KWNJNGQNXXVDLS-INIZCTEOSA-N 2 2 313.272 4.128 20 0 DIADLP COc1ccccc1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000583838952 337340757 /nfs/dbraw/zinc/34/07/57/337340757.db2.gz MVQDEVGIFRRPSA-IBGZPJMESA-N 2 2 310.441 4.168 20 0 DIADLP COc1ccccc1[C@@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000583838952 337340758 /nfs/dbraw/zinc/34/07/58/337340758.db2.gz MVQDEVGIFRRPSA-IBGZPJMESA-N 2 2 310.441 4.168 20 0 DIADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000132146963 337440905 /nfs/dbraw/zinc/44/09/05/337440905.db2.gz KGYNSIMESZRQNC-FQEVSTJZSA-N 2 2 319.452 4.215 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc(C3CC3)c2)c[nH+]1 ZINC000421331372 337526839 /nfs/dbraw/zinc/52/68/39/337526839.db2.gz JOSZUKXUJDLRIP-UHFFFAOYSA-N 2 2 317.436 4.099 20 0 DIADLP CCC(C)(C)[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000571872074 337579383 /nfs/dbraw/zinc/57/93/83/337579383.db2.gz NEJMCPAPTVZPSW-LRVUVFPRSA-N 2 2 320.443 4.206 20 0 DIADLP CCOc1ccccc1[C@H](CC)[NH2+]CCCc1c[nH+]ccc1C ZINC000572165561 337594443 /nfs/dbraw/zinc/59/44/43/337594443.db2.gz IFURQYZXJQQQNK-IBGZPJMESA-N 2 2 312.457 4.462 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](CNc1[nH+]ccc3ccc(C)cc31)CCC2 ZINC000572279860 337603243 /nfs/dbraw/zinc/60/32/43/337603243.db2.gz WXDZABQOXHAGGG-INIZCTEOSA-N 2 2 306.413 4.038 20 0 DIADLP c1cn(CCCC[NH2+]C(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000321000095 337607538 /nfs/dbraw/zinc/60/75/38/337607538.db2.gz KJXUOBBBEPZCKC-UHFFFAOYSA-N 2 2 305.425 4.043 20 0 DIADLP Clc1ccc([C@H]2CC[C@@H]([NH2+]CCCCn3cc[nH+]c3)C2)cc1 ZINC000572332682 337609830 /nfs/dbraw/zinc/60/98/30/337609830.db2.gz JNLBTMGIJADEOU-FUHWJXTLSA-N 2 2 317.864 4.243 20 0 DIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000421819171 337648775 /nfs/dbraw/zinc/64/87/75/337648775.db2.gz FOTKNXYYIFZYOA-AWEZNQCLSA-N 2 2 324.896 4.120 20 0 DIADLP C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422935211 337692291 /nfs/dbraw/zinc/69/22/91/337692291.db2.gz DJBVQKOROLLLRP-VMGRFDJRSA-N 2 2 320.889 4.221 20 0 DIADLP Cc1cc([C@H]([NH2+][C@H](C)C[NH3+])c2cccc(Cl)c2)c(C)s1 ZINC000423336985 337712664 /nfs/dbraw/zinc/71/26/64/337712664.db2.gz VAGANWFSPHNADP-QLJPJBMISA-N 2 2 308.878 4.045 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1cccc(C)c1)C(C)C)CCC2 ZINC000527862234 337765997 /nfs/dbraw/zinc/76/59/97/337765997.db2.gz HXHRRBMRGYOZGS-RTBURBONSA-N 2 2 311.473 4.364 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000527863325 337766006 /nfs/dbraw/zinc/76/60/06/337766006.db2.gz JGNUTHSUBQKPFO-RTBURBONSA-N 2 2 311.473 4.070 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527874961 337771095 /nfs/dbraw/zinc/77/10/95/337771095.db2.gz ILRRCNSLZACTDM-QGZVFWFLSA-N 2 2 304.796 4.002 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)[C@H]3CC34CC4)ccc2n1C1CC1 ZINC000527895647 337772218 /nfs/dbraw/zinc/77/22/18/337772218.db2.gz CFAIFYHNTFBJRF-CZUORRHYSA-N 2 2 309.457 4.212 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000120494638 337875722 /nfs/dbraw/zinc/87/57/22/337875722.db2.gz UTLLGMDWQLMRRV-SFHVURJKSA-N 2 2 319.452 4.083 20 0 DIADLP CC(C)(C)c1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000428466908 338053805 /nfs/dbraw/zinc/05/38/05/338053805.db2.gz WQOQKALHUNFIQG-QGZVFWFLSA-N 2 2 311.473 4.129 20 0 DIADLP CC(C)(C)c1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000428466908 338053806 /nfs/dbraw/zinc/05/38/06/338053806.db2.gz WQOQKALHUNFIQG-QGZVFWFLSA-N 2 2 311.473 4.129 20 0 DIADLP Clc1ccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000428746113 338060295 /nfs/dbraw/zinc/06/02/95/338060295.db2.gz RXXHLDVZDOPDOC-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP COC1(C[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000429527785 338083105 /nfs/dbraw/zinc/08/31/05/338083105.db2.gz NJVFURQTYYABHX-IAGOWNOFSA-N 2 2 318.505 4.053 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429537640 338083178 /nfs/dbraw/zinc/08/31/78/338083178.db2.gz QTJURSWHZKAJJF-JSGCOSHPSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429537640 338083179 /nfs/dbraw/zinc/08/31/79/338083179.db2.gz QTJURSWHZKAJJF-JSGCOSHPSA-N 2 2 315.288 4.471 20 0 DIADLP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)c1ccccc1 ZINC000430097031 338096308 /nfs/dbraw/zinc/09/63/08/338096308.db2.gz GHPJUPJUDWPURL-OAHLLOKOSA-N 2 2 317.502 4.176 20 0 DIADLP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)c1ccccc1 ZINC000430097031 338096309 /nfs/dbraw/zinc/09/63/09/338096309.db2.gz GHPJUPJUDWPURL-OAHLLOKOSA-N 2 2 317.502 4.176 20 0 DIADLP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1ccccc1 ZINC000430097029 338096328 /nfs/dbraw/zinc/09/63/28/338096328.db2.gz GHPJUPJUDWPURL-HNNXBMFYSA-N 2 2 317.502 4.176 20 0 DIADLP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1ccccc1 ZINC000430097029 338096329 /nfs/dbraw/zinc/09/63/29/338096329.db2.gz GHPJUPJUDWPURL-HNNXBMFYSA-N 2 2 317.502 4.176 20 0 DIADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000430699442 338111602 /nfs/dbraw/zinc/11/16/02/338111602.db2.gz PTSHUJJPBWMYEZ-AHRSYUTCSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@@H](CCSc1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000431595504 338134244 /nfs/dbraw/zinc/13/42/44/338134244.db2.gz JTTHSWDMPHOKOM-HNNXBMFYSA-N 2 2 315.486 4.160 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432247932 338150643 /nfs/dbraw/zinc/15/06/43/338150643.db2.gz WCDBXNRONSNTFW-UHFFFAOYSA-N 2 2 307.290 4.017 20 0 DIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432249375 338150751 /nfs/dbraw/zinc/15/07/51/338150751.db2.gz FEBUNJFFGUVYHV-NSHDSACASA-N 2 2 321.317 4.265 20 0 DIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432249375 338150752 /nfs/dbraw/zinc/15/07/52/338150752.db2.gz FEBUNJFFGUVYHV-NSHDSACASA-N 2 2 321.317 4.265 20 0 DIADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432248930 338150785 /nfs/dbraw/zinc/15/07/85/338150785.db2.gz ANXJZLCBQCPSMB-WDEREUQCSA-N 2 2 307.290 4.017 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432740373 338165359 /nfs/dbraw/zinc/16/53/59/338165359.db2.gz ANEPUOVGSFJMKR-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432740373 338165360 /nfs/dbraw/zinc/16/53/60/338165360.db2.gz ANEPUOVGSFJMKR-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000432785299 338167581 /nfs/dbraw/zinc/16/75/81/338167581.db2.gz KSVXCTQBNQAQTP-ZDUSSCGKSA-N 2 2 306.837 4.002 20 0 DIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000432785299 338167582 /nfs/dbraw/zinc/16/75/82/338167582.db2.gz KSVXCTQBNQAQTP-ZDUSSCGKSA-N 2 2 306.837 4.002 20 0 DIADLP CCC[C@@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000433148892 338183112 /nfs/dbraw/zinc/18/31/12/338183112.db2.gz CBUAFTJWWHZEQH-RTBURBONSA-N 2 2 311.473 4.032 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418546 338204582 /nfs/dbraw/zinc/20/45/82/338204582.db2.gz NXBOLTLTGKMYAV-VHSXEESVSA-N 2 2 319.301 4.190 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418546 338204581 /nfs/dbraw/zinc/20/45/81/338204581.db2.gz NXBOLTLTGKMYAV-VHSXEESVSA-N 2 2 319.301 4.190 20 0 DIADLP c1ccc([C@H]2CC[C@H]([NH2+]CCCc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000436276351 338265198 /nfs/dbraw/zinc/26/51/98/338265198.db2.gz SLFCBRDWIOFJLE-ROUUACIJSA-N 2 2 319.452 4.421 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000437027394 338298301 /nfs/dbraw/zinc/29/83/01/338298301.db2.gz SKNNWAFPLJJCQQ-QINHECLXSA-N 2 2 314.448 4.038 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000438087906 338330606 /nfs/dbraw/zinc/33/06/06/338330606.db2.gz ZPWODZJODZSUQJ-HUUCEWRRSA-N 2 2 323.362 4.083 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(c2ccccc2)CC1 ZINC000438281706 338338508 /nfs/dbraw/zinc/33/85/08/338338508.db2.gz TVMVERMXCKYUFS-UHFFFAOYSA-N 2 2 317.436 4.036 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(c2ccccc2)CC1 ZINC000438281706 338338509 /nfs/dbraw/zinc/33/85/09/338338509.db2.gz TVMVERMXCKYUFS-UHFFFAOYSA-N 2 2 317.436 4.036 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000439558856 338373080 /nfs/dbraw/zinc/37/30/80/338373080.db2.gz YIYZULNMEJJNRN-KRWDZBQOSA-N 2 2 318.530 4.007 20 0 DIADLP Cc1ccccc1CCC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058476 338382988 /nfs/dbraw/zinc/38/29/88/338382988.db2.gz YPKHGWLTOYMHLQ-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058476 338382989 /nfs/dbraw/zinc/38/29/89/338382989.db2.gz YPKHGWLTOYMHLQ-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058476 338382990 /nfs/dbraw/zinc/38/29/90/338382990.db2.gz YPKHGWLTOYMHLQ-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058476 338382991 /nfs/dbraw/zinc/38/29/91/338382991.db2.gz YPKHGWLTOYMHLQ-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)c(C)o1 ZINC000447517631 338553611 /nfs/dbraw/zinc/55/36/11/338553611.db2.gz LRNUKXRRSYZVNH-CQSZACIVSA-N 2 2 311.429 4.295 20 0 DIADLP Cc1cc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000449062072 338589604 /nfs/dbraw/zinc/58/96/04/338589604.db2.gz HYESEPSELDROOV-OAHLLOKOSA-N 2 2 306.500 4.045 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)Cc3ccoc3)ccc2n1C1CC1 ZINC000449316591 338611939 /nfs/dbraw/zinc/61/19/39/338611939.db2.gz ZLNZLDREUCFKNP-CQSZACIVSA-N 2 2 323.440 4.247 20 0 DIADLP CC[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1ccncc1 ZINC000453054296 338788059 /nfs/dbraw/zinc/78/80/59/338788059.db2.gz HICQKTXQIYFKRC-SJORKVTESA-N 2 2 315.486 4.021 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC1 ZINC000453173257 338802591 /nfs/dbraw/zinc/80/25/91/338802591.db2.gz OCLVPYGFGXLXLX-JXFKEZNVSA-N 2 2 315.505 4.165 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459320544 339021542 /nfs/dbraw/zinc/02/15/42/339021542.db2.gz DZKOBOPQTNGZAW-SFHVURJKSA-N 2 2 319.452 4.226 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459320544 339021543 /nfs/dbraw/zinc/02/15/43/339021543.db2.gz DZKOBOPQTNGZAW-SFHVURJKSA-N 2 2 319.452 4.226 20 0 DIADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459359444 339024295 /nfs/dbraw/zinc/02/42/95/339024295.db2.gz QPCUVZPTKHKAHV-KRWDZBQOSA-N 2 2 319.452 4.323 20 0 DIADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459359444 339024296 /nfs/dbraw/zinc/02/42/96/339024296.db2.gz QPCUVZPTKHKAHV-KRWDZBQOSA-N 2 2 319.452 4.323 20 0 DIADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Cl)c1 ZINC000459397710 339027115 /nfs/dbraw/zinc/02/71/15/339027115.db2.gz XHMLKOLHPOLYJA-UHFFFAOYSA-N 2 2 312.860 4.140 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459743339 339045650 /nfs/dbraw/zinc/04/56/50/339045650.db2.gz DCRPNUZSKLKBEM-LJHODMEESA-N 2 2 318.892 4.083 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459749469 339045966 /nfs/dbraw/zinc/04/59/66/339045966.db2.gz PDJJRPKZLQBERB-LJQANCHMSA-N 2 2 309.457 4.199 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459749469 339045967 /nfs/dbraw/zinc/04/59/67/339045967.db2.gz PDJJRPKZLQBERB-LJQANCHMSA-N 2 2 309.457 4.199 20 0 DIADLP C[C@H](CNc1cc[nH+]c2ccsc21)[N@@H+]1CCc2ccccc2C1 ZINC000462370742 339077089 /nfs/dbraw/zinc/07/70/89/339077089.db2.gz RFACLSVFSOSCKR-CQSZACIVSA-N 2 2 323.465 4.155 20 0 DIADLP C[C@H](CNc1cc[nH+]c2ccsc21)[N@H+]1CCc2ccccc2C1 ZINC000462370742 339077090 /nfs/dbraw/zinc/07/70/90/339077090.db2.gz RFACLSVFSOSCKR-CQSZACIVSA-N 2 2 323.465 4.155 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000462681918 339084021 /nfs/dbraw/zinc/08/40/21/339084021.db2.gz WLQSGLRJCMSCCV-OXQOHEQNSA-N 2 2 318.480 4.349 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CCC[C@H]3Cc3ccccc3)c[nH+]c12 ZINC000462750316 339086795 /nfs/dbraw/zinc/08/67/95/339086795.db2.gz YLBNHDYDXXUWFO-ICSRJNTNSA-N 2 2 319.452 4.144 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462885287 339096133 /nfs/dbraw/zinc/09/61/33/339096133.db2.gz SJUPCLWWXVWWMV-HOTGVXAUSA-N 2 2 324.472 4.099 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029006 339101734 /nfs/dbraw/zinc/10/17/34/339101734.db2.gz PRZAONFGPKQTJR-ZOBUZTSGSA-N 2 2 316.489 4.140 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463029006 339101735 /nfs/dbraw/zinc/10/17/35/339101735.db2.gz PRZAONFGPKQTJR-ZOBUZTSGSA-N 2 2 316.489 4.140 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000463132079 339106781 /nfs/dbraw/zinc/10/67/81/339106781.db2.gz QYSZBBDDCLJEIO-HNNXBMFYSA-N 2 2 320.908 4.473 20 0 DIADLP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463131937 339106820 /nfs/dbraw/zinc/10/68/20/339106820.db2.gz QLUREIKCKJVQDU-HNNXBMFYSA-N 2 2 308.897 4.186 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000463150650 339107321 /nfs/dbraw/zinc/10/73/21/339107321.db2.gz XDKZCFFCNZPGGU-GOSISDBHSA-N 2 2 311.473 4.247 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000463150650 339107322 /nfs/dbraw/zinc/10/73/22/339107322.db2.gz XDKZCFFCNZPGGU-GOSISDBHSA-N 2 2 311.473 4.247 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000463201634 339108997 /nfs/dbraw/zinc/10/89/97/339108997.db2.gz MGOQJULSZBLUTC-IEBWSBKVSA-N 2 2 311.473 4.389 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000463201634 339108998 /nfs/dbraw/zinc/10/89/98/339108998.db2.gz MGOQJULSZBLUTC-IEBWSBKVSA-N 2 2 311.473 4.389 20 0 DIADLP CC(C)C1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000463203978 339109151 /nfs/dbraw/zinc/10/91/51/339109151.db2.gz HDLPLZQJMNLWEW-UHFFFAOYSA-N 2 2 320.908 4.330 20 0 DIADLP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000464084931 339133832 /nfs/dbraw/zinc/13/38/32/339133832.db2.gz LHCGRVCHNLPHRF-MOPGFXCFSA-N 2 2 323.484 4.446 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000467540749 339241372 /nfs/dbraw/zinc/24/13/72/339241372.db2.gz CKXZZHCHSQXVEM-HNNXBMFYSA-N 2 2 300.471 4.395 20 0 DIADLP CCCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000467834384 339247334 /nfs/dbraw/zinc/24/73/34/339247334.db2.gz RXFCSBKHORAFRA-LJQANCHMSA-N 2 2 311.473 4.283 20 0 DIADLP CCCCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000468393118 339261519 /nfs/dbraw/zinc/26/15/19/339261519.db2.gz RUPHDEMKOOSRAB-MJGOQNOKSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000468393118 339261520 /nfs/dbraw/zinc/26/15/20/339261520.db2.gz RUPHDEMKOOSRAB-MJGOQNOKSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000468393118 339261521 /nfs/dbraw/zinc/26/15/21/339261521.db2.gz RUPHDEMKOOSRAB-MJGOQNOKSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000468393118 339261522 /nfs/dbraw/zinc/26/15/22/339261522.db2.gz RUPHDEMKOOSRAB-MJGOQNOKSA-N 2 2 318.505 4.170 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469741836 339297449 /nfs/dbraw/zinc/29/74/49/339297449.db2.gz MMBDRXCVFJQYKW-WFASDCNBSA-N 2 2 320.795 4.088 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469741836 339297450 /nfs/dbraw/zinc/29/74/50/339297450.db2.gz MMBDRXCVFJQYKW-WFASDCNBSA-N 2 2 320.795 4.088 20 0 DIADLP COc1cccc([C@@H](C[NH2+][C@H](C)CCC2CC2)[NH+]2CCCC2)c1 ZINC000469805134 339301215 /nfs/dbraw/zinc/30/12/15/339301215.db2.gz XMJAKODFNQXUNB-OXQOHEQNSA-N 2 2 316.489 4.000 20 0 DIADLP COc1cccc([C@H](C[NH2+][C@@H](C)CCC2CC2)[NH+]2CCCC2)c1 ZINC000469805132 339301302 /nfs/dbraw/zinc/30/13/02/339301302.db2.gz XMJAKODFNQXUNB-JXFKEZNVSA-N 2 2 316.489 4.000 20 0 DIADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000469983368 339306703 /nfs/dbraw/zinc/30/67/03/339306703.db2.gz HHDVSYDMHIMPHZ-FXAWDEMLSA-N 2 2 311.473 4.132 20 0 DIADLP CC(C)c1ccc(CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000469983368 339306704 /nfs/dbraw/zinc/30/67/04/339306704.db2.gz HHDVSYDMHIMPHZ-FXAWDEMLSA-N 2 2 311.473 4.132 20 0 DIADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469983370 339306768 /nfs/dbraw/zinc/30/67/68/339306768.db2.gz HHDVSYDMHIMPHZ-PXNSSMCTSA-N 2 2 311.473 4.132 20 0 DIADLP CC(C)c1ccc(CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469983370 339306769 /nfs/dbraw/zinc/30/67/69/339306769.db2.gz HHDVSYDMHIMPHZ-PXNSSMCTSA-N 2 2 311.473 4.132 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470971548 339333459 /nfs/dbraw/zinc/33/34/59/339333459.db2.gz ZEXIVTFLUSDFLU-UKRRQHHQSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470971548 339333460 /nfs/dbraw/zinc/33/34/60/339333460.db2.gz ZEXIVTFLUSDFLU-UKRRQHHQSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470971548 339333461 /nfs/dbraw/zinc/33/34/61/339333461.db2.gz ZEXIVTFLUSDFLU-UKRRQHHQSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470971548 339333462 /nfs/dbraw/zinc/33/34/62/339333462.db2.gz ZEXIVTFLUSDFLU-UKRRQHHQSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471576635 339347726 /nfs/dbraw/zinc/34/77/26/339347726.db2.gz DHTZHPPCVWWSCB-GQIGUUNPSA-N 2 2 314.448 4.038 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H](c1ccccc1)[NH+](C)C ZINC000471576254 339347792 /nfs/dbraw/zinc/34/77/92/339347792.db2.gz AMLIHOBFQAGEHS-VHKYSDTDSA-N 2 2 312.432 4.094 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3cc4cccc(F)c4o3)n2c1 ZINC000473981832 339395989 /nfs/dbraw/zinc/39/59/89/339395989.db2.gz GNHJRMFVEXEKLR-ZDUSSCGKSA-N 2 2 323.371 4.379 20 0 DIADLP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474042095 339398588 /nfs/dbraw/zinc/39/85/88/339398588.db2.gz WUJWNXYLXNEGLL-MPGHIAIKSA-N 2 2 324.459 4.481 20 0 DIADLP CC(C)C[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000474266072 339407638 /nfs/dbraw/zinc/40/76/38/339407638.db2.gz LSHLXZYSOICNLR-LJQANCHMSA-N 2 2 311.473 4.419 20 0 DIADLP CC[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)Oc1ccccc1C ZINC000474794929 339426253 /nfs/dbraw/zinc/42/62/53/339426253.db2.gz MDRSBEWPZJGNKZ-IBGZPJMESA-N 2 2 312.457 4.078 20 0 DIADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000474800006 339426717 /nfs/dbraw/zinc/42/67/17/339426717.db2.gz RAOGMCWWKZVODS-JKSUJKDBSA-N 2 2 314.395 4.281 20 0 DIADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000474808694 339427377 /nfs/dbraw/zinc/42/73/77/339427377.db2.gz MPARVKJQSAQYOB-SFTDATJTSA-N 2 2 324.468 4.141 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](c4cccc(F)c4)C3)c[nH+]c12 ZINC000475570444 339455914 /nfs/dbraw/zinc/45/59/14/339455914.db2.gz JDWDENLBGFAHQC-FUHWJXTLSA-N 2 2 323.415 4.208 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000479434419 339534929 /nfs/dbraw/zinc/53/49/29/339534929.db2.gz CVTRKUMIOFEJMD-IRXDYDNUSA-N 2 2 311.473 4.088 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000480068956 339557526 /nfs/dbraw/zinc/55/75/26/339557526.db2.gz PKONTWVIXDMEAF-CQSZACIVSA-N 2 2 313.470 4.456 20 0 DIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)c1cc2c(s1)CCC2 ZINC000480084730 339558339 /nfs/dbraw/zinc/55/83/39/339558339.db2.gz LEMHXURTZOHCMD-RHSMWYFYSA-N 2 2 314.498 4.190 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000481962112 339618088 /nfs/dbraw/zinc/61/80/88/339618088.db2.gz PQKZCKSXAYLYEN-SFHVURJKSA-N 2 2 310.432 4.270 20 0 DIADLP Cc1ccc(C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000482247402 339627509 /nfs/dbraw/zinc/62/75/09/339627509.db2.gz MBOQXHUYXONKAY-FQEVSTJZSA-N 2 2 323.484 4.193 20 0 DIADLP CCC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CCCCC1 ZINC000483446002 339666188 /nfs/dbraw/zinc/66/61/88/339666188.db2.gz HGVBXTGYCZFIOZ-ROUUACIJSA-N 2 2 303.494 4.408 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Cl)c1 ZINC000486679460 339731143 /nfs/dbraw/zinc/73/11/43/339731143.db2.gz JECPFGCMTYWRML-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H](C)C2 ZINC000491057152 339847373 /nfs/dbraw/zinc/84/73/73/339847373.db2.gz WAICJNMDVVUDOW-OXQOHEQNSA-N 2 2 309.457 4.105 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H](C)C2 ZINC000491057150 339847406 /nfs/dbraw/zinc/84/74/06/339847406.db2.gz WAICJNMDVVUDOW-OXJNMPFZSA-N 2 2 309.457 4.105 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000495046822 339971292 /nfs/dbraw/zinc/97/12/92/339971292.db2.gz KJRBHGCOWGTVID-IBGZPJMESA-N 2 2 314.498 4.339 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000500032408 340049051 /nfs/dbraw/zinc/04/90/51/340049051.db2.gz AOXUYWRCYBJARC-HQRMLTQVSA-N 2 2 316.489 4.000 20 0 DIADLP CCC1CCC([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000500043770 340049075 /nfs/dbraw/zinc/04/90/75/340049075.db2.gz WRUDAGYTVPYTQR-OFLPRAFFSA-N 2 2 306.519 4.443 20 0 DIADLP CC[C@@H]1C[C@@]1([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1cccc(C)c1 ZINC000500496959 340060630 /nfs/dbraw/zinc/06/06/30/340060630.db2.gz JLGOWCGSIJEADY-UTKZUKDTSA-N 2 2 319.452 4.366 20 0 DIADLP CC[C@H]1C[C@@]1([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1cccc(C)c1 ZINC000500496961 340060643 /nfs/dbraw/zinc/06/06/43/340060643.db2.gz JLGOWCGSIJEADY-UWJYYQICSA-N 2 2 319.452 4.366 20 0 DIADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318919 340099505 /nfs/dbraw/zinc/09/95/05/340099505.db2.gz QJDJBGJWFYKRNV-PKOBYXMFSA-N 2 2 323.484 4.203 20 0 DIADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318919 340099506 /nfs/dbraw/zinc/09/95/06/340099506.db2.gz QJDJBGJWFYKRNV-PKOBYXMFSA-N 2 2 323.484 4.203 20 0 DIADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321081 340099653 /nfs/dbraw/zinc/09/96/53/340099653.db2.gz WNWQGFJLFXAXQE-SFHVURJKSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321081 340099654 /nfs/dbraw/zinc/09/96/54/340099654.db2.gz WNWQGFJLFXAXQE-SFHVURJKSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502328357 340099967 /nfs/dbraw/zinc/09/99/67/340099967.db2.gz VRSVTVFGRYKVSD-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502328357 340099968 /nfs/dbraw/zinc/09/99/68/340099968.db2.gz VRSVTVFGRYKVSD-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000502696129 340110852 /nfs/dbraw/zinc/11/08/52/340110852.db2.gz CYOKRAGCAVYFOX-INIZCTEOSA-N 2 2 312.457 4.212 20 0 DIADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381014 340126900 /nfs/dbraw/zinc/12/69/00/340126900.db2.gz YVFPMZRLCHLXIM-IEBWSBKVSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381014 340126901 /nfs/dbraw/zinc/12/69/01/340126901.db2.gz YVFPMZRLCHLXIM-IEBWSBKVSA-N 2 2 323.484 4.468 20 0 DIADLP CCc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408886 340127575 /nfs/dbraw/zinc/12/75/75/340127575.db2.gz SAMVQXDQIJVNKQ-LJQANCHMSA-N 2 2 323.484 4.161 20 0 DIADLP CCc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408886 340127576 /nfs/dbraw/zinc/12/75/76/340127576.db2.gz SAMVQXDQIJVNKQ-LJQANCHMSA-N 2 2 323.484 4.161 20 0 DIADLP CC(C)(C)CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413164 340127631 /nfs/dbraw/zinc/12/76/31/340127631.db2.gz XIOKYLHBZULFIV-MRXNPFEDSA-N 2 2 303.494 4.225 20 0 DIADLP CC(C)(C)CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413164 340127632 /nfs/dbraw/zinc/12/76/32/340127632.db2.gz XIOKYLHBZULFIV-MRXNPFEDSA-N 2 2 303.494 4.225 20 0 DIADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435539 340128215 /nfs/dbraw/zinc/12/82/15/340128215.db2.gz MTLOIOCGQCUUNS-QZTJIDSGSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435539 340128216 /nfs/dbraw/zinc/12/82/16/340128216.db2.gz MTLOIOCGQCUUNS-QZTJIDSGSA-N 2 2 323.484 4.468 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000503561926 340130711 /nfs/dbraw/zinc/13/07/11/340130711.db2.gz HAUDTIAHSATMRN-UXHICEINSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000503561926 340130712 /nfs/dbraw/zinc/13/07/12/340130712.db2.gz HAUDTIAHSATMRN-UXHICEINSA-N 2 2 324.443 4.209 20 0 DIADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000504917418 340156060 /nfs/dbraw/zinc/15/60/60/340156060.db2.gz BOAHRJATMZNYOS-SJLPKXTDSA-N 2 2 309.457 4.420 20 0 DIADLP CC[NH+](CC)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000505296526 340165782 /nfs/dbraw/zinc/16/57/82/340165782.db2.gz WCQGTHGRFKHUFU-UHFFFAOYSA-N 2 2 323.440 4.064 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(C)o1)C1CCC1)CCC2 ZINC000516604336 340218539 /nfs/dbraw/zinc/21/85/39/340218539.db2.gz RTJFIPHQTBPLAX-WMZOPIPTSA-N 2 2 313.445 4.101 20 0 DIADLP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507465533 340220890 /nfs/dbraw/zinc/22/08/90/340220890.db2.gz BELPEVSSKRQONJ-LSDHHAIUSA-N 2 2 320.443 4.209 20 0 DIADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507463623 340220900 /nfs/dbraw/zinc/22/09/00/340220900.db2.gz UNQASALMIXLGDO-HOCLYGCPSA-N 2 2 320.443 4.352 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000300412919 340225371 /nfs/dbraw/zinc/22/53/71/340225371.db2.gz WWTHXUCPAYDUIY-KXUCPTDWSA-N 2 2 307.290 4.188 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000300412919 340225372 /nfs/dbraw/zinc/22/53/72/340225372.db2.gz WWTHXUCPAYDUIY-KXUCPTDWSA-N 2 2 307.290 4.188 20 0 DIADLP C(=C/[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877721 340234886 /nfs/dbraw/zinc/23/48/86/340234886.db2.gz SUIRRNRDBORNJJ-DXRVJIQQSA-N 2 2 303.409 4.012 20 0 DIADLP C(=C/[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877721 340234887 /nfs/dbraw/zinc/23/48/87/340234887.db2.gz SUIRRNRDBORNJJ-DXRVJIQQSA-N 2 2 303.409 4.012 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000508666427 340250077 /nfs/dbraw/zinc/25/00/77/340250077.db2.gz ZHBZKFNKTBWERI-DNVCBOLYSA-N 2 2 320.908 4.473 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396286 340297779 /nfs/dbraw/zinc/29/77/79/340297779.db2.gz SVCJSVDYTKTCJH-GBMAXXPESA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396286 340297780 /nfs/dbraw/zinc/29/77/80/340297780.db2.gz SVCJSVDYTKTCJH-GBMAXXPESA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396286 340297781 /nfs/dbraw/zinc/29/77/81/340297781.db2.gz SVCJSVDYTKTCJH-GBMAXXPESA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396286 340297782 /nfs/dbraw/zinc/29/77/82/340297782.db2.gz SVCJSVDYTKTCJH-GBMAXXPESA-N 2 2 312.501 4.127 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2Cl)CC1 ZINC000510449645 340299885 /nfs/dbraw/zinc/29/98/85/340299885.db2.gz MAFLSGZVMOKHDE-UHFFFAOYSA-N 2 2 315.288 4.300 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2Cl)CC1 ZINC000510449645 340299886 /nfs/dbraw/zinc/29/98/86/340299886.db2.gz MAFLSGZVMOKHDE-UHFFFAOYSA-N 2 2 315.288 4.300 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)[NH+](C)C)cc1 ZINC000510756915 340310031 /nfs/dbraw/zinc/31/00/31/340310031.db2.gz SUNNPHQRZOMELW-NEWSRXKRSA-N 2 2 306.469 4.106 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194456 340351798 /nfs/dbraw/zinc/35/17/98/340351798.db2.gz LAKGLADFDFJXGT-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194456 340351799 /nfs/dbraw/zinc/35/17/99/340351799.db2.gz LAKGLADFDFJXGT-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000512194456 340351800 /nfs/dbraw/zinc/35/18/00/340351800.db2.gz LAKGLADFDFJXGT-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000512194456 340351801 /nfs/dbraw/zinc/35/18/01/340351801.db2.gz LAKGLADFDFJXGT-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000304170937 340361284 /nfs/dbraw/zinc/36/12/84/340361284.db2.gz HEERRIVARFMLQO-ZWKOTPCHSA-N 2 2 322.443 4.066 20 0 DIADLP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000304170937 340361285 /nfs/dbraw/zinc/36/12/85/340361285.db2.gz HEERRIVARFMLQO-ZWKOTPCHSA-N 2 2 322.443 4.066 20 0 DIADLP CC[C@H](C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088132 340392749 /nfs/dbraw/zinc/39/27/49/340392749.db2.gz FDEWRRSCJDOCDB-UYAOXDASSA-N 2 2 300.490 4.131 20 0 DIADLP CC[C@H](C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088132 340392750 /nfs/dbraw/zinc/39/27/50/340392750.db2.gz FDEWRRSCJDOCDB-UYAOXDASSA-N 2 2 300.490 4.131 20 0 DIADLP CC[C@@H](C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088128 340392797 /nfs/dbraw/zinc/39/27/97/340392797.db2.gz FDEWRRSCJDOCDB-ICSRJNTNSA-N 2 2 300.490 4.131 20 0 DIADLP CC[C@@H](C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088128 340392798 /nfs/dbraw/zinc/39/27/98/340392798.db2.gz FDEWRRSCJDOCDB-ICSRJNTNSA-N 2 2 300.490 4.131 20 0 DIADLP CCC1CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000513104030 340393366 /nfs/dbraw/zinc/39/33/66/340393366.db2.gz BPGWEHUNUBASIG-UHFFFAOYSA-N 2 2 318.480 4.349 20 0 DIADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000564148395 340481643 /nfs/dbraw/zinc/48/16/43/340481643.db2.gz PASFJXRIBPINLR-SJORKVTESA-N 2 2 303.494 4.173 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cs1 ZINC000186505167 340513723 /nfs/dbraw/zinc/51/37/23/340513723.db2.gz ULZXATXFJDRHJW-AWEZNQCLSA-N 2 2 309.523 4.039 20 0 DIADLP c1ccc(CC2CC[NH+](CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000521883262 340537897 /nfs/dbraw/zinc/53/78/97/340537897.db2.gz PBQRBNDMZGJGAX-UHFFFAOYSA-N 2 2 323.484 4.228 20 0 DIADLP CC(C)(C)C1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000236818435 340665387 /nfs/dbraw/zinc/66/53/87/340665387.db2.gz HLRUXOFBFYUNMO-UHFFFAOYSA-N 2 2 315.505 4.245 20 0 DIADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C)cc1 ZINC000236919093 340666442 /nfs/dbraw/zinc/66/64/42/340666442.db2.gz YAHPKDPXINTPKF-IBGZPJMESA-N 2 2 309.457 4.100 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000326441613 340714745 /nfs/dbraw/zinc/71/47/45/340714745.db2.gz ZNDAKRZJAJIIQY-FQEVSTJZSA-N 2 2 321.468 4.341 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530218543 340782930 /nfs/dbraw/zinc/78/29/30/340782930.db2.gz WUUIOMJLPOZDLF-CXAGYDPISA-N 2 2 322.880 4.062 20 0 DIADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2c(s1)CCCC2 ZINC000538985962 340864490 /nfs/dbraw/zinc/86/44/90/340864490.db2.gz OEQIPYQEYTYSFK-CJNGLKHVSA-N 2 2 323.550 4.039 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000539500066 340888002 /nfs/dbraw/zinc/88/80/02/340888002.db2.gz PKJBEVXLOUULEZ-HUUCEWRRSA-N 2 2 311.429 4.239 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000540908299 340951085 /nfs/dbraw/zinc/95/10/85/340951085.db2.gz FTXZCTQKGNORFW-NRFANRHFSA-N 2 2 319.452 4.351 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000129426208 340959950 /nfs/dbraw/zinc/95/99/50/340959950.db2.gz ZXWNQSJLJJKLQF-INIZCTEOSA-N 2 2 312.432 4.141 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000542243651 341001655 /nfs/dbraw/zinc/00/16/55/341001655.db2.gz UTRAWINFGHZMNR-HZPDHXFCSA-N 2 2 323.550 4.257 20 0 DIADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663041 341015958 /nfs/dbraw/zinc/01/59/58/341015958.db2.gz PFBZUDPRQRUMAT-WMQCIHAUSA-N 2 2 323.484 4.175 20 0 DIADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663041 341015959 /nfs/dbraw/zinc/01/59/59/341015959.db2.gz PFBZUDPRQRUMAT-WMQCIHAUSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000070982410 341020892 /nfs/dbraw/zinc/02/08/92/341020892.db2.gz BGIOFHADFPYSKU-OXJNMPFZSA-N 2 2 324.468 4.157 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000542840730 341022923 /nfs/dbraw/zinc/02/29/23/341022923.db2.gz NTWLPOIKJPTITE-CQSZACIVSA-N 2 2 322.443 4.413 20 0 DIADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130584808 341029547 /nfs/dbraw/zinc/02/95/47/341029547.db2.gz YEHKAYBKTMVSFD-HNNXBMFYSA-N 2 2 319.408 4.282 20 0 DIADLP Clc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543061703 341029829 /nfs/dbraw/zinc/02/98/29/341029829.db2.gz NSNBLVNEZKDDAK-UHFFFAOYSA-N 2 2 317.864 4.229 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCC(F)(F)F)c1ccccc1 ZINC000543394663 341041817 /nfs/dbraw/zinc/04/18/17/341041817.db2.gz XJIPBPPCEOMEQL-GDBMZVCRSA-N 2 2 316.411 4.390 20 0 DIADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394654 341041841 /nfs/dbraw/zinc/04/18/41/341041841.db2.gz XEJRMIRFRZJZMJ-CPUCHLNUSA-N 2 2 301.459 4.087 20 0 DIADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394654 341041842 /nfs/dbraw/zinc/04/18/42/341041842.db2.gz XEJRMIRFRZJZMJ-CPUCHLNUSA-N 2 2 301.459 4.087 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2)s1 ZINC000543605655 341051046 /nfs/dbraw/zinc/05/10/46/341051046.db2.gz SPQMBEURIWVABK-HNNXBMFYSA-N 2 2 311.454 4.353 20 0 DIADLP Clc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543988395 341065252 /nfs/dbraw/zinc/06/52/52/341065252.db2.gz NHQCSKWKPRGKGT-UHFFFAOYSA-N 2 2 317.864 4.229 20 0 DIADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000131225529 341066778 /nfs/dbraw/zinc/06/67/78/341066778.db2.gz IXKXHJQXENUVIQ-CQSZACIVSA-N 2 2 324.896 4.120 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3ccc4c(c3)CCCC4)n2c1 ZINC000544842053 341095916 /nfs/dbraw/zinc/09/59/16/341095916.db2.gz ZHSYIIVXZNVTRE-MRXNPFEDSA-N 2 2 319.452 4.372 20 0 DIADLP Cc1ccccc1C[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000545242419 341116852 /nfs/dbraw/zinc/11/68/52/341116852.db2.gz JYZRPNIROQDGKZ-KRWDZBQOSA-N 2 2 321.468 4.035 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132247008 341119235 /nfs/dbraw/zinc/11/92/35/341119235.db2.gz NZBDHJITKZVECU-SFHVURJKSA-N 2 2 319.452 4.133 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132281337 341119974 /nfs/dbraw/zinc/11/99/74/341119974.db2.gz RLKFIMYQRRFKDD-SFHVURJKSA-N 2 2 319.452 4.133 20 0 DIADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000545866066 341143509 /nfs/dbraw/zinc/14/35/09/341143509.db2.gz UBNMGLXORJMTSJ-GOSISDBHSA-N 2 2 321.468 4.051 20 0 DIADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000545866066 341143510 /nfs/dbraw/zinc/14/35/10/341143510.db2.gz UBNMGLXORJMTSJ-GOSISDBHSA-N 2 2 321.468 4.051 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000564297173 341147875 /nfs/dbraw/zinc/14/78/75/341147875.db2.gz MVCQPBYCJZKJKI-UHFFFAOYSA-N 2 2 312.432 4.169 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000564297173 341147876 /nfs/dbraw/zinc/14/78/76/341147876.db2.gz MVCQPBYCJZKJKI-UHFFFAOYSA-N 2 2 312.432 4.169 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000564299620 341153529 /nfs/dbraw/zinc/15/35/29/341153529.db2.gz PXHYZYVWATVJAS-FQEVSTJZSA-N 2 2 314.448 4.319 20 0 DIADLP C[C@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCc2ccccc21 ZINC000547285341 341203602 /nfs/dbraw/zinc/20/36/02/341203602.db2.gz KINBGTNPHZNAEB-IBGZPJMESA-N 2 2 323.465 4.275 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000547395565 341210708 /nfs/dbraw/zinc/21/07/08/341210708.db2.gz SUKZVGDESYROGT-AAEUAGOBSA-N 2 2 313.272 4.055 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000547395565 341210709 /nfs/dbraw/zinc/21/07/09/341210709.db2.gz SUKZVGDESYROGT-AAEUAGOBSA-N 2 2 313.272 4.055 20 0 DIADLP C[C@H]([NH2+]Cc1ccnc2ccccc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000547435807 341213455 /nfs/dbraw/zinc/21/34/55/341213455.db2.gz ADEMDLIKSPYIMH-KKSFZXQISA-N 2 2 319.452 4.016 20 0 DIADLP Clc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000547465639 341215359 /nfs/dbraw/zinc/21/53/59/341215359.db2.gz IZXBSDYSINMSSO-UHFFFAOYSA-N 2 2 323.893 4.290 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000076901074 341215514 /nfs/dbraw/zinc/21/55/14/341215514.db2.gz BTHGXHOUWDGEJV-ICFOKQHNSA-N 2 2 319.452 4.199 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C(C)C)n1 ZINC000547842956 341237104 /nfs/dbraw/zinc/23/71/04/341237104.db2.gz DFBZVWNJKNKOPJ-WBVHZDCISA-N 2 2 323.550 4.257 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000548884411 341279835 /nfs/dbraw/zinc/27/98/35/341279835.db2.gz BGNCYYPJKJQFJQ-OJAHFUOMSA-N 2 2 309.457 4.019 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000548884412 341279865 /nfs/dbraw/zinc/27/98/65/341279865.db2.gz BGNCYYPJKJQFJQ-RNQOJCNYSA-N 2 2 309.457 4.019 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000245700971 341310482 /nfs/dbraw/zinc/31/04/82/341310482.db2.gz RLFMJOAMAOWVEP-OXQOHEQNSA-N 2 2 305.425 4.119 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000245700971 341310483 /nfs/dbraw/zinc/31/04/83/341310483.db2.gz RLFMJOAMAOWVEP-OXQOHEQNSA-N 2 2 305.425 4.119 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c2ccccc21 ZINC000550623145 341319862 /nfs/dbraw/zinc/31/98/62/341319862.db2.gz SUGPLNSAGZXSNZ-OAHLLOKOSA-N 2 2 311.404 4.306 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246229340 341335866 /nfs/dbraw/zinc/33/58/66/341335866.db2.gz FVWTUIFSDWYKGI-OLMNPRSZSA-N 2 2 301.409 4.056 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246229340 341335867 /nfs/dbraw/zinc/33/58/67/341335867.db2.gz FVWTUIFSDWYKGI-OLMNPRSZSA-N 2 2 301.409 4.056 20 0 DIADLP CC1=CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000551268164 341336393 /nfs/dbraw/zinc/33/63/93/341336393.db2.gz PVIXXFBFVSBXEH-GOSISDBHSA-N 2 2 318.892 4.393 20 0 DIADLP CC(C)C[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccccc1Cl ZINC000551421798 341341211 /nfs/dbraw/zinc/34/12/11/341341211.db2.gz KHYDBUIWVYUZMN-HNNXBMFYSA-N 2 2 305.853 4.256 20 0 DIADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccccc1Cl ZINC000551421798 341341212 /nfs/dbraw/zinc/34/12/12/341341212.db2.gz KHYDBUIWVYUZMN-HNNXBMFYSA-N 2 2 305.853 4.256 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000247125706 341361272 /nfs/dbraw/zinc/36/12/72/341361272.db2.gz VBPQYMDQFXVTST-PKOBYXMFSA-N 2 2 317.521 4.098 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000247125706 341361273 /nfs/dbraw/zinc/36/12/73/341361273.db2.gz VBPQYMDQFXVTST-PKOBYXMFSA-N 2 2 317.521 4.098 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247673607 341368771 /nfs/dbraw/zinc/36/87/71/341368771.db2.gz RCMGEKPWOLWMPR-XNJGSVPQSA-N 2 2 321.827 4.320 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247673607 341368772 /nfs/dbraw/zinc/36/87/72/341368772.db2.gz RCMGEKPWOLWMPR-XNJGSVPQSA-N 2 2 321.827 4.320 20 0 DIADLP c1cn(-c2csc(C[NH2+]C[C@@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC000552272982 341382626 /nfs/dbraw/zinc/38/26/26/341382626.db2.gz LLMLWFXZCROOFS-IBGZPJMESA-N 2 2 323.465 4.217 20 0 DIADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000552369935 341389563 /nfs/dbraw/zinc/38/95/63/341389563.db2.gz LRPFLFFSMVJQBI-HLIPFELVSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)[C@@H](C)c1ccccc1 ZINC000090050805 341412887 /nfs/dbraw/zinc/41/28/87/341412887.db2.gz ATEWHMSGZCVVET-IAGOWNOFSA-N 2 2 321.468 4.288 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC000091283974 341424036 /nfs/dbraw/zinc/42/40/36/341424036.db2.gz SZBVECXJIBKNJH-NRFANRHFSA-N 2 2 317.436 4.172 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000261906552 341509117 /nfs/dbraw/zinc/50/91/17/341509117.db2.gz PMQDTKQVJBYQAY-IUIKQTSFSA-N 2 2 318.367 4.083 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)c2sccc21 ZINC000565404468 341526562 /nfs/dbraw/zinc/52/65/62/341526562.db2.gz CHHRNSXMNRXHTF-DOMZBBRYSA-N 2 2 301.459 4.009 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000566169826 341549649 /nfs/dbraw/zinc/54/96/49/341549649.db2.gz HLNSEGVETMXTDO-ZDUSSCGKSA-N 2 2 303.475 4.037 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312789108 341628826 /nfs/dbraw/zinc/62/88/26/341628826.db2.gz YIKGGTJZFVASIT-UHFFFAOYSA-N 2 2 321.317 4.265 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000157560393 341640556 /nfs/dbraw/zinc/64/05/56/341640556.db2.gz HIYGOKZNCUXOMH-OAHLLOKOSA-N 2 2 304.478 4.290 20 0 DIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccccn1 ZINC000159190261 341669419 /nfs/dbraw/zinc/66/94/19/341669419.db2.gz VYHSVTIKZKGTHK-QZTJIDSGSA-N 2 2 323.484 4.396 20 0 DIADLP COc1ccc([C@H]([NH2+]CCCc2c[nH+]ccc2C)C(C)C)cc1 ZINC000574120422 341749240 /nfs/dbraw/zinc/74/92/40/341749240.db2.gz MJEQGOUXXZLNTP-HXUWFJFHSA-N 2 2 312.457 4.318 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)c2ccccc21 ZINC000574508092 341760608 /nfs/dbraw/zinc/76/06/08/341760608.db2.gz GLNCPYGJSOPQNN-AUUYWEPGSA-N 2 2 305.425 4.334 20 0 DIADLP CC[C@@H](C)[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(Cl)cc1 ZINC000577231050 341899058 /nfs/dbraw/zinc/89/90/58/341899058.db2.gz CLGYLEGGVXSIAO-PXAZEXFGSA-N 2 2 305.853 4.259 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(-c3ccc(F)cc3)cc2)n1C ZINC000577769616 341936046 /nfs/dbraw/zinc/93/60/46/341936046.db2.gz QZPGYTRKOKJQEF-CQSZACIVSA-N 2 2 323.415 4.385 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000358228202 518191848 /nfs/dbraw/zinc/19/18/48/518191848.db2.gz OCTVFDRERIPMNQ-KRWDZBQOSA-N 2 2 316.832 4.089 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000158350431 522497512 /nfs/dbraw/zinc/49/75/12/522497512.db2.gz RMAJBAFZNIGDKI-UHFFFAOYSA-N 2 2 320.440 4.144 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000338327327 524790854 /nfs/dbraw/zinc/79/08/54/524790854.db2.gz ZJBVILCLOIYYHC-MRXNPFEDSA-N 2 2 323.465 4.213 20 0 DIADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000226331270 524844340 /nfs/dbraw/zinc/84/43/40/524844340.db2.gz GCISYZWDPIZRRF-SDDRHHMPSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000226331270 524844352 /nfs/dbraw/zinc/84/43/52/524844352.db2.gz GCISYZWDPIZRRF-SDDRHHMPSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000226331273 524859844 /nfs/dbraw/zinc/85/98/44/524859844.db2.gz GCISYZWDPIZRRF-SRVKXCTJSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000226331273 524859851 /nfs/dbraw/zinc/85/98/51/524859851.db2.gz GCISYZWDPIZRRF-SRVKXCTJSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130240031 525620940 /nfs/dbraw/zinc/62/09/40/525620940.db2.gz JHIQKOJAHVNKSM-FPMFFAJLSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130240031 525620948 /nfs/dbraw/zinc/62/09/48/525620948.db2.gz JHIQKOJAHVNKSM-FPMFFAJLSA-N 2 2 313.272 4.271 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C3CCC3)cc1)CCC2 ZINC000339288718 525939459 /nfs/dbraw/zinc/93/94/59/525939459.db2.gz XMJYIEZTYBBFFF-IBGZPJMESA-N 2 2 309.457 4.126 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965678 526054463 /nfs/dbraw/zinc/05/44/63/526054463.db2.gz YDMKYCVTSCZJSI-DGCLKSJQSA-N 2 2 307.800 4.143 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965678 526054473 /nfs/dbraw/zinc/05/44/73/526054473.db2.gz YDMKYCVTSCZJSI-DGCLKSJQSA-N 2 2 307.800 4.143 20 0 DIADLP C[C@@H](c1cccs1)[N@H+](Cc1c[nH+]cn1C)Cc1ccccc1 ZINC000267559819 526147051 /nfs/dbraw/zinc/14/70/51/526147051.db2.gz ATOIYUUSKCPDHX-HNNXBMFYSA-N 2 2 311.454 4.245 20 0 DIADLP C[C@@H](c1cccs1)[N@@H+](Cc1c[nH+]cn1C)Cc1ccccc1 ZINC000267559819 526147058 /nfs/dbraw/zinc/14/70/58/526147058.db2.gz ATOIYUUSKCPDHX-HNNXBMFYSA-N 2 2 311.454 4.245 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)n1-c1ccccc1 ZINC000337250336 527270523 /nfs/dbraw/zinc/27/05/23/527270523.db2.gz JZPDKFASADCRIO-OAHLLOKOSA-N 2 2 319.399 4.096 20 0 DIADLP Cc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]c2ccccc12 ZINC001165049759 721969875 /nfs/dbraw/zinc/96/98/75/721969875.db2.gz WSVMRLJSNTWTIO-GOSISDBHSA-N 2 2 323.484 4.388 20 0 DIADLP CC[NH+](CC)C1CCN(c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001165053969 722002103 /nfs/dbraw/zinc/00/21/03/722002103.db2.gz UYVLWINRUQQGFR-UHFFFAOYSA-N 2 2 317.864 4.199 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000035625576 1035759311 /nfs/dbraw/zinc/75/93/11/1035759311.db2.gz LIMWYPYAVMMISM-HNNXBMFYSA-N 2 2 301.261 4.128 20 0 DIADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000035625489 1035759420 /nfs/dbraw/zinc/75/94/20/1035759420.db2.gz LLVRIIBXQSYIRO-HNNXBMFYSA-N 2 2 312.244 4.321 20 0 DIADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000339681807 1035914187 /nfs/dbraw/zinc/91/41/87/1035914187.db2.gz ZXBFKPIVXWHADT-OAHLLOKOSA-N 2 2 312.244 4.321 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000579871326 1035945818 /nfs/dbraw/zinc/94/58/18/1035945818.db2.gz FPKAXXPSWAFDFC-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP CCC[NH+]1CCC([NH2+]C(c2cccs2)c2cccs2)CC1 ZINC000037236927 1035977319 /nfs/dbraw/zinc/97/73/19/1035977319.db2.gz IAGJJRIHVQYAJG-UHFFFAOYSA-N 2 2 320.527 4.363 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000037292710 1035994824 /nfs/dbraw/zinc/99/48/24/1035994824.db2.gz XOVWICDKICKNRW-BZUAXINKSA-N 2 2 322.905 4.093 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000037292710 1035994834 /nfs/dbraw/zinc/99/48/34/1035994834.db2.gz XOVWICDKICKNRW-BZUAXINKSA-N 2 2 322.905 4.093 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(C4CCCC4)cc3)C2)[nH]1 ZINC000579885535 1036097307 /nfs/dbraw/zinc/09/73/07/1036097307.db2.gz YATRAQBQVMOWAE-IBGZPJMESA-N 2 2 309.457 4.447 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(C4CCCC4)cc3)C2)[nH]1 ZINC000579885535 1036097329 /nfs/dbraw/zinc/09/73/29/1036097329.db2.gz YATRAQBQVMOWAE-IBGZPJMESA-N 2 2 309.457 4.447 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1Cl ZINC000037786460 1036133229 /nfs/dbraw/zinc/13/32/29/1036133229.db2.gz FBOMBZOSPIKLRX-LBPRGKRZSA-N 2 2 312.860 4.393 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccoc2)c(C)c1 ZINC000537951022 1036171632 /nfs/dbraw/zinc/17/16/32/1036171632.db2.gz WDSKBWNBSHQGDA-LPHOPBHVSA-N 2 2 309.413 4.185 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000120839464 1036262727 /nfs/dbraw/zinc/26/27/27/1036262727.db2.gz CLGJBMKFDFFPGC-GOSISDBHSA-N 2 2 310.432 4.124 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)o1 ZINC000340414168 1036538166 /nfs/dbraw/zinc/53/81/66/1036538166.db2.gz AIBZTKICDUTBLZ-ZDUSSCGKSA-N 2 2 313.376 4.072 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000078372405 1036705467 /nfs/dbraw/zinc/70/54/67/1036705467.db2.gz GVJGMUISJHFTEW-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000152258525 1036930052 /nfs/dbraw/zinc/93/00/52/1036930052.db2.gz REBYHKFGYIGOSG-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000071088745 1037072031 /nfs/dbraw/zinc/07/20/31/1037072031.db2.gz KXIUSBBEHOCBIG-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP C/C(=C/c1ccccc1)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000580498772 1037169568 /nfs/dbraw/zinc/16/95/68/1037169568.db2.gz AJPMNIRMKDWSQF-SDXDJHTJSA-N 2 2 324.468 4.279 20 0 DIADLP C/C(=C/c1ccccc1)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000580498772 1037169580 /nfs/dbraw/zinc/16/95/80/1037169580.db2.gz AJPMNIRMKDWSQF-SDXDJHTJSA-N 2 2 324.468 4.279 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489820854 1038227962 /nfs/dbraw/zinc/22/79/62/1038227962.db2.gz WDLYQGGWBPZPPF-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000489820854 1038227975 /nfs/dbraw/zinc/22/79/75/1038227975.db2.gz WDLYQGGWBPZPPF-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000489820854 1038227976 /nfs/dbraw/zinc/22/79/76/1038227976.db2.gz WDLYQGGWBPZPPF-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000489820854 1038227979 /nfs/dbraw/zinc/22/79/79/1038227979.db2.gz WDLYQGGWBPZPPF-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2sccc21 ZINC000061327984 1038312843 /nfs/dbraw/zinc/31/28/43/1038312843.db2.gz SFEOETZDFMPIMI-GOEBONIOSA-N 2 2 303.475 4.027 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)c[nH+]1 ZINC000152118147 1038574056 /nfs/dbraw/zinc/57/40/56/1038574056.db2.gz TVHPKQOHUHYARQ-NRFANRHFSA-N 2 2 317.436 4.099 20 0 DIADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152260582 1038599406 /nfs/dbraw/zinc/59/94/06/1038599406.db2.gz CDRYVICODDFZHJ-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152272389 1038601041 /nfs/dbraw/zinc/60/10/41/1038601041.db2.gz QBLQMFKMEXBMAR-VLIAUNLRSA-N 2 2 321.399 4.035 20 0 DIADLP Cc1cc([NH+]2CCCCCC2)ccc1NCc1c[nH+]c2n1CCC2 ZINC000657463988 1038703424 /nfs/dbraw/zinc/70/34/24/1038703424.db2.gz ICTRBZKJEGGOKQ-UHFFFAOYSA-N 2 2 324.472 4.130 20 0 DIADLP Cc1[nH]c(CNc2ccc([N@H+]3CCCC[C@H]3C)cc2C)[nH+]c1C ZINC000563440826 1038763353 /nfs/dbraw/zinc/76/33/53/1038763353.db2.gz SLXPDUBIJOJNRA-CQSZACIVSA-N 2 2 312.461 4.326 20 0 DIADLP Cc1[nH]c(CNc2ccc([N@@H+]3CCCC[C@H]3C)cc2C)[nH+]c1C ZINC000563440826 1038763359 /nfs/dbraw/zinc/76/33/59/1038763359.db2.gz SLXPDUBIJOJNRA-CQSZACIVSA-N 2 2 312.461 4.326 20 0 DIADLP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@@H](C)C1 ZINC000657590191 1038889583 /nfs/dbraw/zinc/88/95/83/1038889583.db2.gz XBAYQCZEHUHHMR-FICVDOATSA-N 2 2 320.443 4.065 20 0 DIADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000078336180 1038920818 /nfs/dbraw/zinc/92/08/18/1038920818.db2.gz SIPYFLMFPDOTMV-UHFFFAOYSA-N 2 2 314.820 4.285 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)CCC2 ZINC000534328910 1039025842 /nfs/dbraw/zinc/02/58/42/1039025842.db2.gz SVJKVTQEKKUSOG-JSGCOSHPSA-N 2 2 321.827 4.212 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)CCC2 ZINC000534328912 1039026333 /nfs/dbraw/zinc/02/63/33/1039026333.db2.gz SVJKVTQEKKUSOG-TZMCWYRMSA-N 2 2 321.827 4.212 20 0 DIADLP CC[C@@H](C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000539493769 1039268174 /nfs/dbraw/zinc/26/81/74/1039268174.db2.gz PUYAPBZMEJHZEW-RHSMWYFYSA-N 2 2 305.853 4.304 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000539838188 1039352453 /nfs/dbraw/zinc/35/24/53/1039352453.db2.gz DOELIMPZPUMYFU-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000539838188 1039352465 /nfs/dbraw/zinc/35/24/65/1039352465.db2.gz DOELIMPZPUMYFU-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838188 1039352478 /nfs/dbraw/zinc/35/24/78/1039352478.db2.gz DOELIMPZPUMYFU-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838188 1039352492 /nfs/dbraw/zinc/35/24/92/1039352492.db2.gz DOELIMPZPUMYFU-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1Cl ZINC000540410990 1039488979 /nfs/dbraw/zinc/48/89/79/1039488979.db2.gz IVAVOKSYKXUVPY-RYUDHWBXSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1Cl ZINC000540410990 1039488990 /nfs/dbraw/zinc/48/89/90/1039488990.db2.gz IVAVOKSYKXUVPY-RYUDHWBXSA-N 2 2 301.261 4.128 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628149396 1039542910 /nfs/dbraw/zinc/54/29/10/1039542910.db2.gz YANFFAGWYGMIPI-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628149396 1039542920 /nfs/dbraw/zinc/54/29/20/1039542920.db2.gz YANFFAGWYGMIPI-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)c1ccccc1 ZINC000657815761 1039544749 /nfs/dbraw/zinc/54/47/49/1039544749.db2.gz IKEXXQLOWHNFAE-HOCLYGCPSA-N 2 2 312.448 4.339 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000086279238 1039757292 /nfs/dbraw/zinc/75/72/92/1039757292.db2.gz WMJUSGOHZISBQH-LBPRGKRZSA-N 2 2 315.804 4.278 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)cc1 ZINC000092767188 1039884061 /nfs/dbraw/zinc/88/40/61/1039884061.db2.gz WYCFWALIYHLXAZ-KGLIPLIRSA-N 2 2 324.403 4.127 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)cc1 ZINC000092767189 1039884553 /nfs/dbraw/zinc/88/45/53/1039884553.db2.gz WYCFWALIYHLXAZ-KBPBESRZSA-N 2 2 324.403 4.127 20 0 DIADLP CCOC1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000657880727 1039987643 /nfs/dbraw/zinc/98/76/43/1039987643.db2.gz KCZXMUACMWRDDG-IVMQYODDSA-N 2 2 318.505 4.053 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C(C)(C)C(F)F)c1ccccc1 ZINC000657882897 1039993148 /nfs/dbraw/zinc/99/31/48/1039993148.db2.gz WBVGMVZEUUQPFE-KBPBESRZSA-N 2 2 312.448 4.385 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)(C)C(F)F ZINC000657882899 1039993792 /nfs/dbraw/zinc/99/37/92/1039993792.db2.gz WBVGMVZEUUQPFE-UONOGXRCSA-N 2 2 312.448 4.385 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccccc2C2CC2)CC1 ZINC000685467665 1040066270 /nfs/dbraw/zinc/06/62/70/1040066270.db2.gz HGMRBNKEJLASIO-UHFFFAOYSA-N 2 2 324.468 4.253 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccccc2C2CC2)CC1 ZINC000685467665 1040066286 /nfs/dbraw/zinc/06/62/86/1040066286.db2.gz HGMRBNKEJLASIO-UHFFFAOYSA-N 2 2 324.468 4.253 20 0 DIADLP Cc1cccc(C([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(C)c2)c1 ZINC000493230758 1040142657 /nfs/dbraw/zinc/14/26/57/1040142657.db2.gz PQHJCNFKCHRJPH-RXVVDRJESA-N 2 2 322.496 4.465 20 0 DIADLP Cc1cccc(C([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(C)c2)c1 ZINC000493230758 1040142668 /nfs/dbraw/zinc/14/26/68/1040142668.db2.gz PQHJCNFKCHRJPH-RXVVDRJESA-N 2 2 322.496 4.465 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000685617340 1040161366 /nfs/dbraw/zinc/16/13/66/1040161366.db2.gz JWBBNCYIROJZKN-XKGZKEIXSA-N 2 2 323.484 4.286 20 0 DIADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000685662316 1040204609 /nfs/dbraw/zinc/20/46/09/1040204609.db2.gz OPINKOJQDKLTPT-BXUZGUMPSA-N 2 2 324.255 4.315 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414064235 1040811250 /nfs/dbraw/zinc/81/12/50/1040811250.db2.gz NIOLHHHOTFCWGO-UWWQBHOKSA-N 2 2 317.864 4.241 20 0 DIADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc(C[NH+](C)C)cc1 ZINC001204632066 1041435827 /nfs/dbraw/zinc/43/58/27/1041435827.db2.gz RTCVQMWHFXPREC-UHFFFAOYSA-N 2 2 309.457 4.109 20 0 DIADLP CCCCCCOc1cccc(C[NH2+]C2CC[NH+](CC)CC2)c1 ZINC000236668367 1041538406 /nfs/dbraw/zinc/53/84/06/1041538406.db2.gz BLZACCNJEGNYND-UHFFFAOYSA-N 2 2 318.505 4.220 20 0 DIADLP CC(C)[N@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001141106285 1041592151 /nfs/dbraw/zinc/59/21/51/1041592151.db2.gz WJGUQAFAQNPGSO-UHFFFAOYSA-N 2 2 302.506 4.289 20 0 DIADLP CC(C)[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001141106285 1041592153 /nfs/dbraw/zinc/59/21/53/1041592153.db2.gz WJGUQAFAQNPGSO-UHFFFAOYSA-N 2 2 302.506 4.289 20 0 DIADLP c1ccc(NC2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)[nH+]c1 ZINC000660146967 1041631561 /nfs/dbraw/zinc/63/15/61/1041631561.db2.gz ASQSAEJZOTUROZ-SFHVURJKSA-N 2 2 321.468 4.078 20 0 DIADLP CC[C@@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812836199 1041655698 /nfs/dbraw/zinc/65/56/98/1041655698.db2.gz SFSVBDGXXMEYMO-IAGOWNOFSA-N 2 2 317.521 4.136 20 0 DIADLP COc1cccc([C@H](C)[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660679692 1041850701 /nfs/dbraw/zinc/85/07/01/1041850701.db2.gz SIGIOMSJGCIJDV-KRWDZBQOSA-N 2 2 324.468 4.010 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651672804 1041874993 /nfs/dbraw/zinc/87/49/93/1041874993.db2.gz LPMSVZOAAAIRRO-KRWDZBQOSA-N 2 2 311.473 4.130 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651672804 1041874996 /nfs/dbraw/zinc/87/49/96/1041874996.db2.gz LPMSVZOAAAIRRO-KRWDZBQOSA-N 2 2 311.473 4.130 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651672805 1041875184 /nfs/dbraw/zinc/87/51/84/1041875184.db2.gz LPMSVZOAAAIRRO-QGZVFWFLSA-N 2 2 311.473 4.130 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651672805 1041875186 /nfs/dbraw/zinc/87/51/86/1041875186.db2.gz LPMSVZOAAAIRRO-QGZVFWFLSA-N 2 2 311.473 4.130 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651741557 1041900794 /nfs/dbraw/zinc/90/07/94/1041900794.db2.gz NUWGFUCXXIIOBK-MBOZVWFJSA-N 2 2 315.505 4.165 20 0 DIADLP c1coc([C@H]2[N@H+](CCC[NH+]3CCCCC3)CC23CCCC3)c1 ZINC000661435830 1041937438 /nfs/dbraw/zinc/93/74/38/1041937438.db2.gz IMRMSZMTQFASIX-GOSISDBHSA-N 2 2 302.462 4.073 20 0 DIADLP c1coc([C@H]2[N@@H+](CCC[NH+]3CCCCC3)CC23CCCC3)c1 ZINC000661435830 1041937441 /nfs/dbraw/zinc/93/74/41/1041937441.db2.gz IMRMSZMTQFASIX-GOSISDBHSA-N 2 2 302.462 4.073 20 0 DIADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000204333986 1041961814 /nfs/dbraw/zinc/96/18/14/1041961814.db2.gz JQPCIKQLDXDGKB-HNNXBMFYSA-N 2 2 320.440 4.200 20 0 DIADLP c1cn(-c2ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC001159431366 1041995146 /nfs/dbraw/zinc/99/51/46/1041995146.db2.gz ZPVSBSRADSVIFM-IBGZPJMESA-N 2 2 304.397 4.040 20 0 DIADLP CCOc1cccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000162872045 1042088834 /nfs/dbraw/zinc/08/88/34/1042088834.db2.gz ANLPTHHUAPLSKC-INIZCTEOSA-N 2 2 313.445 4.023 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1F ZINC000161789511 1042114942 /nfs/dbraw/zinc/11/49/42/1042114942.db2.gz MXJPSMNHUXSTQS-MRXNPFEDSA-N 2 2 312.860 4.393 20 0 DIADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)(F)F ZINC000663358229 1042132989 /nfs/dbraw/zinc/13/29/89/1042132989.db2.gz WJYFXQZGWORUFN-UHFFFAOYSA-N 2 2 317.380 4.002 20 0 DIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000604414262 1042211113 /nfs/dbraw/zinc/21/11/13/1042211113.db2.gz HMTSTRLIDJUXMT-UHFFFAOYSA-N 2 2 318.436 4.072 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390911003 1042255025 /nfs/dbraw/zinc/25/50/25/1042255025.db2.gz OSWYGOVOCJLKPW-GDBMZVCRSA-N 2 2 319.399 4.348 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000037977255 1042267263 /nfs/dbraw/zinc/26/72/63/1042267263.db2.gz HFDCKDLMMOOBRZ-JTQLQIEISA-N 2 2 319.251 4.267 20 0 DIADLP CC(C)CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000513334293 1042534748 /nfs/dbraw/zinc/53/47/48/1042534748.db2.gz GEARWHAJCUKQHO-UHFFFAOYSA-N 2 2 320.443 4.209 20 0 DIADLP CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCCCC1 ZINC000513471267 1042546055 /nfs/dbraw/zinc/54/60/55/1042546055.db2.gz ZLNCUSNWTAEMLA-UHFFFAOYSA-N 2 2 320.443 4.353 20 0 DIADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000421860240 1042658373 /nfs/dbraw/zinc/65/83/73/1042658373.db2.gz UHTZYSYIEOUHCC-JEYLPNPQSA-N 2 2 322.880 4.016 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000271750454 1042667290 /nfs/dbraw/zinc/66/72/90/1042667290.db2.gz HKMJZVIDHWLTEP-OAQYLSRUSA-N 2 2 319.452 4.418 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422785033 1042689853 /nfs/dbraw/zinc/68/98/53/1042689853.db2.gz QMQLOFAFUAXWTB-QINHECLXSA-N 2 2 324.468 4.153 20 0 DIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422908056 1042692490 /nfs/dbraw/zinc/69/24/90/1042692490.db2.gz XVQCZNKSMGMKML-IAGOWNOFSA-N 2 2 310.372 4.115 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000422869011 1042692599 /nfs/dbraw/zinc/69/25/99/1042692599.db2.gz WPRJIUPCGMZKTH-CVEARBPZSA-N 2 2 324.321 4.079 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc2cccc(F)c2o1 ZINC000423070409 1042696147 /nfs/dbraw/zinc/69/61/47/1042696147.db2.gz NGJXMUIYHZCOTH-JECHBYEQSA-N 2 2 310.372 4.367 20 0 DIADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423241195 1042701837 /nfs/dbraw/zinc/70/18/37/1042701837.db2.gz LCXJJMHRCAKEFO-KBXCAEBGSA-N 2 2 300.471 4.149 20 0 DIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000423231969 1042702138 /nfs/dbraw/zinc/70/21/38/1042702138.db2.gz BNMSAVHLPAVXDV-LRDDRELGSA-N 2 2 308.347 4.056 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000423250041 1042703039 /nfs/dbraw/zinc/70/30/39/1042703039.db2.gz UJBXYCKKEOIDKU-CTNGQTDRSA-N 2 2 323.484 4.346 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(F)c1F ZINC001167974898 1042968251 /nfs/dbraw/zinc/96/82/51/1042968251.db2.gz DPSOFETTWDTHFH-OHRKKDJYSA-N 2 2 320.427 4.021 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(F)c1F ZINC001167974898 1042968254 /nfs/dbraw/zinc/96/82/54/1042968254.db2.gz DPSOFETTWDTHFH-OHRKKDJYSA-N 2 2 320.427 4.021 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000520216561 1043025429 /nfs/dbraw/zinc/02/54/29/1043025429.db2.gz SDBFZXGKFDKYRL-QGZVFWFLSA-N 2 2 319.452 4.328 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353148 1043038047 /nfs/dbraw/zinc/03/80/47/1043038047.db2.gz GKGDEPZVPXXMJK-MAUKXSAKSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353148 1043038049 /nfs/dbraw/zinc/03/80/49/1043038049.db2.gz GKGDEPZVPXXMJK-MAUKXSAKSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441353148 1043038050 /nfs/dbraw/zinc/03/80/50/1043038050.db2.gz GKGDEPZVPXXMJK-MAUKXSAKSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441353148 1043038051 /nfs/dbraw/zinc/03/80/51/1043038051.db2.gz GKGDEPZVPXXMJK-MAUKXSAKSA-N 2 2 310.432 4.222 20 0 DIADLP CC(C)C1CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000323771968 1043180551 /nfs/dbraw/zinc/18/05/51/1043180551.db2.gz ZTYKHEOZMWUXPH-UHFFFAOYSA-N 2 2 315.505 4.102 20 0 DIADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccnc1 ZINC000185134122 1043194051 /nfs/dbraw/zinc/19/40/51/1043194051.db2.gz CJSNNXWLYOFCCJ-GOSISDBHSA-N 2 2 324.403 4.037 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC001168004827 1043237776 /nfs/dbraw/zinc/23/77/76/1043237776.db2.gz AETBFZMEVJNNTC-HGKCTWBKSA-N 2 2 312.457 4.119 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC001168004827 1043237779 /nfs/dbraw/zinc/23/77/79/1043237779.db2.gz AETBFZMEVJNNTC-HGKCTWBKSA-N 2 2 312.457 4.119 20 0 DIADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000427691368 1043297837 /nfs/dbraw/zinc/29/78/37/1043297837.db2.gz UHHPKBGISLVLMO-LJQANCHMSA-N 2 2 311.473 4.131 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)cc1 ZINC000427872223 1043311097 /nfs/dbraw/zinc/31/10/97/1043311097.db2.gz JIICLSFQPVGLBI-OXQOHEQNSA-N 2 2 317.436 4.216 20 0 DIADLP CC(C)(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427890944 1043313058 /nfs/dbraw/zinc/31/30/58/1043313058.db2.gz KJIPXDYPSHOZME-DNVCBOLYSA-N 2 2 323.440 4.321 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268739121 1043327955 /nfs/dbraw/zinc/32/79/55/1043327955.db2.gz CKNLFLSSYJKCBV-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000268768069 1043329061 /nfs/dbraw/zinc/32/90/61/1043329061.db2.gz OQIFISLRAJLJTC-NRFANRHFSA-N 2 2 317.436 4.017 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000268789980 1043331198 /nfs/dbraw/zinc/33/11/98/1043331198.db2.gz XLJXSZDEBASISB-FQEVSTJZSA-N 2 2 305.425 4.172 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1C ZINC000268790846 1043331226 /nfs/dbraw/zinc/33/12/26/1043331226.db2.gz XYRLYUOBKGVDAZ-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc(-n2cc[nH+]c2)c1 ZINC000268922540 1043342448 /nfs/dbraw/zinc/34/24/48/1043342448.db2.gz JZQLWRNEIIQHPU-JLTOFOAXSA-N 2 2 321.399 4.350 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)ccc1F ZINC000269065827 1043354112 /nfs/dbraw/zinc/35/41/12/1043354112.db2.gz YXGLLJNLUYMMLJ-GOSISDBHSA-N 2 2 308.416 4.022 20 0 DIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000925303653 1043411045 /nfs/dbraw/zinc/41/10/45/1043411045.db2.gz PJSNDPREJMBJBQ-NSHDSACASA-N 2 2 320.424 4.290 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)(C)CC ZINC000872052878 1043437493 /nfs/dbraw/zinc/43/74/93/1043437493.db2.gz RHYTYSUJYONFFN-LPHOPBHVSA-N 2 2 317.521 4.411 20 0 DIADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cc(F)ccc1OC ZINC000925828580 1043478093 /nfs/dbraw/zinc/47/80/93/1043478093.db2.gz XYOQEMPYQHYLNR-BZSNNMDCSA-N 2 2 314.404 4.020 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cc(Cl)c1F ZINC000925831420 1043480194 /nfs/dbraw/zinc/48/01/94/1043480194.db2.gz SVQWVXAPNJUFIA-QDEIUJJKSA-N 2 2 317.235 4.066 20 0 DIADLP Clc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)o2)cc1 ZINC000521821904 1043487286 /nfs/dbraw/zinc/48/72/86/1043487286.db2.gz DQVMHDOWLFLXNJ-UHFFFAOYSA-N 2 2 318.848 4.176 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@H](C)c3c1cccc3C)CCC2 ZINC000349249312 1043498782 /nfs/dbraw/zinc/49/87/82/1043498782.db2.gz TXTZWCFOAHLYJP-ZVZYQTTQSA-N 2 2 309.457 4.215 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000873281233 1043531918 /nfs/dbraw/zinc/53/19/18/1043531918.db2.gz HJAURAMPKAEOQE-OLZOCXBDSA-N 2 2 312.360 4.001 20 0 DIADLP C[C@H](C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985514 1043539656 /nfs/dbraw/zinc/53/96/56/1043539656.db2.gz FEKSEKVZVUVZBM-VQIMIIECSA-N 2 2 302.506 4.169 20 0 DIADLP C[C@H](C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985514 1043539670 /nfs/dbraw/zinc/53/96/70/1043539670.db2.gz FEKSEKVZVUVZBM-VQIMIIECSA-N 2 2 302.506 4.169 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718016397 1043546888 /nfs/dbraw/zinc/54/68/88/1043546888.db2.gz GVHRJJYBMHDQKE-LSTHTHJFSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718016397 1043546893 /nfs/dbraw/zinc/54/68/93/1043546893.db2.gz GVHRJJYBMHDQKE-LSTHTHJFSA-N 2 2 314.517 4.311 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014455 1043547337 /nfs/dbraw/zinc/54/73/37/1043547337.db2.gz BOUPWZLIOQKLCC-PMACEKPBSA-N 2 2 314.517 4.455 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014455 1043547343 /nfs/dbraw/zinc/54/73/43/1043547343.db2.gz BOUPWZLIOQKLCC-PMACEKPBSA-N 2 2 314.517 4.455 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC000718015122 1043548015 /nfs/dbraw/zinc/54/80/15/1043548015.db2.gz CTKVNBXWIDWCGW-NRFANRHFSA-N 2 2 314.517 4.457 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC000718015122 1043548024 /nfs/dbraw/zinc/54/80/24/1043548024.db2.gz CTKVNBXWIDWCGW-NRFANRHFSA-N 2 2 314.517 4.457 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718016396 1043548074 /nfs/dbraw/zinc/54/80/74/1043548074.db2.gz GVHRJJYBMHDQKE-AHRSYUTCSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718016396 1043548079 /nfs/dbraw/zinc/54/80/79/1043548079.db2.gz GVHRJJYBMHDQKE-AHRSYUTCSA-N 2 2 314.517 4.311 20 0 DIADLP Cc1ccccc1C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000926538821 1043597654 /nfs/dbraw/zinc/59/76/54/1043597654.db2.gz CQGPXUONCTZQRJ-NXEWRWPSSA-N 2 2 324.468 4.087 20 0 DIADLP Cc1ccccc1C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000926538821 1043597660 /nfs/dbraw/zinc/59/76/60/1043597660.db2.gz CQGPXUONCTZQRJ-NXEWRWPSSA-N 2 2 324.468 4.087 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(C)c1 ZINC000353494715 1043611829 /nfs/dbraw/zinc/61/18/29/1043611829.db2.gz DWGFWRDSJHLCCN-LJQANCHMSA-N 2 2 305.425 4.422 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000353592369 1043620135 /nfs/dbraw/zinc/62/01/35/1043620135.db2.gz ANFBZGYIPQJENO-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000191474388 1043641421 /nfs/dbraw/zinc/64/14/21/1043641421.db2.gz CTYQPPKNQVRBDW-AWEZNQCLSA-N 2 2 321.415 4.197 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000191474326 1043642491 /nfs/dbraw/zinc/64/24/91/1043642491.db2.gz HCHJMZIUDODUEN-AWEZNQCLSA-N 2 2 321.415 4.197 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000191474326 1043642499 /nfs/dbraw/zinc/64/24/99/1043642499.db2.gz HCHJMZIUDODUEN-AWEZNQCLSA-N 2 2 321.415 4.197 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000191474402 1043642575 /nfs/dbraw/zinc/64/25/75/1043642575.db2.gz CTYQPPKNQVRBDW-CQSZACIVSA-N 2 2 321.415 4.197 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474717588 1043898856 /nfs/dbraw/zinc/89/88/56/1043898856.db2.gz YGYDZRDVSYWEKR-HUUCEWRRSA-N 2 2 319.518 4.110 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474717588 1043898869 /nfs/dbraw/zinc/89/88/69/1043898869.db2.gz YGYDZRDVSYWEKR-HUUCEWRRSA-N 2 2 319.518 4.110 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474717587 1043899212 /nfs/dbraw/zinc/89/92/12/1043899212.db2.gz YGYDZRDVSYWEKR-GJZGRUSLSA-N 2 2 319.518 4.110 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000474717587 1043899203 /nfs/dbraw/zinc/89/92/03/1043899203.db2.gz YGYDZRDVSYWEKR-GJZGRUSLSA-N 2 2 319.518 4.110 20 0 DIADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000290009373 1043909591 /nfs/dbraw/zinc/90/95/91/1043909591.db2.gz LTVARDUFGDUTEK-INIZCTEOSA-N 2 2 324.255 4.107 20 0 DIADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000290009373 1043909604 /nfs/dbraw/zinc/90/96/04/1043909604.db2.gz LTVARDUFGDUTEK-INIZCTEOSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000179315150 1043957773 /nfs/dbraw/zinc/95/77/73/1043957773.db2.gz BTLIAHNAVCTTHH-ZDUSSCGKSA-N 2 2 323.362 4.128 20 0 DIADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000179315150 1043957779 /nfs/dbraw/zinc/95/77/79/1043957779.db2.gz BTLIAHNAVCTTHH-ZDUSSCGKSA-N 2 2 323.362 4.128 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000562104633 1044067421 /nfs/dbraw/zinc/06/74/21/1044067421.db2.gz VEPVDQKRJKEXDN-KGLIPLIRSA-N 2 2 323.440 4.235 20 0 DIADLP C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359661204 1044187510 /nfs/dbraw/zinc/18/75/10/1044187510.db2.gz MULQYTXCYPCYGO-KRWDZBQOSA-N 2 2 317.436 4.255 20 0 DIADLP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000347145758 1044200275 /nfs/dbraw/zinc/20/02/75/1044200275.db2.gz YGMZQLDSGJLREV-HNNXBMFYSA-N 2 2 323.362 4.035 20 0 DIADLP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000347145758 1044200285 /nfs/dbraw/zinc/20/02/85/1044200285.db2.gz YGMZQLDSGJLREV-HNNXBMFYSA-N 2 2 323.362 4.035 20 0 DIADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000563574862 1044282631 /nfs/dbraw/zinc/28/26/31/1044282631.db2.gz SGLIIEAGTKESJA-YLJYHZDGSA-N 2 2 323.484 4.056 20 0 DIADLP c1cn(C[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883386568 1044298469 /nfs/dbraw/zinc/29/84/69/1044298469.db2.gz IKAAHFZTIPXYHE-SFTDATJTSA-N 2 2 317.436 4.292 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883387300 1044298583 /nfs/dbraw/zinc/29/85/83/1044298583.db2.gz VHZWYTBMCZYVDA-QAPCUYQASA-N 2 2 309.413 4.131 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387138 1044299286 /nfs/dbraw/zinc/29/92/86/1044299286.db2.gz SCPKWCKPHPFVCI-PMACEKPBSA-N 2 2 321.399 4.041 20 0 DIADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386603 1044299943 /nfs/dbraw/zinc/29/99/43/1044299943.db2.gz JHVAKRIWGVASHY-LEWJYISDSA-N 2 2 317.436 4.210 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387270 1044300500 /nfs/dbraw/zinc/30/05/00/1044300500.db2.gz UWCYSGQLKZXPSQ-YLJYHZDGSA-N 2 2 305.425 4.284 20 0 DIADLP c1cn(C[C@@H]([NH2+][C@H]2CCCc3sccc32)c2ccccc2)c[nH+]1 ZINC000883386138 1044300787 /nfs/dbraw/zinc/30/07/87/1044300787.db2.gz AFFVNPRWKBSHAQ-ZWKOTPCHSA-N 2 2 323.465 4.353 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386354 1044301092 /nfs/dbraw/zinc/30/10/92/1044301092.db2.gz DQOAZZZRAHKSAF-RDJZCZTQSA-N 2 2 311.454 4.345 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000883387621 1044303360 /nfs/dbraw/zinc/30/33/60/1044303360.db2.gz ALUUTXPBXMOMAF-TYCQWZJGSA-N 2 2 317.436 4.463 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000883387990 1044303460 /nfs/dbraw/zinc/30/34/60/1044303460.db2.gz JYIAOWDQNBEURK-QAPCUYQASA-N 2 2 311.454 4.345 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)oc1C ZINC000883388399 1044303514 /nfs/dbraw/zinc/30/35/14/1044303514.db2.gz UNPNSXHYCYKOSJ-QAPCUYQASA-N 2 2 309.413 4.185 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883398103 1044303991 /nfs/dbraw/zinc/30/39/91/1044303991.db2.gz CWIIEJZZEAEUPS-MNEFBYGVSA-N 2 2 321.424 4.131 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388329 1044304082 /nfs/dbraw/zinc/30/40/82/1044304082.db2.gz SBPGRXMUEKSIRG-OXJNMPFZSA-N 2 2 323.415 4.423 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361099081 1044361004 /nfs/dbraw/zinc/36/10/04/1044361004.db2.gz YKFRVTGVZNHVHA-VQIMIIECSA-N 2 2 317.436 4.253 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)c[nH+]1 ZINC000361482260 1044407271 /nfs/dbraw/zinc/40/72/71/1044407271.db2.gz WFSVSASZNNWPGB-FQEVSTJZSA-N 2 2 303.409 4.040 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCSc4ccccc43)c2)c[nH+]1 ZINC000361485059 1044407646 /nfs/dbraw/zinc/40/76/46/1044407646.db2.gz MBSIMHUZEQWHQQ-GOSISDBHSA-N 2 2 321.449 4.199 20 0 DIADLP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000361482246 1044408239 /nfs/dbraw/zinc/40/82/39/1044408239.db2.gz WDYGERCMBBPOLF-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1OC ZINC000361480716 1044408430 /nfs/dbraw/zinc/40/84/30/1044408430.db2.gz FETLYOWDFHATCK-LJQANCHMSA-N 2 2 321.424 4.122 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000361865792 1044453769 /nfs/dbraw/zinc/45/37/69/1044453769.db2.gz PWICWAORZVTDJR-HXUWFJFHSA-N 2 2 305.425 4.422 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000361866016 1044454061 /nfs/dbraw/zinc/45/40/61/1044454061.db2.gz RRMWRWDOSDFHNB-INIZCTEOSA-N 2 2 321.424 4.499 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000361866016 1044454062 /nfs/dbraw/zinc/45/40/62/1044454062.db2.gz RRMWRWDOSDFHNB-INIZCTEOSA-N 2 2 321.424 4.499 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000475553482 1044498641 /nfs/dbraw/zinc/49/86/41/1044498641.db2.gz KMGOMVLRQSAHIH-UHFFFAOYSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000475553482 1044498645 /nfs/dbraw/zinc/49/86/45/1044498645.db2.gz KMGOMVLRQSAHIH-UHFFFAOYSA-N 2 2 308.897 4.207 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)o2)cc1 ZINC000475565675 1044507223 /nfs/dbraw/zinc/50/72/23/1044507223.db2.gz FPZVEKVINYJNRL-UHFFFAOYSA-N 2 2 324.468 4.362 20 0 DIADLP CCc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000041631397 1044511733 /nfs/dbraw/zinc/51/17/33/1044511733.db2.gz HODBRDIDJSVNGR-XJKSGUPXSA-N 2 2 305.491 4.273 20 0 DIADLP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000566720435 1044511802 /nfs/dbraw/zinc/51/18/02/1044511802.db2.gz CXNRSCLUFCOKRM-HZPDHXFCSA-N 2 2 303.494 4.021 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362514139 1044522991 /nfs/dbraw/zinc/52/29/91/1044522991.db2.gz XLCIVRIBZPAIFY-QGZVFWFLSA-N 2 2 305.425 4.251 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362514139 1044522994 /nfs/dbraw/zinc/52/29/94/1044522994.db2.gz XLCIVRIBZPAIFY-QGZVFWFLSA-N 2 2 305.425 4.251 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000568334045 1044616324 /nfs/dbraw/zinc/61/63/24/1044616324.db2.gz QTMCOKAPUWAWCF-KUHUBIRLSA-N 2 2 309.413 4.000 20 0 DIADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000568735727 1044647106 /nfs/dbraw/zinc/64/71/06/1044647106.db2.gz CEAKKJSMMWNTBX-CRAIPNDOSA-N 2 2 303.494 4.242 20 0 DIADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000568735729 1044647236 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1045076693 /nfs/dbraw/zinc/07/66/93/1045076693.db2.gz CTRCPTMHEZSRRB-WDSOQIARSA-N 2 2 324.493 4.259 20 0 DIADLP Clc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CCC2)cc1 ZINC000576939541 1045090719 /nfs/dbraw/zinc/09/07/19/1045090719.db2.gz NQDDSPFDDBLVTK-SFHVURJKSA-N 2 2 317.864 4.448 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@@H+]1C ZINC000525709176 1045112897 /nfs/dbraw/zinc/11/28/97/1045112897.db2.gz ZAUWBFWMOILPMO-KGLIPLIRSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@H+]1C ZINC000525709176 1045112903 /nfs/dbraw/zinc/11/29/03/1045112903.db2.gz ZAUWBFWMOILPMO-KGLIPLIRSA-N 2 2 318.848 4.172 20 0 DIADLP CC(C)[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000447539884 1045142648 /nfs/dbraw/zinc/14/26/48/1045142648.db2.gz IAJBWPREZZUGBX-WOJBJXKFSA-N 2 2 323.484 4.236 20 0 DIADLP CCCc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000557539376 1045197215 /nfs/dbraw/zinc/19/72/15/1045197215.db2.gz CMJUCAKEADVIEQ-PXNSSMCTSA-N 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0 DIADLP C[C@@H](Cc1ccccc1)[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000628371964 1045570551 /nfs/dbraw/zinc/57/05/51/1045570551.db2.gz QMWGACSKOZDMMJ-KRWDZBQOSA-N 2 2 323.484 4.030 20 0 DIADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000628371898 1045570882 /nfs/dbraw/zinc/57/08/82/1045570882.db2.gz MXDSYLLUOISQGP-SFHVURJKSA-N 2 2 321.468 4.132 20 0 DIADLP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000628371898 1045570893 /nfs/dbraw/zinc/57/08/93/1045570893.db2.gz MXDSYLLUOISQGP-SFHVURJKSA-N 2 2 321.468 4.132 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000629520344 1045675662 /nfs/dbraw/zinc/67/56/62/1045675662.db2.gz JRMQAYQEIHGKBE-RHSMWYFYSA-N 2 2 304.503 4.122 20 0 DIADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000629526097 1045676875 /nfs/dbraw/zinc/67/68/75/1045676875.db2.gz KNYMSUDTUBLDGR-RYGJVYDSSA-N 2 2 324.468 4.153 20 0 DIADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC000629731280 1045703915 /nfs/dbraw/zinc/70/39/15/1045703915.db2.gz IEXBNTLBNSGCJE-FQEVSTJZSA-N 2 2 321.399 4.162 20 0 DIADLP CC(C)[NH2+]Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000629742231 1045706884 /nfs/dbraw/zinc/70/68/84/1045706884.db2.gz PNODIZBVGQAWGA-UHFFFAOYSA-N 2 2 305.425 4.096 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]C(C)(c2ccccc2)c2ccccc2)CC1 ZINC000630343446 1045751058 /nfs/dbraw/zinc/75/10/58/1045751058.db2.gz OCLFCEZSUHFDAP-UHFFFAOYSA-N 2 2 322.496 4.413 20 0 DIADLP C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000828624938 1045922612 /nfs/dbraw/zinc/92/26/12/1045922612.db2.gz SWGWOHBJELDMCR-IUODEOHRSA-N 2 2 324.255 4.107 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C)c3ccsc31)CCC2 ZINC000453126010 1045947087 /nfs/dbraw/zinc/94/70/87/1045947087.db2.gz UEYPRMYNFFSMLE-DUVNUKRYSA-N 2 2 315.486 4.359 20 0 DIADLP Cc1cccc(C)c1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137852697 1045985688 /nfs/dbraw/zinc/98/56/88/1045985688.db2.gz OLRBOAYPYJKSPG-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1cccc(C)c1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137852697 1045985701 /nfs/dbraw/zinc/98/57/01/1045985701.db2.gz OLRBOAYPYJKSPG-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP FCC[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224957 1045992740 /nfs/dbraw/zinc/99/27/40/1045992740.db2.gz CFWSXZVQWQXOBD-CJNGLKHVSA-N 2 2 321.827 4.144 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902881972 1046100495 /nfs/dbraw/zinc/10/04/95/1046100495.db2.gz NPGJBTDCTCELSW-ZFWWWQNUSA-N 2 2 305.372 4.101 20 0 DIADLP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1c(C)noc1C ZINC000902888079 1046101771 /nfs/dbraw/zinc/10/17/71/1046101771.db2.gz PXNSHLUQARHZKM-FZKQIMNGSA-N 2 2 324.428 4.279 20 0 DIADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532223665 1046118724 /nfs/dbraw/zinc/11/87/24/1046118724.db2.gz RWEYZCUNSZQNCZ-IBGZPJMESA-N 2 2 323.827 4.303 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903283334 1046221272 /nfs/dbraw/zinc/22/12/72/1046221272.db2.gz QMZZRDXDKWGNAE-GOEBONIOSA-N 2 2 315.486 4.197 20 0 DIADLP C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903334961 1046246229 /nfs/dbraw/zinc/24/62/29/1046246229.db2.gz JERZFQCENYLKOL-MGPUTAFESA-N 2 2 318.424 4.069 20 0 DIADLP C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903337012 1046248275 /nfs/dbraw/zinc/24/82/75/1046248275.db2.gz ATFOGDDZCBUYCD-YWZLYKJASA-N 2 2 318.424 4.069 20 0 DIADLP COc1ccc(C(C)C)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000653534694 1046265242 /nfs/dbraw/zinc/26/52/42/1046265242.db2.gz VAPAAUHYKMZBRK-UHFFFAOYSA-N 2 2 318.505 4.123 20 0 DIADLP COc1ccc(C(C)C)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000653534694 1046265256 /nfs/dbraw/zinc/26/52/56/1046265256.db2.gz VAPAAUHYKMZBRK-UHFFFAOYSA-N 2 2 318.505 4.123 20 0 DIADLP C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903429830 1046280098 /nfs/dbraw/zinc/28/00/98/1046280098.db2.gz WYUDKCZOUQJOSB-FOIQADDNSA-N 2 2 318.424 4.069 20 0 DIADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638406356 1046318331 /nfs/dbraw/zinc/31/83/31/1046318331.db2.gz GWMMACOWJJDARO-QUCCMNQESA-N 2 2 310.441 4.046 20 0 DIADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638406356 1046318343 /nfs/dbraw/zinc/31/83/43/1046318343.db2.gz GWMMACOWJJDARO-QUCCMNQESA-N 2 2 310.441 4.046 20 0 DIADLP Cc1occc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638406355 1046320133 /nfs/dbraw/zinc/32/01/33/1046320133.db2.gz GWMMACOWJJDARO-ICSRJNTNSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1occc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638406355 1046320139 /nfs/dbraw/zinc/32/01/39/1046320139.db2.gz GWMMACOWJJDARO-ICSRJNTNSA-N 2 2 310.441 4.046 20 0 DIADLP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908792 1046341094 /nfs/dbraw/zinc/34/10/94/1046341094.db2.gz PTKSDIQELAOOLA-GWCFXTLKSA-N 2 2 324.337 4.071 20 0 DIADLP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908792 1046341101 /nfs/dbraw/zinc/34/11/01/1046341101.db2.gz PTKSDIQELAOOLA-GWCFXTLKSA-N 2 2 324.337 4.071 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001139016721 1046356353 /nfs/dbraw/zinc/35/63/53/1046356353.db2.gz BDHULVMTLBHKRT-UHFFFAOYSA-N 2 2 306.500 4.003 20 0 DIADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C1)CCCC2 ZINC000639343156 1046381763 /nfs/dbraw/zinc/38/17/63/1046381763.db2.gz GCFYUYOWWPRRBL-WIYYLYMNSA-N 2 2 321.468 4.303 20 0 DIADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+](C3CC3)[C@@H](c3ccccc3)C1)CCCC2 ZINC000639343156 1046381779 /nfs/dbraw/zinc/38/17/79/1046381779.db2.gz GCFYUYOWWPRRBL-WIYYLYMNSA-N 2 2 321.468 4.303 20 0 DIADLP Clc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000045106252 1046400609 /nfs/dbraw/zinc/40/06/09/1046400609.db2.gz IPJNYRBJQIJRLH-QGZVFWFLSA-N 2 2 303.837 4.058 20 0 DIADLP c1csc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000045106378 1046400751 /nfs/dbraw/zinc/40/07/51/1046400751.db2.gz RWZUNEPPNIIDEU-KRWDZBQOSA-N 2 2 303.475 4.246 20 0 DIADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001139360917 1046436803 /nfs/dbraw/zinc/43/68/03/1046436803.db2.gz IXAVHXXTSFBXSI-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001139360917 1046436807 /nfs/dbraw/zinc/43/68/07/1046436807.db2.gz IXAVHXXTSFBXSI-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Fc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2ccccc12 ZINC001139889020 1046546793 /nfs/dbraw/zinc/54/67/93/1046546793.db2.gz VQDKJAYPHUDCRO-UHFFFAOYSA-N 2 2 312.432 4.039 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140027912 1046573042 /nfs/dbraw/zinc/57/30/42/1046573042.db2.gz GMKALCBDXFJHCJ-PKOBYXMFSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140027912 1046573057 /nfs/dbraw/zinc/57/30/57/1046573057.db2.gz GMKALCBDXFJHCJ-PKOBYXMFSA-N 2 2 309.457 4.335 20 0 DIADLP c1cn(-c2ccc(C[NH2+]Cc3cc4ccccc4s3)cc2)c[nH+]1 ZINC000236575732 1046587715 /nfs/dbraw/zinc/58/77/15/1046587715.db2.gz VZKUIVBXWYYVHF-UHFFFAOYSA-N 2 2 319.433 4.377 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140173220 1046608154 /nfs/dbraw/zinc/60/81/54/1046608154.db2.gz PWFAELUPLARWHJ-UHFFFAOYSA-N 2 2 323.484 4.055 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140378966 1046677561 /nfs/dbraw/zinc/67/75/61/1046677561.db2.gz HZIBEEGREBMJAS-UHFFFAOYSA-N 2 2 323.484 4.055 20 0 DIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000678997494 1046752652 /nfs/dbraw/zinc/75/26/52/1046752652.db2.gz KZXXMWTWUKIHCF-CZUORRHYSA-N 2 2 310.869 4.066 20 0 DIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(Cl)o3)CC2)C1 ZINC000678997459 1046752914 /nfs/dbraw/zinc/75/29/14/1046752914.db2.gz JIOQJDCQASMKIF-HIFRSBDPSA-N 2 2 310.869 4.066 20 0 DIADLP c1ccc([C@H](CC2CC2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000679046389 1046763326 /nfs/dbraw/zinc/76/33/26/1046763326.db2.gz DXCSNBOEEFBXCA-FQEVSTJZSA-N 2 2 321.468 4.181 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406979 1046788749 /nfs/dbraw/zinc/78/87/49/1046788749.db2.gz UWYIDVXMLNZEJU-GDBMZVCRSA-N 2 2 312.432 4.114 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406979 1046788763 /nfs/dbraw/zinc/78/87/63/1046788763.db2.gz UWYIDVXMLNZEJU-GDBMZVCRSA-N 2 2 312.432 4.114 20 0 DIADLP COC(C)(C)[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000645411219 1046788979 /nfs/dbraw/zinc/78/89/79/1046788979.db2.gz XSLLNHFBPLPSDS-SJORKVTESA-N 2 2 318.505 4.053 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC001140640119 1046828827 /nfs/dbraw/zinc/82/88/27/1046828827.db2.gz ZLUNESOZSYBYGG-INIZCTEOSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC001140640119 1046828836 /nfs/dbraw/zinc/82/88/36/1046828836.db2.gz ZLUNESOZSYBYGG-INIZCTEOSA-N 2 2 324.449 4.258 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3ccncc32)C2CCCC2)CC1 ZINC001140646037 1046833073 /nfs/dbraw/zinc/83/30/73/1046833073.db2.gz SAUDPQVOYNMCMZ-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3ccncc32)C2CCCC2)CC1 ZINC001140646037 1046833096 /nfs/dbraw/zinc/83/30/96/1046833096.db2.gz SAUDPQVOYNMCMZ-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccoc1 ZINC000248177947 1046837109 /nfs/dbraw/zinc/83/71/09/1046837109.db2.gz VWQNLKMBKLMREJ-GRDNDAEWSA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccoc1 ZINC000248177947 1046837125 /nfs/dbraw/zinc/83/71/25/1046837125.db2.gz VWQNLKMBKLMREJ-GRDNDAEWSA-N 2 2 304.459 4.075 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(C(C)(C)C)[nH]2)C2CCCC2)CC1 ZINC001137380594 1046884493 /nfs/dbraw/zinc/88/44/93/1046884493.db2.gz SAUSJNRNOSHETJ-UHFFFAOYSA-N 2 2 317.521 4.151 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(C(C)(C)C)[nH]2)C2CCCC2)CC1 ZINC001137380594 1046884501 /nfs/dbraw/zinc/88/45/01/1046884501.db2.gz SAUSJNRNOSHETJ-UHFFFAOYSA-N 2 2 317.521 4.151 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000679723620 1046893863 /nfs/dbraw/zinc/89/38/63/1046893863.db2.gz OUYHDXGKTXAEMZ-DVOMOZLQSA-N 2 2 321.534 4.064 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000679723620 1046893878 /nfs/dbraw/zinc/89/38/78/1046893878.db2.gz OUYHDXGKTXAEMZ-DVOMOZLQSA-N 2 2 321.534 4.064 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1C ZINC000679720992 1046894949 /nfs/dbraw/zinc/89/49/49/1046894949.db2.gz GNIXBRXBLSUJLD-FPAYPSAMSA-N 2 2 311.473 4.118 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H](C)C1 ZINC000680342241 1046967898 /nfs/dbraw/zinc/96/78/98/1046967898.db2.gz NHGVBOBJNQJCBI-FPAYPSAMSA-N 2 2 311.473 4.118 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1cccs1 ZINC001141097264 1047014301 /nfs/dbraw/zinc/01/43/01/1047014301.db2.gz FKTQZHMXRFFHMF-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1cccs1 ZINC001141097264 1047014310 /nfs/dbraw/zinc/01/43/10/1047014310.db2.gz FKTQZHMXRFFHMF-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C(C)(C)Cc1ccccc1 ZINC001141244432 1047061571 /nfs/dbraw/zinc/06/15/71/1047061571.db2.gz NHUSZLKKFHBDQH-UHFFFAOYSA-N 2 2 319.452 4.325 20 0 DIADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C(C)(C)Cc1ccccc1 ZINC001141244432 1047061586 /nfs/dbraw/zinc/06/15/86/1047061586.db2.gz NHUSZLKKFHBDQH-UHFFFAOYSA-N 2 2 319.452 4.325 20 0 DIADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1Cl ZINC001141241418 1047061710 /nfs/dbraw/zinc/06/17/10/1047061710.db2.gz HROPONYFLOSVSO-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1Cl ZINC001141241418 1047061725 /nfs/dbraw/zinc/06/17/25/1047061725.db2.gz HROPONYFLOSVSO-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC001141237704 1047062437 /nfs/dbraw/zinc/06/24/37/1047062437.db2.gz WUDPZYSSNCBGKG-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC001141237704 1047062448 /nfs/dbraw/zinc/06/24/48/1047062448.db2.gz WUDPZYSSNCBGKG-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242928 1047062610 /nfs/dbraw/zinc/06/26/10/1047062610.db2.gz ONJLJCISOGIIGQ-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242928 1047062625 /nfs/dbraw/zinc/06/26/25/1047062625.db2.gz ONJLJCISOGIIGQ-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1F ZINC001141244984 1047063697 /nfs/dbraw/zinc/06/36/97/1047063697.db2.gz ZGXOLBJARJYCSS-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1F ZINC001141244984 1047063710 /nfs/dbraw/zinc/06/37/10/1047063710.db2.gz ZGXOLBJARJYCSS-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000379641195 1047094751 /nfs/dbraw/zinc/09/47/51/1047094751.db2.gz CVZDRXYUYSPNIM-NVXWUHKLSA-N 2 2 300.446 4.149 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000379641195 1047094763 /nfs/dbraw/zinc/09/47/63/1047094763.db2.gz CVZDRXYUYSPNIM-NVXWUHKLSA-N 2 2 300.446 4.149 20 0 DIADLP CC[N@H+](Cc1cccc(-c2ccsc2)c1)C1CC[NH+](C)CC1 ZINC001141384633 1047113765 /nfs/dbraw/zinc/11/37/65/1047113765.db2.gz RHFJHSHPUPXULR-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@@H+](Cc1cccc(-c2ccsc2)c1)C1CC[NH+](C)CC1 ZINC001141384633 1047113776 /nfs/dbraw/zinc/11/37/76/1047113776.db2.gz RHFJHSHPUPXULR-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[NH+](CC)c1ccc(Nc2cc(C)nn2-c2cc[nH+]cc2)cc1 ZINC001212968940 1047116476 /nfs/dbraw/zinc/11/64/76/1047116476.db2.gz COAAFIBHSTUTGP-UHFFFAOYSA-N 2 2 321.428 4.166 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682406164 1047192440 /nfs/dbraw/zinc/19/24/40/1047192440.db2.gz HAORTBZRGMWUEL-IHPCNDPISA-N 2 2 323.484 4.286 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccccc1 ZINC000682732157 1047217581 /nfs/dbraw/zinc/21/75/81/1047217581.db2.gz FUHHIJBHCLAPFB-MSOLQXFVSA-N 2 2 309.457 4.016 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1Cl ZINC000385952173 1047276198 /nfs/dbraw/zinc/27/61/98/1047276198.db2.gz FMUCJEIEFDBVPB-MLGOLLRUSA-N 2 2 323.843 4.441 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)CCC2 ZINC000390209766 1047294635 /nfs/dbraw/zinc/29/46/35/1047294635.db2.gz DHYBUWCKDQTDDB-DNVCBOLYSA-N 2 2 311.473 4.137 20 0 DIADLP CCC[C@](C)([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000897926319 1047302720 /nfs/dbraw/zinc/30/27/20/1047302720.db2.gz URVDCCBGIHUHNI-SFHVURJKSA-N 2 2 317.502 4.010 20 0 DIADLP c1cn(-c2ccc(C[N@@H+](CCc3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000725797241 1047316958 /nfs/dbraw/zinc/31/69/58/1047316958.db2.gz GYGCGYIJOSBEAL-UHFFFAOYSA-N 2 2 317.436 4.079 20 0 DIADLP c1cn(-c2ccc(C[N@H+](CCc3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000725797241 1047316977 /nfs/dbraw/zinc/31/69/77/1047316977.db2.gz GYGCGYIJOSBEAL-UHFFFAOYSA-N 2 2 317.436 4.079 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000045106292 1047359358 /nfs/dbraw/zinc/35/93/58/1047359358.db2.gz QASOSOHYNBBTPC-OAHLLOKOSA-N 2 2 321.877 4.143 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000841037392 1047374081 /nfs/dbraw/zinc/37/40/81/1047374081.db2.gz PIDXRBVSDJYEQY-FQEVSTJZSA-N 2 2 319.452 4.148 20 0 DIADLP FC(F)(F)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000084137597 1047415464 /nfs/dbraw/zinc/41/54/64/1047415464.db2.gz NINDMNLEYQIHRC-UHFFFAOYSA-N 2 2 323.362 4.037 20 0 DIADLP FC(F)(F)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000084137597 1047415472 /nfs/dbraw/zinc/41/54/72/1047415472.db2.gz NINDMNLEYQIHRC-UHFFFAOYSA-N 2 2 323.362 4.037 20 0 DIADLP CCCc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001142367236 1047435960 /nfs/dbraw/zinc/43/59/60/1047435960.db2.gz JJGJTNLDXVYELO-UHFFFAOYSA-N 2 2 314.517 4.478 20 0 DIADLP CCCc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001142367236 1047435966 /nfs/dbraw/zinc/43/59/66/1047435966.db2.gz JJGJTNLDXVYELO-UHFFFAOYSA-N 2 2 314.517 4.478 20 0 DIADLP CCCc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001142364082 1047436261 /nfs/dbraw/zinc/43/62/61/1047436261.db2.gz CUBGPQRFIOFSRU-UHFFFAOYSA-N 2 2 318.480 4.037 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000841745572 1047448293 /nfs/dbraw/zinc/44/82/93/1047448293.db2.gz QGWBUKYKPKPREW-DLTWYDFYSA-N 2 2 317.502 4.141 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119526724 1047458570 /nfs/dbraw/zinc/45/85/70/1047458570.db2.gz VBPQYMDQFXVTST-HKUYNNGSSA-N 2 2 317.521 4.098 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119526724 1047458573 /nfs/dbraw/zinc/45/85/73/1047458573.db2.gz VBPQYMDQFXVTST-HKUYNNGSSA-N 2 2 317.521 4.098 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)oc2cc1C ZINC000119657596 1047467279 /nfs/dbraw/zinc/46/72/79/1047467279.db2.gz ZKOVKTIKDPXPOP-HNNXBMFYSA-N 2 2 312.457 4.327 20 0 DIADLP Cc1cc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)ccc1F ZINC000538116583 1047657746 /nfs/dbraw/zinc/65/77/46/1047657746.db2.gz MWTFVEMBQDHAPG-IBGZPJMESA-N 2 2 313.420 4.072 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000538712524 1047698269 /nfs/dbraw/zinc/69/82/69/1047698269.db2.gz PSAWBKZVMPEDJM-DZFGPLHGSA-N 2 2 308.469 4.157 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000538712524 1047698271 /nfs/dbraw/zinc/69/82/71/1047698271.db2.gz PSAWBKZVMPEDJM-DZFGPLHGSA-N 2 2 308.469 4.157 20 0 DIADLP C[NH+](C)Cc1cccc(CNc2cc(-c3ccccc3)cc[nH+]2)c1 ZINC001156044601 1047698333 /nfs/dbraw/zinc/69/83/33/1047698333.db2.gz QTUFEDWMPHIGNZ-UHFFFAOYSA-N 2 2 317.436 4.422 20 0 DIADLP Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC001159392385 1047839654 /nfs/dbraw/zinc/83/96/54/1047839654.db2.gz YWLCVSKBVMSRTP-DAXOMENPSA-N 2 2 310.445 4.068 20 0 DIADLP Cc1ccc2oc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000553381409 1047845893 /nfs/dbraw/zinc/84/58/93/1047845893.db2.gz VKMLUHFUHGVRLC-UHFFFAOYSA-N 2 2 317.392 4.217 20 0 DIADLP c1cn(-c2cccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)c2)c[nH+]1 ZINC001159461205 1047851029 /nfs/dbraw/zinc/85/10/29/1047851029.db2.gz NZDNJTPBDOIWPE-LJQANCHMSA-N 2 2 304.397 4.040 20 0 DIADLP C[C@H](CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC001182918505 1047866039 /nfs/dbraw/zinc/86/60/39/1047866039.db2.gz OVEHLXKRSIANQU-YLJYHZDGSA-N 2 2 300.490 4.177 20 0 DIADLP C[C@H](CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001182918505 1047866052 /nfs/dbraw/zinc/86/60/52/1047866052.db2.gz OVEHLXKRSIANQU-YLJYHZDGSA-N 2 2 300.490 4.177 20 0 DIADLP CC(C)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000479426703 1047891606 /nfs/dbraw/zinc/89/16/06/1047891606.db2.gz VPANZGXZGBKCAZ-UHFFFAOYSA-N 2 2 305.425 4.286 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC001183238755 1047905302 /nfs/dbraw/zinc/90/53/02/1047905302.db2.gz OEXCRGXDLAVZKN-ZVDOUQERSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC001183238755 1047905311 /nfs/dbraw/zinc/90/53/11/1047905311.db2.gz OEXCRGXDLAVZKN-ZVDOUQERSA-N 2 2 312.501 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183226337 1047906114 /nfs/dbraw/zinc/90/61/14/1047906114.db2.gz GTFKYKNGOSGMGG-UYAOXDASSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001183226337 1047906121 /nfs/dbraw/zinc/90/61/21/1047906121.db2.gz GTFKYKNGOSGMGG-UYAOXDASSA-N 2 2 300.490 4.004 20 0 DIADLP [NH3+]C1(c2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2)CCC1 ZINC001159721446 1047908508 /nfs/dbraw/zinc/90/85/08/1047908508.db2.gz KYNOSAZHIMKYLX-UHFFFAOYSA-N 2 2 322.456 4.153 20 0 DIADLP Cc1ccc2c(Nc3ccc([C@H]4CC[NH2+]C4)cc3)cccc2[nH+]1 ZINC001159775990 1047921508 /nfs/dbraw/zinc/92/15/08/1047921508.db2.gz BNAYKFHAUPJDKN-INIZCTEOSA-N 2 2 303.409 4.364 20 0 DIADLP COc1ccc2c(c1)[nH+]c(NCC[C@@H](C)[NH3+])cc2-c1ccccc1 ZINC001159778268 1047923801 /nfs/dbraw/zinc/92/38/01/1047923801.db2.gz LFRHSGHSIGCUMW-CQSZACIVSA-N 2 2 321.424 4.060 20 0 DIADLP CCCc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000479532544 1047925244 /nfs/dbraw/zinc/92/52/44/1047925244.db2.gz XTXAMHRYBJXTRB-UHFFFAOYSA-N 2 2 305.425 4.115 20 0 DIADLP Cc1cc(Oc2ccc(NC=CC3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001159813462 1047928058 /nfs/dbraw/zinc/92/80/58/1047928058.db2.gz KYAVWCXPYIEGHI-XYOKQWHBSA-N 2 2 309.413 4.108 20 0 DIADLP CC(C)CC[C@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001183526041 1047934380 /nfs/dbraw/zinc/93/43/80/1047934380.db2.gz KBRABPQVQKZQQT-PXNSSMCTSA-N 2 2 315.505 4.208 20 0 DIADLP CC(C)CC[C@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001183526041 1047934386 /nfs/dbraw/zinc/93/43/86/1047934386.db2.gz KBRABPQVQKZQQT-PXNSSMCTSA-N 2 2 315.505 4.208 20 0 DIADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]c1C ZINC001183525861 1047934669 /nfs/dbraw/zinc/93/46/69/1047934669.db2.gz INLKUWYUNFDNDZ-APWZRJJASA-N 2 2 309.457 4.163 20 0 DIADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]c1C ZINC001183525861 1047934681 /nfs/dbraw/zinc/93/46/81/1047934681.db2.gz INLKUWYUNFDNDZ-APWZRJJASA-N 2 2 309.457 4.163 20 0 DIADLP CC(C)CC[C@@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001183526043 1047935004 /nfs/dbraw/zinc/93/50/04/1047935004.db2.gz KBRABPQVQKZQQT-XLIONFOSSA-N 2 2 315.505 4.208 20 0 DIADLP CC(C)CC[C@@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001183526043 1047935011 /nfs/dbraw/zinc/93/50/11/1047935011.db2.gz KBRABPQVQKZQQT-XLIONFOSSA-N 2 2 315.505 4.208 20 0 DIADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(C(C)C)[nH+]c(C)n3)c2c1 ZINC001160004226 1047964985 /nfs/dbraw/zinc/96/49/85/1047964985.db2.gz MANTYUDPUPXLKW-CQSZACIVSA-N 2 2 322.456 4.050 20 0 DIADLP Cc1cc(Nc2ccccc2C2=CC[NH2+]CC2)ccc1[NH+](C)C ZINC001160023901 1047973203 /nfs/dbraw/zinc/97/32/03/1047973203.db2.gz WJOWOTYYDNCSTP-UHFFFAOYSA-N 2 2 307.441 4.181 20 0 DIADLP c1cn(CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)c[nH+]1 ZINC000479851985 1047982764 /nfs/dbraw/zinc/98/27/64/1047982764.db2.gz PFDSABMUAJUBFW-INIZCTEOSA-N 2 2 311.454 4.155 20 0 DIADLP Fc1c(C[NH+]2CCCCC2)cccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001160224553 1048002828 /nfs/dbraw/zinc/00/28/28/1048002828.db2.gz SRDCJPSPQVWCOZ-UHFFFAOYSA-N 2 2 324.403 4.432 20 0 DIADLP Clc1cccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)s2)c1 ZINC000073649750 1048105333 /nfs/dbraw/zinc/10/53/33/1048105333.db2.gz CVDJXUNMBCKXKG-UHFFFAOYSA-N 2 2 317.845 4.055 20 0 DIADLP C[NH+]1CCC(c2ccc(Nc3cccc4[nH+]c[nH]c43)cc2)CC1 ZINC001213030722 1048112246 /nfs/dbraw/zinc/11/22/46/1048112246.db2.gz OCRDBSVVWBCRDJ-UHFFFAOYSA-N 2 2 306.413 4.116 20 0 DIADLP CCC1([NH+](C)C)CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC001175118560 1048150680 /nfs/dbraw/zinc/15/06/80/1048150680.db2.gz AYTQMWIXMKQHQI-WAYWQWQTSA-N 2 2 306.881 4.159 20 0 DIADLP CC(C)(C)CN(c1cccc(C2CC2)[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161680379 1048152575 /nfs/dbraw/zinc/15/25/75/1048152575.db2.gz CKHHEDVEBHTIGX-WKILWMFISA-N 2 2 301.478 4.081 20 0 DIADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1Cl ZINC001250206450 1048213674 /nfs/dbraw/zinc/21/36/74/1048213674.db2.gz JUMYFESUPPZSPN-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1Cl ZINC001250206450 1048213691 /nfs/dbraw/zinc/21/36/91/1048213691.db2.gz JUMYFESUPPZSPN-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000480772232 1048241320 /nfs/dbraw/zinc/24/13/20/1048241320.db2.gz TVYRPDQXESXNMN-IAGOWNOFSA-N 2 2 315.461 4.191 20 0 DIADLP CC(C)c1cc(NC[C@H](C)C[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC001162216388 1048244205 /nfs/dbraw/zinc/24/42/05/1048244205.db2.gz SNMPSQIMEMIPIG-INIZCTEOSA-N 2 2 318.509 4.257 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2CCCCC2)CC1 ZINC001201401233 1048249850 /nfs/dbraw/zinc/24/98/50/1048249850.db2.gz CRTRKWKRRFSWPC-UHFFFAOYSA-N 2 2 318.480 4.302 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2CCCCC2)CC1 ZINC001201401233 1048249863 /nfs/dbraw/zinc/24/98/63/1048249863.db2.gz CRTRKWKRRFSWPC-UHFFFAOYSA-N 2 2 318.480 4.302 20 0 DIADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000480802605 1048249800 /nfs/dbraw/zinc/24/98/00/1048249800.db2.gz HESGXBQZMHXRKV-VQTJNVASSA-N 2 2 311.473 4.236 20 0 DIADLP CC(=O)Nc1c(C)cc[nH+]c1NCC[PH+](C(C)C)C(C)C ZINC001162361838 1048268576 /nfs/dbraw/zinc/26/85/76/1048268576.db2.gz HFKYELIFCBUQLD-UHFFFAOYSA-N 2 2 309.394 4.059 20 0 DIADLP CC(C)=CCC[C@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201488089 1048280327 /nfs/dbraw/zinc/28/03/27/1048280327.db2.gz WYWDNYJRIKAQFT-KRWDZBQOSA-N 2 2 302.462 4.307 20 0 DIADLP Cc1ccc(-c2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001162452705 1048283288 /nfs/dbraw/zinc/28/32/88/1048283288.db2.gz GWRXSVOSEAIBMH-QFBILLFUSA-N 2 2 309.457 4.105 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cccc(F)c2)c(C)c1 ZINC001201600501 1048330621 /nfs/dbraw/zinc/33/06/21/1048330621.db2.gz KZKWXZDPFMOPSK-HXUWFJFHSA-N 2 2 323.415 4.170 20 0 DIADLP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(F)c1F ZINC001143610446 1048425708 /nfs/dbraw/zinc/42/57/08/1048425708.db2.gz YEAWFOCVIIOMAE-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(F)c1F ZINC001143610446 1048425716 /nfs/dbraw/zinc/42/57/16/1048425716.db2.gz YEAWFOCVIIOMAE-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1F ZINC001143610446 1048425724 /nfs/dbraw/zinc/42/57/24/1048425724.db2.gz YEAWFOCVIIOMAE-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1F ZINC001143610446 1048425729 /nfs/dbraw/zinc/42/57/29/1048425729.db2.gz YEAWFOCVIIOMAE-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163234979 1048443075 /nfs/dbraw/zinc/44/30/75/1048443075.db2.gz ADPVWRIKQXPEOM-KRWDZBQOSA-N 2 2 315.486 4.159 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000482246902 1048577394 /nfs/dbraw/zinc/57/73/94/1048577394.db2.gz UPNMMIHYRAVNBX-CQSZACIVSA-N 2 2 303.837 4.278 20 0 DIADLP CC[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000107717398 1048590964 /nfs/dbraw/zinc/59/09/64/1048590964.db2.gz RLFAABWQIUXAHW-HXUWFJFHSA-N 2 2 305.425 4.287 20 0 DIADLP Cc1[nH]c(C2CC[NH+](Cc3ccsc3Cl)CC2)[nH+]c1C ZINC001176201109 1048601809 /nfs/dbraw/zinc/60/18/09/1048601809.db2.gz FEBIJHURPQLVKV-UHFFFAOYSA-N 2 2 309.866 4.121 20 0 DIADLP C[NH+](C)Cc1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC001176288986 1048620589 /nfs/dbraw/zinc/62/05/89/1048620589.db2.gz CPZILKQXWOJWRD-UHFFFAOYSA-N 2 2 311.816 4.115 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000775375533 1048721851 /nfs/dbraw/zinc/72/18/51/1048721851.db2.gz KIRUCQFVBBMXIF-ZWKOTPCHSA-N 2 2 315.436 4.104 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000483143594 1048746495 /nfs/dbraw/zinc/74/64/95/1048746495.db2.gz LGCGARBEKVCDEZ-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP CCC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CCCCC1 ZINC000483446001 1048797710 /nfs/dbraw/zinc/79/77/10/1048797710.db2.gz HGVBXTGYCZFIOZ-QZTJIDSGSA-N 2 2 303.494 4.408 20 0 DIADLP c1ccc(NC2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)[nH+]c1 ZINC000851880671 1048807414 /nfs/dbraw/zinc/80/74/14/1048807414.db2.gz SFKHYZHDXGNYSX-UHFFFAOYSA-N 2 2 307.441 4.036 20 0 DIADLP Cc1c[nH+]c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2[nH]ccc21 ZINC001166889579 1048808039 /nfs/dbraw/zinc/80/80/39/1048808039.db2.gz RPMBTMKCTRCIFI-SFHVURJKSA-N 2 2 320.440 4.120 20 0 DIADLP Cc1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001177170610 1048835669 /nfs/dbraw/zinc/83/56/69/1048835669.db2.gz AFFMCZDVTBOGMZ-FQEVSTJZSA-N 2 2 308.469 4.138 20 0 DIADLP Cc1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001177170610 1048835691 /nfs/dbraw/zinc/83/56/91/1048835691.db2.gz AFFMCZDVTBOGMZ-FQEVSTJZSA-N 2 2 308.469 4.138 20 0 DIADLP Cc1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001177170611 1048836365 /nfs/dbraw/zinc/83/63/65/1048836365.db2.gz AFFMCZDVTBOGMZ-HXUWFJFHSA-N 2 2 308.469 4.138 20 0 DIADLP Cc1cccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001177170611 1048836380 /nfs/dbraw/zinc/83/63/80/1048836380.db2.gz AFFMCZDVTBOGMZ-HXUWFJFHSA-N 2 2 308.469 4.138 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001203160943 1048841741 /nfs/dbraw/zinc/84/17/41/1048841741.db2.gz IDOQRCKNJKNJSZ-LJQANCHMSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001203160943 1048841767 /nfs/dbraw/zinc/84/17/67/1048841767.db2.gz IDOQRCKNJKNJSZ-LJQANCHMSA-N 2 2 314.860 4.191 20 0 DIADLP CCc1[nH]c(C[N@@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)c(C)[nH+]1 ZINC001203247314 1048852323 /nfs/dbraw/zinc/85/23/23/1048852323.db2.gz BHBUZNMOOCFRQV-LBPRGKRZSA-N 2 2 317.864 4.096 20 0 DIADLP CCc1[nH]c(C[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)c(C)[nH+]1 ZINC001203247314 1048852351 /nfs/dbraw/zinc/85/23/51/1048852351.db2.gz BHBUZNMOOCFRQV-LBPRGKRZSA-N 2 2 317.864 4.096 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)oc2cc1C ZINC000483748140 1048854662 /nfs/dbraw/zinc/85/46/62/1048854662.db2.gz WSVIZQJLOBQEOE-ZOBUZTSGSA-N 2 2 300.446 4.183 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)oc2cc1C ZINC000483748140 1048854677 /nfs/dbraw/zinc/85/46/77/1048854677.db2.gz WSVIZQJLOBQEOE-ZOBUZTSGSA-N 2 2 300.446 4.183 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)oc2cc1C ZINC000483748138 1048856610 /nfs/dbraw/zinc/85/66/10/1048856610.db2.gz WSVIZQJLOBQEOE-YQQAZPJKSA-N 2 2 300.446 4.183 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)oc2cc1C ZINC000483748138 1048856626 /nfs/dbraw/zinc/85/66/26/1048856626.db2.gz WSVIZQJLOBQEOE-YQQAZPJKSA-N 2 2 300.446 4.183 20 0 DIADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)C1 ZINC001177262001 1048861021 /nfs/dbraw/zinc/86/10/21/1048861021.db2.gz NDCBLUQFONOXRH-ZFMNYDKASA-N 2 2 314.517 4.280 20 0 DIADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)C1 ZINC001177262001 1048861037 /nfs/dbraw/zinc/86/10/37/1048861037.db2.gz NDCBLUQFONOXRH-ZFMNYDKASA-N 2 2 314.517 4.280 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001203328554 1048870834 /nfs/dbraw/zinc/87/08/34/1048870834.db2.gz UQQZWBLOIZBXCC-IRUYWQDXSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001203328554 1048870842 /nfs/dbraw/zinc/87/08/42/1048870842.db2.gz UQQZWBLOIZBXCC-IRUYWQDXSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001203328553 1048870958 /nfs/dbraw/zinc/87/09/58/1048870958.db2.gz UQQZWBLOIZBXCC-BXKJMJEDSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001203328553 1048870973 /nfs/dbraw/zinc/87/09/73/1048870973.db2.gz UQQZWBLOIZBXCC-BXKJMJEDSA-N 2 2 312.501 4.232 20 0 DIADLP CC1(C)CCC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001203471395 1048909670 /nfs/dbraw/zinc/90/96/70/1048909670.db2.gz OECGDLFKKMGBGK-MJGOQNOKSA-N 2 2 311.473 4.430 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C(C)C)ccc2OC)CC1 ZINC001191415762 1048939976 /nfs/dbraw/zinc/93/99/76/1048939976.db2.gz AEMOPYYBZICYJG-UHFFFAOYSA-N 2 2 318.505 4.125 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C(C)C)ccc2OC)CC1 ZINC001191415762 1048939983 /nfs/dbraw/zinc/93/99/83/1048939983.db2.gz AEMOPYYBZICYJG-UHFFFAOYSA-N 2 2 318.505 4.125 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001177821879 1048943164 /nfs/dbraw/zinc/94/31/64/1048943164.db2.gz FJWAZOMFVVUFCD-GFOJFJKKSA-N 2 2 314.517 4.423 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001177821879 1048943170 /nfs/dbraw/zinc/94/31/70/1048943170.db2.gz FJWAZOMFVVUFCD-GFOJFJKKSA-N 2 2 314.517 4.423 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001177821880 1048943852 /nfs/dbraw/zinc/94/38/52/1048943852.db2.gz FJWAZOMFVVUFCD-MJUUVYJYSA-N 2 2 314.517 4.423 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001177821880 1048943865 /nfs/dbraw/zinc/94/38/65/1048943865.db2.gz FJWAZOMFVVUFCD-MJUUVYJYSA-N 2 2 314.517 4.423 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC001191476561 1048950129 /nfs/dbraw/zinc/95/01/29/1048950129.db2.gz RULZVDWLLATXDA-QGZVFWFLSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccccc2[C@H]1C ZINC001191476561 1048950140 /nfs/dbraw/zinc/95/01/40/1048950140.db2.gz RULZVDWLLATXDA-QGZVFWFLSA-N 2 2 317.436 4.300 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC001178249379 1049001075 /nfs/dbraw/zinc/00/10/75/1049001075.db2.gz OHSFCJIFWMJKSR-AOIWGVFYSA-N 2 2 315.505 4.023 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000078303339 1049012648 /nfs/dbraw/zinc/01/26/48/1049012648.db2.gz HZBBSBJERXIFBT-HXUWFJFHSA-N 2 2 303.409 4.113 20 0 DIADLP CCCCOc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001203971548 1049049210 /nfs/dbraw/zinc/04/92/10/1049049210.db2.gz BCSBGXALVKEWDF-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001203971548 1049049221 /nfs/dbraw/zinc/04/92/21/1049049221.db2.gz BCSBGXALVKEWDF-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC001203987668 1049050837 /nfs/dbraw/zinc/05/08/37/1049050837.db2.gz AMZWSKSOIDPDJX-LJQANCHMSA-N 2 2 318.420 4.197 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001203987668 1049050865 /nfs/dbraw/zinc/05/08/65/1049050865.db2.gz AMZWSKSOIDPDJX-LJQANCHMSA-N 2 2 318.420 4.197 20 0 DIADLP C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557188 1049062069 /nfs/dbraw/zinc/06/20/69/1049062069.db2.gz NGEKVKNAZIYSFH-NEWSRXKRSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557188 1049062084 /nfs/dbraw/zinc/06/20/84/1049062084.db2.gz NGEKVKNAZIYSFH-NEWSRXKRSA-N 2 2 300.490 4.065 20 0 DIADLP Cc1cn2c(cccc2Nc2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC001204088140 1049081261 /nfs/dbraw/zinc/08/12/61/1049081261.db2.gz XERQITVXPUHKGL-UHFFFAOYSA-N 2 2 320.440 4.372 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC001204111272 1049085931 /nfs/dbraw/zinc/08/59/31/1049085931.db2.gz SGRFBGLDAKLEBQ-LBPRGKRZSA-N 2 2 303.277 4.203 20 0 DIADLP Cn1c[nH+]c2cc(Nc3cccc(C[NH+]4CCCCC4)c3)ccc21 ZINC001204119156 1049088247 /nfs/dbraw/zinc/08/82/47/1049088247.db2.gz YTIHBSUAVQNOBX-UHFFFAOYSA-N 2 2 320.440 4.303 20 0 DIADLP CCc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001204177241 1049105206 /nfs/dbraw/zinc/10/52/06/1049105206.db2.gz NIMXIHYGSLADAO-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP CCc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001204177241 1049105211 /nfs/dbraw/zinc/10/52/11/1049105211.db2.gz NIMXIHYGSLADAO-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC001178913153 1049108998 /nfs/dbraw/zinc/10/89/98/1049108998.db2.gz BXMVIDHEYHAHIL-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC000078542623 1049109789 /nfs/dbraw/zinc/10/97/89/1049109789.db2.gz YAJGAJOITKCURE-CQSZACIVSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001192583901 1049118486 /nfs/dbraw/zinc/11/84/86/1049118486.db2.gz COQZKURSIGMEHU-KRWDZBQOSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001192583901 1049118489 /nfs/dbraw/zinc/11/84/89/1049118489.db2.gz COQZKURSIGMEHU-KRWDZBQOSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCC[C@H](C)C1 ZINC001192793118 1049138226 /nfs/dbraw/zinc/13/82/26/1049138226.db2.gz WRYVGEUGGGNCLY-XKGZKEIXSA-N 2 2 311.473 4.349 20 0 DIADLP C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)[NH+](C)C ZINC001179266887 1049151357 /nfs/dbraw/zinc/15/13/57/1049151357.db2.gz YNALHBHCCRJKNF-AWEZNQCLSA-N 2 2 324.896 4.091 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2CCCCC2)CC1 ZINC001203359499 1049169317 /nfs/dbraw/zinc/16/93/17/1049169317.db2.gz AEZVWZZUHGGUOT-UHFFFAOYSA-N 2 2 304.453 4.055 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2CCCCC2)CC1 ZINC001203359499 1049169325 /nfs/dbraw/zinc/16/93/25/1049169325.db2.gz AEZVWZZUHGGUOT-UHFFFAOYSA-N 2 2 304.453 4.055 20 0 DIADLP CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001204683298 1049224250 /nfs/dbraw/zinc/22/42/50/1049224250.db2.gz ARJNDYBZTANPNB-UHFFFAOYSA-N 2 2 324.472 4.314 20 0 DIADLP CCN(C)c1ccc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c[nH+]1 ZINC001204683377 1049224454 /nfs/dbraw/zinc/22/44/54/1049224454.db2.gz FCVBTBGFQPHIPJ-UHFFFAOYSA-N 2 2 312.461 4.169 20 0 DIADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cc(C)ccc1C ZINC000858295634 1049237865 /nfs/dbraw/zinc/23/78/65/1049237865.db2.gz HAOMSHFKIOVKCR-QGZVFWFLSA-N 2 2 317.502 4.062 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCCC[C@@H]3C[NH3+])ccc21 ZINC001204925001 1049311931 /nfs/dbraw/zinc/31/19/31/1049311931.db2.gz IKRJTVWHDALCRP-QGZVFWFLSA-N 2 2 321.468 4.128 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCCC[C@@H]3C[NH3+])ccc21 ZINC001204925001 1049311944 /nfs/dbraw/zinc/31/19/44/1049311944.db2.gz IKRJTVWHDALCRP-QGZVFWFLSA-N 2 2 321.468 4.128 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001204946838 1049320470 /nfs/dbraw/zinc/32/04/70/1049320470.db2.gz TWKQAAIEEYGPHH-IBGZPJMESA-N 2 2 310.466 4.368 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001204946838 1049320478 /nfs/dbraw/zinc/32/04/78/1049320478.db2.gz TWKQAAIEEYGPHH-IBGZPJMESA-N 2 2 310.466 4.368 20 0 DIADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc(C)c1Cl ZINC001205058725 1049357829 /nfs/dbraw/zinc/35/78/29/1049357829.db2.gz KVZJMNLOZGCCHZ-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc(C)c1Cl ZINC001205058725 1049357841 /nfs/dbraw/zinc/35/78/41/1049357841.db2.gz KVZJMNLOZGCCHZ-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001181115433 1049441660 /nfs/dbraw/zinc/44/16/60/1049441660.db2.gz YATHVDPVKWTGCR-OXJNMPFZSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001181115433 1049441669 /nfs/dbraw/zinc/44/16/69/1049441669.db2.gz YATHVDPVKWTGCR-OXJNMPFZSA-N 2 2 300.490 4.065 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CCCC12CCC2 ZINC001181196321 1049452195 /nfs/dbraw/zinc/45/21/95/1049452195.db2.gz LVSHEJSKSCCJJE-SFHVURJKSA-N 2 2 304.522 4.345 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2[nH]1 ZINC000775622244 1049455893 /nfs/dbraw/zinc/45/58/93/1049455893.db2.gz SGWFIXAVGCZZCJ-KBXCAEBGSA-N 2 2 310.445 4.130 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001181436326 1049481908 /nfs/dbraw/zinc/48/19/08/1049481908.db2.gz PHZFQWBSEIFLRH-WOJBJXKFSA-N 2 2 316.533 4.498 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001181436326 1049481914 /nfs/dbraw/zinc/48/19/14/1049481914.db2.gz PHZFQWBSEIFLRH-WOJBJXKFSA-N 2 2 316.533 4.498 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(F)c1Cl ZINC001168372390 1049524451 /nfs/dbraw/zinc/52/44/51/1049524451.db2.gz WHBDRKINRVWAJE-GFCCVEGCSA-N 2 2 310.844 4.004 20 0 DIADLP Cc1ccc(F)c(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001205670181 1049529192 /nfs/dbraw/zinc/52/91/92/1049529192.db2.gz LBCPEYJMVPRDQB-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP Cc1ccc(F)c(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001205670181 1049529210 /nfs/dbraw/zinc/52/92/10/1049529210.db2.gz LBCPEYJMVPRDQB-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)C ZINC001182033269 1049561090 /nfs/dbraw/zinc/56/10/90/1049561090.db2.gz PTLBWKJIWNZFBP-ZDUSSCGKSA-N 2 2 305.853 4.298 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001182031162 1049561256 /nfs/dbraw/zinc/56/12/56/1049561256.db2.gz GRWSWMVQNWBFAA-ZDUSSCGKSA-N 2 2 303.837 4.194 20 0 DIADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[NH+](CC)CC)cc1 ZINC001182109709 1049570669 /nfs/dbraw/zinc/57/06/69/1049570669.db2.gz REQHBSUMUFPARG-PLACYPQZSA-N 2 2 314.517 4.410 20 0 DIADLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC001205813317 1049571449 /nfs/dbraw/zinc/57/14/49/1049571449.db2.gz SJPPJZLWMWLDKB-QGZVFWFLSA-N 2 2 314.860 4.102 20 0 DIADLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC001205813317 1049571459 /nfs/dbraw/zinc/57/14/59/1049571459.db2.gz SJPPJZLWMWLDKB-QGZVFWFLSA-N 2 2 314.860 4.102 20 0 DIADLP C[C@@H]1C[C@@H](c2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2)C[NH2+]1 ZINC000863690158 1049588785 /nfs/dbraw/zinc/58/87/85/1049588785.db2.gz LWPNCIALXCBFCN-IIBYNOLFSA-N 2 2 317.436 4.064 20 0 DIADLP CCCC[N@H+](Cc1ncc(C)s1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545120 1049670156 /nfs/dbraw/zinc/67/01/56/1049670156.db2.gz LOBPGUSDXQUGRL-UHFFFAOYSA-N 2 2 323.550 4.363 20 0 DIADLP CCCC[N@@H+](Cc1ncc(C)s1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545120 1049670169 /nfs/dbraw/zinc/67/01/69/1049670169.db2.gz LOBPGUSDXQUGRL-UHFFFAOYSA-N 2 2 323.550 4.363 20 0 DIADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001206257396 1049691261 /nfs/dbraw/zinc/69/12/61/1049691261.db2.gz CTJFSDYDQATMBR-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001206257396 1049691271 /nfs/dbraw/zinc/69/12/71/1049691271.db2.gz CTJFSDYDQATMBR-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001206371259 1049722373 /nfs/dbraw/zinc/72/23/73/1049722373.db2.gz RNBOZTIIYQCUOL-INIZCTEOSA-N 2 2 324.490 4.130 20 0 DIADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001206371259 1049722384 /nfs/dbraw/zinc/72/23/84/1049722384.db2.gz RNBOZTIIYQCUOL-INIZCTEOSA-N 2 2 324.490 4.130 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001206478223 1049740413 /nfs/dbraw/zinc/74/04/13/1049740413.db2.gz VZGKKLLSHHEJFA-HOJAQTOUSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001206478223 1049740417 /nfs/dbraw/zinc/74/04/17/1049740417.db2.gz VZGKKLLSHHEJFA-HOJAQTOUSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490324253 1049822587 /nfs/dbraw/zinc/82/25/87/1049822587.db2.gz VJXUZEGLIZKAQF-GXTWGEPZSA-N 2 2 323.362 4.369 20 0 DIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490324253 1049822600 /nfs/dbraw/zinc/82/26/00/1049822600.db2.gz VJXUZEGLIZKAQF-GXTWGEPZSA-N 2 2 323.362 4.369 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001207284079 1049874944 /nfs/dbraw/zinc/87/49/44/1049874944.db2.gz HJMLTJJJWUBCHX-UHFFFAOYSA-N 2 2 303.277 4.013 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001207284079 1049874950 /nfs/dbraw/zinc/87/49/50/1049874950.db2.gz HJMLTJJJWUBCHX-UHFFFAOYSA-N 2 2 303.277 4.013 20 0 DIADLP CCCC(CCC)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001207314072 1049879664 /nfs/dbraw/zinc/87/96/64/1049879664.db2.gz LZXUYYGOSKFZGZ-FQEVSTJZSA-N 2 2 315.505 4.352 20 0 DIADLP CCCC(CCC)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001207314072 1049879668 /nfs/dbraw/zinc/87/96/68/1049879668.db2.gz LZXUYYGOSKFZGZ-FQEVSTJZSA-N 2 2 315.505 4.352 20 0 DIADLP C[NH+]1CCC([N@H+](CCCc2ccccc2F)C2CCCC2)CC1 ZINC001207498032 1049898543 /nfs/dbraw/zinc/89/85/43/1049898543.db2.gz ZNDNNJZFOGVWHF-UHFFFAOYSA-N 2 2 318.480 4.097 20 0 DIADLP C[NH+]1CCC([N@@H+](CCCc2ccccc2F)C2CCCC2)CC1 ZINC001207498032 1049898552 /nfs/dbraw/zinc/89/85/52/1049898552.db2.gz ZNDNNJZFOGVWHF-UHFFFAOYSA-N 2 2 318.480 4.097 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCCn1cc[nH+]c1 ZINC000571083366 1049920900 /nfs/dbraw/zinc/92/09/00/1049920900.db2.gz DSCPUENHBNWYEF-IBGZPJMESA-N 2 2 322.456 4.120 20 0 DIADLP CC1(C)CC[N@H+](Cc2c(Cl)oc3ccccc32)CC(C)(C)[NH2+]1 ZINC001207837598 1049943609 /nfs/dbraw/zinc/94/36/09/1049943609.db2.gz QIWUCRYFBPFAIR-UHFFFAOYSA-N 2 2 320.864 4.439 20 0 DIADLP CC1(C)CC[N@@H+](Cc2c(Cl)oc3ccccc32)CC(C)(C)[NH2+]1 ZINC001207837598 1049943611 /nfs/dbraw/zinc/94/36/11/1049943611.db2.gz QIWUCRYFBPFAIR-UHFFFAOYSA-N 2 2 320.864 4.439 20 0 DIADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)C2 ZINC001207931447 1049956953 /nfs/dbraw/zinc/95/69/53/1049956953.db2.gz FZLPXDOLNSVOLW-MRXNPFEDSA-N 2 2 311.473 4.009 20 0 DIADLP Cc1[nH+]cc2n1CC[N@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)C2 ZINC001207931447 1049956960 /nfs/dbraw/zinc/95/69/60/1049956960.db2.gz FZLPXDOLNSVOLW-MRXNPFEDSA-N 2 2 311.473 4.009 20 0 DIADLP Fc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)cc1 ZINC000588179183 1049974580 /nfs/dbraw/zinc/97/45/80/1049974580.db2.gz JNRVKGVNFNWIMR-UHFFFAOYSA-N 2 2 321.399 4.180 20 0 DIADLP Cc1ccc([C@@H](C)CC[N@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001208159264 1049978470 /nfs/dbraw/zinc/97/84/70/1049978470.db2.gz BJBXFUDJMGUXCW-INIZCTEOSA-N 2 2 318.505 4.420 20 0 DIADLP Cc1ccc([C@@H](C)CC[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001208159264 1049978476 /nfs/dbraw/zinc/97/84/76/1049978476.db2.gz BJBXFUDJMGUXCW-INIZCTEOSA-N 2 2 318.505 4.420 20 0 DIADLP CC/C=C\CCCCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001208191967 1049983853 /nfs/dbraw/zinc/98/38/53/1049983853.db2.gz VUHOLBHOJXDRLU-ARJAWSKDSA-N 2 2 302.462 4.451 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000589635333 1050051563 /nfs/dbraw/zinc/05/15/63/1050051563.db2.gz RIPDWPYMGXQWEV-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)s1 ZINC001209450396 1050061481 /nfs/dbraw/zinc/06/14/81/1050061481.db2.gz IKBITQVRFDRWGE-CQSZACIVSA-N 2 2 312.910 4.414 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)s1 ZINC001209450396 1050061487 /nfs/dbraw/zinc/06/14/87/1050061487.db2.gz IKBITQVRFDRWGE-CQSZACIVSA-N 2 2 312.910 4.414 20 0 DIADLP CC(C)[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001209727229 1050078913 /nfs/dbraw/zinc/07/89/13/1050078913.db2.gz XZAUAOIWVMUPDB-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001209727229 1050078917 /nfs/dbraw/zinc/07/89/17/1050078917.db2.gz XZAUAOIWVMUPDB-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171049342 1050189591 /nfs/dbraw/zinc/18/95/91/1050189591.db2.gz HWHODNQRNSROAZ-QGZVFWFLSA-N 2 2 320.908 4.004 20 0 DIADLP C[NH2+]CC1C[NH+](Cc2ccc(C3CCC(C)(C)CC3)cc2)C1 ZINC001210561539 1050295583 /nfs/dbraw/zinc/29/55/83/1050295583.db2.gz PMRCMVUKMURYOR-UHFFFAOYSA-N 2 2 300.490 4.022 20 0 DIADLP Cc1c(F)cc(F)cc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001143775314 1050357032 /nfs/dbraw/zinc/35/70/32/1050357032.db2.gz JACIIRDUXCMIDV-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1c(F)cc(F)cc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001143775314 1050357046 /nfs/dbraw/zinc/35/70/46/1050357046.db2.gz JACIIRDUXCMIDV-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785508054 1050384079 /nfs/dbraw/zinc/38/40/79/1050384079.db2.gz MLZMGQURQSFITP-KXBFYZLASA-N 2 2 315.505 4.064 20 0 DIADLP Cc1ccc(Oc2cccc(C[N@@H+](C)C3CC[NH+](C)CC3)c2)cc1 ZINC001144085819 1050456223 /nfs/dbraw/zinc/45/62/23/1050456223.db2.gz IECCGPNHRHSEKX-UHFFFAOYSA-N 2 2 324.468 4.313 20 0 DIADLP Cc1ccc(Oc2cccc(C[N@H+](C)C3CC[NH+](C)CC3)c2)cc1 ZINC001144085819 1050456229 /nfs/dbraw/zinc/45/62/29/1050456229.db2.gz IECCGPNHRHSEKX-UHFFFAOYSA-N 2 2 324.468 4.313 20 0 DIADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000594750624 1050554198 /nfs/dbraw/zinc/55/41/98/1050554198.db2.gz YPUVCNGZAZMBNZ-MRXNPFEDSA-N 2 2 306.453 4.219 20 0 DIADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000594750624 1050554199 /nfs/dbraw/zinc/55/41/99/1050554199.db2.gz YPUVCNGZAZMBNZ-MRXNPFEDSA-N 2 2 306.453 4.219 20 0 DIADLP CC(C)CCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001170070300 1050559269 /nfs/dbraw/zinc/55/92/69/1050559269.db2.gz VRPKUDBNBRRXLJ-QGZVFWFLSA-N 2 2 303.494 4.102 20 0 DIADLP c1c[nH+]c(-c2ccc(Nc3c[nH+]ccc3N3CCCCC3)cc2)[nH]1 ZINC001213087519 1050582287 /nfs/dbraw/zinc/58/22/87/1050582287.db2.gz RARHCUMLCHRMLA-UHFFFAOYSA-N 2 2 319.412 4.206 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787284699 1050582803 /nfs/dbraw/zinc/58/28/03/1050582803.db2.gz KQWOAUXHQMGKTP-LPHOPBHVSA-N 2 2 317.436 4.253 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787284701 1050584393 /nfs/dbraw/zinc/58/43/93/1050584393.db2.gz KQWOAUXHQMGKTP-QFBILLFUSA-N 2 2 317.436 4.253 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000766243708 1050596755 /nfs/dbraw/zinc/59/67/55/1050596755.db2.gz PGXUQGPASOWDHV-INIZCTEOSA-N 2 2 323.362 4.047 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000766243708 1050596775 /nfs/dbraw/zinc/59/67/75/1050596775.db2.gz PGXUQGPASOWDHV-INIZCTEOSA-N 2 2 323.362 4.047 20 0 DIADLP CC(C)(C)c1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cc[nH+]1 ZINC001213166682 1050605096 /nfs/dbraw/zinc/60/50/96/1050605096.db2.gz IVALNOWGUGHHAU-UHFFFAOYSA-N 2 2 306.413 4.368 20 0 DIADLP C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000846190295 1050692838 /nfs/dbraw/zinc/69/28/38/1050692838.db2.gz PMOZJCZWZGQWJE-JQFCIGGWSA-N 2 2 321.827 4.228 20 0 DIADLP C[C@H]1CC[C@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151343 1051038738 /nfs/dbraw/zinc/03/87/38/1051038738.db2.gz QSNYXMYPZQHOTE-QCZBUENISA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H]1CC[C@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151343 1051038747 /nfs/dbraw/zinc/03/87/47/1051038747.db2.gz QSNYXMYPZQHOTE-QCZBUENISA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H]1CC[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151343 1051038755 /nfs/dbraw/zinc/03/87/55/1051038755.db2.gz QSNYXMYPZQHOTE-QCZBUENISA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H]1CC[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151343 1051038761 /nfs/dbraw/zinc/03/87/61/1051038761.db2.gz QSNYXMYPZQHOTE-QCZBUENISA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)s1 ZINC000037156429 1051113049 /nfs/dbraw/zinc/11/30/49/1051113049.db2.gz XYDFHFAKFAOWNR-DGCLKSJQSA-N 2 2 311.882 4.364 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000037156365 1051113592 /nfs/dbraw/zinc/11/35/92/1051113592.db2.gz PMZHLGBIFMGJLX-CZUORRHYSA-N 2 2 305.853 4.302 20 0 DIADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001170294831 1051178247 /nfs/dbraw/zinc/17/82/47/1051178247.db2.gz SBKWFPABIDVGJT-INIZCTEOSA-N 2 2 320.908 4.221 20 0 DIADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1(C)C ZINC001171643023 1051197296 /nfs/dbraw/zinc/19/72/96/1051197296.db2.gz PLWAYAAFXHZYLO-OAHLLOKOSA-N 2 2 310.501 4.242 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC001171966121 1051250027 /nfs/dbraw/zinc/25/00/27/1051250027.db2.gz SLURVBGJRLANKA-GOSISDBHSA-N 2 2 312.457 4.121 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC001171966121 1051250035 /nfs/dbraw/zinc/25/00/35/1051250035.db2.gz SLURVBGJRLANKA-GOSISDBHSA-N 2 2 312.457 4.121 20 0 DIADLP CC1(C)C[C@@H]([NH+]2CC3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171988832 1051255785 /nfs/dbraw/zinc/25/57/85/1051255785.db2.gz WEHMUKURWITIBT-MHJFOBGBSA-N 2 2 312.501 4.304 20 0 DIADLP CC1(C)C[C@@H]([NH+]2CC3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171988832 1051255801 /nfs/dbraw/zinc/25/58/01/1051255801.db2.gz WEHMUKURWITIBT-MHJFOBGBSA-N 2 2 312.501 4.304 20 0 DIADLP CC1(C)C[C@@H]([N@@H+]2CC3CCC2CC3)CC[NH+]1Cc1ccccc1 ZINC001171988832 1051255817 /nfs/dbraw/zinc/25/58/17/1051255817.db2.gz WEHMUKURWITIBT-MHJFOBGBSA-N 2 2 312.501 4.304 20 0 DIADLP CC1(C)C[C@@H]([N@H+]2CC3CCC2CC3)CC[NH+]1Cc1ccccc1 ZINC001171988832 1051255834 /nfs/dbraw/zinc/25/58/34/1051255834.db2.gz WEHMUKURWITIBT-MHJFOBGBSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975074 1051264193 /nfs/dbraw/zinc/26/41/93/1051264193.db2.gz KNKNDRSMEWBTSA-APWZRJJASA-N 2 2 312.457 4.373 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975074 1051264202 /nfs/dbraw/zinc/26/42/02/1051264202.db2.gz KNKNDRSMEWBTSA-APWZRJJASA-N 2 2 312.457 4.373 20 0 DIADLP CC[N@H+](Cc1c(F)cccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131613 1051293693 /nfs/dbraw/zinc/29/36/93/1051293693.db2.gz XPVCFQXVGVOZHR-QDMKHBRRSA-N 2 2 324.871 4.316 20 0 DIADLP CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131613 1051293706 /nfs/dbraw/zinc/29/37/06/1051293706.db2.gz XPVCFQXVGVOZHR-QDMKHBRRSA-N 2 2 324.871 4.316 20 0 DIADLP CC[NH+](Cc1c(F)cccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131613 1051293715 /nfs/dbraw/zinc/29/37/15/1051293715.db2.gz XPVCFQXVGVOZHR-QDMKHBRRSA-N 2 2 324.871 4.316 20 0 DIADLP CC[NH+](Cc1c(F)cccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131613 1051293730 /nfs/dbraw/zinc/29/37/30/1051293730.db2.gz XPVCFQXVGVOZHR-QDMKHBRRSA-N 2 2 324.871 4.316 20 0 DIADLP CSc1cc(Nc2ccc(C[NH2+]CC(C)C)cc2)cc[nH+]1 ZINC001215745207 1051338736 /nfs/dbraw/zinc/33/87/36/1051338736.db2.gz UNEOGFKQPFZGHF-UHFFFAOYSA-N 2 2 301.459 4.293 20 0 DIADLP C[NH+]1C(C)(C)CC(Nc2cc3cc(F)ccc3c[nH+]2)CC1(C)C ZINC001170453586 1051429535 /nfs/dbraw/zinc/42/95/35/1051429535.db2.gz OVQIKYVXCCTUEL-UHFFFAOYSA-N 2 2 315.436 4.437 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552112 1051434857 /nfs/dbraw/zinc/43/48/57/1051434857.db2.gz DBEQHHZQPNRPJS-DFQSSKMNSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172534847 1051450584 /nfs/dbraw/zinc/45/05/84/1051450584.db2.gz AXCUNSXVECNYMJ-AQNXPRMDSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172534847 1051450591 /nfs/dbraw/zinc/45/05/91/1051450591.db2.gz AXCUNSXVECNYMJ-AQNXPRMDSA-N 2 2 300.490 4.033 20 0 DIADLP CC[N@H+]([C@@H](Cc1ccccc1)CC(C)C)C1CC[NH+](C)CC1 ZINC001169077196 1051512757 /nfs/dbraw/zinc/51/27/57/1051512757.db2.gz BQIPMIBDIMTWDW-HXUWFJFHSA-N 2 2 302.506 4.060 20 0 DIADLP CC[N@@H+]([C@@H](Cc1ccccc1)CC(C)C)C1CC[NH+](C)CC1 ZINC001169077196 1051512766 /nfs/dbraw/zinc/51/27/66/1051512766.db2.gz BQIPMIBDIMTWDW-HXUWFJFHSA-N 2 2 302.506 4.060 20 0 DIADLP c1cn(C2CC[NH+](C3CCC(Cc4ccccc4)CC3)CC2)c[nH+]1 ZINC001172825400 1051517335 /nfs/dbraw/zinc/51/73/35/1051517335.db2.gz VACFAELDHBTTKQ-UHFFFAOYSA-N 2 2 323.484 4.322 20 0 DIADLP CC1(C)C[C@H](Nc2cc3cc(F)ccc3c[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169141010 1051532353 /nfs/dbraw/zinc/53/23/53/1051532353.db2.gz IKTNHJSFTWSSCF-LPHOPBHVSA-N 2 2 315.436 4.330 20 0 DIADLP COc1ccc([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169141590 1051532805 /nfs/dbraw/zinc/53/28/05/1051532805.db2.gz CKPHCWQSRPTISB-DJJJIMSYSA-N 2 2 315.461 4.132 20 0 DIADLP Cc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1[NH+](C)C ZINC001169150088 1051535245 /nfs/dbraw/zinc/53/52/45/1051535245.db2.gz ASBVLQRZFUMLCW-QFBILLFUSA-N 2 2 303.494 4.017 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000178706744 1051583126 /nfs/dbraw/zinc/58/31/26/1051583126.db2.gz IXKNJJJDHAINDN-UHFFFAOYSA-N 2 2 310.441 4.005 20 0 DIADLP Cc1cc[nH+]c(C(C)C)c1Nc1cccc(C[NH+](C)C)c1F ZINC001216228455 1051637889 /nfs/dbraw/zinc/63/78/89/1051637889.db2.gz HOLPBYUQBDFOBY-UHFFFAOYSA-N 2 2 301.409 4.458 20 0 DIADLP CCc1ccc(C[C@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)cc1 ZINC001173251314 1051654707 /nfs/dbraw/zinc/65/47/07/1051654707.db2.gz YWNNWYXDWUJZMC-INIZCTEOSA-N 2 2 319.452 4.375 20 0 DIADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173270142 1051667279 /nfs/dbraw/zinc/66/72/79/1051667279.db2.gz AVUPSKWIYRNXIU-JXFKEZNVSA-N 2 2 318.480 4.267 20 0 DIADLP CC[C@H]1CC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272592 1051669211 /nfs/dbraw/zinc/66/92/11/1051669211.db2.gz JUDQBHBBNDEFNX-FXAWDEMLSA-N 2 2 300.490 4.162 20 0 DIADLP CC[C@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272592 1051669217 /nfs/dbraw/zinc/66/92/17/1051669217.db2.gz JUDQBHBBNDEFNX-FXAWDEMLSA-N 2 2 300.490 4.162 20 0 DIADLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173272208 1051669294 /nfs/dbraw/zinc/66/92/94/1051669294.db2.gz IZALUWHRDIUSNB-APWZRJJASA-N 2 2 318.480 4.267 20 0 DIADLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173272221 1051669433 /nfs/dbraw/zinc/66/94/33/1051669433.db2.gz IZALUWHRDIUSNB-VQIMIIECSA-N 2 2 318.480 4.267 20 0 DIADLP CC[C@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296530 1051677054 /nfs/dbraw/zinc/67/70/54/1051677054.db2.gz UUSOJVBEXADKNK-LPHOPBHVSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296530 1051677058 /nfs/dbraw/zinc/67/70/58/1051677058.db2.gz UUSOJVBEXADKNK-LPHOPBHVSA-N 2 2 318.480 4.301 20 0 DIADLP c1cn([C@@H]2CCCC3(CCCCC3)C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001173342852 1051701620 /nfs/dbraw/zinc/70/16/20/1051701620.db2.gz BVQXDWFTFKIAAK-IAGOWNOFSA-N 2 2 301.478 4.416 20 0 DIADLP c1cn([C@H]2CCCC3(CCCCC3)C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001173342853 1051701886 /nfs/dbraw/zinc/70/18/86/1051701886.db2.gz BVQXDWFTFKIAAK-IRXDYDNUSA-N 2 2 301.478 4.416 20 0 DIADLP Cc1[nH+]cn([C@@H]2CCCC3(CCCCC3)C2)c1CSCC[NH3+] ZINC001173348404 1051705165 /nfs/dbraw/zinc/70/51/65/1051705165.db2.gz KCKXIAUXTOZRHB-MRXNPFEDSA-N 2 2 321.534 4.449 20 0 DIADLP CCCCCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000768530688 1051940863 /nfs/dbraw/zinc/94/08/63/1051940863.db2.gz OGLIHUKLYCFLPI-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3-c3ccccc3)C2)[nH]1 ZINC000768904487 1051977129 /nfs/dbraw/zinc/97/71/29/1051977129.db2.gz ZZDFGGSBKKZNGF-LJQANCHMSA-N 2 2 317.436 4.456 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3-c3ccccc3)C2)[nH]1 ZINC000768904487 1051977135 /nfs/dbraw/zinc/97/71/35/1051977135.db2.gz ZZDFGGSBKKZNGF-LJQANCHMSA-N 2 2 317.436 4.456 20 0 DIADLP c1cn(C2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c[nH+]1 ZINC000769184631 1052006911 /nfs/dbraw/zinc/00/69/11/1052006911.db2.gz BUDKRVKKPYSPRD-UHFFFAOYSA-N 2 2 317.436 4.387 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000769408089 1052042549 /nfs/dbraw/zinc/04/25/49/1052042549.db2.gz RSFUFFSRCCRDTF-UKRRQHHQSA-N 2 2 320.506 4.229 20 0 DIADLP CCCCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000808675295 1052065037 /nfs/dbraw/zinc/06/50/37/1052065037.db2.gz BZYVCYQTNZTXIZ-KRWDZBQOSA-N 2 2 305.510 4.347 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc(C[NH+](C)C)cc3)ccc21 ZINC001174381997 1052141231 /nfs/dbraw/zinc/14/12/31/1052141231.db2.gz ZAPZLWIIJFIORH-UHFFFAOYSA-N 2 2 308.429 4.422 20 0 DIADLP C[NH+]1CCC(c2ccc(Nc3cc[nH+]c4[nH]ccc43)cc2)CC1 ZINC001174410996 1052163965 /nfs/dbraw/zinc/16/39/65/1052163965.db2.gz CRTCIQQJTXIHMA-UHFFFAOYSA-N 2 2 306.413 4.067 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000494953800 1052181000 /nfs/dbraw/zinc/18/10/00/1052181000.db2.gz JXVMASFEKLFONN-HOCLYGCPSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000494953800 1052180985 /nfs/dbraw/zinc/18/09/85/1052180985.db2.gz JXVMASFEKLFONN-HOCLYGCPSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000494953800 1052180993 /nfs/dbraw/zinc/18/09/93/1052180993.db2.gz JXVMASFEKLFONN-HOCLYGCPSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000494953800 1052181005 /nfs/dbraw/zinc/18/10/05/1052181005.db2.gz JXVMASFEKLFONN-HOCLYGCPSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000494953794 1052182014 /nfs/dbraw/zinc/18/20/14/1052182014.db2.gz JXVMASFEKLFONN-GDBMZVCRSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000494953794 1052182019 /nfs/dbraw/zinc/18/20/19/1052182019.db2.gz JXVMASFEKLFONN-GDBMZVCRSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000494953794 1052182024 /nfs/dbraw/zinc/18/20/24/1052182024.db2.gz JXVMASFEKLFONN-GDBMZVCRSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000494953794 1052182027 /nfs/dbraw/zinc/18/20/27/1052182027.db2.gz JXVMASFEKLFONN-GDBMZVCRSA-N 2 2 324.896 4.043 20 0 DIADLP Cc1ccccc1[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000495023351 1052198885 /nfs/dbraw/zinc/19/88/85/1052198885.db2.gz AMIAYXRQARDMEF-OXQOHEQNSA-N 2 2 309.457 4.097 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445855 1052227513 /nfs/dbraw/zinc/22/75/13/1052227513.db2.gz BRRCZYWMBBMGKQ-IMJJTQAJSA-N 2 2 300.471 4.179 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445855 1052227521 /nfs/dbraw/zinc/22/75/21/1052227521.db2.gz BRRCZYWMBBMGKQ-IMJJTQAJSA-N 2 2 300.471 4.179 20 0 DIADLP CC1(C)CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000316348353 1052366761 /nfs/dbraw/zinc/36/67/61/1052366761.db2.gz YZFJMOZIEVWJIJ-RBUKOAKNSA-N 2 2 300.490 4.382 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000915228006 1052370758 /nfs/dbraw/zinc/37/07/58/1052370758.db2.gz REWJXYKNSRRUKP-DBXWQHBBSA-N 2 2 323.484 4.380 20 0 DIADLP Cc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000237977884 1052447211 /nfs/dbraw/zinc/44/72/11/1052447211.db2.gz ZKHSULUUBQWNTA-OAQYLSRUSA-N 2 2 321.468 4.100 20 0 DIADLP Cc1csc2sc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c(C)c12 ZINC001222247028 1052467930 /nfs/dbraw/zinc/46/79/30/1052467930.db2.gz ARRVQNIGDUNXIU-KRWDZBQOSA-N 2 2 320.527 4.298 20 0 DIADLP Cc1csc2sc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c(C)c12 ZINC001222247028 1052467931 /nfs/dbraw/zinc/46/79/31/1052467931.db2.gz ARRVQNIGDUNXIU-KRWDZBQOSA-N 2 2 320.527 4.298 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000316783442 1052472991 /nfs/dbraw/zinc/47/29/91/1052472991.db2.gz MXWHIDMSFVFRCC-SOUVJXGZSA-N 2 2 300.446 4.129 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000316783442 1052472993 /nfs/dbraw/zinc/47/29/93/1052472993.db2.gz MXWHIDMSFVFRCC-SOUVJXGZSA-N 2 2 300.446 4.129 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282440 1052473835 /nfs/dbraw/zinc/47/38/35/1052473835.db2.gz JHENQBWDZQZCDD-FQEVSTJZSA-N 2 2 322.477 4.382 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282440 1052473837 /nfs/dbraw/zinc/47/38/37/1052473837.db2.gz JHENQBWDZQZCDD-FQEVSTJZSA-N 2 2 322.477 4.382 20 0 DIADLP Clc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222310891 1052478758 /nfs/dbraw/zinc/47/87/58/1052478758.db2.gz XTPKQMGATJGSCT-MRXNPFEDSA-N 2 2 313.272 4.102 20 0 DIADLP Clc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)c1 ZINC001222310891 1052478761 /nfs/dbraw/zinc/47/87/61/1052478761.db2.gz XTPKQMGATJGSCT-MRXNPFEDSA-N 2 2 313.272 4.102 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000393391064 1052481181 /nfs/dbraw/zinc/48/11/81/1052481181.db2.gz CFAVITVRYUMNNI-PCCBWWKXSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000393391064 1052481188 /nfs/dbraw/zinc/48/11/88/1052481188.db2.gz CFAVITVRYUMNNI-PCCBWWKXSA-N 2 2 324.443 4.132 20 0 DIADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347058 1052488652 /nfs/dbraw/zinc/48/86/52/1052488652.db2.gz UZQWLBYIAYZNFG-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347058 1052488656 /nfs/dbraw/zinc/48/86/56/1052488656.db2.gz UZQWLBYIAYZNFG-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353480 1052490170 /nfs/dbraw/zinc/49/01/70/1052490170.db2.gz BMJDVYPXTXHCSU-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353480 1052490175 /nfs/dbraw/zinc/49/01/75/1052490175.db2.gz BMJDVYPXTXHCSU-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001222361146 1052490940 /nfs/dbraw/zinc/49/09/40/1052490940.db2.gz DZZCBKJHJNUSBX-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001222361146 1052490944 /nfs/dbraw/zinc/49/09/44/1052490944.db2.gz DZZCBKJHJNUSBX-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000347458222 1052529286 /nfs/dbraw/zinc/52/92/86/1052529286.db2.gz FJHWUOHATUNKNA-MRXNPFEDSA-N 2 2 305.372 4.019 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270899 1052546439 /nfs/dbraw/zinc/54/64/39/1052546439.db2.gz GKDIJVQXEJMYJL-HZPDHXFCSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270899 1052546447 /nfs/dbraw/zinc/54/64/47/1052546447.db2.gz GKDIJVQXEJMYJL-HZPDHXFCSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038309 1052563738 /nfs/dbraw/zinc/56/37/38/1052563738.db2.gz VLWXCOUKOJNTML-DYESRHJHSA-N 2 2 324.468 4.098 20 0 DIADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038309 1052563742 /nfs/dbraw/zinc/56/37/42/1052563742.db2.gz VLWXCOUKOJNTML-DYESRHJHSA-N 2 2 324.468 4.098 20 0 DIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000037644553 1052627562 /nfs/dbraw/zinc/62/75/62/1052627562.db2.gz NEFRTTQGSWXNHR-WDEREUQCSA-N 2 2 319.251 4.125 20 0 DIADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000037644553 1052627566 /nfs/dbraw/zinc/62/75/66/1052627566.db2.gz NEFRTTQGSWXNHR-WDEREUQCSA-N 2 2 319.251 4.125 20 0 DIADLP CC(C)(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000124619549 1052641900 /nfs/dbraw/zinc/64/19/00/1052641900.db2.gz AJHJBILTNGFVNJ-HXUWFJFHSA-N 2 2 323.484 4.427 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000125189443 1052645448 /nfs/dbraw/zinc/64/54/48/1052645448.db2.gz WNQQIDAUMYKLMZ-DLBZAZTESA-N 2 2 312.457 4.464 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126452284 1052670413 /nfs/dbraw/zinc/67/04/13/1052670413.db2.gz BRRCZYWMBBMGKQ-CWRNSKLLSA-N 2 2 300.471 4.179 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126452284 1052670414 /nfs/dbraw/zinc/67/04/14/1052670414.db2.gz BRRCZYWMBBMGKQ-CWRNSKLLSA-N 2 2 300.471 4.179 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000126897089 1052684371 /nfs/dbraw/zinc/68/43/71/1052684371.db2.gz NELVMYJBOVOOGL-HZPDHXFCSA-N 2 2 318.486 4.212 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000126897089 1052684372 /nfs/dbraw/zinc/68/43/72/1052684372.db2.gz NELVMYJBOVOOGL-HZPDHXFCSA-N 2 2 318.486 4.212 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129492233 1052791910 /nfs/dbraw/zinc/79/19/10/1052791910.db2.gz GFKUJXTWMVYICP-DCAQKATOSA-N 2 2 319.251 4.266 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129492233 1052791916 /nfs/dbraw/zinc/79/19/16/1052791916.db2.gz GFKUJXTWMVYICP-DCAQKATOSA-N 2 2 319.251 4.266 20 0 DIADLP Clc1ccc([C@H]2CCCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000556519274 1052859305 /nfs/dbraw/zinc/85/93/05/1052859305.db2.gz LPTHGFPHHYUASY-MSOLQXFVSA-N 2 2 317.864 4.243 20 0 DIADLP Clc1ccc([C@@H]2CCCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000556519279 1052859351 /nfs/dbraw/zinc/85/93/51/1052859351.db2.gz LPTHGFPHHYUASY-ROUUACIJSA-N 2 2 317.864 4.243 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000078704750 1052987771 /nfs/dbraw/zinc/98/77/71/1052987771.db2.gz GUYFRONBWHFLRJ-IAGOWNOFSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000078704750 1052987776 /nfs/dbraw/zinc/98/77/76/1052987776.db2.gz GUYFRONBWHFLRJ-IAGOWNOFSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000078704750 1052987779 /nfs/dbraw/zinc/98/77/79/1052987779.db2.gz GUYFRONBWHFLRJ-IAGOWNOFSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000078704750 1052987784 /nfs/dbraw/zinc/98/77/84/1052987784.db2.gz GUYFRONBWHFLRJ-IAGOWNOFSA-N 2 2 320.908 4.426 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000091284353 1053258362 /nfs/dbraw/zinc/25/83/62/1053258362.db2.gz ZFWUFRKNQHXLBT-NRFANRHFSA-N 2 2 319.452 4.418 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000091283972 1053258590 /nfs/dbraw/zinc/25/85/90/1053258590.db2.gz PZZOYZAQDYHMIW-NRFANRHFSA-N 2 2 319.452 4.418 20 0 DIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)s1 ZINC000152820090 1053534324 /nfs/dbraw/zinc/53/43/24/1053534324.db2.gz FBZGOHFTTAVSAJ-ZDUSSCGKSA-N 2 2 323.893 4.218 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001200389476 1053619573 /nfs/dbraw/zinc/61/95/73/1053619573.db2.gz CGCWBSPTAZRCIN-IMBTUZDBSA-N 2 2 300.490 4.284 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000620434931 1053661604 /nfs/dbraw/zinc/66/16/04/1053661604.db2.gz KZMVYNHRIPPYEW-NRFANRHFSA-N 2 2 323.484 4.028 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000620434931 1053661615 /nfs/dbraw/zinc/66/16/15/1053661615.db2.gz KZMVYNHRIPPYEW-NRFANRHFSA-N 2 2 323.484 4.028 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154547213 1053739898 /nfs/dbraw/zinc/73/98/98/1053739898.db2.gz GDWHENOSMGIDIA-LPHOPBHVSA-N 2 2 324.468 4.107 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154547213 1053739906 /nfs/dbraw/zinc/73/99/06/1053739906.db2.gz GDWHENOSMGIDIA-LPHOPBHVSA-N 2 2 324.468 4.107 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001231430044 1053749843 /nfs/dbraw/zinc/74/98/43/1053749843.db2.gz DJKBHVOYRDJLRX-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001231430044 1053749849 /nfs/dbraw/zinc/74/98/49/1053749849.db2.gz DJKBHVOYRDJLRX-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000155727063 1053784646 /nfs/dbraw/zinc/78/46/46/1053784646.db2.gz OXSIDBDRPANLPB-OAHLLOKOSA-N 2 2 311.351 4.033 20 0 DIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccncc1 ZINC000156683600 1053821443 /nfs/dbraw/zinc/82/14/43/1053821443.db2.gz YPCQQEOUCFTUKP-MSOLQXFVSA-N 2 2 323.484 4.396 20 0 DIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824333 1053880073 /nfs/dbraw/zinc/88/00/73/1053880073.db2.gz ACFVXUSFJOYHSW-WIYYLYMNSA-N 2 2 324.443 4.019 20 0 DIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824333 1053880089 /nfs/dbraw/zinc/88/00/89/1053880089.db2.gz ACFVXUSFJOYHSW-WIYYLYMNSA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824333 1053880100 /nfs/dbraw/zinc/88/01/00/1053880100.db2.gz ACFVXUSFJOYHSW-WIYYLYMNSA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824333 1053880115 /nfs/dbraw/zinc/88/01/15/1053880115.db2.gz ACFVXUSFJOYHSW-WIYYLYMNSA-N 2 2 324.443 4.019 20 0 DIADLP C[N@H+](Cc1cc(Cl)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232279932 1054012590 /nfs/dbraw/zinc/01/25/90/1054012590.db2.gz IKTRFOJSBUJHHP-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[N@@H+](Cc1cc(Cl)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232279932 1054012602 /nfs/dbraw/zinc/01/26/02/1054012602.db2.gz IKTRFOJSBUJHHP-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP Clc1csc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232282493 1054014426 /nfs/dbraw/zinc/01/44/26/1054014426.db2.gz YEBHOACQEQVSCY-OAHLLOKOSA-N 2 2 312.910 4.242 20 0 DIADLP Clc1csc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232282493 1054014435 /nfs/dbraw/zinc/01/44/35/1054014435.db2.gz YEBHOACQEQVSCY-OAHLLOKOSA-N 2 2 312.910 4.242 20 0 DIADLP FC1(F)CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001330749614 1054050935 /nfs/dbraw/zinc/05/09/35/1054050935.db2.gz KXUWUFXWJNMXHI-KRWDZBQOSA-N 2 2 319.399 4.040 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001232615616 1054085044 /nfs/dbraw/zinc/08/50/44/1054085044.db2.gz ZBIFTQIWYIGRPC-QGZVFWFLSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001232615616 1054085054 /nfs/dbraw/zinc/08/50/54/1054085054.db2.gz ZBIFTQIWYIGRPC-QGZVFWFLSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001232615615 1054085774 /nfs/dbraw/zinc/08/57/74/1054085774.db2.gz ZBIFTQIWYIGRPC-KRWDZBQOSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001232615615 1054085781 /nfs/dbraw/zinc/08/57/81/1054085781.db2.gz ZBIFTQIWYIGRPC-KRWDZBQOSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1ccc(Cl)cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001233250888 1054216040 /nfs/dbraw/zinc/21/60/40/1054216040.db2.gz DKSKZWNMIZKDLS-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(C)o1 ZINC000336664863 1054438075 /nfs/dbraw/zinc/43/80/75/1054438075.db2.gz DKETWCCLMDXPKR-INIZCTEOSA-N 2 2 300.446 4.069 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000336664863 1054438081 /nfs/dbraw/zinc/43/80/81/1054438081.db2.gz DKETWCCLMDXPKR-INIZCTEOSA-N 2 2 300.446 4.069 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650909 1054512331 /nfs/dbraw/zinc/51/23/31/1054512331.db2.gz MJLGNTDOABCWPY-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC1(C)C ZINC000623645111 1054642299 /nfs/dbraw/zinc/64/22/99/1054642299.db2.gz OQCOFSOKCSUBMX-GFCCVEGCSA-N 2 2 306.837 4.049 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC1(C)C ZINC000623645111 1054642308 /nfs/dbraw/zinc/64/23/08/1054642308.db2.gz OQCOFSOKCSUBMX-GFCCVEGCSA-N 2 2 306.837 4.049 20 0 DIADLP C(=C/c1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001235108518 1054659035 /nfs/dbraw/zinc/65/90/35/1054659035.db2.gz ALNITMYTOZAXLI-VQKOGROQSA-N 2 2 318.464 4.185 20 0 DIADLP C(=C/c1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001235108518 1054659039 /nfs/dbraw/zinc/65/90/39/1054659039.db2.gz ALNITMYTOZAXLI-VQKOGROQSA-N 2 2 318.464 4.185 20 0 DIADLP c1cc(-c2cccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c2)cs1 ZINC001235117330 1054662517 /nfs/dbraw/zinc/66/25/17/1054662517.db2.gz ADYCKDYHGQRCRI-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2cccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c2)cs1 ZINC001235117330 1054662521 /nfs/dbraw/zinc/66/25/21/1054662521.db2.gz ADYCKDYHGQRCRI-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235118214 1054662593 /nfs/dbraw/zinc/66/25/93/1054662593.db2.gz MDPDGDCJVOLEND-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235118214 1054662598 /nfs/dbraw/zinc/66/25/98/1054662598.db2.gz MDPDGDCJVOLEND-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccsc2)cs1 ZINC001235188055 1054677505 /nfs/dbraw/zinc/67/75/05/1054677505.db2.gz FFCWNJZIRUNASV-UHFFFAOYSA-N 2 2 317.483 4.195 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccsc2)cs1 ZINC001235188055 1054677512 /nfs/dbraw/zinc/67/75/12/1054677512.db2.gz FFCWNJZIRUNASV-UHFFFAOYSA-N 2 2 317.483 4.195 20 0 DIADLP C[N@H+](Cc1cccc2c3ccccc3sc21)[C@H]1CCC[NH2+]C1 ZINC001235343357 1054703059 /nfs/dbraw/zinc/70/30/59/1054703059.db2.gz UUFKVWOTDRODBD-HNNXBMFYSA-N 2 2 310.466 4.238 20 0 DIADLP C[N@@H+](Cc1cccc2c3ccccc3sc21)[C@H]1CCC[NH2+]C1 ZINC001235343357 1054703071 /nfs/dbraw/zinc/70/30/71/1054703071.db2.gz UUFKVWOTDRODBD-HNNXBMFYSA-N 2 2 310.466 4.238 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC001235346850 1054703370 /nfs/dbraw/zinc/70/33/70/1054703370.db2.gz KNPXRDDUWZOMIO-FQEVSTJZSA-N 2 2 308.469 4.154 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC001235346850 1054703386 /nfs/dbraw/zinc/70/33/86/1054703386.db2.gz KNPXRDDUWZOMIO-FQEVSTJZSA-N 2 2 308.469 4.154 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000179906121 1054713466 /nfs/dbraw/zinc/71/34/66/1054713466.db2.gz MLQWHLCZGIRVPY-PBHICJAKSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000179906121 1054713481 /nfs/dbraw/zinc/71/34/81/1054713481.db2.gz MLQWHLCZGIRVPY-PBHICJAKSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906121 1054713497 /nfs/dbraw/zinc/71/34/97/1054713497.db2.gz MLQWHLCZGIRVPY-PBHICJAKSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000179906121 1054713517 /nfs/dbraw/zinc/71/35/17/1054713517.db2.gz MLQWHLCZGIRVPY-PBHICJAKSA-N 2 2 316.420 4.000 20 0 DIADLP CC(C)[N@H+](Cc1ccccc1-c1ccncc1)C1CC[NH+](C)CC1 ZINC001235622662 1054757305 /nfs/dbraw/zinc/75/73/05/1054757305.db2.gz NYFAEICAEZIZHD-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1ccccc1-c1ccncc1)C1CC[NH+](C)CC1 ZINC001235622662 1054757319 /nfs/dbraw/zinc/75/73/19/1054757319.db2.gz NYFAEICAEZIZHD-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(F)c(-c3ccccc3)c2)CC1 ZINC001235725412 1054790584 /nfs/dbraw/zinc/79/05/84/1054790584.db2.gz WEJOTHRLQAUAJF-UHFFFAOYSA-N 2 2 312.432 4.067 20 0 DIADLP C[NH2+]C1CC[NH+](Cc2ccccc2-c2ccccc2Cl)CC1 ZINC001235788479 1054806160 /nfs/dbraw/zinc/80/61/60/1054806160.db2.gz HDOJPJRQRQKQCB-UHFFFAOYSA-N 2 2 314.860 4.191 20 0 DIADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C)sc1C ZINC000623964911 1054837657 /nfs/dbraw/zinc/83/76/57/1054837657.db2.gz UAWFZDSIKJGMFE-ZBFHGGJFSA-N 2 2 303.475 4.007 20 0 DIADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907632 1054844247 /nfs/dbraw/zinc/84/42/47/1054844247.db2.gz RIXWCVSGRIVSLP-RHSMWYFYSA-N 2 2 314.860 4.319 20 0 DIADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907632 1054844253 /nfs/dbraw/zinc/84/42/53/1054844253.db2.gz RIXWCVSGRIVSLP-RHSMWYFYSA-N 2 2 314.860 4.319 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)ccc21 ZINC001235907671 1054844955 /nfs/dbraw/zinc/84/49/55/1054844955.db2.gz SBMREKBGUZPOJZ-DOTOQJQBSA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)ccc21 ZINC001235907671 1054844959 /nfs/dbraw/zinc/84/49/59/1054844959.db2.gz SBMREKBGUZPOJZ-DOTOQJQBSA-N 2 2 321.468 4.126 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181077340 1054902724 /nfs/dbraw/zinc/90/27/24/1054902724.db2.gz DKBLXOPFDXYTJI-GFCCVEGCSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181077340 1054902738 /nfs/dbraw/zinc/90/27/38/1054902738.db2.gz DKBLXOPFDXYTJI-GFCCVEGCSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc2c(ccc3ccccc23)o1 ZINC000181405732 1054912985 /nfs/dbraw/zinc/91/29/85/1054912985.db2.gz LNEVQIORCAAVRD-CQSZACIVSA-N 2 2 305.381 4.133 20 0 DIADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051963 1054917423 /nfs/dbraw/zinc/91/74/23/1054917423.db2.gz OLPAHRPRYYTSMF-ZFWWWQNUSA-N 2 2 310.466 4.224 20 0 DIADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051963 1054917435 /nfs/dbraw/zinc/91/74/35/1054917435.db2.gz OLPAHRPRYYTSMF-ZFWWWQNUSA-N 2 2 310.466 4.224 20 0 DIADLP C(=C/[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000181947562 1054949449 /nfs/dbraw/zinc/94/94/49/1054949449.db2.gz MSLROGXOHGUPRB-KBOKABMXSA-N 2 2 315.486 4.293 20 0 DIADLP C(=C/[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000181947562 1054949460 /nfs/dbraw/zinc/94/94/60/1054949460.db2.gz MSLROGXOHGUPRB-KBOKABMXSA-N 2 2 315.486 4.293 20 0 DIADLP C[N@H+](Cc1sc(Cl)c2ccccc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218070 1055006072 /nfs/dbraw/zinc/00/60/72/1055006072.db2.gz RIPHWWGEKJABFP-UONOGXRCSA-N 2 2 308.878 4.256 20 0 DIADLP C[N@@H+](Cc1sc(Cl)c2ccccc21)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218070 1055006082 /nfs/dbraw/zinc/00/60/82/1055006082.db2.gz RIPHWWGEKJABFP-UONOGXRCSA-N 2 2 308.878 4.256 20 0 DIADLP C[N@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218848 1055008730 /nfs/dbraw/zinc/00/87/30/1055008730.db2.gz UFFIDULUXOCZHW-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218848 1055008743 /nfs/dbraw/zinc/00/87/43/1055008743.db2.gz UFFIDULUXOCZHW-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182877490 1055015220 /nfs/dbraw/zinc/01/52/20/1055015220.db2.gz JIFLYWVIHDXJAD-CQSZACIVSA-N 2 2 303.837 4.152 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182877490 1055015235 /nfs/dbraw/zinc/01/52/35/1055015235.db2.gz JIFLYWVIHDXJAD-CQSZACIVSA-N 2 2 303.837 4.152 20 0 DIADLP c1ccc(-c2ccccc2C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236241592 1055027570 /nfs/dbraw/zinc/02/75/70/1055027570.db2.gz TVAXSMFYGKRXIF-FQEVSTJZSA-N 2 2 306.453 4.070 20 0 DIADLP c1ccc(-c2ccccc2C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236241592 1055027586 /nfs/dbraw/zinc/02/75/86/1055027586.db2.gz TVAXSMFYGKRXIF-FQEVSTJZSA-N 2 2 306.453 4.070 20 0 DIADLP c1cc(-c2cccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2)cs1 ZINC001236238362 1055027852 /nfs/dbraw/zinc/02/78/52/1055027852.db2.gz CSPOUJWQSDATLK-IBGZPJMESA-N 2 2 312.482 4.132 20 0 DIADLP c1cc(-c2cccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2)cs1 ZINC001236238362 1055027863 /nfs/dbraw/zinc/02/78/63/1055027863.db2.gz CSPOUJWQSDATLK-IBGZPJMESA-N 2 2 312.482 4.132 20 0 DIADLP C[C@@H](c1ccccc1Cl)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183171609 1055032945 /nfs/dbraw/zinc/03/29/45/1055032945.db2.gz GCXPRFSXZVLSON-AWEZNQCLSA-N 2 2 303.837 4.152 20 0 DIADLP C[C@@H](c1ccccc1Cl)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183171609 1055032956 /nfs/dbraw/zinc/03/29/56/1055032956.db2.gz GCXPRFSXZVLSON-AWEZNQCLSA-N 2 2 303.837 4.152 20 0 DIADLP Clc1csc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236301139 1055048724 /nfs/dbraw/zinc/04/87/24/1055048724.db2.gz WKWHOLUOTWKZAC-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Clc1csc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236301139 1055048737 /nfs/dbraw/zinc/04/87/37/1055048737.db2.gz WKWHOLUOTWKZAC-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP c1coc([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc2)c1 ZINC000183547830 1055049566 /nfs/dbraw/zinc/04/95/66/1055049566.db2.gz SOWNAYDTGNVJAJ-HXUWFJFHSA-N 2 2 321.424 4.246 20 0 DIADLP Cc1cc(F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236374217 1055080302 /nfs/dbraw/zinc/08/03/02/1055080302.db2.gz BOCBMIQJAILIBT-HNNXBMFYSA-N 2 2 322.443 4.017 20 0 DIADLP Cc1cc(F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236374217 1055080312 /nfs/dbraw/zinc/08/03/12/1055080312.db2.gz BOCBMIQJAILIBT-HNNXBMFYSA-N 2 2 322.443 4.017 20 0 DIADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1cccc(C[NH+](C)C)c1 ZINC001236419429 1055105809 /nfs/dbraw/zinc/10/58/09/1055105809.db2.gz PPLRCLDONNDCBY-UHFFFAOYSA-N 2 2 309.457 4.109 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236421018 1055107347 /nfs/dbraw/zinc/10/73/47/1055107347.db2.gz RQRHANMTKSCZNC-FXAWDEMLSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236421018 1055107352 /nfs/dbraw/zinc/10/73/52/1055107352.db2.gz RQRHANMTKSCZNC-FXAWDEMLSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421286 1055107727 /nfs/dbraw/zinc/10/77/27/1055107727.db2.gz SZQWPTPIHNLKDP-CXAGYDPISA-N 2 2 310.466 4.366 20 0 DIADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421286 1055107732 /nfs/dbraw/zinc/10/77/32/1055107732.db2.gz SZQWPTPIHNLKDP-CXAGYDPISA-N 2 2 310.466 4.366 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc1 ZINC001236447670 1055117748 /nfs/dbraw/zinc/11/77/48/1055117748.db2.gz KZLWWCCACWUCGO-UHFFFAOYSA-N 2 2 323.415 4.424 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1CCC[NH2+]C1 ZINC001236467502 1055128744 /nfs/dbraw/zinc/12/87/44/1055128744.db2.gz FWGSINITLZLOET-CQSZACIVSA-N 2 2 320.527 4.439 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1CCC[NH2+]C1 ZINC001236467502 1055128749 /nfs/dbraw/zinc/12/87/49/1055128749.db2.gz FWGSINITLZLOET-CQSZACIVSA-N 2 2 320.527 4.439 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2ccc(O)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236471252 1055129775 /nfs/dbraw/zinc/12/97/75/1055129775.db2.gz YVXDKYUGGBLLGZ-HXUWFJFHSA-N 2 2 324.468 4.022 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2ccc(O)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236471252 1055129785 /nfs/dbraw/zinc/12/97/85/1055129785.db2.gz YVXDKYUGGBLLGZ-HXUWFJFHSA-N 2 2 324.468 4.022 20 0 DIADLP CC(C)[N@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC001236528776 1055163334 /nfs/dbraw/zinc/16/33/34/1055163334.db2.gz HCKTYOSWEACGHD-SFHVURJKSA-N 2 2 312.432 4.065 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC001236528776 1055163337 /nfs/dbraw/zinc/16/33/37/1055163337.db2.gz HCKTYOSWEACGHD-SFHVURJKSA-N 2 2 312.432 4.065 20 0 DIADLP CC(C)[N@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236528774 1055163536 /nfs/dbraw/zinc/16/35/36/1055163536.db2.gz HCKTYOSWEACGHD-GOSISDBHSA-N 2 2 312.432 4.065 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236528774 1055163549 /nfs/dbraw/zinc/16/35/49/1055163549.db2.gz HCKTYOSWEACGHD-GOSISDBHSA-N 2 2 312.432 4.065 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000764593383 1055216869 /nfs/dbraw/zinc/21/68/69/1055216869.db2.gz AOIFBWHGDKAGIV-JSGCOSHPSA-N 2 2 314.445 4.136 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000764593383 1055216883 /nfs/dbraw/zinc/21/68/83/1055216883.db2.gz AOIFBWHGDKAGIV-JSGCOSHPSA-N 2 2 314.445 4.136 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000764593382 1055216968 /nfs/dbraw/zinc/21/69/68/1055216968.db2.gz AOIFBWHGDKAGIV-GXTWGEPZSA-N 2 2 314.445 4.136 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000764593382 1055216984 /nfs/dbraw/zinc/21/69/84/1055216984.db2.gz AOIFBWHGDKAGIV-GXTWGEPZSA-N 2 2 314.445 4.136 20 0 DIADLP Cc1c(F)ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1Cl ZINC001236712921 1055237336 /nfs/dbraw/zinc/23/73/36/1055237336.db2.gz BVEYVSFTIMOSEK-UHFFFAOYSA-N 2 2 312.860 4.092 20 0 DIADLP Cc1c(F)ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1Cl ZINC001236712921 1055237347 /nfs/dbraw/zinc/23/73/47/1055237347.db2.gz BVEYVSFTIMOSEK-UHFFFAOYSA-N 2 2 312.860 4.092 20 0 DIADLP Clc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1-n1cc[nH+]c1 ZINC001236915203 1055315067 /nfs/dbraw/zinc/31/50/67/1055315067.db2.gz ZUORYNANALYXMU-DOTOQJQBSA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1-n1cc[nH+]c1 ZINC001236915203 1055315084 /nfs/dbraw/zinc/31/50/84/1055315084.db2.gz ZUORYNANALYXMU-DOTOQJQBSA-N 2 2 315.848 4.290 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915945 1055315142 /nfs/dbraw/zinc/31/51/42/1055315142.db2.gz JDVLDRZPHJQTRB-OKILXGFUSA-N 2 2 303.837 4.004 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915945 1055315157 /nfs/dbraw/zinc/31/51/57/1055315157.db2.gz JDVLDRZPHJQTRB-OKILXGFUSA-N 2 2 303.837 4.004 20 0 DIADLP C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236923992 1055316368 /nfs/dbraw/zinc/31/63/68/1055316368.db2.gz XELKZWBDLYMMIZ-AWEZNQCLSA-N 2 2 303.837 4.290 20 0 DIADLP C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236923992 1055316382 /nfs/dbraw/zinc/31/63/82/1055316382.db2.gz XELKZWBDLYMMIZ-AWEZNQCLSA-N 2 2 303.837 4.290 20 0 DIADLP Clc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1-n1cc[nH+]c1 ZINC001236915210 1055316628 /nfs/dbraw/zinc/31/66/28/1055316628.db2.gz ZUORYNANALYXMU-WBVHZDCISA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1-n1cc[nH+]c1 ZINC001236915210 1055316636 /nfs/dbraw/zinc/31/66/36/1055316636.db2.gz ZUORYNANALYXMU-WBVHZDCISA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001236917139 1055319298 /nfs/dbraw/zinc/31/92/98/1055319298.db2.gz RJWNDTMUCXGGGB-KBXCAEBGSA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001236917139 1055319310 /nfs/dbraw/zinc/31/93/10/1055319310.db2.gz RJWNDTMUCXGGGB-KBXCAEBGSA-N 2 2 315.848 4.290 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)ccc1F ZINC000765249320 1055344809 /nfs/dbraw/zinc/34/48/09/1055344809.db2.gz GLNTUTFTFAIAKR-SJORKVTESA-N 2 2 321.415 4.317 20 0 DIADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785432514 1055377242 /nfs/dbraw/zinc/37/72/42/1055377242.db2.gz UQMNONKVUNVWRM-BEFAXECRSA-N 2 2 315.505 4.064 20 0 DIADLP Clc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237146505 1055385027 /nfs/dbraw/zinc/38/50/27/1055385027.db2.gz SMIWZHWNINJHEN-CQSZACIVSA-N 2 2 313.272 4.100 20 0 DIADLP Clc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237146505 1055385043 /nfs/dbraw/zinc/38/50/43/1055385043.db2.gz SMIWZHWNINJHEN-CQSZACIVSA-N 2 2 313.272 4.100 20 0 DIADLP c1c2ccccc2sc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155457 1055388369 /nfs/dbraw/zinc/38/83/69/1055388369.db2.gz PZCJFGQUUBQDPY-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP c1c2ccccc2sc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155457 1055388379 /nfs/dbraw/zinc/38/83/79/1055388379.db2.gz PZCJFGQUUBQDPY-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP c1oc2ccccc2c1C[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237310983 1055424999 /nfs/dbraw/zinc/42/49/99/1055424999.db2.gz MSFRCHKBQZDXHP-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP c1oc2ccccc2c1C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237310983 1055425005 /nfs/dbraw/zinc/42/50/05/1055425005.db2.gz MSFRCHKBQZDXHP-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001237363741 1055441037 /nfs/dbraw/zinc/44/10/37/1055441037.db2.gz MDOBCNFHGORZLE-UHFFFAOYSA-N 2 2 318.464 4.159 20 0 DIADLP c1cc2c(cccc2C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)o1 ZINC001237375474 1055444523 /nfs/dbraw/zinc/44/45/23/1055444523.db2.gz MVYQUZOGQNNALR-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237413146 1055450856 /nfs/dbraw/zinc/45/08/56/1055450856.db2.gz JMMUXBQGNZYYGW-YJBOKZPZSA-N 2 2 306.881 4.037 20 0 DIADLP CC(C)c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237413146 1055450862 /nfs/dbraw/zinc/45/08/62/1055450862.db2.gz JMMUXBQGNZYYGW-YJBOKZPZSA-N 2 2 306.881 4.037 20 0 DIADLP CC(C)[N@H+](Cc1cccc2c(F)cccc12)C1CC[NH+](C)CC1 ZINC001237524114 1055467471 /nfs/dbraw/zinc/46/74/71/1055467471.db2.gz CNVWHMYAZCGLSW-UHFFFAOYSA-N 2 2 314.448 4.284 20 0 DIADLP CC(C)[N@@H+](Cc1cccc2c(F)cccc12)C1CC[NH+](C)CC1 ZINC001237524114 1055467474 /nfs/dbraw/zinc/46/74/74/1055467474.db2.gz CNVWHMYAZCGLSW-UHFFFAOYSA-N 2 2 314.448 4.284 20 0 DIADLP C[C@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C ZINC001620902845 1055526878 /nfs/dbraw/zinc/52/68/78/1055526878.db2.gz VIGSLFLLIPPIDV-CQSZACIVSA-N 2 2 305.491 4.486 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](Cc3ccco3)C3CC3)cc21 ZINC001237888257 1055552713 /nfs/dbraw/zinc/55/27/13/1055552713.db2.gz BHRWAKHESNUMDI-UHFFFAOYSA-N 2 2 322.452 4.445 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](Cc3ccco3)C3CC3)cc21 ZINC001237888257 1055552723 /nfs/dbraw/zinc/55/27/23/1055552723.db2.gz BHRWAKHESNUMDI-UHFFFAOYSA-N 2 2 322.452 4.445 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114870 1055607853 /nfs/dbraw/zinc/60/78/53/1055607853.db2.gz YFYQAUBUGMVIIQ-SFHVURJKSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114870 1055607861 /nfs/dbraw/zinc/60/78/61/1055607861.db2.gz YFYQAUBUGMVIIQ-SFHVURJKSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114869 1055609060 /nfs/dbraw/zinc/60/90/60/1055609060.db2.gz YFYQAUBUGMVIIQ-GOSISDBHSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)cc1 ZINC001238114869 1055609062 /nfs/dbraw/zinc/60/90/62/1055609062.db2.gz YFYQAUBUGMVIIQ-GOSISDBHSA-N 2 2 311.816 4.325 20 0 DIADLP CC(C)[N@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238516627 1055676061 /nfs/dbraw/zinc/67/60/61/1055676061.db2.gz PQPVNHSMEYRPLE-UHFFFAOYSA-N 2 2 304.453 4.008 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238516627 1055676067 /nfs/dbraw/zinc/67/60/67/1055676067.db2.gz PQPVNHSMEYRPLE-UHFFFAOYSA-N 2 2 304.453 4.008 20 0 DIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(F)c1 ZINC000057621682 1055783654 /nfs/dbraw/zinc/78/36/54/1055783654.db2.gz JLRNMPFZDSUJIA-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(F)c1 ZINC000057621682 1055783667 /nfs/dbraw/zinc/78/36/67/1055783667.db2.gz JLRNMPFZDSUJIA-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccco2)C1 ZINC001615651215 1055928683 /nfs/dbraw/zinc/92/86/83/1055928683.db2.gz YUPXTASUXJJTCY-QFBILLFUSA-N 2 2 321.424 4.439 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccco2)C1 ZINC001615651215 1055928693 /nfs/dbraw/zinc/92/86/93/1055928693.db2.gz YUPXTASUXJJTCY-QFBILLFUSA-N 2 2 321.424 4.439 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001620784287 1055957233 /nfs/dbraw/zinc/95/72/33/1055957233.db2.gz BOCXJGHHXTUNAP-VQTJNVASSA-N 2 2 302.506 4.424 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001620784287 1055957241 /nfs/dbraw/zinc/95/72/41/1055957241.db2.gz BOCXJGHHXTUNAP-VQTJNVASSA-N 2 2 302.506 4.424 20 0 DIADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001620788301 1055964222 /nfs/dbraw/zinc/96/42/22/1055964222.db2.gz DARBMXZIBGOMDH-BHIYHBOVSA-N 2 2 318.505 4.053 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001621003385 1055971795 /nfs/dbraw/zinc/97/17/95/1055971795.db2.gz HAIRFKMOWUIZMA-GOSISDBHSA-N 2 2 312.501 4.404 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001621003385 1055971805 /nfs/dbraw/zinc/97/18/05/1055971805.db2.gz HAIRFKMOWUIZMA-GOSISDBHSA-N 2 2 312.501 4.404 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001621007537 1055974546 /nfs/dbraw/zinc/97/45/46/1055974546.db2.gz FDCXJSIUILDFSO-GOSISDBHSA-N 2 2 320.908 4.453 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001621007537 1055974559 /nfs/dbraw/zinc/97/45/59/1055974559.db2.gz FDCXJSIUILDFSO-GOSISDBHSA-N 2 2 320.908 4.453 20 0 DIADLP Cc1cc(C)c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1C ZINC001621045837 1056006704 /nfs/dbraw/zinc/00/67/04/1056006704.db2.gz JOTHDNIKERDVKQ-OAQYLSRUSA-N 2 2 319.452 4.339 20 0 DIADLP Clc1csc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001621045951 1056006786 /nfs/dbraw/zinc/00/67/86/1056006786.db2.gz NDPGFTLGRQFBQB-MRXNPFEDSA-N 2 2 317.845 4.129 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001239661710 1056010389 /nfs/dbraw/zinc/01/03/89/1056010389.db2.gz MWCYNMNYADSMNJ-SFHVURJKSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001239661710 1056010399 /nfs/dbraw/zinc/01/03/99/1056010399.db2.gz MWCYNMNYADSMNJ-SFHVURJKSA-N 2 2 324.468 4.019 20 0 DIADLP CC[C@@H](C)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347648046 1056265912 /nfs/dbraw/zinc/26/59/12/1056265912.db2.gz GGDFHBFKFAYHPS-OAHLLOKOSA-N 2 2 317.502 4.005 20 0 DIADLP CC[C@@H](C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347648046 1056265927 /nfs/dbraw/zinc/26/59/27/1056265927.db2.gz GGDFHBFKFAYHPS-OAHLLOKOSA-N 2 2 317.502 4.005 20 0 DIADLP Fc1cc(C[NH2+]C(C2CCC2)C2CCC2)ccc1-n1cc[nH+]c1 ZINC000338689884 1056313104 /nfs/dbraw/zinc/31/31/04/1056313104.db2.gz BSRSWHSGRVCYEN-UHFFFAOYSA-N 2 2 313.420 4.070 20 0 DIADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474471153 1056316027 /nfs/dbraw/zinc/31/60/27/1056316027.db2.gz AZUXATZKZGKAGC-FHERZECASA-N 2 2 320.443 4.065 20 0 DIADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[NH+](C)C ZINC000474487362 1056317796 /nfs/dbraw/zinc/31/77/96/1056317796.db2.gz JXDJNDCFVHVYKM-LBDPXKHJSA-N 2 2 322.459 4.310 20 0 DIADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713460 1056340392 /nfs/dbraw/zinc/34/03/92/1056340392.db2.gz XFTUQHIZPGKHEV-LMPOIIKSSA-N 2 2 320.443 4.208 20 0 DIADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713460 1056340404 /nfs/dbraw/zinc/34/04/04/1056340404.db2.gz XFTUQHIZPGKHEV-LMPOIIKSSA-N 2 2 320.443 4.208 20 0 DIADLP Cc1cn2c(cccc2-c2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC001240169274 1056361642 /nfs/dbraw/zinc/36/16/42/1056361642.db2.gz LTNMHWRWMHZUGC-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP Cc1c(-c2cccc(C[NH+]3CCCCC3)c2)ccc2[nH+]ccn21 ZINC001240174517 1056363671 /nfs/dbraw/zinc/36/36/71/1056363671.db2.gz NYNSISSNQRNPRX-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP c1cn(-c2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC001240388036 1056472274 /nfs/dbraw/zinc/47/22/74/1056472274.db2.gz ZGSBJVCYAYKCCC-UHFFFAOYSA-N 2 2 315.420 4.162 20 0 DIADLP c1cn(-c2ccc(C3=CCC[N@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC001240388036 1056472282 /nfs/dbraw/zinc/47/22/82/1056472282.db2.gz ZGSBJVCYAYKCCC-UHFFFAOYSA-N 2 2 315.420 4.162 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896731 1056593436 /nfs/dbraw/zinc/59/34/36/1056593436.db2.gz ZOIJIJLQSBSHEG-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896731 1056593447 /nfs/dbraw/zinc/59/34/47/1056593447.db2.gz ZOIJIJLQSBSHEG-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896731 1056593456 /nfs/dbraw/zinc/59/34/56/1056593456.db2.gz ZOIJIJLQSBSHEG-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC001615896731 1056593466 /nfs/dbraw/zinc/59/34/66/1056593466.db2.gz ZOIJIJLQSBSHEG-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CCc1c(C)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC001240740423 1056671935 /nfs/dbraw/zinc/67/19/35/1056671935.db2.gz AUVHYVLPJSSJOW-LJQANCHMSA-N 2 2 308.469 4.066 20 0 DIADLP CCc1c(C)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC001240740423 1056671939 /nfs/dbraw/zinc/67/19/39/1056671939.db2.gz AUVHYVLPJSSJOW-LJQANCHMSA-N 2 2 308.469 4.066 20 0 DIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC001616824850 1056723400 /nfs/dbraw/zinc/72/34/00/1056723400.db2.gz TVFHXBXTHCEWBF-WOJBJXKFSA-N 2 2 320.496 4.245 20 0 DIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC001616824850 1056723413 /nfs/dbraw/zinc/72/34/13/1056723413.db2.gz TVFHXBXTHCEWBF-WOJBJXKFSA-N 2 2 320.496 4.245 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4ccccc4c3)c2)C1 ZINC001240911742 1056756851 /nfs/dbraw/zinc/75/68/51/1056756851.db2.gz XWZZZAZJTGYKST-NRFANRHFSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4ccccc4c3)c2)C1 ZINC001240911742 1056756862 /nfs/dbraw/zinc/75/68/62/1056756862.db2.gz XWZZZAZJTGYKST-NRFANRHFSA-N 2 2 302.421 4.040 20 0 DIADLP Cc1ccccc1-c1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000078527852 1056851284 /nfs/dbraw/zinc/85/12/84/1056851284.db2.gz LWIAGXYNQCYWRV-QGZVFWFLSA-N 2 2 319.452 4.284 20 0 DIADLP CC(C)(C)c1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241301619 1057004336 /nfs/dbraw/zinc/00/43/36/1057004336.db2.gz DJDQIPDOKBVVJB-IBGZPJMESA-N 2 2 308.469 4.184 20 0 DIADLP CC(C)(C)c1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241301619 1057004341 /nfs/dbraw/zinc/00/43/41/1057004341.db2.gz DJDQIPDOKBVVJB-IBGZPJMESA-N 2 2 308.469 4.184 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359946315 1057016560 /nfs/dbraw/zinc/01/65/60/1057016560.db2.gz ZCNQQBXFKJBUNE-HRCADAONSA-N 2 2 322.905 4.093 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359946315 1057016565 /nfs/dbraw/zinc/01/65/65/1057016565.db2.gz ZCNQQBXFKJBUNE-HRCADAONSA-N 2 2 322.905 4.093 20 0 DIADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC(C)(C)[NH+](C)C ZINC000673598930 1057042288 /nfs/dbraw/zinc/04/22/88/1057042288.db2.gz CJIQFNHUTUIIOL-LCYFTJDESA-N 2 2 314.395 4.039 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094324 1057263835 /nfs/dbraw/zinc/26/38/35/1057263835.db2.gz YHKCJNCUYVTADL-JXFKEZNVSA-N 2 2 323.484 4.272 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094324 1057263841 /nfs/dbraw/zinc/26/38/41/1057263841.db2.gz YHKCJNCUYVTADL-JXFKEZNVSA-N 2 2 323.484 4.272 20 0 DIADLP Fc1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1-n1cc[nH+]c1 ZINC001242120204 1057269180 /nfs/dbraw/zinc/26/91/80/1057269180.db2.gz ZVTAASILWLICFI-UHFFFAOYSA-N 2 2 321.399 4.274 20 0 DIADLP CCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000675817571 1057418768 /nfs/dbraw/zinc/41/87/68/1057418768.db2.gz VEMFXKUTNMJBKT-UZLBHIALSA-N 2 2 320.440 4.459 20 0 DIADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918216 1057430914 /nfs/dbraw/zinc/43/09/14/1057430914.db2.gz FHNREIGHXUELOD-VQTJNVASSA-N 2 2 319.452 4.445 20 0 DIADLP CCc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917778 1057431188 /nfs/dbraw/zinc/43/11/88/1057431188.db2.gz DNYTYOADGXEHIJ-MAUKXSAKSA-N 2 2 323.440 4.210 20 0 DIADLP Cn1c[nH+]cc1-c1cccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001242694406 1057450678 /nfs/dbraw/zinc/45/06/78/1057450678.db2.gz PNMNACJOVFPQPO-LJQANCHMSA-N 2 2 307.441 4.119 20 0 DIADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000676253225 1057460520 /nfs/dbraw/zinc/46/05/20/1057460520.db2.gz ZQQDOYPWQGSMBO-IRXDYDNUSA-N 2 2 306.519 4.020 20 0 DIADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000676253225 1057460524 /nfs/dbraw/zinc/46/05/24/1057460524.db2.gz ZQQDOYPWQGSMBO-IRXDYDNUSA-N 2 2 306.519 4.020 20 0 DIADLP CC[NH+](CC)Cc1ccccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001243337759 1057651138 /nfs/dbraw/zinc/65/11/38/1057651138.db2.gz FXNKGRVQGLGZFR-UHFFFAOYSA-N 2 2 305.425 4.381 20 0 DIADLP CC(C)CC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766188941 1057658666 /nfs/dbraw/zinc/65/86/66/1057658666.db2.gz DLNKWYFZHDBPCK-KRWDZBQOSA-N 2 2 317.521 4.136 20 0 DIADLP CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766188762 1057660927 /nfs/dbraw/zinc/66/09/27/1057660927.db2.gz ABBUSXYFMPQJFY-QGZVFWFLSA-N 2 2 317.521 4.280 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000531956437 1057672132 /nfs/dbraw/zinc/67/21/32/1057672132.db2.gz OGPUNKSRCXIWDZ-HNNXBMFYSA-N 2 2 321.877 4.143 20 0 DIADLP c1cn(Cc2ccc(-c3ccc(C4=[NH+]CCC4)cc3)cc2)c[nH+]1 ZINC001243658785 1057746579 /nfs/dbraw/zinc/74/65/79/1057746579.db2.gz KQLUVNOFWLBSMN-UHFFFAOYSA-N 2 2 301.393 4.181 20 0 DIADLP C[N@@H+]1CC[C@H](c2ccc(-c3ccc(-c4[nH]cc[nH+]4)cc3)cc2)C1 ZINC001243979456 1057828020 /nfs/dbraw/zinc/82/80/20/1057828020.db2.gz KOHMOIMAHLRCFD-IBGZPJMESA-N 2 2 303.409 4.163 20 0 DIADLP C[N@H+]1CC[C@H](c2ccc(-c3ccc(-c4[nH]cc[nH+]4)cc3)cc2)C1 ZINC001243979456 1057828021 /nfs/dbraw/zinc/82/80/21/1057828021.db2.gz KOHMOIMAHLRCFD-IBGZPJMESA-N 2 2 303.409 4.163 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244123714 1057876827 /nfs/dbraw/zinc/87/68/27/1057876827.db2.gz MFAHCPQYJIOJOL-UHFFFAOYSA-N 2 2 321.399 4.013 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244129433 1057879802 /nfs/dbraw/zinc/87/98/02/1057879802.db2.gz REZXUWJBBCMBQU-LJQANCHMSA-N 2 2 324.443 4.212 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244129433 1057879805 /nfs/dbraw/zinc/87/98/05/1057879805.db2.gz REZXUWJBBCMBQU-LJQANCHMSA-N 2 2 324.443 4.212 20 0 DIADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1C(C)C ZINC001244134134 1057882691 /nfs/dbraw/zinc/88/26/91/1057882691.db2.gz MIWCYALDRSZSJN-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1C(C)C ZINC001244134134 1057882696 /nfs/dbraw/zinc/88/26/96/1057882696.db2.gz MIWCYALDRSZSJN-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(Cl)c3Cl)c2)C1 ZINC001245097242 1058112109 /nfs/dbraw/zinc/11/21/09/1058112109.db2.gz CVCHNCNUTDGJTM-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(Cl)c3Cl)c2)C1 ZINC001245097242 1058112113 /nfs/dbraw/zinc/11/21/13/1058112113.db2.gz CVCHNCNUTDGJTM-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(Cl)c3Cl)c2)C1 ZINC001245097240 1058112317 /nfs/dbraw/zinc/11/23/17/1058112317.db2.gz CVCHNCNUTDGJTM-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(Cl)c3Cl)c2)C1 ZINC001245097240 1058112320 /nfs/dbraw/zinc/11/23/20/1058112320.db2.gz CVCHNCNUTDGJTM-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)cc2)C1 ZINC001245097336 1058112325 /nfs/dbraw/zinc/11/23/25/1058112325.db2.gz FGQXIYNDRCQFCX-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3Cl)cc2)C1 ZINC001245097336 1058112328 /nfs/dbraw/zinc/11/23/28/1058112328.db2.gz FGQXIYNDRCQFCX-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245196614 1058126554 /nfs/dbraw/zinc/12/65/54/1058126554.db2.gz IQMXXOPPIZIERD-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP C[NH+](C)Cc1c(F)cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1F ZINC001245356347 1058151122 /nfs/dbraw/zinc/15/11/22/1058151122.db2.gz KSOZCJVMQDBMLE-IBGZPJMESA-N 2 2 316.395 4.118 20 0 DIADLP Cn1c[nH+]cc1-c1cccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001245357868 1058151540 /nfs/dbraw/zinc/15/15/40/1058151540.db2.gz VGQLDZTVSDBXSB-LJQANCHMSA-N 2 2 303.409 4.179 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246073845 1058663970 /nfs/dbraw/zinc/66/39/70/1058663970.db2.gz AIFWJZSOYZUPIJ-SJCJKPOMSA-N 2 2 323.267 4.214 20 0 DIADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246074765 1058667497 /nfs/dbraw/zinc/66/74/97/1058667497.db2.gz QIGCXVLSTWYBRU-IAQYHMDHSA-N 2 2 315.288 4.250 20 0 DIADLP CC(C)(C)C1CCC([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)CC1 ZINC001246140031 1058695422 /nfs/dbraw/zinc/69/54/22/1058695422.db2.gz DSSYTMVFZAMRAA-GMNCBBECSA-N 2 2 300.490 4.284 20 0 DIADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001246145421 1058696634 /nfs/dbraw/zinc/69/66/34/1058696634.db2.gz WSMFEWBLMZRJCF-MBDNFAEBSA-N 2 2 320.480 4.406 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1F ZINC001246157444 1058701224 /nfs/dbraw/zinc/70/12/24/1058701224.db2.gz BCUJZFLSOAXHOM-WFASDCNBSA-N 2 2 312.860 4.044 20 0 DIADLP Fc1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246163952 1058709056 /nfs/dbraw/zinc/70/90/56/1058709056.db2.gz RIMDRJCULRJILO-DOTOQJQBSA-N 2 2 318.823 4.062 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246164247 1058710547 /nfs/dbraw/zinc/71/05/47/1058710547.db2.gz ULNKKJGTPQTVQE-UONOGXRCSA-N 2 2 312.860 4.188 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246170474 1058713131 /nfs/dbraw/zinc/71/31/31/1058713131.db2.gz KPXHJGSJPGWVDU-QDMKHBRRSA-N 2 2 315.288 4.392 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246175073 1058719686 /nfs/dbraw/zinc/71/96/86/1058719686.db2.gz XWOOVRRJQZVLGU-CABCVRRESA-N 2 2 315.288 4.394 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246178196 1058723365 /nfs/dbraw/zinc/72/33/65/1058723365.db2.gz XUTISXXRIGTSLF-JSGCOSHPSA-N 2 2 315.288 4.250 20 0 DIADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246178192 1058724195 /nfs/dbraw/zinc/72/41/95/1058724195.db2.gz XUTISXXRIGTSLF-GXTWGEPZSA-N 2 2 315.288 4.250 20 0 DIADLP CC[C@H]1CC([NH2+]C2(c3ccccc3Cl)CC2)C[C@H](CC)[NH2+]1 ZINC001246208581 1058743182 /nfs/dbraw/zinc/74/31/82/1058743182.db2.gz BVQVLHAGWNRWRS-KBPBESRZSA-N 2 2 306.881 4.228 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246228278 1058748863 /nfs/dbraw/zinc/74/88/63/1058748863.db2.gz WZSQWTQZIGWGSR-STQMWFEESA-N 2 2 316.823 4.019 20 0 DIADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1Cl ZINC001246230895 1058753763 /nfs/dbraw/zinc/75/37/63/1058753763.db2.gz APZGVASJTDDQIK-DOTOQJQBSA-N 2 2 318.823 4.062 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C[C@H](CC)[NH2+]1 ZINC001246233776 1058755922 /nfs/dbraw/zinc/75/59/22/1058755922.db2.gz DZYBJJAMEAQPBG-PXCRPINLSA-N 2 2 323.484 4.070 20 0 DIADLP C[C@@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)c1c(Cl)cccc1Cl ZINC001246255229 1058775439 /nfs/dbraw/zinc/77/54/39/1058775439.db2.gz UNZMIEOVUDHCQI-GMTAPVOTSA-N 2 2 301.261 4.173 20 0 DIADLP c1ccc2c(c1)Oc1ccccc1C2[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246328594 1058836857 /nfs/dbraw/zinc/83/68/57/1058836857.db2.gz ZPGUVUZAOYFACV-ZSHCYNCHSA-N 2 2 320.436 4.144 20 0 DIADLP c1ccc2c(c1)Oc1ccccc1C2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246327559 1058837546 /nfs/dbraw/zinc/83/75/46/1058837546.db2.gz SSDOYXNKCSELBB-OAHLLOKOSA-N 2 2 320.436 4.146 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1)c1c(Cl)cccc1Cl ZINC001246326393 1058839922 /nfs/dbraw/zinc/83/99/22/1058839922.db2.gz UNZMIEOVUDHCQI-GARJFASQSA-N 2 2 301.261 4.173 20 0 DIADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c2ccccc2)cc1 ZINC001246338903 1058846727 /nfs/dbraw/zinc/84/67/27/1058846727.db2.gz NFWYEJSSSIINCJ-UIFIKXQLSA-N 2 2 308.469 4.009 20 0 DIADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc2)cc1 ZINC001246338900 1058847796 /nfs/dbraw/zinc/84/77/96/1058847796.db2.gz NFWYEJSSSIINCJ-QMMLZNLJSA-N 2 2 308.469 4.009 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC[NH2+]1 ZINC001246347453 1058858869 /nfs/dbraw/zinc/85/88/69/1058858869.db2.gz PPMGEGJRQKXPKU-VXGBXAGGSA-N 2 2 321.679 4.267 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246347465 1058863333 /nfs/dbraw/zinc/86/33/33/1058863333.db2.gz HDPUCBKESOGGII-ZNMIVQPWSA-N 2 2 310.432 4.235 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(F)c1F ZINC001246376848 1058884388 /nfs/dbraw/zinc/88/43/88/1058884388.db2.gz CBMPJTRGXYAALN-ZIAGYGMSSA-N 2 2 308.416 4.070 20 0 DIADLP Cc1cccc(C2([NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246409979 1058911802 /nfs/dbraw/zinc/91/18/02/1058911802.db2.gz VQXPSPNDXJYNCQ-WBVHZDCISA-N 2 2 322.443 4.130 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001246470130 1058957052 /nfs/dbraw/zinc/95/70/52/1058957052.db2.gz VHVOCRIMHGRFCE-KCXAZCMYSA-N 2 2 310.432 4.172 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2Cl)CC[NH2+]1 ZINC001246485893 1058961598 /nfs/dbraw/zinc/96/15/98/1058961598.db2.gz BKJBEYWCZZRWHG-MGPQQGTHSA-N 2 2 312.860 4.441 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)c(Cl)c1 ZINC001246487472 1058966417 /nfs/dbraw/zinc/96/64/17/1058966417.db2.gz FUMFFOBXZDLWMD-ZYHUDNBSSA-N 2 2 320.786 4.152 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536174 1058985672 /nfs/dbraw/zinc/98/56/72/1058985672.db2.gz CRLHWSJBCLXAKP-MSOLQXFVSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536174 1058985691 /nfs/dbraw/zinc/98/56/91/1058985691.db2.gz CRLHWSJBCLXAKP-MSOLQXFVSA-N 2 2 306.881 4.009 20 0 DIADLP CC(C)[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538944 1058994629 /nfs/dbraw/zinc/99/46/29/1058994629.db2.gz PMRDIERKIZEOAQ-HOCLYGCPSA-N 2 2 315.288 4.202 20 0 DIADLP CC(C)[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538944 1058994647 /nfs/dbraw/zinc/99/46/47/1058994647.db2.gz PMRDIERKIZEOAQ-HOCLYGCPSA-N 2 2 315.288 4.202 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246579080 1059011461 /nfs/dbraw/zinc/01/14/61/1059011461.db2.gz XWQFMQWQCPESKA-NZSAHSFTSA-N 2 2 322.443 4.141 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246579080 1059011486 /nfs/dbraw/zinc/01/14/86/1059011486.db2.gz XWQFMQWQCPESKA-NZSAHSFTSA-N 2 2 322.443 4.141 20 0 DIADLP c1ccc2c(c1)C[N@@H+](C1CCC3(CCCC3)CC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246618747 1059031725 /nfs/dbraw/zinc/03/17/25/1059031725.db2.gz KRFKILPZFUSBSB-PMACEKPBSA-N 2 2 310.485 4.061 20 0 DIADLP c1ccc2c(c1)C[N@H+](C1CCC3(CCCC3)CC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246618747 1059031749 /nfs/dbraw/zinc/03/17/49/1059031749.db2.gz KRFKILPZFUSBSB-PMACEKPBSA-N 2 2 310.485 4.061 20 0 DIADLP C[N@H+](Cc1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246809911 1059105057 /nfs/dbraw/zinc/10/50/57/1059105057.db2.gz JNSUQCFSAOGQFG-ZDUSSCGKSA-N 2 2 313.272 4.100 20 0 DIADLP C[N@@H+](Cc1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246809911 1059105067 /nfs/dbraw/zinc/10/50/67/1059105067.db2.gz JNSUQCFSAOGQFG-ZDUSSCGKSA-N 2 2 313.272 4.100 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246848805 1059126812 /nfs/dbraw/zinc/12/68/12/1059126812.db2.gz OHYOCDHLNVRCLC-TZIWHRDSSA-N 2 2 324.443 4.027 20 0 DIADLP C[NH2+]CC[C@@H](C)[N@H+](Cc1ccc(Cl)cc1Cl)C(C)C ZINC001246886260 1059150356 /nfs/dbraw/zinc/15/03/56/1059150356.db2.gz ZRLGTHPSNMDGJL-GFCCVEGCSA-N 2 2 303.277 4.202 20 0 DIADLP C[NH2+]CC[C@@H](C)[N@@H+](Cc1ccc(Cl)cc1Cl)C(C)C ZINC001246886260 1059150370 /nfs/dbraw/zinc/15/03/70/1059150370.db2.gz ZRLGTHPSNMDGJL-GFCCVEGCSA-N 2 2 303.277 4.202 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886143 1059147938 /nfs/dbraw/zinc/14/79/38/1059147938.db2.gz JVYAURPWWYOCSY-GPMSIDNRSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886143 1059147947 /nfs/dbraw/zinc/14/79/47/1059147947.db2.gz JVYAURPWWYOCSY-GPMSIDNRSA-N 2 2 322.443 4.413 20 0 DIADLP Clc1ccc(SC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246883594 1059148510 /nfs/dbraw/zinc/14/85/10/1059148510.db2.gz XHYQXXVQLZIGTJ-HNNXBMFYSA-N 2 2 324.921 4.039 20 0 DIADLP CC[N@H+](Cc1cccc(F)c1F)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246906553 1059166785 /nfs/dbraw/zinc/16/67/85/1059166785.db2.gz FGHBVAZDWGAEGY-MRXNPFEDSA-N 2 2 322.443 4.242 20 0 DIADLP CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246906553 1059166802 /nfs/dbraw/zinc/16/68/02/1059166802.db2.gz FGHBVAZDWGAEGY-MRXNPFEDSA-N 2 2 322.443 4.242 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246909642 1059172550 /nfs/dbraw/zinc/17/25/50/1059172550.db2.gz GLGKQYNQPDHIMN-RYUDHWBXSA-N 2 2 315.288 4.344 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246909642 1059172555 /nfs/dbraw/zinc/17/25/55/1059172555.db2.gz GLGKQYNQPDHIMN-RYUDHWBXSA-N 2 2 315.288 4.344 20 0 DIADLP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246919724 1059174980 /nfs/dbraw/zinc/17/49/80/1059174980.db2.gz KAXVHUJDJSWZTK-CGXNFDGLSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246919724 1059174996 /nfs/dbraw/zinc/17/49/96/1059174996.db2.gz KAXVHUJDJSWZTK-CGXNFDGLSA-N 2 2 312.501 4.004 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950048 1059192696 /nfs/dbraw/zinc/19/26/96/1059192696.db2.gz RQQSDCWTCSGTNK-QWFCFKBJSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950048 1059192709 /nfs/dbraw/zinc/19/27/09/1059192709.db2.gz RQQSDCWTCSGTNK-QWFCFKBJSA-N 2 2 317.521 4.096 20 0 DIADLP CCCC[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246950248 1059193607 /nfs/dbraw/zinc/19/36/07/1059193607.db2.gz WHJFBFOEQDZRAO-FRQCXROJSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246950248 1059193618 /nfs/dbraw/zinc/19/36/18/1059193618.db2.gz WHJFBFOEQDZRAO-FRQCXROJSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246950251 1059194087 /nfs/dbraw/zinc/19/40/87/1059194087.db2.gz WHJFBFOEQDZRAO-TXPKVOOTSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246950251 1059194098 /nfs/dbraw/zinc/19/40/98/1059194098.db2.gz WHJFBFOEQDZRAO-TXPKVOOTSA-N 2 2 322.443 4.413 20 0 DIADLP CCC[C@H](C)CC[C@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951429 1059194141 /nfs/dbraw/zinc/19/41/41/1059194141.db2.gz ZKFXMIPJJHINNV-CMKODMSKSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@H](C)CC[C@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951429 1059194156 /nfs/dbraw/zinc/19/41/56/1059194156.db2.gz ZKFXMIPJJHINNV-CMKODMSKSA-N 2 2 317.521 4.241 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950046 1059194270 /nfs/dbraw/zinc/19/42/70/1059194270.db2.gz RQQSDCWTCSGTNK-CMKODMSKSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950046 1059194286 /nfs/dbraw/zinc/19/42/86/1059194286.db2.gz RQQSDCWTCSGTNK-CMKODMSKSA-N 2 2 317.521 4.096 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951431 1059196313 /nfs/dbraw/zinc/19/63/13/1059196313.db2.gz ZKFXMIPJJHINNV-QWFCFKBJSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951431 1059196332 /nfs/dbraw/zinc/19/63/32/1059196332.db2.gz ZKFXMIPJJHINNV-QWFCFKBJSA-N 2 2 317.521 4.241 20 0 DIADLP CC[C@H]1CC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961630 1059207946 /nfs/dbraw/zinc/20/79/46/1059207946.db2.gz GZOJYHMNIFAECL-HOCLYGCPSA-N 2 2 322.443 4.098 20 0 DIADLP CC[C@H]1CC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961630 1059207967 /nfs/dbraw/zinc/20/79/67/1059207967.db2.gz GZOJYHMNIFAECL-HOCLYGCPSA-N 2 2 322.443 4.098 20 0 DIADLP FC(F)(F)C1CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974400 1059215116 /nfs/dbraw/zinc/21/51/16/1059215116.db2.gz ADGNFSBKVKIQDF-BCLQGDPASA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)C1CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974400 1059215135 /nfs/dbraw/zinc/21/51/35/1059215135.db2.gz ADGNFSBKVKIQDF-BCLQGDPASA-N 2 2 318.427 4.104 20 0 DIADLP c1ccc(-c2ccc(C3CC[NH+]([C@H]4CCC[NH2+]C4)CC3)cc2)cc1 ZINC001246987290 1059229655 /nfs/dbraw/zinc/22/96/55/1059229655.db2.gz FJIDRTISJVSPHC-QFIPXVFZSA-N 2 2 320.480 4.285 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC12CCCCC2 ZINC001559657665 1059486623 /nfs/dbraw/zinc/48/66/23/1059486623.db2.gz NUTYYIAOEAPACQ-UHFFFAOYSA-N 2 2 309.457 4.479 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC12CCCCC2 ZINC001559657665 1059486632 /nfs/dbraw/zinc/48/66/32/1059486632.db2.gz NUTYYIAOEAPACQ-UHFFFAOYSA-N 2 2 309.457 4.479 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044094 1059855379 /nfs/dbraw/zinc/85/53/79/1059855379.db2.gz UIOMFSDWRORESG-SQNIBIBYSA-N 2 2 306.881 4.065 20 0 DIADLP CCC1([NH+](C)C)CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001560048538 1059861351 /nfs/dbraw/zinc/86/13/51/1059861351.db2.gz SEGCKWIYNLUIMT-KRWDZBQOSA-N 2 2 306.881 4.134 20 0 DIADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)CC1 ZINC001560069470 1059883895 /nfs/dbraw/zinc/88/38/95/1059883895.db2.gz SZFIEWHLKCLZGB-QGZVFWFLSA-N 2 2 322.443 4.051 20 0 DIADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)CC1 ZINC001560069470 1059883928 /nfs/dbraw/zinc/88/39/28/1059883928.db2.gz SZFIEWHLKCLZGB-QGZVFWFLSA-N 2 2 322.443 4.051 20 0 DIADLP CC1(C)CCCC[C@@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560098567 1059908273 /nfs/dbraw/zinc/90/82/73/1059908273.db2.gz KTQBABJVDHXZFS-MOPGFXCFSA-N 2 2 311.473 4.430 20 0 DIADLP C=C/C=C/CC[N@@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560219972 1059996049 /nfs/dbraw/zinc/99/60/49/1059996049.db2.gz ZGZJESPBOXQCOC-AATRIKPKSA-N 2 2 312.501 4.495 20 0 DIADLP C=C/C=C/CC[N@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560219972 1059996070 /nfs/dbraw/zinc/99/60/70/1059996070.db2.gz ZGZJESPBOXQCOC-AATRIKPKSA-N 2 2 312.501 4.495 20 0 DIADLP Cn1c[nH+]cc1C1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC001560234283 1060006268 /nfs/dbraw/zinc/00/62/68/1060006268.db2.gz ZDSZKEPWJKSOLI-UHFFFAOYSA-N 2 2 317.521 4.452 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246359 1060010746 /nfs/dbraw/zinc/01/07/46/1060010746.db2.gz YCCMVMQZVZMUBH-PXNSSMCTSA-N 2 2 316.533 4.237 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246359 1060010768 /nfs/dbraw/zinc/01/07/68/1060010768.db2.gz YCCMVMQZVZMUBH-PXNSSMCTSA-N 2 2 316.533 4.237 20 0 DIADLP Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1Cl ZINC001560311434 1060099342 /nfs/dbraw/zinc/09/93/42/1060099342.db2.gz SIGGHOZPUFBCIB-UHFFFAOYSA-N 2 2 303.837 4.025 20 0 DIADLP CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560311271 1060099817 /nfs/dbraw/zinc/09/98/17/1060099817.db2.gz NSIMQZONQOPNSX-RHSMWYFYSA-N 2 2 303.475 4.382 20 0 DIADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560311270 1060099902 /nfs/dbraw/zinc/09/99/02/1060099902.db2.gz NSIMQZONQOPNSX-PBHICJAKSA-N 2 2 303.475 4.382 20 0 DIADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560325674 1060111958 /nfs/dbraw/zinc/11/19/58/1060111958.db2.gz SCZRMTHHENLAET-WDSOQIARSA-N 2 2 300.490 4.208 20 0 DIADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560325674 1060111970 /nfs/dbraw/zinc/11/19/70/1060111970.db2.gz SCZRMTHHENLAET-WDSOQIARSA-N 2 2 300.490 4.208 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@H](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC001560333249 1060118059 /nfs/dbraw/zinc/11/80/59/1060118059.db2.gz OAOUGHNLRHSCBE-LJQANCHMSA-N 2 2 323.465 4.045 20 0 DIADLP CC(C)[NH+](CCC[NH2+]Cc1ccsc1C(F)(F)F)C(C)C ZINC001560366831 1060153695 /nfs/dbraw/zinc/15/36/95/1060153695.db2.gz RGRIOUHZQYOKBB-UHFFFAOYSA-N 2 2 322.440 4.365 20 0 DIADLP CC[N@@H+](c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1)C(C)C ZINC001560390565 1060177037 /nfs/dbraw/zinc/17/70/37/1060177037.db2.gz HABRURHBMVSLSB-UHFFFAOYSA-N 2 2 322.456 4.490 20 0 DIADLP CC[N@H+](c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1)C(C)C ZINC001560390565 1060177048 /nfs/dbraw/zinc/17/70/48/1060177048.db2.gz HABRURHBMVSLSB-UHFFFAOYSA-N 2 2 322.456 4.490 20 0 DIADLP CCSc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001249437466 1060248749 /nfs/dbraw/zinc/24/87/49/1060248749.db2.gz PLEGCBXOYFDJBA-UHFFFAOYSA-N 2 2 318.530 4.249 20 0 DIADLP CCSc1ccccc1C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001249439165 1060253827 /nfs/dbraw/zinc/25/38/27/1060253827.db2.gz GYJVAGRUXVQFPA-UHFFFAOYSA-N 2 2 306.519 4.105 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001560535040 1060338581 /nfs/dbraw/zinc/33/85/81/1060338581.db2.gz DSBJSRWWDBMXIN-KRWDZBQOSA-N 2 2 314.498 4.398 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001560535040 1060338604 /nfs/dbraw/zinc/33/86/04/1060338604.db2.gz DSBJSRWWDBMXIN-KRWDZBQOSA-N 2 2 314.498 4.398 20 0 DIADLP c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2)cc1 ZINC001560553624 1060365225 /nfs/dbraw/zinc/36/52/25/1060365225.db2.gz NUZYLHCGOUTQCN-QFIPXVFZSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2)cc1 ZINC001560553624 1060365243 /nfs/dbraw/zinc/36/52/43/1060365243.db2.gz NUZYLHCGOUTQCN-QFIPXVFZSA-N 2 2 320.480 4.460 20 0 DIADLP Cc1cc(Oc2ccc(Nc3c[nH+]c(N)c(C)c3)cc2)cc[nH+]1 ZINC001249790655 1060404652 /nfs/dbraw/zinc/40/46/52/1060404652.db2.gz NRQHHLNEXYYCLY-UHFFFAOYSA-N 2 2 306.369 4.212 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001560615370 1060430488 /nfs/dbraw/zinc/43/04/88/1060430488.db2.gz NTVWQJQZSOFZBC-PMACEKPBSA-N 2 2 314.517 4.424 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001560615370 1060430495 /nfs/dbraw/zinc/43/04/95/1060430495.db2.gz NTVWQJQZSOFZBC-PMACEKPBSA-N 2 2 314.517 4.424 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(CC4CCC4)c3)C2)[nH]1 ZINC001560628951 1060441152 /nfs/dbraw/zinc/44/11/52/1060441152.db2.gz YZGMRPXXHOVVRW-IBGZPJMESA-N 2 2 309.457 4.132 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(CC4CCC4)c3)C2)[nH]1 ZINC001560628951 1060441160 /nfs/dbraw/zinc/44/11/60/1060441160.db2.gz YZGMRPXXHOVVRW-IBGZPJMESA-N 2 2 309.457 4.132 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644097 1060464144 /nfs/dbraw/zinc/46/41/44/1060464144.db2.gz HTCKFMRCHZILTO-IVAOSVALSA-N 2 2 312.501 4.055 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644097 1060464149 /nfs/dbraw/zinc/46/41/49/1060464149.db2.gz HTCKFMRCHZILTO-IVAOSVALSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644097 1060464151 /nfs/dbraw/zinc/46/41/51/1060464151.db2.gz HTCKFMRCHZILTO-IVAOSVALSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644097 1060464154 /nfs/dbraw/zinc/46/41/54/1060464154.db2.gz HTCKFMRCHZILTO-IVAOSVALSA-N 2 2 312.501 4.055 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560789823 1060649725 /nfs/dbraw/zinc/64/97/25/1060649725.db2.gz JOHBIRZMQOMMQT-FQEVSTJZSA-N 2 2 316.533 4.500 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560789823 1060649729 /nfs/dbraw/zinc/64/97/29/1060649729.db2.gz JOHBIRZMQOMMQT-FQEVSTJZSA-N 2 2 316.533 4.500 20 0 DIADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001560805410 1060666775 /nfs/dbraw/zinc/66/67/75/1060666775.db2.gz FNSTUBCSJMOIPC-MOPGFXCFSA-N 2 2 302.506 4.026 20 0 DIADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001560805410 1060666784 /nfs/dbraw/zinc/66/67/84/1060666784.db2.gz FNSTUBCSJMOIPC-MOPGFXCFSA-N 2 2 302.506 4.026 20 0 DIADLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)c1Cl ZINC001250203025 1060681812 /nfs/dbraw/zinc/68/18/12/1060681812.db2.gz AMKDSMREBPXANU-UHFFFAOYSA-N 2 2 320.908 4.407 20 0 DIADLP CCCCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1(C)C ZINC001560844739 1060699608 /nfs/dbraw/zinc/69/96/08/1060699608.db2.gz AJQIPCAMFZFDAA-OTWHNJEPSA-N 2 2 324.553 4.070 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001560851639 1060710034 /nfs/dbraw/zinc/71/00/34/1060710034.db2.gz AGGVWOBDNYVBBC-ZQIUZPCESA-N 2 2 315.848 4.194 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]1C ZINC001560851748 1060711394 /nfs/dbraw/zinc/71/13/94/1060711394.db2.gz CBEUCLANEDMOSJ-CKEIUWERSA-N 2 2 317.864 4.440 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC001560882276 1060742949 /nfs/dbraw/zinc/74/29/49/1060742949.db2.gz GRUISECYONONRA-SJLPKXTDSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC001560882276 1060742964 /nfs/dbraw/zinc/74/29/64/1060742964.db2.gz GRUISECYONONRA-SJLPKXTDSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001560882246 1060743105 /nfs/dbraw/zinc/74/31/05/1060743105.db2.gz FTCITQGOXYGBCP-ROUUACIJSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001560882246 1060743118 /nfs/dbraw/zinc/74/31/18/1060743118.db2.gz FTCITQGOXYGBCP-ROUUACIJSA-N 2 2 320.908 4.440 20 0 DIADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001560922273 1060786129 /nfs/dbraw/zinc/78/61/29/1060786129.db2.gz PFNILBGYQOIHDT-LJQANCHMSA-N 2 2 321.468 4.344 20 0 DIADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001560922273 1060786147 /nfs/dbraw/zinc/78/61/47/1060786147.db2.gz PFNILBGYQOIHDT-LJQANCHMSA-N 2 2 321.468 4.344 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001560930027 1060791917 /nfs/dbraw/zinc/79/19/17/1060791917.db2.gz PWTPKSTVRZBDBB-JBACZVJFSA-N 2 2 314.517 4.108 20 0 DIADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001560929604 1060791948 /nfs/dbraw/zinc/79/19/48/1060791948.db2.gz DTKOBAUPHTUWJN-OALUTQOASA-N 2 2 302.506 4.026 20 0 DIADLP Cc1cccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001560929605 1060792894 /nfs/dbraw/zinc/79/28/94/1060792894.db2.gz DTKOBAUPHTUWJN-RBUKOAKNSA-N 2 2 302.506 4.026 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001560945223 1060810817 /nfs/dbraw/zinc/81/08/17/1060810817.db2.gz UBUISOTYDOLMTD-UUKMXZOPSA-N 2 2 300.490 4.034 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001560945223 1060810837 /nfs/dbraw/zinc/81/08/37/1060810837.db2.gz UBUISOTYDOLMTD-UUKMXZOPSA-N 2 2 300.490 4.034 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c[nH+]c1C ZINC001560986231 1060850237 /nfs/dbraw/zinc/85/02/37/1060850237.db2.gz ZSKAIFCAIHAHNB-KUHUBIRLSA-N 2 2 301.478 4.153 20 0 DIADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC001561031750 1060884988 /nfs/dbraw/zinc/88/49/88/1060884988.db2.gz BLQAJJIMLRSLTN-FCHUYYIVSA-N 2 2 320.480 4.187 20 0 DIADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC001561031750 1060884996 /nfs/dbraw/zinc/88/49/96/1060884996.db2.gz BLQAJJIMLRSLTN-FCHUYYIVSA-N 2 2 320.480 4.187 20 0 DIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462431970 1061170332 /nfs/dbraw/zinc/17/03/32/1061170332.db2.gz WNACMWFLEPMXAJ-RDJZCZTQSA-N 2 2 320.546 4.192 20 0 DIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462431970 1061170327 /nfs/dbraw/zinc/17/03/27/1061170327.db2.gz WNACMWFLEPMXAJ-RDJZCZTQSA-N 2 2 320.546 4.192 20 0 DIADLP C[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487396 1061208720 /nfs/dbraw/zinc/20/87/20/1061208720.db2.gz SUZVSYSZPYWDSB-RDTXWAMCSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487396 1061208739 /nfs/dbraw/zinc/20/87/39/1061208739.db2.gz SUZVSYSZPYWDSB-RDTXWAMCSA-N 2 2 306.881 4.050 20 0 DIADLP CC(C)CCCC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001462534366 1061243812 /nfs/dbraw/zinc/24/38/12/1061243812.db2.gz FUJSUAGDCIFLHD-HXUWFJFHSA-N 2 2 315.505 4.209 20 0 DIADLP CC(C)CCCC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001462534366 1061243831 /nfs/dbraw/zinc/24/38/31/1061243831.db2.gz FUJSUAGDCIFLHD-HXUWFJFHSA-N 2 2 315.505 4.209 20 0 DIADLP c1ccc(NC2CC[NH+](Cc3cccc(C4CC4)c3)CC2)[nH+]c1 ZINC001462589465 1061281366 /nfs/dbraw/zinc/28/13/66/1061281366.db2.gz XKSBZDQTDMEHME-UHFFFAOYSA-N 2 2 307.441 4.036 20 0 DIADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001473746275 1061387756 /nfs/dbraw/zinc/38/77/56/1061387756.db2.gz FOFLMNLUUOTLGO-WSTZPKSXSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001473900858 1061452365 /nfs/dbraw/zinc/45/23/65/1061452365.db2.gz HAOHKHHXCUPCDK-ZYSHUDEJSA-N 2 2 318.892 4.209 20 0 DIADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001473900858 1061452373 /nfs/dbraw/zinc/45/23/73/1061452373.db2.gz HAOHKHHXCUPCDK-ZYSHUDEJSA-N 2 2 318.892 4.209 20 0 DIADLP C[C@@H](c1cccc(Cl)c1)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001473900858 1061452379 /nfs/dbraw/zinc/45/23/79/1061452379.db2.gz HAOHKHHXCUPCDK-ZYSHUDEJSA-N 2 2 318.892 4.209 20 0 DIADLP C[C@@H](c1cccc(Cl)c1)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001473900858 1061452383 /nfs/dbraw/zinc/45/23/83/1061452383.db2.gz HAOHKHHXCUPCDK-ZYSHUDEJSA-N 2 2 318.892 4.209 20 0 DIADLP C[C@@H]1CC(CC[NH+]2CCC(c3c[nH+]cn3C)CC2)C[C@@H](C)C1 ZINC001473894817 1061453198 /nfs/dbraw/zinc/45/31/98/1061453198.db2.gz RLLLYZRMCNVLKN-HOTGVXAUSA-N 2 2 303.494 4.062 20 0 DIADLP CCC[NH+](CCC)CCC[NH2+]Cc1cccc(Cl)c1F ZINC001473908497 1061455231 /nfs/dbraw/zinc/45/52/31/1061455231.db2.gz HAYMWCZUIFCZIU-UHFFFAOYSA-N 2 2 300.849 4.081 20 0 DIADLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)Cc1ccc(C(C)(C)C)cc1 ZINC001473913631 1061461246 /nfs/dbraw/zinc/46/12/46/1061461246.db2.gz HVNYEUKFMHIZPW-QGZVFWFLSA-N 2 2 313.489 4.039 20 0 DIADLP c1cn(CCCC[NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)c[nH+]1 ZINC001473952993 1061494545 /nfs/dbraw/zinc/49/45/45/1061494545.db2.gz XJKWYPXFMFYVES-UHFFFAOYSA-N 2 2 309.457 4.208 20 0 DIADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023469 1061563475 /nfs/dbraw/zinc/56/34/75/1061563475.db2.gz ZUVWQLOJHYILOO-ROUUACIJSA-N 2 2 316.533 4.094 20 0 DIADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023469 1061563479 /nfs/dbraw/zinc/56/34/79/1061563479.db2.gz ZUVWQLOJHYILOO-ROUUACIJSA-N 2 2 316.533 4.094 20 0 DIADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC001474099378 1061645104 /nfs/dbraw/zinc/64/51/04/1061645104.db2.gz BWDQTJROJZZHDH-AWEZNQCLSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1cc(C)cc(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC001474125564 1061670931 /nfs/dbraw/zinc/67/09/31/1061670931.db2.gz OXGWOTGZJLXMBW-UHFFFAOYSA-N 2 2 314.517 4.439 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CCCCCC1 ZINC001474158771 1061701426 /nfs/dbraw/zinc/70/14/26/1061701426.db2.gz YBJYRZNQPDBGRO-UHFFFAOYSA-N 2 2 303.837 4.338 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C)[NH+](CC)CC)cc1 ZINC001474164811 1061708912 /nfs/dbraw/zinc/70/89/12/1061708912.db2.gz RXRVTWYETNHMHZ-VDGAXYAQSA-N 2 2 302.506 4.410 20 0 DIADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001474199467 1061749624 /nfs/dbraw/zinc/74/96/24/1061749624.db2.gz FMKULWZRXNSNRL-UHFFFAOYSA-N 2 2 318.436 4.153 20 0 DIADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001474199467 1061749639 /nfs/dbraw/zinc/74/96/39/1061749639.db2.gz FMKULWZRXNSNRL-UHFFFAOYSA-N 2 2 318.436 4.153 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317161 1061892871 /nfs/dbraw/zinc/89/28/71/1061892871.db2.gz JGNBGFIUXHJVLJ-PBHICJAKSA-N 2 2 306.494 4.190 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317161 1061892892 /nfs/dbraw/zinc/89/28/92/1061892892.db2.gz JGNBGFIUXHJVLJ-PBHICJAKSA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317161 1061892913 /nfs/dbraw/zinc/89/29/13/1061892913.db2.gz JGNBGFIUXHJVLJ-PBHICJAKSA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@H]1C ZINC001474317161 1061892924 /nfs/dbraw/zinc/89/29/24/1061892924.db2.gz JGNBGFIUXHJVLJ-PBHICJAKSA-N 2 2 306.494 4.190 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(Cl)cs2)[nH+]1 ZINC001474323790 1061908404 /nfs/dbraw/zinc/90/84/04/1061908404.db2.gz HPEWZUAOFGLPBI-CQSZACIVSA-N 2 2 321.877 4.181 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(Cl)cs2)[nH+]1 ZINC001474323790 1061908417 /nfs/dbraw/zinc/90/84/17/1061908417.db2.gz HPEWZUAOFGLPBI-CQSZACIVSA-N 2 2 321.877 4.181 20 0 DIADLP CC1CCC([N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)CC1 ZINC001474383235 1062031627 /nfs/dbraw/zinc/03/16/27/1062031627.db2.gz NTMNPKAXMWTSKE-UHFFFAOYSA-N 2 2 315.486 4.477 20 0 DIADLP CC1CCC([N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)CC1 ZINC001474383235 1062031642 /nfs/dbraw/zinc/03/16/42/1062031642.db2.gz NTMNPKAXMWTSKE-UHFFFAOYSA-N 2 2 315.486 4.477 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001474497771 1062178848 /nfs/dbraw/zinc/17/88/48/1062178848.db2.gz NASFJFZIDRZVMY-QRVBRYPASA-N 2 2 300.490 4.033 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001474497771 1062178856 /nfs/dbraw/zinc/17/88/56/1062178856.db2.gz NASFJFZIDRZVMY-QRVBRYPASA-N 2 2 300.490 4.033 20 0 DIADLP CCc1ccc([C@@H](C[NH2+][C@H](C)C2CCC2)[NH+](CC)CC)cc1 ZINC001474552330 1062249584 /nfs/dbraw/zinc/24/95/84/1062249584.db2.gz GMDIFZFGRPJIDM-OXQOHEQNSA-N 2 2 302.506 4.410 20 0 DIADLP c1ccc(C[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)c2ccccc2)cc1 ZINC001254832646 1062260282 /nfs/dbraw/zinc/26/02/82/1062260282.db2.gz PXWMRGKWYBUQFI-YADHBBJMSA-N 2 2 320.480 4.044 20 0 DIADLP CC(C)CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254844159 1062262326 /nfs/dbraw/zinc/26/23/26/1062262326.db2.gz IHAAAIUPFCQLHP-MRXNPFEDSA-N 2 2 314.464 4.055 20 0 DIADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558551 1062262488 /nfs/dbraw/zinc/26/24/88/1062262488.db2.gz RABSNMAJZFETRA-HUUCEWRRSA-N 2 2 300.421 4.114 20 0 DIADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558551 1062262509 /nfs/dbraw/zinc/26/25/09/1062262509.db2.gz RABSNMAJZFETRA-HUUCEWRRSA-N 2 2 300.421 4.114 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001474630386 1062355286 /nfs/dbraw/zinc/35/52/86/1062355286.db2.gz KPCYFEGGJWQTHS-ACRUOGEOSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001474630386 1062355311 /nfs/dbraw/zinc/35/53/11/1062355311.db2.gz KPCYFEGGJWQTHS-ACRUOGEOSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658017 1062389225 /nfs/dbraw/zinc/38/92/25/1062389225.db2.gz BJGAIOMKQYQVAP-TYPHKJRUSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658017 1062389247 /nfs/dbraw/zinc/38/92/47/1062389247.db2.gz BJGAIOMKQYQVAP-TYPHKJRUSA-N 2 2 312.501 4.004 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001474666927 1062395978 /nfs/dbraw/zinc/39/59/78/1062395978.db2.gz UVCUVXVBPHEACN-DYXWJJEUSA-N 2 2 312.501 4.233 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001474666927 1062395999 /nfs/dbraw/zinc/39/59/99/1062395999.db2.gz UVCUVXVBPHEACN-DYXWJJEUSA-N 2 2 312.501 4.233 20 0 DIADLP C[C@@H](CCc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683266 1062414351 /nfs/dbraw/zinc/41/43/51/1062414351.db2.gz WTELUEBRSOBGSS-GHTZIAJQSA-N 2 2 319.452 4.235 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001474707952 1062434917 /nfs/dbraw/zinc/43/49/17/1062434917.db2.gz MIFQEZAWQZFHOC-OTNPHJDUSA-N 2 2 312.501 4.065 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC001474707952 1062434929 /nfs/dbraw/zinc/43/49/29/1062434929.db2.gz MIFQEZAWQZFHOC-OTNPHJDUSA-N 2 2 312.501 4.065 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)CC(C)(C)C[NH+](C)C)c2ccsc2S1 ZINC001474739865 1062454376 /nfs/dbraw/zinc/45/43/76/1062454376.db2.gz HSUBLZTWSFCIDZ-GXTWGEPZSA-N 2 2 312.548 4.193 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)C[NH+](C)C)c2ccsc2S1 ZINC001474739865 1062454389 /nfs/dbraw/zinc/45/43/89/1062454389.db2.gz HSUBLZTWSFCIDZ-GXTWGEPZSA-N 2 2 312.548 4.193 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)c1 ZINC001474755665 1062466049 /nfs/dbraw/zinc/46/60/49/1062466049.db2.gz TYBGPNXAFQNTFG-WAYWQWQTSA-N 2 2 323.484 4.238 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001459959220 1062525371 /nfs/dbraw/zinc/52/53/71/1062525371.db2.gz AUSDSLLNUUCHBN-NJDAHSKKSA-N 2 2 314.517 4.250 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001459959220 1062525389 /nfs/dbraw/zinc/52/53/89/1062525389.db2.gz AUSDSLLNUUCHBN-NJDAHSKKSA-N 2 2 314.517 4.250 20 0 DIADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)CSc2ccc(F)cc2)C1 ZINC001255732135 1062552657 /nfs/dbraw/zinc/55/26/57/1062552657.db2.gz HCHNWRUWVHNPSA-ZBFHGGJFSA-N 2 2 324.509 4.159 20 0 DIADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)CSc2ccc(F)cc2)C1 ZINC001255732135 1062552679 /nfs/dbraw/zinc/55/26/79/1062552679.db2.gz HCHNWRUWVHNPSA-ZBFHGGJFSA-N 2 2 324.509 4.159 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@H](C)CSc2ccc(F)cc2)CC1 ZINC001255744936 1062563296 /nfs/dbraw/zinc/56/32/96/1062563296.db2.gz OLPJTDIPNIVDNJ-OAHLLOKOSA-N 2 2 324.509 4.113 20 0 DIADLP Cc1ccc(SC[C@@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)cc1 ZINC001255771658 1062593942 /nfs/dbraw/zinc/59/39/42/1062593942.db2.gz URDOQYWFIDQCNN-CVEARBPZSA-N 2 2 315.486 4.012 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC001255948523 1062669855 /nfs/dbraw/zinc/66/98/55/1062669855.db2.gz MSQQMWIPPLIREW-HNNXBMFYSA-N 2 2 317.502 4.020 20 0 DIADLP Clc1ccccc1[C@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076067 1062698173 /nfs/dbraw/zinc/69/81/73/1062698173.db2.gz ATFBIVXJSCFEAB-GOSISDBHSA-N 2 2 304.865 4.104 20 0 DIADLP Clc1ccccc1[C@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076067 1062698180 /nfs/dbraw/zinc/69/81/80/1062698180.db2.gz ATFBIVXJSCFEAB-GOSISDBHSA-N 2 2 304.865 4.104 20 0 DIADLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCC(C)C)CC2)cc1 ZINC001256352372 1062782082 /nfs/dbraw/zinc/78/20/82/1062782082.db2.gz HGNWLCZXUPRBEF-QGZVFWFLSA-N 2 2 318.505 4.074 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256527440 1062844573 /nfs/dbraw/zinc/84/45/73/1062844573.db2.gz RVZZCZURUHSNRH-HBFSDRIKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256527440 1062844594 /nfs/dbraw/zinc/84/45/94/1062844594.db2.gz RVZZCZURUHSNRH-HBFSDRIKSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548275 1062870474 /nfs/dbraw/zinc/87/04/74/1062870474.db2.gz ADZFWICJSITQMI-XMSQKQJNSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548275 1062870496 /nfs/dbraw/zinc/87/04/96/1062870496.db2.gz ADZFWICJSITQMI-XMSQKQJNSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@H]3CCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256555313 1062874183 /nfs/dbraw/zinc/87/41/83/1062874183.db2.gz SZIHYEWEOZVTOI-WLRLJWMZSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@H]3CCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256555313 1062874205 /nfs/dbraw/zinc/87/42/05/1062874205.db2.gz SZIHYEWEOZVTOI-WLRLJWMZSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555313 1062874226 /nfs/dbraw/zinc/87/42/26/1062874226.db2.gz SZIHYEWEOZVTOI-WLRLJWMZSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555313 1062874247 /nfs/dbraw/zinc/87/42/47/1062874247.db2.gz SZIHYEWEOZVTOI-WLRLJWMZSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@H]3CCC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256555307 1062879158 /nfs/dbraw/zinc/87/91/58/1062879158.db2.gz SZIHYEWEOZVTOI-CWJKEVGVSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@H]3CCC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256555307 1062879169 /nfs/dbraw/zinc/87/91/69/1062879169.db2.gz SZIHYEWEOZVTOI-CWJKEVGVSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555307 1062879191 /nfs/dbraw/zinc/87/91/91/1062879191.db2.gz SZIHYEWEOZVTOI-CWJKEVGVSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555307 1062879212 /nfs/dbraw/zinc/87/92/12/1062879212.db2.gz SZIHYEWEOZVTOI-CWJKEVGVSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@H]1C[C@H]([NH+](Cc2ccco2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552930 1062880022 /nfs/dbraw/zinc/88/00/22/1062880022.db2.gz DFYGWWSWWRBYNZ-FXAWDEMLSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@H]1C[C@H]([NH+](Cc2ccco2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552930 1062880042 /nfs/dbraw/zinc/88/00/42/1062880042.db2.gz DFYGWWSWWRBYNZ-FXAWDEMLSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@H]1C[C@H]([N@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552930 1062880057 /nfs/dbraw/zinc/88/00/57/1062880057.db2.gz DFYGWWSWWRBYNZ-FXAWDEMLSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552930 1062880084 /nfs/dbraw/zinc/88/00/84/1062880084.db2.gz DFYGWWSWWRBYNZ-FXAWDEMLSA-N 2 2 324.468 4.297 20 0 DIADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727680 1063021278 /nfs/dbraw/zinc/02/12/78/1063021278.db2.gz KVBGUWCIVGWYBL-RTBURBONSA-N 2 2 312.482 4.084 20 0 DIADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727680 1063021301 /nfs/dbraw/zinc/02/13/01/1063021301.db2.gz KVBGUWCIVGWYBL-RTBURBONSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727680 1063021316 /nfs/dbraw/zinc/02/13/16/1063021316.db2.gz KVBGUWCIVGWYBL-RTBURBONSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727680 1063021341 /nfs/dbraw/zinc/02/13/41/1063021341.db2.gz KVBGUWCIVGWYBL-RTBURBONSA-N 2 2 312.482 4.084 20 0 DIADLP CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001460733148 1063029622 /nfs/dbraw/zinc/02/96/22/1063029622.db2.gz UFBKESWNDZLWRO-QGZVFWFLSA-N 2 2 317.864 4.195 20 0 DIADLP CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC001460733148 1063029638 /nfs/dbraw/zinc/02/96/38/1063029638.db2.gz UFBKESWNDZLWRO-QGZVFWFLSA-N 2 2 317.864 4.195 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001460734715 1063030187 /nfs/dbraw/zinc/03/01/87/1063030187.db2.gz WEJMJQYGKIJLAZ-RTWAWAEBSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001460734715 1063030206 /nfs/dbraw/zinc/03/02/06/1063030206.db2.gz WEJMJQYGKIJLAZ-RTWAWAEBSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001460734715 1063030227 /nfs/dbraw/zinc/03/02/27/1063030227.db2.gz WEJMJQYGKIJLAZ-RTWAWAEBSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001460734715 1063030250 /nfs/dbraw/zinc/03/02/50/1063030250.db2.gz WEJMJQYGKIJLAZ-RTWAWAEBSA-N 2 2 308.469 4.071 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC001460745778 1063038079 /nfs/dbraw/zinc/03/80/79/1063038079.db2.gz GNRFQYFNLDOUFQ-OALUTQOASA-N 2 2 316.464 4.022 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001257219969 1063147335 /nfs/dbraw/zinc/14/73/35/1063147335.db2.gz LVCIMKAIMIJNBN-LJQANCHMSA-N 2 2 304.453 4.226 20 0 DIADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001257219969 1063147347 /nfs/dbraw/zinc/14/73/47/1063147347.db2.gz LVCIMKAIMIJNBN-LJQANCHMSA-N 2 2 304.453 4.226 20 0 DIADLP CCC[C@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001257319938 1063202305 /nfs/dbraw/zinc/20/23/05/1063202305.db2.gz CQQBRZFDBRLXDQ-AWEZNQCLSA-N 2 2 309.413 4.182 20 0 DIADLP CCCC(CCC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257337559 1063217616 /nfs/dbraw/zinc/21/76/16/1063217616.db2.gz YJWMRNZZBAEJAK-MRXNPFEDSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC(CCC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257337559 1063217654 /nfs/dbraw/zinc/21/76/54/1063217654.db2.gz YJWMRNZZBAEJAK-MRXNPFEDSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC(CCC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257337559 1063217670 /nfs/dbraw/zinc/21/76/70/1063217670.db2.gz YJWMRNZZBAEJAK-MRXNPFEDSA-N 2 2 320.525 4.069 20 0 DIADLP c1ccc(C(c2ccccc2)[NH+]2CC(C[NH2+]C3CCCC3)C2)cc1 ZINC001257344693 1063222114 /nfs/dbraw/zinc/22/21/14/1063222114.db2.gz KOGVUADTSBAHKK-UHFFFAOYSA-N 2 2 320.480 4.240 20 0 DIADLP CCCC[N@H+](C)C[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001472797434 1063243956 /nfs/dbraw/zinc/24/39/56/1063243956.db2.gz CGEBXERXRMKYDY-HNNXBMFYSA-N 2 2 306.498 4.256 20 0 DIADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001472797434 1063243979 /nfs/dbraw/zinc/24/39/79/1063243979.db2.gz CGEBXERXRMKYDY-HNNXBMFYSA-N 2 2 306.498 4.256 20 0 DIADLP CC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC001461092705 1063247364 /nfs/dbraw/zinc/24/73/64/1063247364.db2.gz KQUSALBEVVKVOM-KRWDZBQOSA-N 2 2 323.415 4.295 20 0 DIADLP CCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422568 1063271082 /nfs/dbraw/zinc/27/10/82/1063271082.db2.gz UNFNHYYXOPLRKF-IXDOHACOSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422568 1063271098 /nfs/dbraw/zinc/27/10/98/1063271098.db2.gz UNFNHYYXOPLRKF-IXDOHACOSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257422568 1063271117 /nfs/dbraw/zinc/27/11/17/1063271117.db2.gz UNFNHYYXOPLRKF-IXDOHACOSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257422568 1063271136 /nfs/dbraw/zinc/27/11/36/1063271136.db2.gz UNFNHYYXOPLRKF-IXDOHACOSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257421454 1063271239 /nfs/dbraw/zinc/27/12/39/1063271239.db2.gz OICWHGZCTOFXJO-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257421454 1063271257 /nfs/dbraw/zinc/27/12/57/1063271257.db2.gz OICWHGZCTOFXJO-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257421454 1063271274 /nfs/dbraw/zinc/27/12/74/1063271274.db2.gz OICWHGZCTOFXJO-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257421454 1063271293 /nfs/dbraw/zinc/27/12/93/1063271293.db2.gz OICWHGZCTOFXJO-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001257469669 1063290004 /nfs/dbraw/zinc/29/00/04/1063290004.db2.gz YFRPKAHWBIEIBA-IAGOWNOFSA-N 2 2 303.494 4.245 20 0 DIADLP CCCCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257501534 1063312059 /nfs/dbraw/zinc/31/20/59/1063312059.db2.gz BKIVENPUXMTACZ-SWLSCSKDSA-N 2 2 313.283 4.007 20 0 DIADLP CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257502131 1063315299 /nfs/dbraw/zinc/31/52/99/1063315299.db2.gz SKQWZQMXDNHWRP-QGZVFWFLSA-N 2 2 318.505 4.218 20 0 DIADLP CCCCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257509531 1063319496 /nfs/dbraw/zinc/31/94/96/1063319496.db2.gz HFVJYJOVJRPXCS-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257509531 1063319519 /nfs/dbraw/zinc/31/95/19/1063319519.db2.gz HFVJYJOVJRPXCS-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257509531 1063319541 /nfs/dbraw/zinc/31/95/41/1063319541.db2.gz HFVJYJOVJRPXCS-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257509531 1063319563 /nfs/dbraw/zinc/31/95/63/1063319563.db2.gz HFVJYJOVJRPXCS-IAGOWNOFSA-N 2 2 320.525 4.069 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC001461224926 1063346657 /nfs/dbraw/zinc/34/66/57/1063346657.db2.gz WZVINZXCRJAPEO-AEZRFQNJSA-N 2 2 324.443 4.093 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC001461224926 1063346674 /nfs/dbraw/zinc/34/66/74/1063346674.db2.gz WZVINZXCRJAPEO-AEZRFQNJSA-N 2 2 324.443 4.093 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccsc2)c(C)c1 ZINC001461370194 1063452496 /nfs/dbraw/zinc/45/24/96/1063452496.db2.gz RDCWANFYWZEASV-GOSISDBHSA-N 2 2 311.454 4.093 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001258059325 1063487699 /nfs/dbraw/zinc/48/76/99/1063487699.db2.gz ZCCQRFMNKLJHEW-IAGOWNOFSA-N 2 2 303.494 4.101 20 0 DIADLP CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461547655 1063572961 /nfs/dbraw/zinc/57/29/61/1063572961.db2.gz GHKSQGZTQKSWMA-CABCVRRESA-N 2 2 303.475 4.240 20 0 DIADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCCCCCC2)CC1 ZINC001258237975 1063577389 /nfs/dbraw/zinc/57/73/89/1063577389.db2.gz ZYCDTSACTHVPPI-SAABIXHNSA-N 2 2 301.478 4.271 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001258296661 1063594967 /nfs/dbraw/zinc/59/49/67/1063594967.db2.gz YNKMYEZSBOYXCG-HZPDHXFCSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001258296661 1063594981 /nfs/dbraw/zinc/59/49/81/1063594981.db2.gz YNKMYEZSBOYXCG-HZPDHXFCSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CC[NH+]1CCCCC1 ZINC001258298557 1063595170 /nfs/dbraw/zinc/59/51/70/1063595170.db2.gz QCASPITURIXNAW-MRXNPFEDSA-N 2 2 324.534 4.146 20 0 DIADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001258326768 1063613548 /nfs/dbraw/zinc/61/35/48/1063613548.db2.gz HTWXCAOEMQXZLG-AEFFLSMTSA-N 2 2 320.546 4.161 20 0 DIADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001258326768 1063613552 /nfs/dbraw/zinc/61/35/52/1063613552.db2.gz HTWXCAOEMQXZLG-AEFFLSMTSA-N 2 2 320.546 4.161 20 0 DIADLP CSC(C)(C)C[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258350066 1063622560 /nfs/dbraw/zinc/62/25/60/1063622560.db2.gz VSHFFGZOGFXGCH-HNNXBMFYSA-N 2 2 312.567 4.245 20 0 DIADLP CSC(C)(C)C[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258350066 1063622571 /nfs/dbraw/zinc/62/25/71/1063622571.db2.gz VSHFFGZOGFXGCH-HNNXBMFYSA-N 2 2 312.567 4.245 20 0 DIADLP Cc1ccc2oc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)cc2c1 ZINC001461641371 1063630782 /nfs/dbraw/zinc/63/07/82/1063630782.db2.gz IGMJDEFPABSOQM-UHFFFAOYSA-N 2 2 323.421 4.278 20 0 DIADLP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001461644703 1063632256 /nfs/dbraw/zinc/63/22/56/1063632256.db2.gz ILJIUMSTSJUSRJ-NRFANRHFSA-N 2 2 314.517 4.382 20 0 DIADLP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001461644703 1063632264 /nfs/dbraw/zinc/63/22/64/1063632264.db2.gz ILJIUMSTSJUSRJ-NRFANRHFSA-N 2 2 314.517 4.382 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]CC1CCCCCC1)c1ccccc1 ZINC001461655112 1063638283 /nfs/dbraw/zinc/63/82/83/1063638283.db2.gz JQDPFCFYQLCINK-IBGZPJMESA-N 2 2 311.473 4.264 20 0 DIADLP CCCCC[C@@H](CC)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258444229 1063655844 /nfs/dbraw/zinc/65/58/44/1063655844.db2.gz UVGBEZNUNLWANU-OAHLLOKOSA-N 2 2 307.457 4.138 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001461683788 1063656379 /nfs/dbraw/zinc/65/63/79/1063656379.db2.gz QZUQXLODAAYBGW-QZEGLACASA-N 2 2 318.892 4.350 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001461683788 1063656392 /nfs/dbraw/zinc/65/63/92/1063656392.db2.gz QZUQXLODAAYBGW-QZEGLACASA-N 2 2 318.892 4.350 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC001258599199 1063702217 /nfs/dbraw/zinc/70/22/17/1063702217.db2.gz VPRXXNXOAWOMJK-LJQANCHMSA-N 2 2 318.480 4.267 20 0 DIADLP C[N@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001258600714 1063704833 /nfs/dbraw/zinc/70/48/33/1063704833.db2.gz NHKNJYMUEWOGNQ-LJQANCHMSA-N 2 2 300.490 4.162 20 0 DIADLP C[N@@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001258600714 1063704844 /nfs/dbraw/zinc/70/48/44/1063704844.db2.gz NHKNJYMUEWOGNQ-LJQANCHMSA-N 2 2 300.490 4.162 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258649022 1063721873 /nfs/dbraw/zinc/72/18/73/1063721873.db2.gz BJGBLMUOFLKXMI-JOCHJYFZSA-N 2 2 322.496 4.119 20 0 DIADLP C[C@H]1C[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC(C)(C)C1 ZINC001258695251 1063758065 /nfs/dbraw/zinc/75/80/65/1063758065.db2.gz ZZGGRMDKZMTTNZ-HOTGVXAUSA-N 2 2 302.462 4.140 20 0 DIADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258707122 1063763214 /nfs/dbraw/zinc/76/32/14/1063763214.db2.gz BOLZKPBXCUKXSN-MOPGFXCFSA-N 2 2 300.490 4.004 20 0 DIADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258707122 1063763226 /nfs/dbraw/zinc/76/32/26/1063763226.db2.gz BOLZKPBXCUKXSN-MOPGFXCFSA-N 2 2 300.490 4.004 20 0 DIADLP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258755872 1063801381 /nfs/dbraw/zinc/80/13/81/1063801381.db2.gz BRTVTUPEBKOBRD-GOSISDBHSA-N 2 2 318.505 4.305 20 0 DIADLP CC[C@H](C[C@@H](C)CC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258783823 1063821528 /nfs/dbraw/zinc/82/15/28/1063821528.db2.gz JLPSBYRLFXXIHO-FUHWJXTLSA-N 2 2 318.505 4.161 20 0 DIADLP CC[C@@H](C)C[C@H](CC)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786148 1063824971 /nfs/dbraw/zinc/82/49/71/1063824971.db2.gz KQOKESKXCCTSCF-ZJPYXAASSA-N 2 2 303.494 4.373 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC001258814700 1063845501 /nfs/dbraw/zinc/84/55/01/1063845501.db2.gz QFQZTZYWZHATQJ-YWZLYKJASA-N 2 2 318.480 4.267 20 0 DIADLP C[C@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819731 1063847603 /nfs/dbraw/zinc/84/76/03/1063847603.db2.gz SLBCIBIVXBZLHX-FXAWDEMLSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819731 1063847623 /nfs/dbraw/zinc/84/76/23/1063847623.db2.gz SLBCIBIVXBZLHX-FXAWDEMLSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828956 1063852227 /nfs/dbraw/zinc/85/22/27/1063852227.db2.gz UJVQKOPGPYYKMV-LPHOPBHVSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828956 1063852235 /nfs/dbraw/zinc/85/22/35/1063852235.db2.gz UJVQKOPGPYYKMV-LPHOPBHVSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830780 1063852708 /nfs/dbraw/zinc/85/27/08/1063852708.db2.gz SFSJJRCOHOTOCI-UZLBHIALSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830780 1063852714 /nfs/dbraw/zinc/85/27/14/1063852714.db2.gz SFSJJRCOHOTOCI-UZLBHIALSA-N 2 2 318.480 4.301 20 0 DIADLP Fc1cccc2c1CC[C@@H]2[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC001261639955 1063941302 /nfs/dbraw/zinc/94/13/02/1063941302.db2.gz RIEPHOLHCDYFKV-NRFANRHFSA-N 2 2 324.443 4.067 20 0 DIADLP Cc1cccc(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000387491056 1064075686 /nfs/dbraw/zinc/07/56/86/1064075686.db2.gz WKPZRHDQEXRZRP-UHFFFAOYSA-N 2 2 308.469 4.139 20 0 DIADLP Cc1cccc(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000387491056 1064075692 /nfs/dbraw/zinc/07/56/92/1064075692.db2.gz WKPZRHDQEXRZRP-UHFFFAOYSA-N 2 2 308.469 4.139 20 0 DIADLP Cc1csc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1Cl ZINC001279657237 1064361157 /nfs/dbraw/zinc/36/11/57/1064361157.db2.gz AKMVVQQXHJEBFB-INIZCTEOSA-N 2 2 312.910 4.018 20 0 DIADLP Cc1csc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1Cl ZINC001279657237 1064361172 /nfs/dbraw/zinc/36/11/72/1064361172.db2.gz AKMVVQQXHJEBFB-INIZCTEOSA-N 2 2 312.910 4.018 20 0 DIADLP Cc1csc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1Cl ZINC001279657237 1064361184 /nfs/dbraw/zinc/36/11/84/1064361184.db2.gz AKMVVQQXHJEBFB-INIZCTEOSA-N 2 2 312.910 4.018 20 0 DIADLP Cc1csc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1Cl ZINC001279657237 1064361198 /nfs/dbraw/zinc/36/11/98/1064361198.db2.gz AKMVVQQXHJEBFB-INIZCTEOSA-N 2 2 312.910 4.018 20 0 DIADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345346 1064395522 /nfs/dbraw/zinc/39/55/22/1064395522.db2.gz AGTYWYHDRKTMIY-FQEVSTJZSA-N 2 2 316.464 4.011 20 0 DIADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345346 1064395532 /nfs/dbraw/zinc/39/55/32/1064395532.db2.gz AGTYWYHDRKTMIY-FQEVSTJZSA-N 2 2 316.464 4.011 20 0 DIADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345346 1064395539 /nfs/dbraw/zinc/39/55/39/1064395539.db2.gz AGTYWYHDRKTMIY-FQEVSTJZSA-N 2 2 316.464 4.011 20 0 DIADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345346 1064395545 /nfs/dbraw/zinc/39/55/45/1064395545.db2.gz AGTYWYHDRKTMIY-FQEVSTJZSA-N 2 2 316.464 4.011 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000643458799 1064413562 /nfs/dbraw/zinc/41/35/62/1064413562.db2.gz CCFXPDHXDJOZOO-URKNILKWSA-N 2 2 316.395 4.109 20 0 DIADLP Fc1ccccc1C1([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC000647802427 1064415674 /nfs/dbraw/zinc/41/56/74/1064415674.db2.gz LHHILZRFVUQPHK-FXAWDEMLSA-N 2 2 324.443 4.288 20 0 DIADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC001308004383 1065720635 /nfs/dbraw/zinc/72/06/35/1065720635.db2.gz NCNXSIODFOXPHV-UHFFFAOYSA-N 2 2 316.876 4.409 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC001308086660 1065753964 /nfs/dbraw/zinc/75/39/64/1065753964.db2.gz ZUCJMYBQRAZOAK-OAHLLOKOSA-N 2 2 306.881 4.351 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC001308181886 1065794300 /nfs/dbraw/zinc/79/43/00/1065794300.db2.gz CEYBPNVKHPOYIC-KRWDZBQOSA-N 2 2 310.432 4.237 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001308219597 1065826754 /nfs/dbraw/zinc/82/67/54/1065826754.db2.gz HINDJARQJNJGIM-YSIASYRMSA-N 2 2 300.490 4.238 20 0 DIADLP CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308221060 1065828865 /nfs/dbraw/zinc/82/88/65/1065828865.db2.gz OLZXGBBREQLIFM-JKSUJKDBSA-N 2 2 315.436 4.317 20 0 DIADLP CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308221059 1065828953 /nfs/dbraw/zinc/82/89/53/1065828953.db2.gz OLZXGBBREQLIFM-HZPDHXFCSA-N 2 2 315.436 4.317 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)C(C)(C)C ZINC001308263983 1065863726 /nfs/dbraw/zinc/86/37/26/1065863726.db2.gz GSGCXNOHBQJKEP-HNNXBMFYSA-N 2 2 317.304 4.449 20 0 DIADLP CCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001308359081 1065937698 /nfs/dbraw/zinc/93/76/98/1065937698.db2.gz BZTQSEZSZYCJAV-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC001308395335 1065961916 /nfs/dbraw/zinc/96/19/16/1065961916.db2.gz NYBOWDHOZVZLDR-WOJBJXKFSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001308395335 1065961933 /nfs/dbraw/zinc/96/19/33/1065961933.db2.gz NYBOWDHOZVZLDR-WOJBJXKFSA-N 2 2 300.490 4.033 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589344 1066104083 /nfs/dbraw/zinc/10/40/83/1066104083.db2.gz MYJPEOLONNAOOO-ROUUACIJSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589344 1066104088 /nfs/dbraw/zinc/10/40/88/1066104088.db2.gz MYJPEOLONNAOOO-ROUUACIJSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589344 1066104093 /nfs/dbraw/zinc/10/40/93/1066104093.db2.gz MYJPEOLONNAOOO-ROUUACIJSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(F)c1 ZINC001308589344 1066104097 /nfs/dbraw/zinc/10/40/97/1066104097.db2.gz MYJPEOLONNAOOO-ROUUACIJSA-N 2 2 318.480 4.221 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001308593780 1066106032 /nfs/dbraw/zinc/10/60/32/1066106032.db2.gz JTBSDRWUNWXMOA-OAHLLOKOSA-N 2 2 308.897 4.066 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001308593780 1066106037 /nfs/dbraw/zinc/10/60/37/1066106037.db2.gz JTBSDRWUNWXMOA-OAHLLOKOSA-N 2 2 308.897 4.066 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)Cc1ccccc1 ZINC001308852189 1066328563 /nfs/dbraw/zinc/32/85/63/1066328563.db2.gz OMSFQCNPCCCMGH-PCCBWWKXSA-N 2 2 314.517 4.457 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)Cc1ccccc1 ZINC001308852189 1066328577 /nfs/dbraw/zinc/32/85/77/1066328577.db2.gz OMSFQCNPCCCMGH-PCCBWWKXSA-N 2 2 314.517 4.457 20 0 DIADLP C[C@]1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1c1ccccc1 ZINC001308866068 1066346262 /nfs/dbraw/zinc/34/62/62/1066346262.db2.gz SKQWKRMYCJDOAC-PWRODBHTSA-N 2 2 312.501 4.177 20 0 DIADLP C[C@]1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1c1ccccc1 ZINC001308866068 1066346276 /nfs/dbraw/zinc/34/62/76/1066346276.db2.gz SKQWKRMYCJDOAC-PWRODBHTSA-N 2 2 312.501 4.177 20 0 DIADLP CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001308888112 1066368197 /nfs/dbraw/zinc/36/81/97/1066368197.db2.gz LMCHMTJBZMSKIS-ZWOKBUDYSA-N 2 2 302.506 4.061 20 0 DIADLP CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001308888112 1066368210 /nfs/dbraw/zinc/36/82/10/1066368210.db2.gz LMCHMTJBZMSKIS-ZWOKBUDYSA-N 2 2 302.506 4.061 20 0 DIADLP CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308916331 1066395089 /nfs/dbraw/zinc/39/50/89/1066395089.db2.gz WEARZDUEBMXUNM-HOJAQTOUSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308974831 1066427538 /nfs/dbraw/zinc/42/75/38/1066427538.db2.gz MLVAKDBDQXZQAJ-ZDUSSCGKSA-N 2 2 314.926 4.044 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308974831 1066427542 /nfs/dbraw/zinc/42/75/42/1066427542.db2.gz MLVAKDBDQXZQAJ-ZDUSSCGKSA-N 2 2 314.926 4.044 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000091306982 193037428 /nfs/dbraw/zinc/03/74/28/193037428.db2.gz KDLWFKPPAVUGOX-HXUWFJFHSA-N 2 2 303.409 4.113 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000019987145 182174623 /nfs/dbraw/zinc/17/46/23/182174623.db2.gz TYIWNRYRIYZHSI-NSHDSACASA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl ZINC000020523891 182226992 /nfs/dbraw/zinc/22/69/92/182226992.db2.gz FWAUUHZJKQJTTQ-HLVVYCRESA-N 2 2 313.272 4.269 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl ZINC000020523891 182226994 /nfs/dbraw/zinc/22/69/94/182226994.db2.gz FWAUUHZJKQJTTQ-HLVVYCRESA-N 2 2 313.272 4.269 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000284393784 131076403 /nfs/dbraw/zinc/07/64/03/131076403.db2.gz PIECBOZDFJRTOH-KBPBESRZSA-N 2 2 321.852 4.063 20 0 DIADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000340202734 131153077 /nfs/dbraw/zinc/15/30/77/131153077.db2.gz PHWNWWHYYZQOTE-FQEVSTJZSA-N 2 2 317.436 4.077 20 0 DIADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000340202734 131153079 /nfs/dbraw/zinc/15/30/79/131153079.db2.gz PHWNWWHYYZQOTE-FQEVSTJZSA-N 2 2 317.436 4.077 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000289284312 131370830 /nfs/dbraw/zinc/37/08/30/131370830.db2.gz OXMLFPNFQRQZTL-RTWAWAEBSA-N 2 2 324.468 4.080 20 0 DIADLP c1cc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2s1 ZINC000289587563 131398968 /nfs/dbraw/zinc/39/89/68/131398968.db2.gz BUMQKCSWRWCJEC-UHFFFAOYSA-N 2 2 323.465 4.055 20 0 DIADLP CC(C)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000298410819 132061324 /nfs/dbraw/zinc/06/13/24/132061324.db2.gz MMTTXAANNPBKJS-UHFFFAOYSA-N 2 2 319.452 4.345 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000121358288 132153903 /nfs/dbraw/zinc/15/39/03/132153903.db2.gz SCBQATABWXRJET-CQSZACIVSA-N 2 2 315.848 4.055 20 0 DIADLP CCC1(CC)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000468547119 335065451 /nfs/dbraw/zinc/06/54/51/335065451.db2.gz HFQWBIMLOMRCOV-UHFFFAOYSA-N 2 2 321.515 4.041 20 0 DIADLP CCC1(CC)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000468547119 335065453 /nfs/dbraw/zinc/06/54/53/335065453.db2.gz HFQWBIMLOMRCOV-UHFFFAOYSA-N 2 2 321.515 4.041 20 0 DIADLP c1cn(CCC[N@H+]2CC=C(c3cccc4ccccc43)CC2)c[nH+]1 ZINC000343318980 335075803 /nfs/dbraw/zinc/07/58/03/335075803.db2.gz HRQPSSGGFQZDJX-UHFFFAOYSA-N 2 2 317.436 4.216 20 0 DIADLP c1cn(CCC[N@@H+]2CC=C(c3cccc4ccccc43)CC2)c[nH+]1 ZINC000343318980 335075805 /nfs/dbraw/zinc/07/58/05/335075805.db2.gz HRQPSSGGFQZDJX-UHFFFAOYSA-N 2 2 317.436 4.216 20 0 DIADLP Cc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000343322428 335081461 /nfs/dbraw/zinc/08/14/61/335081461.db2.gz QJDGZOJMXLDNNG-UHFFFAOYSA-N 2 2 319.452 4.284 20 0 DIADLP Cc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000343322428 335081462 /nfs/dbraw/zinc/08/14/62/335081462.db2.gz QJDGZOJMXLDNNG-UHFFFAOYSA-N 2 2 319.452 4.284 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000537944328 331486914 /nfs/dbraw/zinc/48/69/14/331486914.db2.gz XDFLXFAOGUCCPO-AWEZNQCLSA-N 2 2 318.848 4.335 20 0 DIADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000530477183 331491013 /nfs/dbraw/zinc/49/10/13/331491013.db2.gz MKQPANUJVMQNQS-GRTSSRMGSA-N 2 2 310.844 4.147 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)o2)cc1 ZINC000179837025 331547050 /nfs/dbraw/zinc/54/70/50/331547050.db2.gz QLTVJJZZJOJRBT-UHFFFAOYSA-N 2 2 312.457 4.217 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000131033409 332027001 /nfs/dbraw/zinc/02/70/01/332027001.db2.gz XFVUYNQMXFPUIF-UHFFFAOYSA-N 2 2 323.465 4.055 20 0 DIADLP CC[C@H](C[NH2+]CCCc1c[nH+]ccc1C)Oc1cccc(C)c1 ZINC000569530334 332126890 /nfs/dbraw/zinc/12/68/90/332126890.db2.gz NPBDSYAWRWFTNX-LJQANCHMSA-N 2 2 312.457 4.078 20 0 DIADLP C[C@H](Cc1ccsc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000569555374 332137359 /nfs/dbraw/zinc/13/73/59/332137359.db2.gz IHBBIGRXNGEVCJ-AUUYWEPGSA-N 2 2 310.466 4.122 20 0 DIADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000569555377 332137431 /nfs/dbraw/zinc/13/74/31/332137431.db2.gz IHBBIGRXNGEVCJ-KUHUBIRLSA-N 2 2 310.466 4.122 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449444157 332198100 /nfs/dbraw/zinc/19/81/00/332198100.db2.gz YTCHYPKZFWHYRH-CQSZACIVSA-N 2 2 306.416 4.128 20 0 DIADLP CC(C)c1cc(N2CCC[N@@H+](C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000536389032 332237310 /nfs/dbraw/zinc/23/73/10/332237310.db2.gz NJBVORAFXDEZHW-UHFFFAOYSA-N 2 2 318.509 4.034 20 0 DIADLP CC(C)c1cc(N2CCC[N@H+](C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000536389032 332237311 /nfs/dbraw/zinc/23/73/11/332237311.db2.gz NJBVORAFXDEZHW-UHFFFAOYSA-N 2 2 318.509 4.034 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(C)sc1C)CCC2 ZINC000363757353 332241497 /nfs/dbraw/zinc/24/14/97/332241497.db2.gz LQHREWHOFCQVPO-ZFWWWQNUSA-N 2 2 303.475 4.098 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(C)sc1C)CCC2 ZINC000363757351 332241530 /nfs/dbraw/zinc/24/15/30/332241530.db2.gz LQHREWHOFCQVPO-UKRRQHHQSA-N 2 2 303.475 4.098 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(C)sc1C)CCC2 ZINC000363757349 332241580 /nfs/dbraw/zinc/24/15/80/332241580.db2.gz LQHREWHOFCQVPO-HIFRSBDPSA-N 2 2 303.475 4.098 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000559722571 332277877 /nfs/dbraw/zinc/27/78/77/332277877.db2.gz XXKPDWAMMVNKAC-HKUYNNGSSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000559722571 332277878 /nfs/dbraw/zinc/27/78/78/332277878.db2.gz XXKPDWAMMVNKAC-HKUYNNGSSA-N 2 2 314.860 4.265 20 0 DIADLP CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559740169 332278403 /nfs/dbraw/zinc/27/84/03/332278403.db2.gz SXUXHCOSFFHDDY-VQTJNVASSA-N 2 2 324.468 4.010 20 0 DIADLP CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559740169 332278404 /nfs/dbraw/zinc/27/84/04/332278404.db2.gz SXUXHCOSFFHDDY-VQTJNVASSA-N 2 2 324.468 4.010 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)c[nH+]1 ZINC000559739070 332279068 /nfs/dbraw/zinc/27/90/68/332279068.db2.gz HLDMKTAAGNULPZ-LJQANCHMSA-N 2 2 309.457 4.134 20 0 DIADLP CCc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C(C)C)cc1 ZINC000560270687 332326006 /nfs/dbraw/zinc/32/60/06/332326006.db2.gz QBBNOAPILZKSPQ-FQEVSTJZSA-N 2 2 311.473 4.269 20 0 DIADLP CCCC[C@@H](C)[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000561773098 332494270 /nfs/dbraw/zinc/49/42/70/332494270.db2.gz YLOVTENIZOTMKP-MSOLQXFVSA-N 2 2 313.489 4.278 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858096 332543448 /nfs/dbraw/zinc/54/34/48/332543448.db2.gz SCHUFUXBWHUKKM-ZBFHGGJFSA-N 2 2 315.486 4.049 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858092 332543566 /nfs/dbraw/zinc/54/35/66/332543566.db2.gz SCHUFUXBWHUKKM-GDBMZVCRSA-N 2 2 315.486 4.049 20 0 DIADLP CC(C)(C)C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427860482 332545277 /nfs/dbraw/zinc/54/52/77/332545277.db2.gz AHKOQWLBYPEBEL-IAGOWNOFSA-N 2 2 315.436 4.104 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427871300 332551731 /nfs/dbraw/zinc/55/17/31/332551731.db2.gz AGNIGWFJOGGKOB-HUUCEWRRSA-N 2 2 323.440 4.166 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000151658501 332599927 /nfs/dbraw/zinc/59/99/27/332599927.db2.gz UKFKZBILURTGQF-CABCVRRESA-N 2 2 309.388 4.423 20 0 DIADLP C[C@H](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000378872485 333058185 /nfs/dbraw/zinc/05/81/85/333058185.db2.gz RGDPDGDTUIBPPP-QGZVFWFLSA-N 2 2 305.425 4.156 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000314288603 333098722 /nfs/dbraw/zinc/09/87/22/333098722.db2.gz CESHTROBSARHFK-ZDUSSCGKSA-N 2 2 313.832 4.349 20 0 DIADLP Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000462733032 333099159 /nfs/dbraw/zinc/09/91/59/333099159.db2.gz GIJXYWUMIVPJKU-SFHVURJKSA-N 2 2 319.452 4.210 20 0 DIADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000314354394 333104804 /nfs/dbraw/zinc/10/48/04/333104804.db2.gz LZEWDLXQUBKYMB-MSOLQXFVSA-N 2 2 312.482 4.116 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776523 333147470 /nfs/dbraw/zinc/14/74/70/333147470.db2.gz BCXSXMOWMMFZME-NQIIRXRSSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776523 333147472 /nfs/dbraw/zinc/14/74/72/333147472.db2.gz BCXSXMOWMMFZME-NQIIRXRSSA-N 2 2 308.469 4.229 20 0 DIADLP CC(C)Oc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000187919265 333153218 /nfs/dbraw/zinc/15/32/18/333153218.db2.gz YWKBEYTUIFVFKN-GDBMZVCRSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000187919265 333153220 /nfs/dbraw/zinc/15/32/20/333153220.db2.gz YWKBEYTUIFVFKN-GDBMZVCRSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000187919265 333153222 /nfs/dbraw/zinc/15/32/22/333153222.db2.gz YWKBEYTUIFVFKN-GDBMZVCRSA-N 2 2 324.896 4.042 20 0 DIADLP CC(C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000187919265 333153224 /nfs/dbraw/zinc/15/32/24/333153224.db2.gz YWKBEYTUIFVFKN-GDBMZVCRSA-N 2 2 324.896 4.042 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000390304371 333263735 /nfs/dbraw/zinc/26/37/35/333263735.db2.gz MDDNUGOBGJJNPR-DLBZAZTESA-N 2 2 305.425 4.289 20 0 DIADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390564920 333300866 /nfs/dbraw/zinc/30/08/66/333300866.db2.gz ORWWFJCDFSUDGQ-YLJYHZDGSA-N 2 2 324.468 4.010 20 0 DIADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390564920 333300867 /nfs/dbraw/zinc/30/08/67/333300867.db2.gz ORWWFJCDFSUDGQ-YLJYHZDGSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390576053 333302802 /nfs/dbraw/zinc/30/28/02/333302802.db2.gz FNSMOWPRIQGRND-XLIONFOSSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390576053 333302803 /nfs/dbraw/zinc/30/28/03/333302803.db2.gz FNSMOWPRIQGRND-XLIONFOSSA-N 2 2 324.468 4.010 20 0 DIADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)sc1Cl ZINC000221831998 333368551 /nfs/dbraw/zinc/36/85/51/333368551.db2.gz XQUKZBWXXWYYSW-JTQLQIEISA-N 2 2 307.290 4.191 20 0 DIADLP c1ccc([C@@H](C[NH2+][C@@H]2CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000319841263 333412491 /nfs/dbraw/zinc/41/24/91/333412491.db2.gz OPWUVAMRMFRUEU-NHCUHLMSSA-N 2 2 306.453 4.101 20 0 DIADLP COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000531692591 333546003 /nfs/dbraw/zinc/54/60/03/333546003.db2.gz IERWKPNEHHVRQQ-LAUBAEHRSA-N 2 2 324.468 4.183 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000531718369 333550382 /nfs/dbraw/zinc/55/03/82/333550382.db2.gz WRTMVYGJCCDJBO-NVXWUHKLSA-N 2 2 318.505 4.052 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000531718368 333550392 /nfs/dbraw/zinc/55/03/92/333550392.db2.gz WRTMVYGJCCDJBO-DOTOQJQBSA-N 2 2 318.505 4.052 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414105540 333897193 /nfs/dbraw/zinc/89/71/93/333897193.db2.gz PQPYCZWPJROKTO-HNNXBMFYSA-N 2 2 323.465 4.407 20 0 DIADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1C(F)(F)F ZINC000414376894 333949991 /nfs/dbraw/zinc/94/99/91/333949991.db2.gz DJPQQOWREQMECJ-UHFFFAOYSA-N 2 2 323.362 4.117 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000276483508 334079609 /nfs/dbraw/zinc/07/96/09/334079609.db2.gz SOGGRPLVKILVCG-HXUWFJFHSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000276483508 334079611 /nfs/dbraw/zinc/07/96/11/334079611.db2.gz SOGGRPLVKILVCG-HXUWFJFHSA-N 2 2 309.457 4.335 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000343507571 335172573 /nfs/dbraw/zinc/17/25/73/335172573.db2.gz IPMWKRMNJLWXSF-IERDGZPVSA-N 2 2 317.436 4.270 20 0 DIADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000414815383 334106583 /nfs/dbraw/zinc/10/65/83/334106583.db2.gz XKDIGZPWFXMOIT-RDTXWAMCSA-N 2 2 318.411 4.062 20 0 DIADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000414815378 334106597 /nfs/dbraw/zinc/10/65/97/334106597.db2.gz XKDIGZPWFXMOIT-KDOFPFPSSA-N 2 2 318.411 4.062 20 0 DIADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C)c1 ZINC000323708374 334139799 /nfs/dbraw/zinc/13/97/99/334139799.db2.gz HUUYMLRHQUDJGR-IBGZPJMESA-N 2 2 309.457 4.100 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCCC13CCCC3)CCC2 ZINC000340251926 334157342 /nfs/dbraw/zinc/15/73/42/334157342.db2.gz JAULDIMDYSJOJJ-DLBZAZTESA-N 2 2 301.478 4.162 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000534471241 334267609 /nfs/dbraw/zinc/26/76/09/334267609.db2.gz AQLNXNXMGNOLGV-IBGZPJMESA-N 2 2 319.452 4.052 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000534471241 334267610 /nfs/dbraw/zinc/26/76/10/334267610.db2.gz AQLNXNXMGNOLGV-IBGZPJMESA-N 2 2 319.452 4.052 20 0 DIADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415107535 334281665 /nfs/dbraw/zinc/28/16/65/334281665.db2.gz JCUPASKHJHSMST-KPFFTGBYSA-N 2 2 324.468 4.148 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCC2 ZINC000531939152 334299702 /nfs/dbraw/zinc/29/97/02/334299702.db2.gz AOTUEMLQGAAXQW-SFHVURJKSA-N 2 2 317.864 4.374 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000531943585 334299888 /nfs/dbraw/zinc/29/98/88/334299888.db2.gz CTHFOSBUWPZCCF-RBZFPXEDSA-N 2 2 323.415 4.007 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000531943586 334299939 /nfs/dbraw/zinc/29/99/39/334299939.db2.gz CTHFOSBUWPZCCF-RNODOKPDSA-N 2 2 323.415 4.007 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc2cc[nH]c21)[NH+](C)C ZINC000443010617 338442087 /nfs/dbraw/zinc/44/20/87/338442087.db2.gz BYWXBLLCPXZYTE-KKSFZXQISA-N 2 2 321.468 4.257 20 0 DIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000531967128 334325584 /nfs/dbraw/zinc/32/55/84/334325584.db2.gz YGBWZKDBQXHBIW-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@H](c1ccccc1Cl)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534858711 334341667 /nfs/dbraw/zinc/34/16/67/334341667.db2.gz BILVAWYPFZNAFX-CQSZACIVSA-N 2 2 315.848 4.373 20 0 DIADLP c1ccc(NC2CC[NH+](Cc3ccc4ccccc4c3)CC2)[nH+]c1 ZINC000534862462 334341677 /nfs/dbraw/zinc/34/16/77/334341677.db2.gz JJDYAWIWYYXJCD-UHFFFAOYSA-N 2 2 317.436 4.311 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000342318718 334532128 /nfs/dbraw/zinc/53/21/28/334532128.db2.gz IKSQSJWCLUZUKI-IBGZPJMESA-N 2 2 323.465 4.409 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000344077236 335215539 /nfs/dbraw/zinc/21/55/39/335215539.db2.gz ZBPDWKJBVGWUNE-IBGZPJMESA-N 2 2 321.399 4.179 20 0 DIADLP c1cn(-c2csc(C[NH2+]C3(c4ccccc4)CCC3)c2)c[nH+]1 ZINC000344122524 335219192 /nfs/dbraw/zinc/21/91/92/335219192.db2.gz TVIHWWVVHYMDIM-UHFFFAOYSA-N 2 2 309.438 4.103 20 0 DIADLP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3ccccc3)s1)CCC2 ZINC000344524234 335254985 /nfs/dbraw/zinc/25/49/85/335254985.db2.gz YATYHCRDDPRAQP-MRXNPFEDSA-N 2 2 323.465 4.279 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC(C(C)(C)C)CC1)CCC2 ZINC000344506071 335257323 /nfs/dbraw/zinc/25/73/23/335257323.db2.gz AIYZQPNAQANMGE-GTPINHCMSA-N 2 2 303.494 4.263 20 0 DIADLP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000344543248 335260567 /nfs/dbraw/zinc/26/05/67/335260567.db2.gz PKWRVHNNXMYZGL-HNNXBMFYSA-N 2 2 323.440 4.167 20 0 DIADLP CC[N@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000345201956 335307484 /nfs/dbraw/zinc/30/74/84/335307484.db2.gz LJXONPMTQCUCBO-KRWDZBQOSA-N 2 2 321.534 4.155 20 0 DIADLP CC[N@@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000345201956 335307486 /nfs/dbraw/zinc/30/74/86/335307486.db2.gz LJXONPMTQCUCBO-KRWDZBQOSA-N 2 2 321.534 4.155 20 0 DIADLP CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156276 335383335 /nfs/dbraw/zinc/38/33/35/335383335.db2.gz ANGFNXRPWHYKSW-UKRRQHHQSA-N 2 2 321.515 4.040 20 0 DIADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156276 335383336 /nfs/dbraw/zinc/38/33/36/335383336.db2.gz ANGFNXRPWHYKSW-UKRRQHHQSA-N 2 2 321.515 4.040 20 0 DIADLP Cc1ccccc1[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346167005 335384259 /nfs/dbraw/zinc/38/42/59/335384259.db2.gz JUFYXWLGNJTLKN-INIZCTEOSA-N 2 2 323.465 4.232 20 0 DIADLP Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346167005 335384261 /nfs/dbraw/zinc/38/42/61/335384261.db2.gz JUFYXWLGNJTLKN-INIZCTEOSA-N 2 2 323.465 4.232 20 0 DIADLP C[N@H+](Cc1cc2ccccc2o1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346168505 335384734 /nfs/dbraw/zinc/38/47/34/335384734.db2.gz LHKXXSPMFFOQFD-UHFFFAOYSA-N 2 2 323.421 4.312 20 0 DIADLP C[N@@H+](Cc1cc2ccccc2o1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346168505 335384735 /nfs/dbraw/zinc/38/47/35/335384735.db2.gz LHKXXSPMFFOQFD-UHFFFAOYSA-N 2 2 323.421 4.312 20 0 DIADLP c1csc([C@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346198947 335389203 /nfs/dbraw/zinc/38/92/03/335389203.db2.gz FZZGUADSBJHYHQ-OAHLLOKOSA-N 2 2 315.467 4.332 20 0 DIADLP c1csc([C@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346198947 335389204 /nfs/dbraw/zinc/38/92/04/335389204.db2.gz FZZGUADSBJHYHQ-OAHLLOKOSA-N 2 2 315.467 4.332 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000348041635 335547266 /nfs/dbraw/zinc/54/72/66/335547266.db2.gz NOYGQMKZUVYVNG-KRWDZBQOSA-N 2 2 316.445 4.288 20 0 DIADLP c1cn(Cc2ccc(N[C@@H]3CC[C@H](c4ccccc4)C3)[nH+]c2)c[nH+]1 ZINC000348836424 335611993 /nfs/dbraw/zinc/61/19/93/335611993.db2.gz WDJNEHMJTWTURN-RBUKOAKNSA-N 2 2 318.424 4.075 20 0 DIADLP CCSc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000349602016 335683702 /nfs/dbraw/zinc/68/37/02/335683702.db2.gz UTHAUCHZLIRLMX-UHFFFAOYSA-N 2 2 315.486 4.176 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2ncccc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349673012 335691222 /nfs/dbraw/zinc/69/12/22/335691222.db2.gz VFLXJPYIHOGHIC-KKSFZXQISA-N 2 2 319.452 4.016 20 0 DIADLP Cc1sccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000351447708 336035694 /nfs/dbraw/zinc/03/56/94/336035694.db2.gz DMWXPRPXNDRUKH-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1sccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000351447708 336035696 /nfs/dbraw/zinc/03/56/96/336035696.db2.gz DMWXPRPXNDRUKH-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Clc1oc2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000352337977 336213127 /nfs/dbraw/zinc/21/31/27/336213127.db2.gz MZGCUKROZKDFFX-LBPRGKRZSA-N 2 2 315.804 4.189 20 0 DIADLP Clc1oc2ccccc2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000352337977 336213128 /nfs/dbraw/zinc/21/31/28/336213128.db2.gz MZGCUKROZKDFFX-LBPRGKRZSA-N 2 2 315.804 4.189 20 0 DIADLP Clc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000352337976 336213158 /nfs/dbraw/zinc/21/31/58/336213158.db2.gz MZGCUKROZKDFFX-GFCCVEGCSA-N 2 2 315.804 4.189 20 0 DIADLP Clc1oc2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000352337976 336213159 /nfs/dbraw/zinc/21/31/59/336213159.db2.gz MZGCUKROZKDFFX-GFCCVEGCSA-N 2 2 315.804 4.189 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000352364601 336214401 /nfs/dbraw/zinc/21/44/01/336214401.db2.gz GNWKMARIDTUNMK-UHFFFAOYSA-N 2 2 322.861 4.148 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000352365649 336214519 /nfs/dbraw/zinc/21/45/19/336214519.db2.gz VBRSUEFBZLJLMH-OAHLLOKOSA-N 2 2 314.404 4.134 20 0 DIADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4sccc4c3)cc2)c[nH+]1 ZINC000352446017 336219372 /nfs/dbraw/zinc/21/93/72/336219372.db2.gz AQBGBWYKZYDIDT-UHFFFAOYSA-N 2 2 319.433 4.377 20 0 DIADLP CC(C)C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccs1 ZINC000532451787 336249960 /nfs/dbraw/zinc/24/99/60/336249960.db2.gz DJOBFKGPPJSQQL-INIZCTEOSA-N 2 2 313.470 4.315 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000532498263 336251188 /nfs/dbraw/zinc/25/11/88/336251188.db2.gz RZPWRTRYDMCENB-AWEZNQCLSA-N 2 2 303.837 4.278 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375261 336261581 /nfs/dbraw/zinc/26/15/81/336261581.db2.gz XFCGLIHBZKUUDH-FTEYMNFISA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375261 336261582 /nfs/dbraw/zinc/26/15/82/336261582.db2.gz XFCGLIHBZKUUDH-FTEYMNFISA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375261 336261583 /nfs/dbraw/zinc/26/15/83/336261583.db2.gz XFCGLIHBZKUUDH-FTEYMNFISA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375261 336261584 /nfs/dbraw/zinc/26/15/84/336261584.db2.gz XFCGLIHBZKUUDH-FTEYMNFISA-N 2 2 300.490 4.127 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)cc1 ZINC000324918395 336273742 /nfs/dbraw/zinc/27/37/42/336273742.db2.gz YZEFDSZDUUZKJW-SFTDATJTSA-N 2 2 322.452 4.195 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2)cc1 ZINC000324918395 336273743 /nfs/dbraw/zinc/27/37/43/336273743.db2.gz YZEFDSZDUUZKJW-SFTDATJTSA-N 2 2 322.452 4.195 20 0 DIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000192872920 336278463 /nfs/dbraw/zinc/27/84/63/336278463.db2.gz IUAJIUMJKLAPQA-JXFKEZNVSA-N 2 2 324.468 4.472 20 0 DIADLP Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000325254218 336281975 /nfs/dbraw/zinc/28/19/75/336281975.db2.gz WHBJRKODOUJFGT-MRXNPFEDSA-N 2 2 323.415 4.213 20 0 DIADLP CCN(CC)c1ccc(CNc2cc[nH+]c3cc(F)ccc23)c[nH+]1 ZINC000301280199 336298508 /nfs/dbraw/zinc/29/85/08/336298508.db2.gz PVEUVCPKFGYQDH-UHFFFAOYSA-N 2 2 324.403 4.227 20 0 DIADLP Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301475137 336309221 /nfs/dbraw/zinc/30/92/21/336309221.db2.gz NKBIOAHVJWQFKC-UHFFFAOYSA-N 2 2 316.493 4.117 20 0 DIADLP C[C@H]1CCC[N@H+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301508791 336311305 /nfs/dbraw/zinc/31/13/05/336311305.db2.gz JYALHPAOUIBOHV-ZDUSSCGKSA-N 2 2 315.383 4.024 20 0 DIADLP C[C@H]1CCC[N@@H+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301508791 336311306 /nfs/dbraw/zinc/31/13/06/336311306.db2.gz JYALHPAOUIBOHV-ZDUSSCGKSA-N 2 2 315.383 4.024 20 0 DIADLP CC(C)Cn1cc[nH+]c1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000301738795 336326700 /nfs/dbraw/zinc/32/67/00/336326700.db2.gz CROCPKBRZMFPAQ-UHFFFAOYSA-N 2 2 314.820 4.353 20 0 DIADLP CCc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301786011 336329812 /nfs/dbraw/zinc/32/98/12/336329812.db2.gz LCSJZULLTIWXCP-YWZLYKJASA-N 2 2 320.440 4.081 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000301871033 336335394 /nfs/dbraw/zinc/33/53/94/336335394.db2.gz ISNJKFWIBJONTK-ZDUSSCGKSA-N 2 2 317.396 4.230 20 0 DIADLP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834247 336371321 /nfs/dbraw/zinc/37/13/21/336371321.db2.gz SYCMJWRIUWSWSI-WBVHZDCISA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834247 336371322 /nfs/dbraw/zinc/37/13/22/336371322.db2.gz SYCMJWRIUWSWSI-WBVHZDCISA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834245 336371369 /nfs/dbraw/zinc/37/13/69/336371369.db2.gz SYCMJWRIUWSWSI-NVXWUHKLSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834245 336371370 /nfs/dbraw/zinc/37/13/70/336371370.db2.gz SYCMJWRIUWSWSI-NVXWUHKLSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](CCC(C)C)c1ccoc1)CCC2 ZINC000353510809 336421546 /nfs/dbraw/zinc/42/15/46/336421546.db2.gz ACFRMMYKCUAOCZ-FUHWJXTLSA-N 2 2 315.461 4.429 20 0 DIADLP Cc1sc(C[NH2+]CCCc2ccc(C)[nH+]c2)nc1C(C)C ZINC000354354987 336468006 /nfs/dbraw/zinc/46/80/06/336468006.db2.gz ZIBLNMTUVRKMDY-UHFFFAOYSA-N 2 2 303.475 4.001 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CC(C)(C)CC(C)(C)C1)CCC2 ZINC000355675904 336518873 /nfs/dbraw/zinc/51/88/73/336518873.db2.gz WGMBDBRTEYHYRY-HNNXBMFYSA-N 2 2 303.494 4.263 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000358223169 336617760 /nfs/dbraw/zinc/61/77/60/336617760.db2.gz OZFICWTUDXRNOV-BEFAXECRSA-N 2 2 305.425 4.105 20 0 DIADLP Cc1ccsc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359312689 336667216 /nfs/dbraw/zinc/66/72/16/336667216.db2.gz OOBAGEZPLVNTGM-HNNXBMFYSA-N 2 2 311.454 4.136 20 0 DIADLP CC(C)C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000360028181 336698395 /nfs/dbraw/zinc/69/83/95/336698395.db2.gz CPZONWAYWXESJU-IBGZPJMESA-N 2 2 311.473 4.139 20 0 DIADLP Cc1cnc([C@H](C)[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)o1 ZINC000361346076 336752499 /nfs/dbraw/zinc/75/24/99/336752499.db2.gz MFEFBOKALGFRDP-AWEZNQCLSA-N 2 2 324.428 4.039 20 0 DIADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)cc1 ZINC000361659996 336767566 /nfs/dbraw/zinc/76/75/66/336767566.db2.gz JDIFUHVNSKENHU-WBVHZDCISA-N 2 2 317.864 4.463 20 0 DIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199457 336983639 /nfs/dbraw/zinc/98/36/39/336983639.db2.gz IZBFDAYPABWYNA-GFCCVEGCSA-N 2 2 323.362 4.369 20 0 DIADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000375840224 337020833 /nfs/dbraw/zinc/02/08/33/337020833.db2.gz OOSNXIHAUMSWRL-QZTJIDSGSA-N 2 2 323.484 4.266 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798942 337061395 /nfs/dbraw/zinc/06/13/95/337061395.db2.gz OTMIXEXWTDIPRW-GWCFXTLKSA-N 2 2 315.804 4.017 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798942 337061396 /nfs/dbraw/zinc/06/13/96/337061396.db2.gz OTMIXEXWTDIPRW-GWCFXTLKSA-N 2 2 315.804 4.017 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)CCC2 ZINC000377838481 337062353 /nfs/dbraw/zinc/06/23/53/337062353.db2.gz ZIEKEJBZAYWULY-ZDUSSCGKSA-N 2 2 324.255 4.166 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccoc1 ZINC000178795166 337165018 /nfs/dbraw/zinc/16/50/18/337165018.db2.gz VWQNLKMBKLMREJ-VBQJREDUSA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccoc1 ZINC000178795166 337165019 /nfs/dbraw/zinc/16/50/19/337165019.db2.gz VWQNLKMBKLMREJ-VBQJREDUSA-N 2 2 304.459 4.075 20 0 DIADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180610761 337176673 /nfs/dbraw/zinc/17/66/73/337176673.db2.gz DZGTXOAXKSYMMY-RDTXWAMCSA-N 2 2 309.413 4.021 20 0 DIADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180610761 337176674 /nfs/dbraw/zinc/17/66/74/337176674.db2.gz DZGTXOAXKSYMMY-RDTXWAMCSA-N 2 2 309.413 4.021 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106292 337198830 /nfs/dbraw/zinc/19/88/30/337198830.db2.gz IXKGSZIKSDRONL-OXQOHEQNSA-N 2 2 306.453 4.241 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106292 337198831 /nfs/dbraw/zinc/19/88/31/337198831.db2.gz IXKGSZIKSDRONL-OXQOHEQNSA-N 2 2 306.453 4.241 20 0 DIADLP C[C@@H](Cc1ccsc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000582931722 337215812 /nfs/dbraw/zinc/21/58/12/337215812.db2.gz BTEHMTPSTKKMCB-INIZCTEOSA-N 2 2 317.502 4.068 20 0 DIADLP C[C@H](Cc1ccsc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000582931724 337215868 /nfs/dbraw/zinc/21/58/68/337215868.db2.gz BTEHMTPSTKKMCB-MRXNPFEDSA-N 2 2 317.502 4.068 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000321435185 337264933 /nfs/dbraw/zinc/26/49/33/337264933.db2.gz FFEYSOYPPCKAHM-OAHLLOKOSA-N 2 2 312.457 4.102 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000321435185 337264934 /nfs/dbraw/zinc/26/49/34/337264934.db2.gz FFEYSOYPPCKAHM-OAHLLOKOSA-N 2 2 312.457 4.102 20 0 DIADLP c1ccc(NCCCC[NH2+]Cc2ccc(C3CCC3)cc2)[nH+]c1 ZINC000583275981 337301491 /nfs/dbraw/zinc/30/14/91/337301491.db2.gz GLSJVHYUEIDFMR-UHFFFAOYSA-N 2 2 309.457 4.331 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1c(C)noc1C ZINC000192179602 337303752 /nfs/dbraw/zinc/30/37/52/337303752.db2.gz SCEMIEMWIOQZOA-SFHVURJKSA-N 2 2 324.428 4.026 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000583877820 337369078 /nfs/dbraw/zinc/36/90/78/337369078.db2.gz ZEKGIMOTGCDJMU-WMZOPIPTSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000571956969 337583290 /nfs/dbraw/zinc/58/32/90/337583290.db2.gz OVWFDCLEBXYJEU-SFHVURJKSA-N 2 2 308.469 4.423 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1Cl ZINC000421839287 337652859 /nfs/dbraw/zinc/65/28/59/337652859.db2.gz WNDGASLMCPROQT-CQSZACIVSA-N 2 2 321.896 4.183 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000422727032 337684428 /nfs/dbraw/zinc/68/44/28/337684428.db2.gz BHIMDWGKHUVCIN-JKSUJKDBSA-N 2 2 307.224 4.228 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422785035 337686653 /nfs/dbraw/zinc/68/66/53/337686653.db2.gz QMQLOFAFUAXWTB-RZQQEMMASA-N 2 2 324.468 4.153 20 0 DIADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cc(F)ccc1F ZINC000422919978 337691414 /nfs/dbraw/zinc/69/14/14/337691414.db2.gz LIAOQQRJEYIGFF-BZSNNMDCSA-N 2 2 302.368 4.150 20 0 DIADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423367437 337714782 /nfs/dbraw/zinc/71/47/82/337714782.db2.gz ALLORZWJAGTLOI-CVEARBPZSA-N 2 2 312.457 4.011 20 0 DIADLP Cc1cc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)oc2cc1C ZINC000092648759 337906881 /nfs/dbraw/zinc/90/68/81/337906881.db2.gz WNZIGQAJBJSOBP-UHFFFAOYSA-N 2 2 309.413 4.083 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cnccc2C)[NH+]2CCCC2)cc1 ZINC000537883526 337964404 /nfs/dbraw/zinc/96/44/04/337964404.db2.gz VLFVADLIPBIWKC-WIYYLYMNSA-N 2 2 323.484 4.186 20 0 DIADLP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000516214776 338007641 /nfs/dbraw/zinc/00/76/41/338007641.db2.gz ZVOHIJZTROSNLA-PXNSSMCTSA-N 2 2 311.473 4.236 20 0 DIADLP COc1ccc([C@H](C)CC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000516347555 338010356 /nfs/dbraw/zinc/01/03/56/338010356.db2.gz BPTCGBGFJWPXQW-MRXNPFEDSA-N 2 2 312.457 4.115 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543372 338083535 /nfs/dbraw/zinc/08/35/35/338083535.db2.gz UGXXNOIPQPEPNL-JSGCOSHPSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543372 338083536 /nfs/dbraw/zinc/08/35/36/338083536.db2.gz UGXXNOIPQPEPNL-JSGCOSHPSA-N 2 2 315.288 4.471 20 0 DIADLP COc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]ccc2C)cc1 ZINC000429834949 338090932 /nfs/dbraw/zinc/09/09/32/338090932.db2.gz WELRHPZCGJDFLW-HXUWFJFHSA-N 2 2 310.441 4.168 20 0 DIADLP COc1ccc([C@H]2CCC[N@H+]2CCCc2c[nH+]ccc2C)cc1 ZINC000429834949 338090933 /nfs/dbraw/zinc/09/09/33/338090933.db2.gz WELRHPZCGJDFLW-HXUWFJFHSA-N 2 2 310.441 4.168 20 0 DIADLP CCSc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000430211073 338101668 /nfs/dbraw/zinc/10/16/68/338101668.db2.gz WPULHWHQFKXHEQ-UHFFFAOYSA-N 2 2 300.471 4.224 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432245835 338150502 /nfs/dbraw/zinc/15/05/02/338150502.db2.gz KWXSPDMTEVFALJ-UHFFFAOYSA-N 2 2 319.251 4.097 20 0 DIADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432248928 338150768 /nfs/dbraw/zinc/15/07/68/338150768.db2.gz ANXJZLCBQCPSMB-MNOVXSKESA-N 2 2 307.290 4.017 20 0 DIADLP Cc1ccc(CSCC[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000433034830 338177491 /nfs/dbraw/zinc/17/74/91/338177491.db2.gz JDGUQTYENNYDOL-UHFFFAOYSA-N 2 2 300.471 4.064 20 0 DIADLP Cc1ccc(CSCC[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000433034830 338177492 /nfs/dbraw/zinc/17/74/92/338177492.db2.gz JDGUQTYENNYDOL-UHFFFAOYSA-N 2 2 300.471 4.064 20 0 DIADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000434764834 338225212 /nfs/dbraw/zinc/22/52/12/338225212.db2.gz JZFFSVRKIHENQL-KXBFYZLASA-N 2 2 318.480 4.204 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000434764831 338225215 /nfs/dbraw/zinc/22/52/15/338225215.db2.gz JZFFSVRKIHENQL-DNVCBOLYSA-N 2 2 318.480 4.204 20 0 DIADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]2c2ccccc2)n1-c1ccccc1 ZINC000434979715 338228606 /nfs/dbraw/zinc/22/86/06/338228606.db2.gz WFWRYIBKMCFVEO-FQEVSTJZSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]2c2ccccc2)n1-c1ccccc1 ZINC000434979715 338228607 /nfs/dbraw/zinc/22/86/07/338228607.db2.gz WFWRYIBKMCFVEO-FQEVSTJZSA-N 2 2 303.409 4.128 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000436283279 338265811 /nfs/dbraw/zinc/26/58/11/338265811.db2.gz JFTFNGPOPCSTPL-VDGAXYAQSA-N 2 2 317.436 4.469 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592878 338315323 /nfs/dbraw/zinc/31/53/23/338315323.db2.gz RVQPCCAJDVETTP-HQRMLTQVSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592878 338315324 /nfs/dbraw/zinc/31/53/24/338315324.db2.gz RVQPCCAJDVETTP-HQRMLTQVSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000438107415 338332011 /nfs/dbraw/zinc/33/20/11/338332011.db2.gz VYKBEEIQJLLQAM-CWJKEVGVSA-N 2 2 323.484 4.276 20 0 DIADLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000438107415 338332012 /nfs/dbraw/zinc/33/20/12/338332012.db2.gz VYKBEEIQJLLQAM-CWJKEVGVSA-N 2 2 323.484 4.276 20 0 DIADLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000438107416 338332038 /nfs/dbraw/zinc/33/20/38/338332038.db2.gz VYKBEEIQJLLQAM-PBASOCQRSA-N 2 2 323.484 4.276 20 0 DIADLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000438107416 338332039 /nfs/dbraw/zinc/33/20/39/338332039.db2.gz VYKBEEIQJLLQAM-PBASOCQRSA-N 2 2 323.484 4.276 20 0 DIADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438487616 338345908 /nfs/dbraw/zinc/34/59/08/338345908.db2.gz TUXPFYTVQXOGNB-CYBMUJFWSA-N 2 2 317.380 4.000 20 0 DIADLP Cc1ccccc1CCC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000440058474 338383012 /nfs/dbraw/zinc/38/30/12/338383012.db2.gz YPKHGWLTOYMHLQ-ZJOUEHCJSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000440058474 338383013 /nfs/dbraw/zinc/38/30/13/338383013.db2.gz YPKHGWLTOYMHLQ-ZJOUEHCJSA-N 2 2 314.517 4.265 20 0 DIADLP C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000442636770 338426358 /nfs/dbraw/zinc/42/63/58/338426358.db2.gz URTRGZISONXXAL-JEYLPNPQSA-N 2 2 319.399 4.347 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000449296132 338610508 /nfs/dbraw/zinc/61/05/08/338610508.db2.gz YBUABUJDAZVNPG-GRTSSRMGSA-N 2 2 320.443 4.206 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449405603 338621511 /nfs/dbraw/zinc/62/15/11/338621511.db2.gz MLSITQVFJOSYTO-HUUCEWRRSA-N 2 2 320.443 4.209 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459330992 339022231 /nfs/dbraw/zinc/02/22/31/339022231.db2.gz SVCJSVDYTKTCJH-NXIXHYNASA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459330992 339022232 /nfs/dbraw/zinc/02/22/32/339022232.db2.gz SVCJSVDYTKTCJH-NXIXHYNASA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459330992 339022233 /nfs/dbraw/zinc/02/22/33/339022233.db2.gz SVCJSVDYTKTCJH-NXIXHYNASA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459330992 339022234 /nfs/dbraw/zinc/02/22/34/339022234.db2.gz SVCJSVDYTKTCJH-NXIXHYNASA-N 2 2 312.501 4.127 20 0 DIADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000459348561 339023663 /nfs/dbraw/zinc/02/36/63/339023663.db2.gz YXKWMWVPUFMGEN-UHFFFAOYSA-N 2 2 317.864 4.061 20 0 DIADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000459348561 339023664 /nfs/dbraw/zinc/02/36/64/339023664.db2.gz YXKWMWVPUFMGEN-UHFFFAOYSA-N 2 2 317.864 4.061 20 0 DIADLP c1cn(CCCC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c[nH+]1 ZINC000459560805 339035780 /nfs/dbraw/zinc/03/57/80/339035780.db2.gz ODWNFTDLRPCTAL-SFTDATJTSA-N 2 2 323.484 4.179 20 0 DIADLP CCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000459757022 339046565 /nfs/dbraw/zinc/04/65/65/339046565.db2.gz GHWFNFLCVZMONH-MRXNPFEDSA-N 2 2 320.443 4.352 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CCCC[C@@H]3c3ccccc3)c[nH+]c12 ZINC000462354716 339076362 /nfs/dbraw/zinc/07/63/62/339076362.db2.gz BBHMCPHALNBJGI-UXHICEINSA-N 2 2 319.452 4.459 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000462663128 339083609 /nfs/dbraw/zinc/08/36/09/339083609.db2.gz ZGRHTEXVJCZZIO-IKGGRYGDSA-N 2 2 306.519 4.443 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000462663130 339083645 /nfs/dbraw/zinc/08/36/45/339083645.db2.gz ZGRHTEXVJCZZIO-ZACQAIPSSA-N 2 2 306.519 4.443 20 0 DIADLP Cc1ccoc1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000462724896 339084913 /nfs/dbraw/zinc/08/49/13/339084913.db2.gz JNFJXCZGXDVVRC-KRWDZBQOSA-N 2 2 312.457 4.341 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CC(C)(C)C1 ZINC000462745853 339086621 /nfs/dbraw/zinc/08/66/21/339086621.db2.gz REJVZPBQNPCQLN-CVEARBPZSA-N 2 2 313.489 4.310 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)c[nH+]c12 ZINC000462750317 339086677 /nfs/dbraw/zinc/08/66/77/339086677.db2.gz YLBNHDYDXXUWFO-QUCCMNQESA-N 2 2 319.452 4.144 20 0 DIADLP CCOC[C@H]1CCC[C@H]1[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000463028452 339101569 /nfs/dbraw/zinc/10/15/69/339101569.db2.gz ASQAZSVZLQPGDT-VQIMIIECSA-N 2 2 313.445 4.106 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCO[C@H](C(C)C)C3)cc2)c1C ZINC000463035388 339102183 /nfs/dbraw/zinc/10/21/83/339102183.db2.gz HIRMYIVFAFJVCI-MJGOQNOKSA-N 2 2 313.445 4.105 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC2CCCC2)CC1 ZINC000463076737 339104499 /nfs/dbraw/zinc/10/44/99/339104499.db2.gz YYCXZKINORRRNV-UHFFFAOYSA-N 2 2 306.881 4.084 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463113511 339106285 /nfs/dbraw/zinc/10/62/85/339106285.db2.gz YUVIEYHLHHUHCZ-GDBMZVCRSA-N 2 2 320.443 4.208 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000463150651 339107218 /nfs/dbraw/zinc/10/72/18/339107218.db2.gz XDKZCFFCNZPGGU-SFHVURJKSA-N 2 2 311.473 4.247 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000463150651 339107219 /nfs/dbraw/zinc/10/72/19/339107219.db2.gz XDKZCFFCNZPGGU-SFHVURJKSA-N 2 2 311.473 4.247 20 0 DIADLP CC1(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000463241357 339111304 /nfs/dbraw/zinc/11/13/04/339111304.db2.gz BQMWYRWJXPPTPS-UHFFFAOYSA-N 2 2 306.881 4.084 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cc1 ZINC000463246229 339111755 /nfs/dbraw/zinc/11/17/55/339111755.db2.gz VDPJQRZMXNYSGE-GOSISDBHSA-N 2 2 318.892 4.227 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000463278037 339112936 /nfs/dbraw/zinc/11/29/36/339112936.db2.gz UTBJNOOTXUUYJW-RHSMWYFYSA-N 2 2 306.881 4.083 20 0 DIADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788739 339153881 /nfs/dbraw/zinc/15/38/81/339153881.db2.gz LJNVKRVNMBIAPQ-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788739 339153882 /nfs/dbraw/zinc/15/38/82/339153882.db2.gz LJNVKRVNMBIAPQ-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788739 339153883 /nfs/dbraw/zinc/15/38/83/339153883.db2.gz LJNVKRVNMBIAPQ-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788739 339153884 /nfs/dbraw/zinc/15/38/84/339153884.db2.gz LJNVKRVNMBIAPQ-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420702 339203872 /nfs/dbraw/zinc/20/38/72/339203872.db2.gz FIAKHWWMOQFZAN-SWYDAUSRSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000466420702 339203873 /nfs/dbraw/zinc/20/38/73/339203873.db2.gz FIAKHWWMOQFZAN-SWYDAUSRSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000467550615 339242117 /nfs/dbraw/zinc/24/21/17/339242117.db2.gz LXARIXHXCHMAQJ-AEFFLSMTSA-N 2 2 305.425 4.102 20 0 DIADLP CCCCOc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000468394415 339261776 /nfs/dbraw/zinc/26/17/76/339261776.db2.gz UKKHCLBPNSYONE-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000468394415 339261777 /nfs/dbraw/zinc/26/17/77/339261777.db2.gz UKKHCLBPNSYONE-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCC1CCCCC1)CCC2 ZINC000468550472 339265978 /nfs/dbraw/zinc/26/59/78/339265978.db2.gz AJLPQLLFBLGXQM-YJBOKZPZSA-N 2 2 303.494 4.408 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000469774309 339298728 /nfs/dbraw/zinc/29/87/28/339298728.db2.gz DXGDTJMOZYOFIB-SJORKVTESA-N 2 2 305.425 4.327 20 0 DIADLP C[C@H]([NH2+]CCCc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469779882 339299380 /nfs/dbraw/zinc/29/93/80/339299380.db2.gz LQERBMCFSXGYJJ-INIZCTEOSA-N 2 2 323.415 4.295 20 0 DIADLP Clc1oc2ccccc2c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470014623 339308533 /nfs/dbraw/zinc/30/85/33/339308533.db2.gz CZDUPVHDCGHFMV-UHFFFAOYSA-N 2 2 318.848 4.050 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470017559 339308638 /nfs/dbraw/zinc/30/86/38/339308638.db2.gz JYVSACVWJIDKCZ-YOFSQIOKSA-N 2 2 324.443 4.208 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470017559 339308639 /nfs/dbraw/zinc/30/86/39/339308639.db2.gz JYVSACVWJIDKCZ-YOFSQIOKSA-N 2 2 324.443 4.208 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470971542 339333511 /nfs/dbraw/zinc/33/35/11/339333511.db2.gz ZEXIVTFLUSDFLU-DZGCQCFKSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470971542 339333512 /nfs/dbraw/zinc/33/35/12/339333512.db2.gz ZEXIVTFLUSDFLU-DZGCQCFKSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470971542 339333513 /nfs/dbraw/zinc/33/35/13/339333513.db2.gz ZEXIVTFLUSDFLU-DZGCQCFKSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470971542 339333514 /nfs/dbraw/zinc/33/35/14/339333514.db2.gz ZEXIVTFLUSDFLU-DZGCQCFKSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H](c1ccccc1)[NH+](C)C ZINC000471576253 339347833 /nfs/dbraw/zinc/34/78/33/339347833.db2.gz AMLIHOBFQAGEHS-PNHOKKKMSA-N 2 2 312.432 4.094 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1 ZINC000471597725 339348833 /nfs/dbraw/zinc/34/88/33/339348833.db2.gz GSRRMMDRFSAJOA-YZVOILCLSA-N 2 2 300.421 4.168 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000471610629 339349420 /nfs/dbraw/zinc/34/94/20/339349420.db2.gz OGQSOCNBHPLPFG-YRNRMSPPSA-N 2 2 312.457 4.037 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccc2c(c1)COC2 ZINC000471611812 339349495 /nfs/dbraw/zinc/34/94/95/339349495.db2.gz RIECTHHOZOPXLY-CKJXQJPGSA-N 2 2 324.468 4.059 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccc2c(c1)COC2 ZINC000471611815 339349503 /nfs/dbraw/zinc/34/95/03/339349503.db2.gz RIECTHHOZOPXLY-QYWGDWMGSA-N 2 2 324.468 4.059 20 0 DIADLP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000472078837 339362804 /nfs/dbraw/zinc/36/28/04/339362804.db2.gz QQLGKXWQIUDBMH-ADELNMMNSA-N 2 2 312.432 4.120 20 0 DIADLP Cc1cccc(NC2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)c1 ZINC000474272416 339408178 /nfs/dbraw/zinc/40/81/78/339408178.db2.gz SYSNERWIBAXMSM-UHFFFAOYSA-N 2 2 323.484 4.208 20 0 DIADLP Cc1ccc(CCC[NH2+]CC2(c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000474705706 339423035 /nfs/dbraw/zinc/42/30/35/339423035.db2.gz FOXZUHLKBROIGG-UHFFFAOYSA-N 2 2 314.860 4.297 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000474806668 339427181 /nfs/dbraw/zinc/42/71/81/339427181.db2.gz GNDRWBPDAPQVFD-RTWAWAEBSA-N 2 2 308.469 4.324 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1)CCC2 ZINC000474811368 339427625 /nfs/dbraw/zinc/42/76/25/339427625.db2.gz RABXYKZKAKRZGT-OKZBNKHCSA-N 2 2 303.494 4.263 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@H](c4cccc(F)c4)C3)c[nH+]c12 ZINC000475570446 339455967 /nfs/dbraw/zinc/45/59/67/339455967.db2.gz JDWDENLBGFAHQC-WMZOPIPTSA-N 2 2 323.415 4.208 20 0 DIADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000480802604 339587775 /nfs/dbraw/zinc/58/77/75/339587775.db2.gz HESGXBQZMHXRKV-UXHICEINSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cccc2c1CC[C@H]2[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000481398866 339603378 /nfs/dbraw/zinc/60/33/78/339603378.db2.gz FVGWSEMCWZYSRA-QGZVFWFLSA-N 2 2 305.425 4.081 20 0 DIADLP c1ccc(C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C2CC2)cc1 ZINC000481410790 339603686 /nfs/dbraw/zinc/60/36/86/339603686.db2.gz YFMYUUGUTCNIMT-FQEVSTJZSA-N 2 2 319.452 4.106 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCc1[nH]c3ccccc3[nH+]1)CC2 ZINC000481416700 339603758 /nfs/dbraw/zinc/60/37/58/339603758.db2.gz IIAXWRSXOIEQBM-QGZVFWFLSA-N 2 2 305.425 4.081 20 0 DIADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1Cl ZINC000481424376 339603959 /nfs/dbraw/zinc/60/39/59/339603959.db2.gz XVVPAIRDZRSAIO-ZDUSSCGKSA-N 2 2 313.832 4.500 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000481960784 339618075 /nfs/dbraw/zinc/61/80/75/339618075.db2.gz MRTOHCDUCQUMAW-BEFAXECRSA-N 2 2 300.421 4.088 20 0 DIADLP c1cn2c(cccc2C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000486905776 339737710 /nfs/dbraw/zinc/73/77/10/339737710.db2.gz NXHKFSHSYAWRRV-QZTJIDSGSA-N 2 2 305.425 4.150 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H](C)C2 ZINC000490167448 339827650 /nfs/dbraw/zinc/82/76/50/339827650.db2.gz JMWAXYXQMFELGZ-KKSFZXQISA-N 2 2 317.436 4.204 20 0 DIADLP c1ccc(NCCC[NH2+]C2c3ccccc3-c3ccccc32)[nH+]c1 ZINC000498925954 340026141 /nfs/dbraw/zinc/02/61/41/340026141.db2.gz BFPYXADUHYNZIW-UHFFFAOYSA-N 2 2 315.420 4.243 20 0 DIADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318916 340099534 /nfs/dbraw/zinc/09/95/34/340099534.db2.gz QJDJBGJWFYKRNV-HKUYNNGSSA-N 2 2 323.484 4.203 20 0 DIADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318916 340099535 /nfs/dbraw/zinc/09/95/35/340099535.db2.gz QJDJBGJWFYKRNV-HKUYNNGSSA-N 2 2 323.484 4.203 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063490 340120050 /nfs/dbraw/zinc/12/00/50/340120050.db2.gz MVUHJHPGPQHIGX-WBMJQRKESA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063490 340120051 /nfs/dbraw/zinc/12/00/51/340120051.db2.gz MVUHJHPGPQHIGX-WBMJQRKESA-N 2 2 324.255 4.273 20 0 DIADLP CCc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503403206 340127399 /nfs/dbraw/zinc/12/73/99/340127399.db2.gz CTEDIGCFYFOLQN-IBGZPJMESA-N 2 2 323.484 4.161 20 0 DIADLP CCc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503403206 340127400 /nfs/dbraw/zinc/12/74/00/340127400.db2.gz CTEDIGCFYFOLQN-IBGZPJMESA-N 2 2 323.484 4.161 20 0 DIADLP CCc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503403208 340127431 /nfs/dbraw/zinc/12/74/31/340127431.db2.gz CTEDIGCFYFOLQN-LJQANCHMSA-N 2 2 323.484 4.161 20 0 DIADLP CCc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503403208 340127432 /nfs/dbraw/zinc/12/74/32/340127432.db2.gz CTEDIGCFYFOLQN-LJQANCHMSA-N 2 2 323.484 4.161 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c[nH+]1 ZINC000504589326 340149785 /nfs/dbraw/zinc/14/97/85/340149785.db2.gz KBAJJTVIFRMWCW-LJQANCHMSA-N 2 2 300.421 4.449 20 0 DIADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000504899507 340155348 /nfs/dbraw/zinc/15/53/48/340155348.db2.gz IBLKJADBPPQWAD-CRAIPNDOSA-N 2 2 305.425 4.023 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474922 340195272 /nfs/dbraw/zinc/19/52/72/340195272.db2.gz QSUXJSUFTQGDFU-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474922 340195273 /nfs/dbraw/zinc/19/52/73/340195273.db2.gz QSUXJSUFTQGDFU-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000506474922 340195274 /nfs/dbraw/zinc/19/52/74/340195274.db2.gz QSUXJSUFTQGDFU-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000506474922 340195275 /nfs/dbraw/zinc/19/52/75/340195275.db2.gz QSUXJSUFTQGDFU-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP CC(C)(C)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)s1 ZINC000506494432 340195641 /nfs/dbraw/zinc/19/56/41/340195641.db2.gz DJKFNGNICJBZPI-UHFFFAOYSA-N 2 2 306.519 4.106 20 0 DIADLP CCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507463622 340220913 /nfs/dbraw/zinc/22/09/13/340220913.db2.gz UNQASALMIXLGDO-GOEBONIOSA-N 2 2 320.443 4.352 20 0 DIADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507489180 340222521 /nfs/dbraw/zinc/22/25/21/340222521.db2.gz WNODKPKPLYAZQR-CVEARBPZSA-N 2 2 320.443 4.208 20 0 DIADLP Clc1ccccc1C1=CC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000507692023 340228311 /nfs/dbraw/zinc/22/83/11/340228311.db2.gz SRHUPJKFICFBCS-UHFFFAOYSA-N 2 2 323.827 4.277 20 0 DIADLP Clc1ccccc1C1=CC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000507692023 340228312 /nfs/dbraw/zinc/22/83/12/340228312.db2.gz SRHUPJKFICFBCS-UHFFFAOYSA-N 2 2 323.827 4.277 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000507894726 340235313 /nfs/dbraw/zinc/23/53/13/340235313.db2.gz MEEUOEOTCJMOOT-CPUCHLNUSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000507894726 340235314 /nfs/dbraw/zinc/23/53/14/340235314.db2.gz MEEUOEOTCJMOOT-CPUCHLNUSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000507897720 340235357 /nfs/dbraw/zinc/23/53/57/340235357.db2.gz VIVRAYHKXGOXSF-MLGOLLRUSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000507897720 340235358 /nfs/dbraw/zinc/23/53/58/340235358.db2.gz VIVRAYHKXGOXSF-MLGOLLRUSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507894724 340235378 /nfs/dbraw/zinc/23/53/78/340235378.db2.gz MEEUOEOTCJMOOT-CKEIUWERSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507894724 340235379 /nfs/dbraw/zinc/23/53/79/340235379.db2.gz MEEUOEOTCJMOOT-CKEIUWERSA-N 2 2 303.837 4.181 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000510080498 340287763 /nfs/dbraw/zinc/28/77/63/340287763.db2.gz WKKYKBGXCTTWGK-UHFFFAOYSA-N 2 2 319.399 4.238 20 0 DIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000303016195 340295507 /nfs/dbraw/zinc/29/55/07/340295507.db2.gz LJGPHSRIYSTXFS-QGZVFWFLSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000303016195 340295508 /nfs/dbraw/zinc/29/55/08/340295508.db2.gz LJGPHSRIYSTXFS-QGZVFWFLSA-N 2 2 320.908 4.284 20 0 DIADLP Cc1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000510728934 340308335 /nfs/dbraw/zinc/30/83/35/340308335.db2.gz CDEFGSLOLSCUAY-FQEVSTJZSA-N 2 2 323.415 4.100 20 0 DIADLP Cc1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000510728935 340308375 /nfs/dbraw/zinc/30/83/75/340308375.db2.gz CDEFGSLOLSCUAY-HXUWFJFHSA-N 2 2 323.415 4.100 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000510926779 340314951 /nfs/dbraw/zinc/31/49/51/340314951.db2.gz FBNITIMBPOTUBK-HDMKZQKVSA-N 2 2 300.471 4.234 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000510926779 340314952 /nfs/dbraw/zinc/31/49/52/340314952.db2.gz FBNITIMBPOTUBK-HDMKZQKVSA-N 2 2 300.471 4.234 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@@H+]1C1CC1 ZINC000511624769 340332778 /nfs/dbraw/zinc/33/27/78/340332778.db2.gz CQVLECQKKXARDL-YLJYHZDGSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@H+]1C1CC1 ZINC000511624769 340332779 /nfs/dbraw/zinc/33/27/79/340332779.db2.gz CQVLECQKKXARDL-YLJYHZDGSA-N 2 2 320.480 4.033 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC1CCC(C(C)C)CC1)CCC2 ZINC000512040066 340346464 /nfs/dbraw/zinc/34/64/64/340346464.db2.gz ZIWSCPFRUANSOX-ABHNRTSZSA-N 2 2 303.494 4.121 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181162 340351199 /nfs/dbraw/zinc/35/11/99/340351199.db2.gz OMECPUFYPCYLOJ-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181162 340351200 /nfs/dbraw/zinc/35/12/00/340351200.db2.gz OMECPUFYPCYLOJ-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181162 340351201 /nfs/dbraw/zinc/35/12/01/340351201.db2.gz OMECPUFYPCYLOJ-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181162 340351202 /nfs/dbraw/zinc/35/12/02/340351202.db2.gz OMECPUFYPCYLOJ-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512537610 340366004 /nfs/dbraw/zinc/36/60/04/340366004.db2.gz VNKXPXWCHHHPEU-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512537610 340366005 /nfs/dbraw/zinc/36/60/05/340366005.db2.gz VNKXPXWCHHHPEU-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP C[NH+](Cc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512537610 340366006 /nfs/dbraw/zinc/36/60/06/340366006.db2.gz VNKXPXWCHHHPEU-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP C[NH+](Cc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512537610 340366007 /nfs/dbraw/zinc/36/60/07/340366007.db2.gz VNKXPXWCHHHPEU-YIONKMFJSA-N 2 2 313.272 4.050 20 0 DIADLP CCC[C@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccccc1 ZINC000513047453 340390740 /nfs/dbraw/zinc/39/07/40/340390740.db2.gz RYVWXUYFMXQKHZ-LJQANCHMSA-N 2 2 320.440 4.322 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)c[nH+]c12 ZINC000513050167 340390804 /nfs/dbraw/zinc/39/08/04/340390804.db2.gz DPKWCVUHVYEBHK-RBUKOAKNSA-N 2 2 305.425 4.069 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)n2c1 ZINC000513083750 340392647 /nfs/dbraw/zinc/39/26/47/340392647.db2.gz QEMHWAYDROAADO-RBUKOAKNSA-N 2 2 305.425 4.069 20 0 DIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000517065669 340462924 /nfs/dbraw/zinc/46/29/24/340462924.db2.gz ILFFICHICPZEHO-INIZCTEOSA-N 2 2 323.387 4.006 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cncc(C)c2)[NH+]2CCCC2)cc1 ZINC000184330286 340492124 /nfs/dbraw/zinc/49/21/24/340492124.db2.gz ZSYCCAJYBDZZAY-RXVVDRJESA-N 2 2 323.484 4.186 20 0 DIADLP Fc1cc(C[NH2+]Cc2cc(Cl)cs2)ccc1-n1cc[nH+]c1 ZINC000193043945 340571860 /nfs/dbraw/zinc/57/18/60/340571860.db2.gz KBDYSCPRQPUFRF-UHFFFAOYSA-N 2 2 321.808 4.016 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230407474 340619904 /nfs/dbraw/zinc/61/99/04/340619904.db2.gz WFXSAHVKQKYXCJ-NSHDSACASA-N 2 2 319.861 4.410 20 0 DIADLP Cc1cc(C)c(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1C ZINC000302919131 340631475 /nfs/dbraw/zinc/63/14/75/340631475.db2.gz XKTAVTLFNVUXLB-UHFFFAOYSA-N 2 2 307.441 4.211 20 0 DIADLP c1cc2c(cccc2C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)[nH]1 ZINC000236666175 340663557 /nfs/dbraw/zinc/66/35/57/340663557.db2.gz ZYMHBJUZVDYTJS-OAQYLSRUSA-N 2 2 319.452 4.095 20 0 DIADLP CC(C)CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000236676718 340663782 /nfs/dbraw/zinc/66/37/82/340663782.db2.gz YXWVYTNDSYGKCF-UHFFFAOYSA-N 2 2 315.505 4.247 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)C1CC(F)(F)C1)[NH+](C)C ZINC000529559579 340763226 /nfs/dbraw/zinc/76/32/26/340763226.db2.gz XTNHDXYRJIWWNK-ZQIUZPCESA-N 2 2 310.432 4.010 20 0 DIADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2c(s1)CCCC2 ZINC000538985958 340864524 /nfs/dbraw/zinc/86/45/24/340864524.db2.gz OEQIPYQEYTYSFK-BBRMVZONSA-N 2 2 323.550 4.039 20 0 DIADLP C[C@@H]1CC[N@H+](CCCc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000542208779 341000230 /nfs/dbraw/zinc/00/02/30/341000230.db2.gz BLFRFDMFYFJEGO-QAPCUYQASA-N 2 2 317.864 4.052 20 0 DIADLP C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000542208779 341000231 /nfs/dbraw/zinc/00/02/31/341000231.db2.gz BLFRFDMFYFJEGO-QAPCUYQASA-N 2 2 317.864 4.052 20 0 DIADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccccc1 ZINC000542467122 341008541 /nfs/dbraw/zinc/00/85/41/341008541.db2.gz WODHPMUUUUZWFO-KDOFPFPSSA-N 2 2 309.438 4.127 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccccc1 ZINC000542467122 341008542 /nfs/dbraw/zinc/00/85/42/341008542.db2.gz WODHPMUUUUZWFO-KDOFPFPSSA-N 2 2 309.438 4.127 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCCCCC1 ZINC000542481375 341009294 /nfs/dbraw/zinc/00/92/94/341009294.db2.gz VCZMOYVHGKRKOB-QGZVFWFLSA-N 2 2 311.473 4.380 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644293 341036028 /nfs/dbraw/zinc/03/60/28/341036028.db2.gz QEKSICHQBSPQGF-SDDRHHMPSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644293 341036029 /nfs/dbraw/zinc/03/60/29/341036029.db2.gz QEKSICHQBSPQGF-SDDRHHMPSA-N 2 2 301.261 4.127 20 0 DIADLP CC[C@@H](C)[C@H](C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395548 341042099 /nfs/dbraw/zinc/04/20/99/341042099.db2.gz ITAZFWBOXHMHTQ-KGLIPLIRSA-N 2 2 303.475 4.333 20 0 DIADLP CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395548 341042100 /nfs/dbraw/zinc/04/21/00/341042100.db2.gz ITAZFWBOXHMHTQ-KGLIPLIRSA-N 2 2 303.475 4.333 20 0 DIADLP CCCOc1cccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c12 ZINC000543719384 341055045 /nfs/dbraw/zinc/05/50/45/341055045.db2.gz OXEGCMPIDWNKDO-UHFFFAOYSA-N 2 2 324.428 4.112 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072526 341069242 /nfs/dbraw/zinc/06/92/42/341069242.db2.gz WNSHGTRZAXAJMW-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072526 341069243 /nfs/dbraw/zinc/06/92/43/341069243.db2.gz WNSHGTRZAXAJMW-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072526 341069244 /nfs/dbraw/zinc/06/92/44/341069244.db2.gz WNSHGTRZAXAJMW-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072526 341069245 /nfs/dbraw/zinc/06/92/45/341069245.db2.gz WNSHGTRZAXAJMW-ZVDOUQERSA-N 2 2 314.517 4.265 20 0 DIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C)cc1 ZINC000544347160 341077235 /nfs/dbraw/zinc/07/72/35/341077235.db2.gz JXUQICGLKOHFLD-UHFFFAOYSA-N 2 2 311.454 4.264 20 0 DIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C)cc1 ZINC000544347160 341077236 /nfs/dbraw/zinc/07/72/36/341077236.db2.gz JXUQICGLKOHFLD-UHFFFAOYSA-N 2 2 311.454 4.264 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(C)(C)C)cc1 ZINC000545201517 341113423 /nfs/dbraw/zinc/11/34/23/341113423.db2.gz SYXKUDBFSZGNBS-MRXNPFEDSA-N 2 2 315.461 4.191 20 0 DIADLP Cc1ccccc1C[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000545242420 341116827 /nfs/dbraw/zinc/11/68/27/341116827.db2.gz JYZRPNIROQDGKZ-QGZVFWFLSA-N 2 2 321.468 4.035 20 0 DIADLP Cc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)s1 ZINC000546021914 341151730 /nfs/dbraw/zinc/15/17/30/341151730.db2.gz XBTPRMNCZRKKFT-KSSFIOAISA-N 2 2 302.487 4.146 20 0 DIADLP C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@H](c1ccccc1)[NH+](C)C ZINC000547435806 341213518 /nfs/dbraw/zinc/21/35/18/341213518.db2.gz ADEMDLIKSPYIMH-IIBYNOLFSA-N 2 2 319.452 4.016 20 0 DIADLP CC[C@H](c1cccc(OC)c1)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000564324801 341222188 /nfs/dbraw/zinc/22/21/88/341222188.db2.gz IELGFBVEIPRUKD-HXUWFJFHSA-N 2 2 312.457 4.414 20 0 DIADLP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000564324801 341222189 /nfs/dbraw/zinc/22/21/89/341222189.db2.gz IELGFBVEIPRUKD-HXUWFJFHSA-N 2 2 312.457 4.414 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000549041060 341284497 /nfs/dbraw/zinc/28/44/97/341284497.db2.gz YZZJIEFYUXLQJO-IPELMVKDSA-N 2 2 318.892 4.083 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143768 341287188 /nfs/dbraw/zinc/28/71/88/341287188.db2.gz OXITXZNMPBEWAQ-MQGJPIDWSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143768 341287189 /nfs/dbraw/zinc/28/71/89/341287189.db2.gz OXITXZNMPBEWAQ-MQGJPIDWSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1n1cc[nH+]c1 ZINC000245682017 341309178 /nfs/dbraw/zinc/30/91/78/341309178.db2.gz PGWFKDUMSHTVEN-JEBQAFNWSA-N 2 2 315.848 4.107 20 0 DIADLP C[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1n1cc[nH+]c1 ZINC000245682017 341309179 /nfs/dbraw/zinc/30/91/79/341309179.db2.gz PGWFKDUMSHTVEN-JEBQAFNWSA-N 2 2 315.848 4.107 20 0 DIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCC23CCCC3)[nH+]1 ZINC000550614028 341319437 /nfs/dbraw/zinc/31/94/37/341319437.db2.gz NUUKEIGSENCIFM-LJQANCHMSA-N 2 2 323.484 4.176 20 0 DIADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)c2ccccc21)[N@H+](C)C1CC1 ZINC000551030710 341329739 /nfs/dbraw/zinc/32/97/39/341329739.db2.gz ZSVMKIIPDRELRB-ZIAGYGMSSA-N 2 2 300.421 4.112 20 0 DIADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)c2ccccc21)[N@@H+](C)C1CC1 ZINC000551030710 341329740 /nfs/dbraw/zinc/32/97/40/341329740.db2.gz ZSVMKIIPDRELRB-ZIAGYGMSSA-N 2 2 300.421 4.112 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CC=C(C)CC2)c(C)c1 ZINC000551316516 341338355 /nfs/dbraw/zinc/33/83/55/341338355.db2.gz IGPSKKGNPMKOSK-QUCCMNQESA-N 2 2 309.457 4.330 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)CCCC2 ZINC000551564330 341345579 /nfs/dbraw/zinc/34/55/79/341345579.db2.gz NKCPZHIUJUEEQQ-RBUKOAKNSA-N 2 2 309.457 4.035 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC[C@@H](c3ccccc3)C1)CCCC2 ZINC000551620470 341347267 /nfs/dbraw/zinc/34/72/67/341347267.db2.gz XRFMUNVGPGMQET-RTBURBONSA-N 2 2 323.484 4.426 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC[C@H](c3ccccc3)C1)CCCC2 ZINC000551620468 341347319 /nfs/dbraw/zinc/34/73/19/341347319.db2.gz XRFMUNVGPGMQET-OALUTQOASA-N 2 2 323.484 4.426 20 0 DIADLP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000551794559 341352029 /nfs/dbraw/zinc/35/20/29/341352029.db2.gz YJLZKHKJKFDFDP-KRWDZBQOSA-N 2 2 306.881 4.083 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2ccccc2o1 ZINC000551813502 341352678 /nfs/dbraw/zinc/35/26/78/341352678.db2.gz UVUJIPKWECRZFT-HXUWFJFHSA-N 2 2 323.440 4.453 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1C(C)(C)C ZINC000551817038 341353039 /nfs/dbraw/zinc/35/30/39/341353039.db2.gz HUARULHRRBCTJE-HNNXBMFYSA-N 2 2 311.473 4.368 20 0 DIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000247192608 341362127 /nfs/dbraw/zinc/36/21/27/341362127.db2.gz VUHZEWGTWQHDKB-NXEZZACHSA-N 2 2 307.290 4.047 20 0 DIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000247192615 341362095 /nfs/dbraw/zinc/36/20/95/341362095.db2.gz VUHZEWGTWQHDKB-ZJUUUORDSA-N 2 2 307.290 4.047 20 0 DIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000247192615 341362096 /nfs/dbraw/zinc/36/20/96/341362096.db2.gz VUHZEWGTWQHDKB-ZJUUUORDSA-N 2 2 307.290 4.047 20 0 DIADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000247192608 341362128 /nfs/dbraw/zinc/36/21/28/341362128.db2.gz VUHZEWGTWQHDKB-NXEZZACHSA-N 2 2 307.290 4.047 20 0 DIADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552037864 341363877 /nfs/dbraw/zinc/36/38/77/341363877.db2.gz VVXTYXACEFYMBH-OALUTQOASA-N 2 2 320.908 4.329 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248033591 341372439 /nfs/dbraw/zinc/37/24/39/341372439.db2.gz RACQIHAENRGSAX-WSTZPKSXSA-N 2 2 317.521 4.098 20 0 DIADLP CCCC[C@H](CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248033591 341372440 /nfs/dbraw/zinc/37/24/40/341372440.db2.gz RACQIHAENRGSAX-WSTZPKSXSA-N 2 2 317.521 4.098 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390163 341376378 /nfs/dbraw/zinc/37/63/78/341376378.db2.gz BGRWXUCRIHQDHS-ILXRZTDVSA-N 2 2 322.443 4.268 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390163 341376379 /nfs/dbraw/zinc/37/63/79/341376379.db2.gz BGRWXUCRIHQDHS-ILXRZTDVSA-N 2 2 322.443 4.268 20 0 DIADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000552369938 341389639 /nfs/dbraw/zinc/38/96/39/341389639.db2.gz LRPFLFFSMVJQBI-SQGPQFPESA-N 2 2 311.473 4.236 20 0 DIADLP Clc1cccc2c(NC3CC[NH+](CC4CC4)CC3)cc[nH+]c12 ZINC000552950960 341410226 /nfs/dbraw/zinc/41/02/26/341410226.db2.gz OCSCJOGTUWESNZ-UHFFFAOYSA-N 2 2 315.848 4.175 20 0 DIADLP Fc1cccc(C=C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000555674234 341488449 /nfs/dbraw/zinc/48/84/49/341488449.db2.gz MVKTXMGDFUMODU-UHFFFAOYSA-N 2 2 316.464 4.181 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000573645298 341734417 /nfs/dbraw/zinc/73/44/17/341734417.db2.gz MVUZSXFTWPYRJH-UHFFFAOYSA-N 2 2 312.432 4.341 20 0 DIADLP Fc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000576487606 341849061 /nfs/dbraw/zinc/84/90/61/341849061.db2.gz SFCOZOOCKFIWLT-UAPYVXQJSA-N 2 2 321.399 4.047 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)n1C ZINC000577769615 341936111 /nfs/dbraw/zinc/93/61/11/341936111.db2.gz QZPGYTRKOKJQEF-AWEZNQCLSA-N 2 2 323.415 4.385 20 0 DIADLP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000161799586 522484903 /nfs/dbraw/zinc/48/49/03/522484903.db2.gz NTCHUXDGVCPLKM-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cncc(F)c1 ZINC000167871153 525310387 /nfs/dbraw/zinc/31/03/87/525310387.db2.gz FAOUTNGYNGQSSK-GJZGRUSLSA-N 2 2 315.436 4.001 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000181417632 525402475 /nfs/dbraw/zinc/40/24/75/525402475.db2.gz UMFMACLZQNPORK-CQSZACIVSA-N 2 2 308.425 4.331 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1F ZINC000120867955 525524011 /nfs/dbraw/zinc/52/40/11/525524011.db2.gz RLXQOUYKHRHMMD-GFCCVEGCSA-N 2 2 322.374 4.016 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC(c3ccccc3)CC1)CCC2 ZINC000366207297 525939060 /nfs/dbraw/zinc/93/90/60/525939060.db2.gz AIJBQDROEOUZJY-GPJFCIFZSA-N 2 2 323.484 4.385 20 0 DIADLP FC(F)Sc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266937833 527697755 /nfs/dbraw/zinc/69/77/55/527697755.db2.gz QDYXSDMYSOIUPO-CYBMUJFWSA-N 2 2 323.412 4.104 20 0 DIADLP FC(F)Sc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266937833 527697756 /nfs/dbraw/zinc/69/77/56/527697756.db2.gz QDYXSDMYSOIUPO-CYBMUJFWSA-N 2 2 323.412 4.104 20 0 DIADLP C[N@H+](Cc1sc2ccccc2c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746967 536487447 /nfs/dbraw/zinc/48/74/47/536487447.db2.gz VKMNLYYZCUIIFX-FUNVUKJBSA-N 2 2 320.889 4.270 20 0 DIADLP C[N@@H+](Cc1sc2ccccc2c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746967 536487448 /nfs/dbraw/zinc/48/74/48/536487448.db2.gz VKMNLYYZCUIIFX-FUNVUKJBSA-N 2 2 320.889 4.270 20 0 DIADLP CC(C)[N@H+](CCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167217703 1036282458 /nfs/dbraw/zinc/28/24/58/1036282458.db2.gz IAYYEUXMXOURJF-UHFFFAOYSA-N 2 2 319.452 4.325 20 0 DIADLP CC(C)[N@@H+](CCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001167217703 1036282478 /nfs/dbraw/zinc/28/24/78/1036282478.db2.gz IAYYEUXMXOURJF-UHFFFAOYSA-N 2 2 319.452 4.325 20 0 DIADLP Clc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000237879350 1036420513 /nfs/dbraw/zinc/42/05/13/1036420513.db2.gz OURKGXMUTJFXQV-UHFFFAOYSA-N 2 2 306.881 4.227 20 0 DIADLP c1cn(-c2ccc(C[N@@H+](CC3CC3)C3CCCCC3)cc2)c[nH+]1 ZINC001167313196 1036649837 /nfs/dbraw/zinc/64/98/37/1036649837.db2.gz FSQHBJCFJACOKI-UHFFFAOYSA-N 2 2 309.457 4.417 20 0 DIADLP c1cn(-c2ccc(C[N@H+](CC3CC3)C3CCCCC3)cc2)c[nH+]1 ZINC001167313196 1036649850 /nfs/dbraw/zinc/64/98/50/1036649850.db2.gz FSQHBJCFJACOKI-UHFFFAOYSA-N 2 2 309.457 4.417 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000683727145 1036781237 /nfs/dbraw/zinc/78/12/37/1036781237.db2.gz QDQZNQDWASPFBX-UHFFFAOYSA-N 2 2 322.452 4.311 20 0 DIADLP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)s1 ZINC000312755514 1037014604 /nfs/dbraw/zinc/01/46/04/1037014604.db2.gz BXMWQGNUQZWSIL-IJLUTSLNSA-N 2 2 319.301 4.065 20 0 DIADLP C/C(=C\c1ccccc1)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000580498771 1037167831 /nfs/dbraw/zinc/16/78/31/1037167831.db2.gz AJPMNIRMKDWSQF-OBGWFSINSA-N 2 2 324.468 4.279 20 0 DIADLP C/C(=C\c1ccccc1)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000580498771 1037167843 /nfs/dbraw/zinc/16/78/43/1037167843.db2.gz AJPMNIRMKDWSQF-OBGWFSINSA-N 2 2 324.468 4.279 20 0 DIADLP Clc1csc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349343481 1037273310 /nfs/dbraw/zinc/27/33/10/1037273310.db2.gz GODZFEJDIIWDKR-UHFFFAOYSA-N 2 2 323.893 4.290 20 0 DIADLP CC[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000580978836 1037394071 /nfs/dbraw/zinc/39/40/71/1037394071.db2.gz KFFVQNSYFMMJDK-SFHVURJKSA-N 2 2 319.452 4.215 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100162 1037435866 /nfs/dbraw/zinc/43/58/66/1037435866.db2.gz QYJQUUZYWSFIDY-SJORKVTESA-N 2 2 304.478 4.002 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100162 1037435869 /nfs/dbraw/zinc/43/58/69/1037435869.db2.gz QYJQUUZYWSFIDY-SJORKVTESA-N 2 2 304.478 4.002 20 0 DIADLP Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001167452717 1037505845 /nfs/dbraw/zinc/50/58/45/1037505845.db2.gz FMDPUNYKZAAEHP-GOSISDBHSA-N 2 2 319.452 4.244 20 0 DIADLP Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001167452717 1037505852 /nfs/dbraw/zinc/50/58/52/1037505852.db2.gz FMDPUNYKZAAEHP-GOSISDBHSA-N 2 2 319.452 4.244 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694820 1038272399 /nfs/dbraw/zinc/27/23/99/1038272399.db2.gz SUUHKUVKAZGMSM-YLJYHZDGSA-N 2 2 321.468 4.086 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@H+]([C@@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694820 1038272403 /nfs/dbraw/zinc/27/24/03/1038272403.db2.gz SUUHKUVKAZGMSM-YLJYHZDGSA-N 2 2 321.468 4.086 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)oc1C ZINC000669700309 1038288743 /nfs/dbraw/zinc/28/87/43/1038288743.db2.gz PODVFGVDZMJWCA-YJBOKZPZSA-N 2 2 323.440 4.265 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2sccc21 ZINC000061327981 1038313208 /nfs/dbraw/zinc/31/32/08/1038313208.db2.gz SFEOETZDFMPIMI-ZBFHGGJFSA-N 2 2 303.475 4.027 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000604414873 1038411868 /nfs/dbraw/zinc/41/18/68/1038411868.db2.gz JIVYNHJAEDJZPK-UHFFFAOYSA-N 2 2 322.399 4.045 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000604414873 1038411875 /nfs/dbraw/zinc/41/18/75/1038411875.db2.gz JIVYNHJAEDJZPK-UHFFFAOYSA-N 2 2 322.399 4.045 20 0 DIADLP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151310530 1038436280 /nfs/dbraw/zinc/43/62/80/1038436280.db2.gz FMAJDNGTWGEQPM-NRFANRHFSA-N 2 2 317.436 4.017 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151343712 1038437587 /nfs/dbraw/zinc/43/75/87/1038437587.db2.gz ZDLJXRYFODCAGY-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP C[C@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)Cn1cc[nH+]c1 ZINC000657334332 1038576018 /nfs/dbraw/zinc/57/60/18/1038576018.db2.gz WBUDNDLVZDBHQB-OAHLLOKOSA-N 2 2 311.454 4.038 20 0 DIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccccc2)CCCC1)c1ccccc1 ZINC000606914776 1038640099 /nfs/dbraw/zinc/64/00/99/1038640099.db2.gz WSCIJLSZALQVDI-SFHVURJKSA-N 2 2 308.469 4.440 20 0 DIADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000158411159 1038686196 /nfs/dbraw/zinc/68/61/96/1038686196.db2.gz RTXPUMATIBANCS-SFHVURJKSA-N 2 2 321.424 4.269 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000158422549 1038687234 /nfs/dbraw/zinc/68/72/34/1038687234.db2.gz FHSHDNJWFAYOMB-AWEZNQCLSA-N 2 2 311.454 4.347 20 0 DIADLP Cc1[nH]c(CNc2ccc([N@H+]3CCCC[C@@H]3C)cc2C)[nH+]c1C ZINC000563440819 1038763448 /nfs/dbraw/zinc/76/34/48/1038763448.db2.gz SLXPDUBIJOJNRA-AWEZNQCLSA-N 2 2 312.461 4.326 20 0 DIADLP Cc1[nH]c(CNc2ccc([N@@H+]3CCCC[C@@H]3C)cc2C)[nH+]c1C ZINC000563440819 1038763453 /nfs/dbraw/zinc/76/34/53/1038763453.db2.gz SLXPDUBIJOJNRA-AWEZNQCLSA-N 2 2 312.461 4.326 20 0 DIADLP Cc1cc(C)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000075758053 1038823592 /nfs/dbraw/zinc/82/35/92/1038823592.db2.gz ZDLWBKWGLQXTKD-UHFFFAOYSA-N 2 2 319.452 4.146 20 0 DIADLP Cc1[nH]c(CNc2cc(O[C@H](C)c3ccccc3)cc[nH+]2)[nH+]c1C ZINC000657618444 1038917444 /nfs/dbraw/zinc/91/74/44/1038917444.db2.gz UEVUBUYYIQDFLI-OAHLLOKOSA-N 2 2 322.412 4.174 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153653134 1039073651 /nfs/dbraw/zinc/07/36/51/1039073651.db2.gz FLFGIHSFKOBYRE-ZDUSSCGKSA-N 2 2 315.417 4.232 20 0 DIADLP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000535471075 1039222277 /nfs/dbraw/zinc/22/22/77/1039222277.db2.gz ZPFOCMRNXQTFAA-IBGZPJMESA-N 2 2 306.453 4.154 20 0 DIADLP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000535471075 1039222292 /nfs/dbraw/zinc/22/22/92/1039222292.db2.gz ZPFOCMRNXQTFAA-IBGZPJMESA-N 2 2 306.453 4.154 20 0 DIADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cc2ccccc2o1 ZINC000539413608 1039255435 /nfs/dbraw/zinc/25/54/35/1039255435.db2.gz PAWZUYNAMUSUMD-INIZCTEOSA-N 2 2 311.429 4.493 20 0 DIADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cc2ccccc2o1 ZINC000539413608 1039255441 /nfs/dbraw/zinc/25/54/41/1039255441.db2.gz PAWZUYNAMUSUMD-INIZCTEOSA-N 2 2 311.429 4.493 20 0 DIADLP CCSc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000535989366 1039267174 /nfs/dbraw/zinc/26/71/74/1039267174.db2.gz VKCPPKWHBBEZTC-OAHLLOKOSA-N 2 2 315.486 4.346 20 0 DIADLP c1cn(C2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)c[nH+]1 ZINC000092648831 1039291833 /nfs/dbraw/zinc/29/18/33/1039291833.db2.gz DOWHIYJNZNPPPM-UHFFFAOYSA-N 2 2 317.436 4.387 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539851779 1039369635 /nfs/dbraw/zinc/36/96/35/1039369635.db2.gz APMZMQSPQRCIRT-CQSZACIVSA-N 2 2 320.864 4.250 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539851779 1039369643 /nfs/dbraw/zinc/36/96/43/1039369643.db2.gz APMZMQSPQRCIRT-CQSZACIVSA-N 2 2 320.864 4.250 20 0 DIADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000540301306 1039468832 /nfs/dbraw/zinc/46/88/32/1039468832.db2.gz VELMVUHZIMQOMK-OAQYLSRUSA-N 2 2 317.436 4.422 20 0 DIADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000089697273 1039780788 /nfs/dbraw/zinc/78/07/88/1039780788.db2.gz ODASMTZJBQLJFX-INIZCTEOSA-N 2 2 324.255 4.247 20 0 DIADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542131517 1039799327 /nfs/dbraw/zinc/79/93/27/1039799327.db2.gz HFLPUJURRMAHKJ-INIZCTEOSA-N 2 2 315.436 4.276 20 0 DIADLP c1cn(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCCC4)c2)c[nH+]1 ZINC000491370869 1039839571 /nfs/dbraw/zinc/83/95/71/1039839571.db2.gz BWURBZIFRAUDOU-UHFFFAOYSA-N 2 2 317.436 4.041 20 0 DIADLP Fc1cc(C2CC2)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000491578310 1039858800 /nfs/dbraw/zinc/85/88/00/1039858800.db2.gz FPFMGUKSVYGXOB-UHFFFAOYSA-N 2 2 321.399 4.179 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(Cl)ccc2cccnc21 ZINC000685462683 1040061278 /nfs/dbraw/zinc/06/12/78/1040061278.db2.gz DUFSZUDKOXEKAB-UHFFFAOYSA-N 2 2 319.880 4.052 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(Cl)ccc2cccnc21 ZINC000685462683 1040061293 /nfs/dbraw/zinc/06/12/93/1040061293.db2.gz DUFSZUDKOXEKAB-UHFFFAOYSA-N 2 2 319.880 4.052 20 0 DIADLP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000685468001 1040066415 /nfs/dbraw/zinc/06/64/15/1040066415.db2.gz YTUOTXIWBOEGJS-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000685468001 1040066435 /nfs/dbraw/zinc/06/64/35/1040066435.db2.gz YTUOTXIWBOEGJS-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000177248554 1040114403 /nfs/dbraw/zinc/11/44/03/1040114403.db2.gz HSOJNYBAQJKRBN-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000315948476 1040123948 /nfs/dbraw/zinc/12/39/48/1040123948.db2.gz YCZGKJHXXJQLTQ-QHGAOEGBSA-N 2 2 300.490 4.177 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)C2 ZINC000685662347 1040203101 /nfs/dbraw/zinc/20/31/01/1040203101.db2.gz WIXZPYFLWDCGNS-ICSRJNTNSA-N 2 2 323.484 4.048 20 0 DIADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc2ccccc21 ZINC000685662142 1040204423 /nfs/dbraw/zinc/20/44/23/1040204423.db2.gz KJZCXGIBVXVSQZ-CRAIPNDOSA-N 2 2 305.425 4.161 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151660537 1040566905 /nfs/dbraw/zinc/56/69/05/1040566905.db2.gz VCBAXMUZGKGLPV-VLIAUNLRSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464491 1040934472 /nfs/dbraw/zinc/93/44/72/1040934472.db2.gz OVNAXGKQCFUCLO-YLJYHZDGSA-N 2 2 323.484 4.033 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464491 1040934495 /nfs/dbraw/zinc/93/44/95/1040934495.db2.gz OVNAXGKQCFUCLO-YLJYHZDGSA-N 2 2 323.484 4.033 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464476 1040934599 /nfs/dbraw/zinc/93/45/99/1040934599.db2.gz OVNAXGKQCFUCLO-FXAWDEMLSA-N 2 2 323.484 4.033 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464476 1040934621 /nfs/dbraw/zinc/93/46/21/1040934621.db2.gz OVNAXGKQCFUCLO-FXAWDEMLSA-N 2 2 323.484 4.033 20 0 DIADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(Cl)c1 ZINC001140799465 1041033161 /nfs/dbraw/zinc/03/31/61/1041033161.db2.gz DNWDTWCWOHFOHR-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(Cl)c1 ZINC001140799465 1041033176 /nfs/dbraw/zinc/03/31/76/1041033176.db2.gz DNWDTWCWOHFOHR-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cccc[nH+]3)cc2)C1 ZINC000613516326 1041073860 /nfs/dbraw/zinc/07/38/60/1041073860.db2.gz DUWHMKQQKGNRSU-IAGOWNOFSA-N 2 2 309.457 4.172 20 0 DIADLP CCOc1cccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000162871926 1041187677 /nfs/dbraw/zinc/18/76/77/1041187677.db2.gz ANLPTHHUAPLSKC-MRXNPFEDSA-N 2 2 313.445 4.023 20 0 DIADLP CCCCCC[C@H](CC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001170604888 1041383390 /nfs/dbraw/zinc/38/33/90/1041383390.db2.gz XLUAZZUUAKZAQT-KRWDZBQOSA-N 2 2 303.494 4.389 20 0 DIADLP c1cn(CCCC2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000783030490 1041437135 /nfs/dbraw/zinc/43/71/35/1041437135.db2.gz KZJQHSKNQFEEND-FQEVSTJZSA-N 2 2 323.484 4.105 20 0 DIADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC(F)(F)C1 ZINC000628298336 1041708557 /nfs/dbraw/zinc/70/85/57/1041708557.db2.gz CBIULNPORYAFEN-HNNXBMFYSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC(F)(F)C1 ZINC000628298336 1041708562 /nfs/dbraw/zinc/70/85/62/1041708562.db2.gz CBIULNPORYAFEN-HNNXBMFYSA-N 2 2 322.443 4.065 20 0 DIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000195120778 1041801006 /nfs/dbraw/zinc/80/10/06/1041801006.db2.gz RJINBGAJPHAIHR-UHFFFAOYSA-N 2 2 323.893 4.217 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cn1 ZINC000651685417 1041880439 /nfs/dbraw/zinc/88/04/39/1041880439.db2.gz SKCZTAAEDYILNY-QGZVFWFLSA-N 2 2 320.440 4.076 20 0 DIADLP c1coc([C@@H]2[N@H+](CCC[NH+]3CCCCC3)CC23CCCC3)c1 ZINC000661435831 1041937592 /nfs/dbraw/zinc/93/75/92/1041937592.db2.gz IMRMSZMTQFASIX-SFHVURJKSA-N 2 2 302.462 4.073 20 0 DIADLP c1coc([C@@H]2[N@@H+](CCC[NH+]3CCCCC3)CC23CCCC3)c1 ZINC000661435831 1041937596 /nfs/dbraw/zinc/93/75/96/1041937596.db2.gz IMRMSZMTQFASIX-SFHVURJKSA-N 2 2 302.462 4.073 20 0 DIADLP CC(C)c1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000663315394 1042111021 /nfs/dbraw/zinc/11/10/21/1042111021.db2.gz UYMGQVORCMEGNA-UHFFFAOYSA-N 2 2 319.452 4.345 20 0 DIADLP CC1(C)C[C@]1([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000663337652 1042125414 /nfs/dbraw/zinc/12/54/14/1042125414.db2.gz CQQJFFXXXBDXOM-IBGZPJMESA-N 2 2 323.465 4.349 20 0 DIADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000817955304 1042131677 /nfs/dbraw/zinc/13/16/77/1042131677.db2.gz VJQMSFRAFQWRRM-DYVFJYSZSA-N 2 2 318.848 4.008 20 0 DIADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000817955305 1042131688 /nfs/dbraw/zinc/13/16/88/1042131688.db2.gz VJQMSFRAFQWRRM-GUYCJALGSA-N 2 2 318.848 4.008 20 0 DIADLP Nc1cc[nH+]c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000925768086 1042137969 /nfs/dbraw/zinc/13/79/69/1042137969.db2.gz SGBOMUPJZUEFIJ-GOSISDBHSA-N 2 2 315.848 4.338 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170935231 1042192370 /nfs/dbraw/zinc/19/23/70/1042192370.db2.gz QZJBVYMGVCRTCA-KRWDZBQOSA-N 2 2 320.908 4.004 20 0 DIADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170943026 1042204801 /nfs/dbraw/zinc/20/48/01/1042204801.db2.gz JBXWPVMERBZTQT-QGZVFWFLSA-N 2 2 320.908 4.002 20 0 DIADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170943026 1042204805 /nfs/dbraw/zinc/20/48/05/1042204805.db2.gz JBXWPVMERBZTQT-QGZVFWFLSA-N 2 2 320.908 4.002 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)sc1Cl ZINC000643547102 1042229955 /nfs/dbraw/zinc/22/99/55/1042229955.db2.gz ZTTCNCYNXUPVHX-VHSXEESVSA-N 2 2 319.301 4.380 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2o1 ZINC000319756419 1042246335 /nfs/dbraw/zinc/24/63/35/1042246335.db2.gz JSZMAWGDRXWPGY-KBXCAEBGSA-N 2 2 311.429 4.395 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2o1 ZINC000319756422 1042246722 /nfs/dbraw/zinc/24/67/22/1042246722.db2.gz JSZMAWGDRXWPGY-RDTXWAMCSA-N 2 2 311.429 4.395 20 0 DIADLP CCCC[C@@H](CC(C)C)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246188304 1042290332 /nfs/dbraw/zinc/29/03/32/1042290332.db2.gz DZBCKLIOJUTSKT-LSDHHAIUSA-N 2 2 308.432 4.111 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(OC)c1 ZINC000162843332 1042297661 /nfs/dbraw/zinc/29/76/61/1042297661.db2.gz HVOVOUGKJFMILO-GOSISDBHSA-N 2 2 313.445 4.023 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000822812804 1042301774 /nfs/dbraw/zinc/30/17/74/1042301774.db2.gz NAFRNEGTVYGSIF-OCCSQVGLSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000822836414 1042302615 /nfs/dbraw/zinc/30/26/15/1042302615.db2.gz UDQHZOUZCUODEI-JSGCOSHPSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000822836418 1042302738 /nfs/dbraw/zinc/30/27/38/1042302738.db2.gz UDQHZOUZCUODEI-TZMCWYRMSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@H]([NH2+]CCCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320041694 1042303474 /nfs/dbraw/zinc/30/34/74/1042303474.db2.gz QZRVLICNBSHJGI-KRWDZBQOSA-N 2 2 305.425 4.156 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cc(Cl)c1F ZINC000925831425 1042320336 /nfs/dbraw/zinc/32/03/36/1042320336.db2.gz SVQWVXAPNJUFIA-TTYIIPLBSA-N 2 2 317.235 4.066 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000320342347 1042374803 /nfs/dbraw/zinc/37/48/03/1042374803.db2.gz OORVGTWVSAIDCW-SJORKVTESA-N 2 2 305.425 4.327 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152221736 1042434123 /nfs/dbraw/zinc/43/41/23/1042434123.db2.gz QXVROGJLRAWCDQ-INIZCTEOSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)s1 ZINC000152221812 1042434345 /nfs/dbraw/zinc/43/43/45/1042434345.db2.gz BWXNXZCILMLZHU-CQSZACIVSA-N 2 2 311.454 4.401 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1F ZINC000419286872 1042461749 /nfs/dbraw/zinc/46/17/49/1042461749.db2.gz GDVRFLJNJNZQOZ-GFCCVEGCSA-N 2 2 310.844 4.147 20 0 DIADLP FC(F)(F)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000420951854 1042616773 /nfs/dbraw/zinc/61/67/73/1042616773.db2.gz RGMMDEYLVRHSGC-HNNXBMFYSA-N 2 2 323.362 4.037 20 0 DIADLP FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000420951854 1042616776 /nfs/dbraw/zinc/61/67/76/1042616776.db2.gz RGMMDEYLVRHSGC-HNNXBMFYSA-N 2 2 323.362 4.037 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000422847024 1042690938 /nfs/dbraw/zinc/69/09/38/1042690938.db2.gz QTZXVFQOQQZBDG-IXDOHACOSA-N 2 2 314.429 4.097 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000423230944 1042701953 /nfs/dbraw/zinc/70/19/53/1042701953.db2.gz ABIRMSKXAPHGQK-NHCUHLMSSA-N 2 2 323.484 4.336 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239935 1042702308 /nfs/dbraw/zinc/70/23/08/1042702308.db2.gz BVMOZHFCCMEABF-QUCCMNQESA-N 2 2 319.452 4.143 20 0 DIADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000423231971 1042702495 /nfs/dbraw/zinc/70/24/95/1042702495.db2.gz BNMSAVHLPAVXDV-WBMJQRKESA-N 2 2 308.347 4.056 20 0 DIADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423246706 1042703077 /nfs/dbraw/zinc/70/30/77/1042703077.db2.gz PUIZBMRHOYYBRO-DLBZAZTESA-N 2 2 320.383 4.029 20 0 DIADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423246707 1042703607 /nfs/dbraw/zinc/70/36/07/1042703607.db2.gz PUIZBMRHOYYBRO-IAGOWNOFSA-N 2 2 320.383 4.029 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423366353 1042708114 /nfs/dbraw/zinc/70/81/14/1042708114.db2.gz QEXQNSYUDHRPEF-GQIGUUNPSA-N 2 2 324.468 4.011 20 0 DIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423494569 1042716270 /nfs/dbraw/zinc/71/62/70/1042716270.db2.gz AXQKQSMAYCNMEP-GUYCJALGSA-N 2 2 310.432 4.052 20 0 DIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccccc21 ZINC000423513161 1042717815 /nfs/dbraw/zinc/71/78/15/1042717815.db2.gz VIEOXJMWUXYKML-ZWKOTPCHSA-N 2 2 312.482 4.076 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000514230471 1042775998 /nfs/dbraw/zinc/77/59/98/1042775998.db2.gz YQNHWTMWUWTUFI-CABCVRRESA-N 2 2 319.399 4.348 20 0 DIADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000514693563 1042788207 /nfs/dbraw/zinc/78/82/07/1042788207.db2.gz RAFHPAAFXLBRBK-UHFFFAOYSA-N 2 2 311.473 4.192 20 0 DIADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514762748 1042790346 /nfs/dbraw/zinc/79/03/46/1042790346.db2.gz SASXAUGYFIKZPW-SQGPQFPESA-N 2 2 311.473 4.236 20 0 DIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163797061 1042915608 /nfs/dbraw/zinc/91/56/08/1042915608.db2.gz BPOWSUGLBLKMQA-ZDUSSCGKSA-N 2 2 318.490 4.123 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2ccccc2n1 ZINC000178552392 1043133510 /nfs/dbraw/zinc/13/35/10/1043133510.db2.gz HGRJQKIRPVEOIE-MRXNPFEDSA-N 2 2 320.440 4.173 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)s1 ZINC000427863783 1043311759 /nfs/dbraw/zinc/31/17/59/1043311759.db2.gz JLRICEBWNTZWHS-GDBMZVCRSA-N 2 2 323.465 4.277 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1C ZINC000268790845 1043330517 /nfs/dbraw/zinc/33/05/17/1043330517.db2.gz XYRLYUOBKGVDAZ-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP c1cn(-c2ccc(C[NH2+]CCCCCc3ccccc3)cc2)c[nH+]1 ZINC000520963466 1043347262 /nfs/dbraw/zinc/34/72/62/1043347262.db2.gz LCDSXLZBWRVJAC-UHFFFAOYSA-N 2 2 319.452 4.375 20 0 DIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000925303651 1043410506 /nfs/dbraw/zinc/41/05/06/1043410506.db2.gz PJSNDPREJMBJBQ-LLVKDONJSA-N 2 2 320.424 4.290 20 0 DIADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000872023736 1043424446 /nfs/dbraw/zinc/42/44/46/1043424446.db2.gz JYWYCWRCFNDGEA-QWHCGFSZSA-N 2 2 305.388 4.009 20 0 DIADLP Cc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CCC2)o1 ZINC000349445586 1043507198 /nfs/dbraw/zinc/50/71/98/1043507198.db2.gz FWSVHJPBXAZXIL-LJQANCHMSA-N 2 2 313.445 4.306 20 0 DIADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000349420873 1043508284 /nfs/dbraw/zinc/50/82/84/1043508284.db2.gz SHTYTRPXRFYFGB-UHFFFAOYSA-N 2 2 315.436 4.023 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014462 1043546571 /nfs/dbraw/zinc/54/65/71/1043546571.db2.gz BOUPWZLIOQKLCC-VQTJNVASSA-N 2 2 314.517 4.455 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014462 1043546588 /nfs/dbraw/zinc/54/65/88/1043546588.db2.gz BOUPWZLIOQKLCC-VQTJNVASSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718014255 1043547927 /nfs/dbraw/zinc/54/79/27/1043547927.db2.gz DNMNDADXDWQWCU-UIFIKXQLSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718014255 1043547942 /nfs/dbraw/zinc/54/79/42/1043547942.db2.gz DNMNDADXDWQWCU-UIFIKXQLSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168017076 1043553245 /nfs/dbraw/zinc/55/32/45/1043553245.db2.gz WVBVYRMJTXFICE-OKZBNKHCSA-N 2 2 323.484 4.174 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602132 1043605829 /nfs/dbraw/zinc/60/58/29/1043605829.db2.gz HXGWYZGVSOBSLA-LAUBAEHRSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602132 1043605835 /nfs/dbraw/zinc/60/58/35/1043605835.db2.gz HXGWYZGVSOBSLA-LAUBAEHRSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602133 1043606092 /nfs/dbraw/zinc/60/60/92/1043606092.db2.gz HXGWYZGVSOBSLA-UTKZUKDTSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602133 1043606101 /nfs/dbraw/zinc/60/61/01/1043606101.db2.gz HXGWYZGVSOBSLA-UTKZUKDTSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccoc1 ZINC000353534632 1043613087 /nfs/dbraw/zinc/61/30/87/1043613087.db2.gz YZJTVKADVDSMAV-KRWDZBQOSA-N 2 2 301.434 4.244 20 0 DIADLP CC(C)(C)C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000353610432 1043622308 /nfs/dbraw/zinc/62/23/08/1043622308.db2.gz MMLGYKWPJRGNOZ-MAUKXSAKSA-N 2 2 315.436 4.173 20 0 DIADLP CC(C)CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccoc1 ZINC000353601142 1043622568 /nfs/dbraw/zinc/62/25/68/1043622568.db2.gz ASORPWCYPOHUBU-ACBHZAAOSA-N 2 2 304.478 4.363 20 0 DIADLP Fc1ccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000353609355 1043623333 /nfs/dbraw/zinc/62/33/33/1043623333.db2.gz MLLCTDKDNDWPIU-SFHVURJKSA-N 2 2 321.399 4.001 20 0 DIADLP Fc1ccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000353609355 1043623339 /nfs/dbraw/zinc/62/33/39/1043623339.db2.gz MLLCTDKDNDWPIU-SFHVURJKSA-N 2 2 321.399 4.001 20 0 DIADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000353619341 1043625530 /nfs/dbraw/zinc/62/55/30/1043625530.db2.gz HBYCPRRLGDDCDX-HUUCEWRRSA-N 2 2 303.837 4.051 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000353669238 1043631368 /nfs/dbraw/zinc/63/13/68/1043631368.db2.gz UAMFYHWODJVXQA-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000522379106 1043657354 /nfs/dbraw/zinc/65/73/54/1043657354.db2.gz YBGYBBIXWPRQHV-UHFFFAOYSA-N 2 2 318.436 4.216 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2C)cn1 ZINC000126343532 1043744292 /nfs/dbraw/zinc/74/42/92/1043744292.db2.gz OJNWAQMDUDONGB-INIZCTEOSA-N 2 2 320.440 4.043 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000356063729 1043804164 /nfs/dbraw/zinc/80/41/64/1043804164.db2.gz WMAAVMQJHABHBH-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000356063729 1043804185 /nfs/dbraw/zinc/80/41/85/1043804185.db2.gz WMAAVMQJHABHBH-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132459 1043813114 /nfs/dbraw/zinc/81/31/14/1043813114.db2.gz HVAUOIXPZFPYHC-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132459 1043813143 /nfs/dbraw/zinc/81/31/43/1043813143.db2.gz HVAUOIXPZFPYHC-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132459 1043813163 /nfs/dbraw/zinc/81/31/63/1043813163.db2.gz HVAUOIXPZFPYHC-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cscc2C(F)(F)F)C[C@H]1C ZINC000356132459 1043813178 /nfs/dbraw/zinc/81/31/78/1043813178.db2.gz HVAUOIXPZFPYHC-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132462 1043813484 /nfs/dbraw/zinc/81/34/84/1043813484.db2.gz HVAUOIXPZFPYHC-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132462 1043813498 /nfs/dbraw/zinc/81/34/98/1043813498.db2.gz HVAUOIXPZFPYHC-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132462 1043813511 /nfs/dbraw/zinc/81/35/11/1043813511.db2.gz HVAUOIXPZFPYHC-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC000356132462 1043813530 /nfs/dbraw/zinc/81/35/30/1043813530.db2.gz HVAUOIXPZFPYHC-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1nccc2ccccc21 ZINC000289799336 1043877852 /nfs/dbraw/zinc/87/78/52/1043877852.db2.gz OUJZVZCLJIEGGJ-INIZCTEOSA-N 2 2 320.440 4.173 20 0 DIADLP Cc1cc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cs1 ZINC001202547045 1043889471 /nfs/dbraw/zinc/88/94/71/1043889471.db2.gz QMNQOIUGAVWKPT-UHFFFAOYSA-N 2 2 317.845 4.185 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1)CCC2 ZINC000474806050 1043924835 /nfs/dbraw/zinc/92/48/35/1043924835.db2.gz CXAIERALLYODOG-RYRKJORJSA-N 2 2 303.494 4.263 20 0 DIADLP CCCC[N@H+](Cc1nc(C)c(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034372 1043985525 /nfs/dbraw/zinc/98/55/25/1043985525.db2.gz ZJXWUYMYGRGVGK-UHFFFAOYSA-N 2 2 321.509 4.203 20 0 DIADLP CCCC[N@@H+](Cc1nc(C)c(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034372 1043985534 /nfs/dbraw/zinc/98/55/34/1043985534.db2.gz ZJXWUYMYGRGVGK-UHFFFAOYSA-N 2 2 321.509 4.203 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981105 1044042010 /nfs/dbraw/zinc/04/20/10/1044042010.db2.gz WKZGLWMCQXQYRW-PXNSSMCTSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981105 1044042026 /nfs/dbraw/zinc/04/20/26/1044042026.db2.gz WKZGLWMCQXQYRW-PXNSSMCTSA-N 2 2 316.489 4.168 20 0 DIADLP c1cn(C[C@H]([NH2+]Cc2ccccc2C2CC2)c2ccccc2)c[nH+]1 ZINC000880569666 1044049634 /nfs/dbraw/zinc/04/96/34/1044049634.db2.gz NZDMIHCPBOENOZ-NRFANRHFSA-N 2 2 317.436 4.292 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000562104640 1044067072 /nfs/dbraw/zinc/06/70/72/1044067072.db2.gz VEPVDQKRJKEXDN-ZIAGYGMSSA-N 2 2 323.440 4.235 20 0 DIADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000359051909 1044124676 /nfs/dbraw/zinc/12/46/76/1044124676.db2.gz DLHVKNQFUDLIGZ-JMLCCBQJSA-N 2 2 308.416 4.022 20 0 DIADLP Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000443983898 1044146590 /nfs/dbraw/zinc/14/65/90/1044146590.db2.gz RLKCPBVCSABCHS-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000883194645 1044233332 /nfs/dbraw/zinc/23/33/32/1044233332.db2.gz ZRTPSXDHMTXASZ-ZWKOTPCHSA-N 2 2 309.457 4.016 20 0 DIADLP Fc1cccc2c1CC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387295 1044299602 /nfs/dbraw/zinc/29/96/02/1044299602.db2.gz VFXKRETWJXNGMN-UXHICEINSA-N 2 2 321.399 4.041 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386279 1044299860 /nfs/dbraw/zinc/29/98/60/1044299860.db2.gz CSAHYHFJBLPUMC-YLJYHZDGSA-N 2 2 305.425 4.284 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386913 1044300267 /nfs/dbraw/zinc/30/02/67/1044300267.db2.gz OPDYEOKTOWHRAK-FXAWDEMLSA-N 2 2 305.425 4.284 20 0 DIADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386604 1044300302 /nfs/dbraw/zinc/30/03/02/1044300302.db2.gz JHVAKRIWGVASHY-NHCUHLMSSA-N 2 2 317.436 4.210 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000883387988 1044302214 /nfs/dbraw/zinc/30/22/14/1044302214.db2.gz JYIAOWDQNBEURK-CRAIPNDOSA-N 2 2 311.454 4.345 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)oc1C ZINC000883388398 1044303029 /nfs/dbraw/zinc/30/30/29/1044303029.db2.gz UNPNSXHYCYKOSJ-MAUKXSAKSA-N 2 2 309.413 4.185 20 0 DIADLP CCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883398184 1044303302 /nfs/dbraw/zinc/30/33/02/1044303302.db2.gz FVJCVNIVYCDDHD-GOSISDBHSA-N 2 2 311.454 4.038 20 0 DIADLP FC(F)C1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387987 1044303340 /nfs/dbraw/zinc/30/33/40/1044303340.db2.gz JXTKHMWEUBODBN-OFLPRAFFSA-N 2 2 319.399 4.038 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000883387991 1044304461 /nfs/dbraw/zinc/30/44/61/1044304461.db2.gz JYIAOWDQNBEURK-YJBOKZPZSA-N 2 2 311.454 4.345 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000361007175 1044344868 /nfs/dbraw/zinc/34/48/68/1044344868.db2.gz CQMGNTKDKGILKK-QGZVFWFLSA-N 2 2 319.399 4.293 20 0 DIADLP C[C@@H]1CC([N@@H+]2CCc3occc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062671 1044386581 /nfs/dbraw/zinc/38/65/81/1044386581.db2.gz LHQDOJYOKOMCRC-IAGOWNOFSA-N 2 2 324.468 4.079 20 0 DIADLP C[C@@H]1CC([N@H+]2CCc3occc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062671 1044386598 /nfs/dbraw/zinc/38/65/98/1044386598.db2.gz LHQDOJYOKOMCRC-IAGOWNOFSA-N 2 2 324.468 4.079 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000361483057 1044407584 /nfs/dbraw/zinc/40/75/84/1044407584.db2.gz BUYAHYVIDZQSNP-FQEVSTJZSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CC3CCC2CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065697 1044411264 /nfs/dbraw/zinc/41/12/64/1044411264.db2.gz XROJGNFMWOTCHT-WOKRCIATSA-N 2 2 312.501 4.302 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CC3CCC2CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065697 1044411269 /nfs/dbraw/zinc/41/12/69/1044411269.db2.gz XROJGNFMWOTCHT-WOKRCIATSA-N 2 2 312.501 4.302 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065697 1044411273 /nfs/dbraw/zinc/41/12/73/1044411273.db2.gz XROJGNFMWOTCHT-WOKRCIATSA-N 2 2 312.501 4.302 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+]2CC3CCC2CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065697 1044411278 /nfs/dbraw/zinc/41/12/78/1044411278.db2.gz XROJGNFMWOTCHT-WOKRCIATSA-N 2 2 312.501 4.302 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361861529 1044453505 /nfs/dbraw/zinc/45/35/05/1044453505.db2.gz CDIZAKJMFWPGJU-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1[nH]c(C2CCN(c3[nH+]ccc4ccc(C)cc43)CC2)[nH+]c1C ZINC000884705940 1044551549 /nfs/dbraw/zinc/55/15/49/1044551549.db2.gz MVNQZLGLCAYCIT-UHFFFAOYSA-N 2 2 320.440 4.267 20 0 DIADLP Fc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567733567 1044582459 /nfs/dbraw/zinc/58/24/59/1044582459.db2.gz JSRGTZXBOBCWHR-LJQANCHMSA-N 2 2 324.443 4.113 20 0 DIADLP Fc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567733567 1044582476 /nfs/dbraw/zinc/58/24/76/1044582476.db2.gz JSRGTZXBOBCWHR-LJQANCHMSA-N 2 2 324.443 4.113 20 0 DIADLP Clc1cccc([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000444789024 1044629635 /nfs/dbraw/zinc/62/96/35/1044629635.db2.gz BRYZCXBSXKFSGQ-KRWDZBQOSA-N 2 2 303.837 4.154 20 0 DIADLP Clc1cccc([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000444789024 1044629638 /nfs/dbraw/zinc/62/96/38/1044629638.db2.gz BRYZCXBSXKFSGQ-KRWDZBQOSA-N 2 2 303.837 4.154 20 0 DIADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886666533 1044677883 /nfs/dbraw/zinc/67/78/83/1044677883.db2.gz UUVNTOFNFATESI-ZDUSSCGKSA-N 2 2 319.399 4.245 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)CCC2 ZINC000366207818 1044713162 /nfs/dbraw/zinc/71/31/62/1044713162.db2.gz DGTNUCRVKZCUIQ-NWDGAFQWSA-N 2 2 309.866 4.135 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC(c3ccccc3)CC1)CCC2 ZINC000366207310 1044714094 /nfs/dbraw/zinc/71/40/94/1044714094.db2.gz AIJBQDROEOUZJY-IOJLRTSASA-N 2 2 323.484 4.385 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@H]1c1ccccc1 ZINC000570384089 1044754800 /nfs/dbraw/zinc/75/48/00/1044754800.db2.gz YVHLAYCWJOAJCB-UXHICEINSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@H]1c1ccccc1 ZINC000570384089 1044754814 /nfs/dbraw/zinc/75/48/14/1044754814.db2.gz YVHLAYCWJOAJCB-UXHICEINSA-N 2 2 324.443 4.240 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CCC2 ZINC000368721075 1044786325 /nfs/dbraw/zinc/78/63/25/1044786325.db2.gz DFPSQVGWDWOYAO-UFYCRDLUSA-N 2 2 323.484 4.070 20 0 DIADLP C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000570916149 1044790231 /nfs/dbraw/zinc/79/02/31/1044790231.db2.gz GZTSKFDOEFYXPQ-SFHVURJKSA-N 2 2 319.452 4.042 20 0 DIADLP C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445759845 1044812948 /nfs/dbraw/zinc/81/29/48/1044812948.db2.gz OHFHLZIIPIDRCX-KBPBESRZSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445759845 1044812965 /nfs/dbraw/zinc/81/29/65/1044812965.db2.gz OHFHLZIIPIDRCX-KBPBESRZSA-N 2 2 324.871 4.222 20 0 DIADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CCCCn3cc[nH+]c3)C2)cc1 ZINC000572332683 1044853515 /nfs/dbraw/zinc/85/35/15/1044853515.db2.gz JNLBTMGIJADEOU-SJLPKXTDSA-N 2 2 317.864 4.243 20 0 DIADLP Clc1ccc([C@@H]2CC[C@H]([NH2+]CCCCn3cc[nH+]c3)C2)cc1 ZINC000572332681 1044854774 /nfs/dbraw/zinc/85/47/74/1044854774.db2.gz JNLBTMGIJADEOU-AEFFLSMTSA-N 2 2 317.864 4.243 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)cc1 ZINC000572686561 1044870911 /nfs/dbraw/zinc/87/09/11/1044870911.db2.gz RDFRGHDEZSBAAH-BEFAXECRSA-N 2 2 317.436 4.285 20 0 DIADLP C[C@@H]1CCC[C@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845300 1044927401 /nfs/dbraw/zinc/92/74/01/1044927401.db2.gz LZVMIHULPABXRN-SJORKVTESA-N 2 2 304.478 4.002 20 0 DIADLP C[C@@H]1CCC[C@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845300 1044927412 /nfs/dbraw/zinc/92/74/12/1044927412.db2.gz LZVMIHULPABXRN-SJORKVTESA-N 2 2 304.478 4.002 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccsc3)cc2)c[nH+]1 ZINC000337632068 1044928488 /nfs/dbraw/zinc/92/84/88/1044928488.db2.gz POOGXGMLJGWHSZ-GOSISDBHSA-N 2 2 309.438 4.271 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccsc3)cc2)c[nH+]1 ZINC000337632068 1044928501 /nfs/dbraw/zinc/92/85/01/1044928501.db2.gz POOGXGMLJGWHSZ-GOSISDBHSA-N 2 2 309.438 4.271 20 0 DIADLP Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000337640196 1044930911 /nfs/dbraw/zinc/93/09/11/1044930911.db2.gz XGRFHIVTGXWBEK-KRWDZBQOSA-N 2 2 305.425 4.374 20 0 DIADLP Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000337640196 1044930920 /nfs/dbraw/zinc/93/09/20/1044930920.db2.gz XGRFHIVTGXWBEK-KRWDZBQOSA-N 2 2 305.425 4.374 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(OC)cc1 ZINC000152236498 1045040257 /nfs/dbraw/zinc/04/02/57/1045040257.db2.gz HOVJJQUYOGFDFU-LJQANCHMSA-N 2 2 321.424 4.122 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471708 1045060378 /nfs/dbraw/zinc/06/03/78/1045060378.db2.gz VKUOQCJXOXPKGO-MJGOQNOKSA-N 2 2 318.505 4.026 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471708 1045060389 /nfs/dbraw/zinc/06/03/89/1045060389.db2.gz VKUOQCJXOXPKGO-MJGOQNOKSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471708 1045060398 /nfs/dbraw/zinc/06/03/98/1045060398.db2.gz VKUOQCJXOXPKGO-MJGOQNOKSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471708 1045060402 /nfs/dbraw/zinc/06/04/02/1045060402.db2.gz VKUOQCJXOXPKGO-MJGOQNOKSA-N 2 2 318.505 4.026 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772425 1045078161 /nfs/dbraw/zinc/07/81/61/1045078161.db2.gz URBNDBDPMYQKBW-UXHICEINSA-N 2 2 306.453 4.101 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772425 1045078174 /nfs/dbraw/zinc/07/81/74/1045078174.db2.gz URBNDBDPMYQKBW-UXHICEINSA-N 2 2 306.453 4.101 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCCC2)cc1 ZINC000576793296 1045080279 /nfs/dbraw/zinc/08/02/79/1045080279.db2.gz PFWYGPCZIFELNG-GHTZIAJQSA-N 2 2 323.484 4.487 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCCC2)cc1 ZINC000576793304 1045080576 /nfs/dbraw/zinc/08/05/76/1045080576.db2.gz PFWYGPCZIFELNG-WIYYLYMNSA-N 2 2 323.484 4.487 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@@H+]1C ZINC000525709178 1045113246 /nfs/dbraw/zinc/11/32/46/1045113246.db2.gz ZAUWBFWMOILPMO-ZIAGYGMSSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@H+]1C ZINC000525709178 1045113256 /nfs/dbraw/zinc/11/32/56/1045113256.db2.gz ZAUWBFWMOILPMO-ZIAGYGMSSA-N 2 2 318.848 4.172 20 0 DIADLP Clc1cc(Cl)cc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000447314552 1045118835 /nfs/dbraw/zinc/11/88/35/1045118835.db2.gz NCFOQNQHRLUDTK-ZDUSSCGKSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1cc(Cl)cc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000447314552 1045118840 /nfs/dbraw/zinc/11/88/40/1045118840.db2.gz NCFOQNQHRLUDTK-ZDUSSCGKSA-N 2 2 324.255 4.139 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000447560355 1045148857 /nfs/dbraw/zinc/14/88/57/1045148857.db2.gz VQPZZNMRXNXQAO-FMKPAKJESA-N 2 2 314.395 4.061 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000447560355 1045148864 /nfs/dbraw/zinc/14/88/64/1045148864.db2.gz VQPZZNMRXNXQAO-FMKPAKJESA-N 2 2 314.395 4.061 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1csc(C(F)(F)F)c1 ZINC000924593397 1045181768 /nfs/dbraw/zinc/18/17/68/1045181768.db2.gz XSUPUHZPRLEAKO-SNVBAGLBSA-N 2 2 318.408 4.044 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355678 1045220714 /nfs/dbraw/zinc/22/07/14/1045220714.db2.gz HMBCOINAAMTLIB-HIFRSBDPSA-N 2 2 303.837 4.046 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355678 1045220727 /nfs/dbraw/zinc/22/07/27/1045220727.db2.gz HMBCOINAAMTLIB-HIFRSBDPSA-N 2 2 303.837 4.046 20 0 DIADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925167176 1045232680 /nfs/dbraw/zinc/23/26/80/1045232680.db2.gz AVPCBKYBXNJKAK-DZGCQCFKSA-N 2 2 309.413 4.166 20 0 DIADLP c1cn(CCCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)c[nH+]1 ZINC000527643627 1045244329 /nfs/dbraw/zinc/24/43/29/1045244329.db2.gz VKTXAVJJLGLFOM-PMACEKPBSA-N 2 2 311.473 4.369 20 0 DIADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000527893181 1045273727 /nfs/dbraw/zinc/27/37/27/1045273727.db2.gz IIHGJXNXKMWVNX-JRSKDTKFSA-N 2 2 322.855 4.073 20 0 DIADLP CC(C)(C[NH2+]C1CCC(OC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000449062756 1045339082 /nfs/dbraw/zinc/33/90/82/1045339082.db2.gz KLXIOVFHNCQZCF-UHFFFAOYSA-N 2 2 322.537 4.111 20 0 DIADLP Fc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449352533 1045380856 /nfs/dbraw/zinc/38/08/56/1045380856.db2.gz VBFIMSPZXSQOFA-HXUWFJFHSA-N 2 2 321.399 4.179 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000302799141 1045507544 /nfs/dbraw/zinc/50/75/44/1045507544.db2.gz OEQQYTSVQDUHRK-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000302799141 1045507548 /nfs/dbraw/zinc/50/75/48/1045507548.db2.gz OEQQYTSVQDUHRK-UHFFFAOYSA-N 2 2 311.816 4.158 20 0 DIADLP Clc1cccc(Cl)c1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000450475932 1045510500 /nfs/dbraw/zinc/51/05/00/1045510500.db2.gz LQYNMSIOSIVBKY-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP Clc1cccc(Cl)c1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000450560291 1045519964 /nfs/dbraw/zinc/51/99/64/1045519964.db2.gz FDQHXQUTBIAXDD-LBPRGKRZSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1cccc(Cl)c1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000450560291 1045519975 /nfs/dbraw/zinc/51/99/75/1045519975.db2.gz FDQHXQUTBIAXDD-LBPRGKRZSA-N 2 2 324.255 4.139 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628128478 1045525017 /nfs/dbraw/zinc/52/50/17/1045525017.db2.gz HFGQOTSOMBOKEV-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628128478 1045525029 /nfs/dbraw/zinc/52/50/29/1045525029.db2.gz HFGQOTSOMBOKEV-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182854 1045534680 /nfs/dbraw/zinc/53/46/80/1045534680.db2.gz JYBAIYANYCURBN-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182854 1045534687 /nfs/dbraw/zinc/53/46/87/1045534687.db2.gz JYBAIYANYCURBN-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182854 1045534695 /nfs/dbraw/zinc/53/46/95/1045534695.db2.gz JYBAIYANYCURBN-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)C[C@H]1C ZINC000628182854 1045534703 /nfs/dbraw/zinc/53/47/03/1045534703.db2.gz JYBAIYANYCURBN-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC(F)(F)C1 ZINC000628298337 1045566017 /nfs/dbraw/zinc/56/60/17/1045566017.db2.gz CBIULNPORYAFEN-OAHLLOKOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC(F)(F)C1 ZINC000628298337 1045566033 /nfs/dbraw/zinc/56/60/33/1045566033.db2.gz CBIULNPORYAFEN-OAHLLOKOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@H]1CC2CCC1CC2 ZINC000381536442 1045569816 /nfs/dbraw/zinc/56/98/16/1045569816.db2.gz QSWKJOLBVFOVIN-QUFRXWBVSA-N 2 2 303.494 4.102 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629536028 1045676339 /nfs/dbraw/zinc/67/63/39/1045676339.db2.gz FYLLLZLNSJUBBN-GJYPPUQNSA-N 2 2 324.468 4.153 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684291 1045898294 /nfs/dbraw/zinc/89/82/94/1045898294.db2.gz YOCYKJNBYNHBGT-HNNXBMFYSA-N 2 2 303.475 4.126 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)CCC2 ZINC000531733050 1045908918 /nfs/dbraw/zinc/90/89/18/1045908918.db2.gz AJJVSJHAFVVKTP-ZCNNSNEGSA-N 2 2 323.484 4.385 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000453069547 1045915399 /nfs/dbraw/zinc/91/53/99/1045915399.db2.gz BXGHYVVEBIAIOW-GOSISDBHSA-N 2 2 311.454 4.234 20 0 DIADLP C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000828624937 1045922437 /nfs/dbraw/zinc/92/24/37/1045922437.db2.gz SWGWOHBJELDMCR-DOMZBBRYSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000828766641 1045933708 /nfs/dbraw/zinc/93/37/08/1045933708.db2.gz UMAXDIOOOIIILZ-WFASDCNBSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802301166 1045945452 /nfs/dbraw/zinc/94/54/52/1045945452.db2.gz NGBLXMQHNCFXMI-BVBHFADKSA-N 2 2 311.473 4.080 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000802301937 1045946794 /nfs/dbraw/zinc/94/67/94/1045946794.db2.gz TYFJFGPRTZINCC-NDXORKPFSA-N 2 2 317.436 4.154 20 0 DIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCC1 ZINC000453173259 1045965608 /nfs/dbraw/zinc/96/56/08/1045965608.db2.gz OCLVPYGFGXLXLX-OXQOHEQNSA-N 2 2 315.505 4.165 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000756033469 1046040041 /nfs/dbraw/zinc/04/00/41/1046040041.db2.gz KDAHXYHAEAFWFL-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000756033469 1046040056 /nfs/dbraw/zinc/04/00/56/1046040056.db2.gz KDAHXYHAEAFWFL-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccc12 ZINC001138014403 1046056982 /nfs/dbraw/zinc/05/69/82/1046056982.db2.gz MJORBICSSZUILY-UHFFFAOYSA-N 2 2 320.480 4.066 20 0 DIADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c2ccccc12 ZINC001138014403 1046056999 /nfs/dbraw/zinc/05/69/99/1046056999.db2.gz MJORBICSSZUILY-UHFFFAOYSA-N 2 2 320.480 4.066 20 0 DIADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1c(C)noc1C ZINC000902888081 1046101898 /nfs/dbraw/zinc/10/18/98/1046101898.db2.gz PXNSHLUQARHZKM-UGSOOPFHSA-N 2 2 324.428 4.279 20 0 DIADLP C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902889361 1046102102 /nfs/dbraw/zinc/10/21/02/1046102102.db2.gz IFYKMSLQJGQOCV-MGPUTAFESA-N 2 2 318.424 4.069 20 0 DIADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206776 1046108761 /nfs/dbraw/zinc/10/87/61/1046108761.db2.gz APARGBZKJQZHBP-GOSISDBHSA-N 2 2 323.827 4.303 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000532214079 1046116797 /nfs/dbraw/zinc/11/67/97/1046116797.db2.gz SMDAQBNWYFNZEW-HOTGVXAUSA-N 2 2 323.415 4.466 20 0 DIADLP CSCCCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902959761 1046126656 /nfs/dbraw/zinc/12/66/56/1046126656.db2.gz LBQMBISCOAPQRI-HNNXBMFYSA-N 2 2 303.475 4.056 20 0 DIADLP COc1c(C)cccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903043253 1046146859 /nfs/dbraw/zinc/14/68/59/1046146859.db2.gz SSOGMZAUGJSBST-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP CSCC1(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903048198 1046147450 /nfs/dbraw/zinc/14/74/50/1046147450.db2.gz JHOJYVZNWFPITQ-HNNXBMFYSA-N 2 2 315.486 4.056 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903283242 1046221339 /nfs/dbraw/zinc/22/13/39/1046221339.db2.gz ISEVEROFOPDZTD-GOEBONIOSA-N 2 2 315.486 4.197 20 0 DIADLP CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903385221 1046262701 /nfs/dbraw/zinc/26/27/01/1046262701.db2.gz WHZXVJDZHJGQAO-UXHICEINSA-N 2 2 311.473 4.205 20 0 DIADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138723065 1046276955 /nfs/dbraw/zinc/27/69/55/1046276955.db2.gz CUELJAAMLBFQSB-HNNXBMFYSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138723065 1046276964 /nfs/dbraw/zinc/27/69/64/1046276964.db2.gz CUELJAAMLBFQSB-HNNXBMFYSA-N 2 2 316.832 4.005 20 0 DIADLP C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903884504 1046334752 /nfs/dbraw/zinc/33/47/52/1046334752.db2.gz BDTQRGULLPVXDP-ZFWWWQNUSA-N 2 2 324.440 4.294 20 0 DIADLP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903884504 1046334768 /nfs/dbraw/zinc/33/47/68/1046334768.db2.gz BDTQRGULLPVXDP-ZFWWWQNUSA-N 2 2 324.440 4.294 20 0 DIADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000903904245 1046339221 /nfs/dbraw/zinc/33/92/21/1046339221.db2.gz SKPRQJYBXSMBJG-INIZCTEOSA-N 2 2 318.411 4.002 20 0 DIADLP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903948764 1046343630 /nfs/dbraw/zinc/34/36/30/1046343630.db2.gz UHTKFQUXGGBHFA-PBASOCQRSA-N 2 2 324.443 4.095 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001139020143 1046361521 /nfs/dbraw/zinc/36/15/21/1046361521.db2.gz YEWFGEWCZSDHKM-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001139020143 1046361534 /nfs/dbraw/zinc/36/15/34/1046361534.db2.gz YEWFGEWCZSDHKM-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639200619 1046369346 /nfs/dbraw/zinc/36/93/46/1046369346.db2.gz LJBCBNDIAXFWKB-HKUYNNGSSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639200619 1046369356 /nfs/dbraw/zinc/36/93/56/1046369356.db2.gz LJBCBNDIAXFWKB-HKUYNNGSSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639200621 1046369948 /nfs/dbraw/zinc/36/99/48/1046369948.db2.gz LJBCBNDIAXFWKB-MJGOQNOKSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639200621 1046369963 /nfs/dbraw/zinc/36/99/63/1046369963.db2.gz LJBCBNDIAXFWKB-MJGOQNOKSA-N 2 2 310.441 4.046 20 0 DIADLP c1c2ccccc2oc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001139061262 1046374066 /nfs/dbraw/zinc/37/40/66/1046374066.db2.gz OFNCDBRFFAIYRZ-UHFFFAOYSA-N 2 2 324.468 4.273 20 0 DIADLP c1c2ccccc2oc1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001139061262 1046374084 /nfs/dbraw/zinc/37/40/84/1046374084.db2.gz OFNCDBRFFAIYRZ-UHFFFAOYSA-N 2 2 324.468 4.273 20 0 DIADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CCCC2 ZINC000639343155 1046383229 /nfs/dbraw/zinc/38/32/29/1046383229.db2.gz GCFYUYOWWPRRBL-RXVVDRJESA-N 2 2 321.468 4.303 20 0 DIADLP c1[nH+]c2c(n1[C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CCCC2 ZINC000639343155 1046383241 /nfs/dbraw/zinc/38/32/41/1046383241.db2.gz GCFYUYOWWPRRBL-RXVVDRJESA-N 2 2 321.468 4.303 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC001139360215 1046436862 /nfs/dbraw/zinc/43/68/62/1046436862.db2.gz LRHGLTRZZSDTID-HXUWFJFHSA-N 2 2 317.436 4.252 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC001139360215 1046436869 /nfs/dbraw/zinc/43/68/69/1046436869.db2.gz LRHGLTRZZSDTID-HXUWFJFHSA-N 2 2 317.436 4.252 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC001139360214 1046437033 /nfs/dbraw/zinc/43/70/33/1046437033.db2.gz LRHGLTRZZSDTID-FQEVSTJZSA-N 2 2 317.436 4.252 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC001139360214 1046437040 /nfs/dbraw/zinc/43/70/40/1046437040.db2.gz LRHGLTRZZSDTID-FQEVSTJZSA-N 2 2 317.436 4.252 20 0 DIADLP Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001648986950 1046443444 /nfs/dbraw/zinc/44/34/44/1046443444.db2.gz XISPUBMFHQXYGF-UHFFFAOYSA-N 2 2 323.440 4.361 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)s1 ZINC001139416448 1046447156 /nfs/dbraw/zinc/44/71/56/1046447156.db2.gz RVVNQQCSKQDWGQ-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)s1 ZINC001139416448 1046447159 /nfs/dbraw/zinc/44/71/59/1046447159.db2.gz RVVNQQCSKQDWGQ-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2c(C)cccc2C1 ZINC001140023049 1046570154 /nfs/dbraw/zinc/57/01/54/1046570154.db2.gz IWUHNTQQMVEZOL-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2c(C)cccc2C1 ZINC001140023049 1046570167 /nfs/dbraw/zinc/57/01/67/1046570167.db2.gz IWUHNTQQMVEZOL-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2OC)CC1 ZINC001140062548 1046580608 /nfs/dbraw/zinc/58/06/08/1046580608.db2.gz BQWBRLMFHIYKFE-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2OC)CC1 ZINC001140062548 1046580620 /nfs/dbraw/zinc/58/06/20/1046580620.db2.gz BQWBRLMFHIYKFE-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CCCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000642339570 1046600352 /nfs/dbraw/zinc/60/03/52/1046600352.db2.gz PFCIBZGDWTWJFS-UHFFFAOYSA-N 2 2 319.452 4.174 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC001140175285 1046607935 /nfs/dbraw/zinc/60/79/35/1046607935.db2.gz XYLNCFDTFUJDBC-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC001140175285 1046607937 /nfs/dbraw/zinc/60/79/37/1046607937.db2.gz XYLNCFDTFUJDBC-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC2(C1)CCCCC2)c1ccccc1 ZINC000643290333 1046656629 /nfs/dbraw/zinc/65/66/29/1046656629.db2.gz PMWPOUMNBZUQPN-IBGZPJMESA-N 2 2 323.484 4.406 20 0 DIADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001203033442 1046691501 /nfs/dbraw/zinc/69/15/01/1046691501.db2.gz YVLCLSPGYBNFMR-UHFFFAOYSA-N 2 2 300.446 4.014 20 0 DIADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001203033442 1046691505 /nfs/dbraw/zinc/69/15/05/1046691505.db2.gz YVLCLSPGYBNFMR-UHFFFAOYSA-N 2 2 300.446 4.014 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533426208 1046720249 /nfs/dbraw/zinc/72/02/49/1046720249.db2.gz PSLCWDBPNQMASH-APWZRJJASA-N 2 2 322.443 4.366 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533426208 1046720259 /nfs/dbraw/zinc/72/02/59/1046720259.db2.gz PSLCWDBPNQMASH-APWZRJJASA-N 2 2 322.443 4.366 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000533578058 1046756754 /nfs/dbraw/zinc/75/67/54/1046756754.db2.gz USBMZZOFCRWEHF-QINSGFPZSA-N 2 2 303.837 4.010 20 0 DIADLP CC(C)[N@H+](Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC001140639684 1046826786 /nfs/dbraw/zinc/82/67/86/1046826786.db2.gz MVMSABQXJQOJJS-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP CC(C)[N@@H+](Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC001140639684 1046826807 /nfs/dbraw/zinc/82/68/07/1046826807.db2.gz MVMSABQXJQOJJS-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000679723623 1046894073 /nfs/dbraw/zinc/89/40/73/1046894073.db2.gz OUYHDXGKTXAEMZ-XEZPLFJOSA-N 2 2 321.534 4.064 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000679723623 1046894081 /nfs/dbraw/zinc/89/40/81/1046894081.db2.gz OUYHDXGKTXAEMZ-XEZPLFJOSA-N 2 2 321.534 4.064 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000679723622 1046894484 /nfs/dbraw/zinc/89/44/84/1046894484.db2.gz OUYHDXGKTXAEMZ-WWGRRREGSA-N 2 2 321.534 4.064 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000679723622 1046894500 /nfs/dbraw/zinc/89/45/00/1046894500.db2.gz OUYHDXGKTXAEMZ-WWGRRREGSA-N 2 2 321.534 4.064 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000679723621 1046895289 /nfs/dbraw/zinc/89/52/89/1046895289.db2.gz OUYHDXGKTXAEMZ-HEHGZKQESA-N 2 2 321.534 4.064 20 0 DIADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000679723621 1046895298 /nfs/dbraw/zinc/89/52/98/1046895298.db2.gz OUYHDXGKTXAEMZ-HEHGZKQESA-N 2 2 321.534 4.064 20 0 DIADLP Fc1cccc(F)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805821 1046907400 /nfs/dbraw/zinc/90/74/00/1046907400.db2.gz MEAVZOFBHZPUGH-KRWDZBQOSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805821 1046907411 /nfs/dbraw/zinc/90/74/11/1046907411.db2.gz MEAVZOFBHZPUGH-KRWDZBQOSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c(F)c1 ZINC001140805303 1046908406 /nfs/dbraw/zinc/90/84/06/1046908406.db2.gz AAUJSIYVZAZYAX-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c(F)c1 ZINC001140805303 1046908421 /nfs/dbraw/zinc/90/84/21/1046908421.db2.gz AAUJSIYVZAZYAX-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c(F)c1 ZINC001140805302 1046908657 /nfs/dbraw/zinc/90/86/57/1046908657.db2.gz AAUJSIYVZAZYAX-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc([C@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c(F)c1 ZINC001140805302 1046908668 /nfs/dbraw/zinc/90/86/68/1046908668.db2.gz AAUJSIYVZAZYAX-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1SC(C)(C)C ZINC000798179460 1046934634 /nfs/dbraw/zinc/93/46/34/1046934634.db2.gz BHTYYQKLEXKKCQ-CQSZACIVSA-N 2 2 303.475 4.125 20 0 DIADLP CCc1ccccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001141228235 1047055357 /nfs/dbraw/zinc/05/53/57/1047055357.db2.gz CZNVDLGJTHPGFZ-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP CCc1ccccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001141228235 1047055366 /nfs/dbraw/zinc/05/53/66/1047055366.db2.gz CZNVDLGJTHPGFZ-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP CCc1ccccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001141230064 1047056526 /nfs/dbraw/zinc/05/65/26/1047056526.db2.gz WDDCDDBDZZAOAQ-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP CCc1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001141230064 1047056540 /nfs/dbraw/zinc/05/65/40/1047056540.db2.gz WDDCDDBDZZAOAQ-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC001141234049 1047057488 /nfs/dbraw/zinc/05/74/88/1047057488.db2.gz FKHVVZRBDGIGDC-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C)C1 ZINC001141234049 1047057500 /nfs/dbraw/zinc/05/75/00/1047057500.db2.gz FKHVVZRBDGIGDC-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000680856716 1047057714 /nfs/dbraw/zinc/05/77/14/1047057714.db2.gz FFXMBAJRZCYYDO-OAHLLOKOSA-N 2 2 309.816 4.197 20 0 DIADLP CCC[N@H+](Cc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141241927 1047060112 /nfs/dbraw/zinc/06/01/12/1047060112.db2.gz OPZKHDAZVZSJIG-UHFFFAOYSA-N 2 2 305.425 4.285 20 0 DIADLP CCC[N@@H+](Cc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141241927 1047060117 /nfs/dbraw/zinc/06/01/17/1047060117.db2.gz OPZKHDAZVZSJIG-UHFFFAOYSA-N 2 2 305.425 4.285 20 0 DIADLP Cc1ccccc1C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000649645492 1047156684 /nfs/dbraw/zinc/15/66/84/1047156684.db2.gz XFGJIGULCGEXJB-UHFFFAOYSA-N 2 2 317.436 4.350 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000537297032 1047161233 /nfs/dbraw/zinc/16/12/33/1047161233.db2.gz KHRMXEJLWNXOGI-OAHLLOKOSA-N 2 2 314.473 4.439 20 0 DIADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc2ccccc21 ZINC000682142852 1047177185 /nfs/dbraw/zinc/17/71/85/1047177185.db2.gz WJEWCFRXVNAMGI-LPHOPBHVSA-N 2 2 305.425 4.092 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)c1 ZINC000325404461 1047186767 /nfs/dbraw/zinc/18/67/67/1047186767.db2.gz IBJUKPQKFKDQTC-RCZSKKKRSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)c1 ZINC000325404461 1047186772 /nfs/dbraw/zinc/18/67/72/1047186772.db2.gz IBJUKPQKFKDQTC-RCZSKKKRSA-N 2 2 322.496 4.465 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001116921029 1047190849 /nfs/dbraw/zinc/19/08/49/1047190849.db2.gz SUGLKCVFJKBFOJ-YOEHRIQHSA-N 2 2 317.502 4.371 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccccc1 ZINC000682732160 1047217716 /nfs/dbraw/zinc/21/77/16/1047217716.db2.gz FUHHIJBHCLAPFB-ZWKOTPCHSA-N 2 2 309.457 4.016 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CCC1CCCCC1)c1ccccc1 ZINC000682997369 1047248399 /nfs/dbraw/zinc/24/83/99/1047248399.db2.gz NEHAHSYDZMMYCH-LJQANCHMSA-N 2 2 311.473 4.264 20 0 DIADLP Cc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)o1 ZINC000683002576 1047250576 /nfs/dbraw/zinc/25/05/76/1047250576.db2.gz MTWJLCCPBJIWOL-UHFFFAOYSA-N 2 2 321.424 4.247 20 0 DIADLP Cc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)o1 ZINC000683002576 1047250592 /nfs/dbraw/zinc/25/05/92/1047250592.db2.gz MTWJLCCPBJIWOL-UHFFFAOYSA-N 2 2 321.424 4.247 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1Cl ZINC000385952171 1047276003 /nfs/dbraw/zinc/27/60/03/1047276003.db2.gz FMUCJEIEFDBVPB-BLLLJJGKSA-N 2 2 323.843 4.441 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000390264674 1047294463 /nfs/dbraw/zinc/29/44/63/1047294463.db2.gz IRZTTWQUVDXOTJ-QZTJIDSGSA-N 2 2 315.461 4.047 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000390264673 1047295689 /nfs/dbraw/zinc/29/56/89/1047295689.db2.gz IRZTTWQUVDXOTJ-MSOLQXFVSA-N 2 2 315.461 4.047 20 0 DIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000840718102 1047319963 /nfs/dbraw/zinc/31/99/63/1047319963.db2.gz WUBCSAKKQHRBDK-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532756 1047347207 /nfs/dbraw/zinc/34/72/07/1047347207.db2.gz GRKFDIBUFBSHLL-MNOVXSKESA-N 2 2 319.251 4.125 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532756 1047347217 /nfs/dbraw/zinc/34/72/17/1047347217.db2.gz GRKFDIBUFBSHLL-MNOVXSKESA-N 2 2 319.251 4.125 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000045094491 1047358426 /nfs/dbraw/zinc/35/84/26/1047358426.db2.gz NYQDXJYXPYEZHF-LBPRGKRZSA-N 2 2 312.244 4.321 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cncc3ccccc32)cc1 ZINC000841035544 1047372558 /nfs/dbraw/zinc/37/25/58/1047372558.db2.gz IBTNLVBQTMOXTM-NRFANRHFSA-N 2 2 319.452 4.148 20 0 DIADLP C[C@H](c1ccco1)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000086232977 1047439549 /nfs/dbraw/zinc/43/95/49/1047439549.db2.gz ORGVIRBFUWAZTD-OAHLLOKOSA-N 2 2 307.397 4.191 20 0 DIADLP C[C@H](c1ccco1)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000086232977 1047439573 /nfs/dbraw/zinc/43/95/73/1047439573.db2.gz ORGVIRBFUWAZTD-OAHLLOKOSA-N 2 2 307.397 4.191 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841745855 1047448510 /nfs/dbraw/zinc/44/85/10/1047448510.db2.gz BBOZFGSUQURTAU-FHLIZLRMSA-N 2 2 323.465 4.216 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318622 1047545324 /nfs/dbraw/zinc/54/53/24/1047545324.db2.gz ROTJIRDBPUOUIS-LPHOPBHVSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000093318622 1047545329 /nfs/dbraw/zinc/54/53/29/1047545329.db2.gz ROTJIRDBPUOUIS-LPHOPBHVSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318622 1047545333 /nfs/dbraw/zinc/54/53/33/1047545333.db2.gz ROTJIRDBPUOUIS-LPHOPBHVSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318622 1047545335 /nfs/dbraw/zinc/54/53/35/1047545335.db2.gz ROTJIRDBPUOUIS-LPHOPBHVSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318617 1047545527 /nfs/dbraw/zinc/54/55/27/1047545527.db2.gz ROTJIRDBPUOUIS-VQIMIIECSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000093318617 1047545528 /nfs/dbraw/zinc/54/55/28/1047545528.db2.gz ROTJIRDBPUOUIS-VQIMIIECSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318617 1047545530 /nfs/dbraw/zinc/54/55/30/1047545530.db2.gz ROTJIRDBPUOUIS-VQIMIIECSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318617 1047545531 /nfs/dbraw/zinc/54/55/31/1047545531.db2.gz ROTJIRDBPUOUIS-VQIMIIECSA-N 2 2 314.498 4.233 20 0 DIADLP Cc1ccoc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694609 1047576357 /nfs/dbraw/zinc/57/63/57/1047576357.db2.gz OYYCFJPJNPQRKO-WOJBJXKFSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694609 1047576361 /nfs/dbraw/zinc/57/63/61/1047576361.db2.gz OYYCFJPJNPQRKO-WOJBJXKFSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000537694609 1047576367 /nfs/dbraw/zinc/57/63/67/1047576367.db2.gz OYYCFJPJNPQRKO-WOJBJXKFSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000537694609 1047576369 /nfs/dbraw/zinc/57/63/69/1047576369.db2.gz OYYCFJPJNPQRKO-WOJBJXKFSA-N 2 2 324.468 4.075 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394627 1047673926 /nfs/dbraw/zinc/67/39/26/1047673926.db2.gz IPZIFDRGXDVJET-SLEUVZQESA-N 2 2 306.837 4.220 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394627 1047673928 /nfs/dbraw/zinc/67/39/28/1047673928.db2.gz IPZIFDRGXDVJET-SLEUVZQESA-N 2 2 306.837 4.220 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000539196028 1047740077 /nfs/dbraw/zinc/74/00/77/1047740077.db2.gz LHTRAXSUYMGWHJ-KRWDZBQOSA-N 2 2 306.881 4.351 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000539196028 1047740080 /nfs/dbraw/zinc/74/00/80/1047740080.db2.gz LHTRAXSUYMGWHJ-KRWDZBQOSA-N 2 2 306.881 4.351 20 0 DIADLP CCSc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158271483 1047773029 /nfs/dbraw/zinc/77/30/29/1047773029.db2.gz HRMIXVRVNPVRNA-GUYCJALGSA-N 2 2 307.507 4.149 20 0 DIADLP c1cc([C@H]2CCC[NH2+]2)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001159167893 1047818118 /nfs/dbraw/zinc/81/81/18/1047818118.db2.gz YHOPOARYSRIMKZ-LJQANCHMSA-N 2 2 322.456 4.240 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182856149 1047853558 /nfs/dbraw/zinc/85/35/58/1047853558.db2.gz TYMGFFFLXVQPKF-STQMWFEESA-N 2 2 314.926 4.185 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182856149 1047853578 /nfs/dbraw/zinc/85/35/78/1047853578.db2.gz TYMGFFFLXVQPKF-STQMWFEESA-N 2 2 314.926 4.185 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001182855263 1047852999 /nfs/dbraw/zinc/85/29/99/1047852999.db2.gz OXHWHPUYUQEGSK-KSZLIROESA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001182855263 1047853012 /nfs/dbraw/zinc/85/30/12/1047853012.db2.gz OXHWHPUYUQEGSK-KSZLIROESA-N 2 2 320.908 4.439 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001182929595 1047870238 /nfs/dbraw/zinc/87/02/38/1047870238.db2.gz CNWNDXGATVTAKI-CGTJXYLNSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001182929595 1047870253 /nfs/dbraw/zinc/87/02/53/1047870253.db2.gz CNWNDXGATVTAKI-CGTJXYLNSA-N 2 2 306.881 4.050 20 0 DIADLP c1cc([C@@H]2CC[NH2+]C2)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001159775894 1047921422 /nfs/dbraw/zinc/92/14/22/1047921422.db2.gz OLQISJKRXFLJQG-GOSISDBHSA-N 2 2 321.468 4.497 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)ccc1F ZINC000479541719 1047923605 /nfs/dbraw/zinc/92/36/05/1047923605.db2.gz LQMBECIFAGUNKM-LADRWXRNSA-N 2 2 322.443 4.268 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1Cl ZINC001205281047 1047962711 /nfs/dbraw/zinc/96/27/11/1047962711.db2.gz OSGPNXVGSRSUMJ-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1Cl ZINC001205281047 1047962716 /nfs/dbraw/zinc/96/27/16/1047962716.db2.gz OSGPNXVGSRSUMJ-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183498546 1047936665 /nfs/dbraw/zinc/93/66/65/1047936665.db2.gz GLVAXTZNWAZQRQ-IHPCNDPISA-N 2 2 309.457 4.206 20 0 DIADLP CC(C)C1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001183501672 1047936806 /nfs/dbraw/zinc/93/68/06/1047936806.db2.gz ZWDIFELNDJMGBN-UUKMXZOPSA-N 2 2 311.473 4.429 20 0 DIADLP CC(C)(C)SCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790674 1048003031 /nfs/dbraw/zinc/00/30/31/1048003031.db2.gz LMKJRCKXQOTHTA-OAHLLOKOSA-N 2 2 323.550 4.349 20 0 DIADLP CC(C)(C)SCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790674 1048003038 /nfs/dbraw/zinc/00/30/38/1048003038.db2.gz LMKJRCKXQOTHTA-OAHLLOKOSA-N 2 2 323.550 4.349 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184250635 1048018405 /nfs/dbraw/zinc/01/84/05/1048018405.db2.gz GKVRVEDPDSHLML-KRWDZBQOSA-N 2 2 302.506 4.064 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184250635 1048018415 /nfs/dbraw/zinc/01/84/15/1048018415.db2.gz GKVRVEDPDSHLML-KRWDZBQOSA-N 2 2 302.506 4.064 20 0 DIADLP Cc1ccc(-c2cccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)c2)cc1 ZINC001199208297 1048043990 /nfs/dbraw/zinc/04/39/90/1048043990.db2.gz OYGXJLIRIZNCNH-KRWDZBQOSA-N 2 2 305.425 4.037 20 0 DIADLP c1cn(CCCC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC001199648792 1048081662 /nfs/dbraw/zinc/08/16/62/1048081662.db2.gz NVNDNMVXSWUKPB-VQTJNVASSA-N 2 2 311.473 4.369 20 0 DIADLP CCC(CC)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001199640563 1048081971 /nfs/dbraw/zinc/08/19/71/1048081971.db2.gz VRPNVYWFMSSQPU-FQEVSTJZSA-N 2 2 302.506 4.485 20 0 DIADLP Cc1ccccc1-c1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC001199648506 1048083807 /nfs/dbraw/zinc/08/38/07/1048083807.db2.gz LCTSIIDJECRYHD-UHFFFAOYSA-N 2 2 319.452 4.429 20 0 DIADLP CCC(CC)[NH+]1CCC(Nc2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001161100551 1048111123 /nfs/dbraw/zinc/11/11/23/1048111123.db2.gz GZUJQNODGJTZPN-UHFFFAOYSA-N 2 2 303.494 4.444 20 0 DIADLP Cc1ccc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)[nH+]c1C ZINC001161180947 1048112399 /nfs/dbraw/zinc/11/23/99/1048112399.db2.gz KZEICJBMMKTSOI-KRWDZBQOSA-N 2 2 315.848 4.038 20 0 DIADLP Cc1ccc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)[nH+]c1C ZINC001161180947 1048112408 /nfs/dbraw/zinc/11/24/08/1048112408.db2.gz KZEICJBMMKTSOI-KRWDZBQOSA-N 2 2 315.848 4.038 20 0 DIADLP Cc1cc(Cl)c(C)c(NCC2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC001161233273 1048115014 /nfs/dbraw/zinc/11/50/14/1048115014.db2.gz MNXMPQRQKZHQBN-UHFFFAOYSA-N 2 2 321.896 4.276 20 0 DIADLP c1ccc2c(c1)cc[nH+]c2NCC1CC[NH+](CC2CCC2)CC1 ZINC001161229373 1048115912 /nfs/dbraw/zinc/11/59/12/1048115912.db2.gz SAYXKJKZWTZUJN-UHFFFAOYSA-N 2 2 309.457 4.159 20 0 DIADLP c1[nH]c2c(cccc2Nc2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC001213031677 1048119002 /nfs/dbraw/zinc/11/90/02/1048119002.db2.gz MDTPSTZCJCVSTD-UHFFFAOYSA-N 2 2 306.413 4.292 20 0 DIADLP CSCc1cc[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001161680380 1048152478 /nfs/dbraw/zinc/15/24/78/1048152478.db2.gz CMJURZUXUJAKGP-WKILWMFISA-N 2 2 321.534 4.067 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628428 1048195661 /nfs/dbraw/zinc/19/56/61/1048195661.db2.gz XWQZVYDKZLWDNS-KNXALSJPSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628428 1048195671 /nfs/dbraw/zinc/19/56/71/1048195671.db2.gz XWQZVYDKZLWDNS-KNXALSJPSA-N 2 2 313.272 4.271 20 0 DIADLP CSc1cc[nH+]c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162187364 1048239607 /nfs/dbraw/zinc/23/96/07/1048239607.db2.gz OKHWKTVXVQTUPR-WKILWMFISA-N 2 2 319.518 4.070 20 0 DIADLP CCCCCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000480772233 1048241241 /nfs/dbraw/zinc/24/12/41/1048241241.db2.gz TVYRPDQXESXNMN-IRXDYDNUSA-N 2 2 315.461 4.191 20 0 DIADLP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000480771959 1048242775 /nfs/dbraw/zinc/24/27/75/1048242775.db2.gz CSEHFABFMDISAQ-SJORKVTESA-N 2 2 315.461 4.047 20 0 DIADLP CCN(CC)c1cc(NCC[PH+](C(C)C)C(C)C)nc[nH+]1 ZINC001162361915 1048269922 /nfs/dbraw/zinc/26/99/22/1048269922.db2.gz LFGNFJLOYBRXSW-UHFFFAOYSA-N 2 2 310.426 4.033 20 0 DIADLP CC[C@@H](C)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201508598 1048291833 /nfs/dbraw/zinc/29/18/33/1048291833.db2.gz HNAMBQNNIVFPKH-CQSZACIVSA-N 2 2 309.413 4.040 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001201566922 1048319266 /nfs/dbraw/zinc/31/92/66/1048319266.db2.gz QEOFJOPJEKEMNY-YZLZLFLDSA-N 2 2 315.505 4.021 20 0 DIADLP CC(C)CC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201620376 1048335011 /nfs/dbraw/zinc/33/50/11/1048335011.db2.gz MCGBXZZEDNQLGL-UHFFFAOYSA-N 2 2 309.413 4.040 20 0 DIADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929561 1048395405 /nfs/dbraw/zinc/39/54/05/1048395405.db2.gz NQKLGHCJYORPAK-WIYYLYMNSA-N 2 2 322.496 4.433 20 0 DIADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929561 1048395417 /nfs/dbraw/zinc/39/54/17/1048395417.db2.gz NQKLGHCJYORPAK-WIYYLYMNSA-N 2 2 322.496 4.433 20 0 DIADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929559 1048395763 /nfs/dbraw/zinc/39/57/63/1048395763.db2.gz NQKLGHCJYORPAK-NQIIRXRSSA-N 2 2 322.496 4.433 20 0 DIADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929559 1048395773 /nfs/dbraw/zinc/39/57/73/1048395773.db2.gz NQKLGHCJYORPAK-NQIIRXRSSA-N 2 2 322.496 4.433 20 0 DIADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000481572547 1048432407 /nfs/dbraw/zinc/43/24/07/1048432407.db2.gz YRBMZUAHYKQWQO-IBGZPJMESA-N 2 2 317.436 4.385 20 0 DIADLP c1cc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH+]c(C2CC2)c1 ZINC001163321926 1048451384 /nfs/dbraw/zinc/45/13/84/1048451384.db2.gz LTXARKDMUZIKAU-INIZCTEOSA-N 2 2 311.473 4.192 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001202114917 1048453497 /nfs/dbraw/zinc/45/34/97/1048453497.db2.gz IAENEPJGWRPLFZ-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001202114917 1048453500 /nfs/dbraw/zinc/45/35/00/1048453500.db2.gz IAENEPJGWRPLFZ-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1C ZINC001202150472 1048462193 /nfs/dbraw/zinc/46/21/93/1048462193.db2.gz JJUKHPPYBFLYQY-QYZOEREBSA-N 2 2 306.538 4.447 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001202300202 1048516071 /nfs/dbraw/zinc/51/60/71/1048516071.db2.gz VPQOPRSJKGIOGM-NGXITPROSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001202300202 1048516077 /nfs/dbraw/zinc/51/60/77/1048516077.db2.gz VPQOPRSJKGIOGM-NGXITPROSA-N 2 2 312.501 4.232 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2cc(F)ccc2F)CC1 ZINC000481947709 1048536902 /nfs/dbraw/zinc/53/69/02/1048536902.db2.gz NPQAPLONXMMOTJ-SFHVURJKSA-N 2 2 310.432 4.270 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc(C)c1F ZINC000482251627 1048577558 /nfs/dbraw/zinc/57/75/58/1048577558.db2.gz ZGVDJDGDWLXCMJ-MRXNPFEDSA-N 2 2 315.436 4.380 20 0 DIADLP c1cn(-c2ccccc2Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001176195851 1048592516 /nfs/dbraw/zinc/59/25/16/1048592516.db2.gz NVHBUQDZCGKJIA-UHFFFAOYSA-N 2 2 318.424 4.212 20 0 DIADLP CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001176372245 1048665480 /nfs/dbraw/zinc/66/54/80/1048665480.db2.gz DFZNNQXGOYBASA-KRWDZBQOSA-N 2 2 317.864 4.195 20 0 DIADLP CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC001176372245 1048665483 /nfs/dbraw/zinc/66/54/83/1048665483.db2.gz DFZNNQXGOYBASA-KRWDZBQOSA-N 2 2 317.864 4.195 20 0 DIADLP CCC(CC)(C[NH2+]Cc1ccn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000482755152 1048670671 /nfs/dbraw/zinc/67/06/71/1048670671.db2.gz UOJKODYPKAILFB-QGZVFWFLSA-N 2 2 313.489 4.024 20 0 DIADLP CC(C)(C)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001189876908 1048672642 /nfs/dbraw/zinc/67/26/42/1048672642.db2.gz XVDINRJQJFFAAE-UHFFFAOYSA-N 2 2 311.473 4.215 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000775375526 1048721943 /nfs/dbraw/zinc/72/19/43/1048721943.db2.gz KIRUCQFVBBMXIF-QZTJIDSGSA-N 2 2 315.436 4.104 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000483131205 1048742331 /nfs/dbraw/zinc/74/23/31/1048742331.db2.gz ZJIRITHEHUFDJO-CQSZACIVSA-N 2 2 311.454 4.347 20 0 DIADLP Clc1ccccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001203382200 1048745279 /nfs/dbraw/zinc/74/52/79/1048745279.db2.gz SAYQTEDHIROAGY-KRWDZBQOSA-N 2 2 306.881 4.180 20 0 DIADLP Clc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001203382200 1048745291 /nfs/dbraw/zinc/74/52/91/1048745291.db2.gz SAYQTEDHIROAGY-KRWDZBQOSA-N 2 2 306.881 4.180 20 0 DIADLP c1cn(-c2csc(C[NH2+]CC(C3CCC3)C3CCC3)c2)c[nH+]1 ZINC001203235836 1048751368 /nfs/dbraw/zinc/75/13/68/1048751368.db2.gz WBUWREKJYMTAJA-UHFFFAOYSA-N 2 2 315.486 4.240 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C)CCC2 ZINC000483451034 1048797214 /nfs/dbraw/zinc/79/72/14/1048797214.db2.gz NQTJCKAAJLILLW-BBWFWOEESA-N 2 2 303.494 4.263 20 0 DIADLP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000483440536 1048800990 /nfs/dbraw/zinc/80/09/90/1048800990.db2.gz OCDUFMJFXNLPGS-APWZRJJASA-N 2 2 311.473 4.372 20 0 DIADLP C[NH2+]Cc1cccc(Nc2[nH+]cnc3c2ccn3C2CCCC2)c1 ZINC001167033519 1048832970 /nfs/dbraw/zinc/83/29/70/1048832970.db2.gz ORCUXXZOJWTDJO-UHFFFAOYSA-N 2 2 321.428 4.009 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000251857662 1048841663 /nfs/dbraw/zinc/84/16/63/1048841663.db2.gz SKXRZRVWHRHKTP-HFAKWTLXSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000251857662 1048841677 /nfs/dbraw/zinc/84/16/77/1048841677.db2.gz SKXRZRVWHRHKTP-HFAKWTLXSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccco1 ZINC000483732302 1048848891 /nfs/dbraw/zinc/84/88/91/1048848891.db2.gz MFQHDDWFCPFCJE-JJRVBVJISA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccco1 ZINC000483732302 1048848899 /nfs/dbraw/zinc/84/88/99/1048848899.db2.gz MFQHDDWFCPFCJE-JJRVBVJISA-N 2 2 304.459 4.075 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001191202085 1048882628 /nfs/dbraw/zinc/88/26/28/1048882628.db2.gz FDTUQUPBDVMYBI-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001191202085 1048882649 /nfs/dbraw/zinc/88/26/49/1048882649.db2.gz FDTUQUPBDVMYBI-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001177497086 1048902612 /nfs/dbraw/zinc/90/26/12/1048902612.db2.gz XXKFIQWURHSMBD-LBPRGKRZSA-N 2 2 303.456 4.155 20 0 DIADLP CSc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001203470148 1048908202 /nfs/dbraw/zinc/90/82/02/1048908202.db2.gz BOTSLKMLBTWHKM-IBGZPJMESA-N 2 2 323.465 4.136 20 0 DIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000484288182 1048920164 /nfs/dbraw/zinc/92/01/64/1048920164.db2.gz DDIWQUDRCYCBRF-OAHLLOKOSA-N 2 2 309.413 4.289 20 0 DIADLP CC(C)C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccs1 ZINC000484300897 1048922184 /nfs/dbraw/zinc/92/21/84/1048922184.db2.gz LDLRAZQRBNXCRI-HNNXBMFYSA-N 2 2 303.475 4.322 20 0 DIADLP Cc1cc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)c1 ZINC001203741825 1048987187 /nfs/dbraw/zinc/98/71/87/1048987187.db2.gz WFXUJWCDAJRUMI-UHFFFAOYSA-N 2 2 314.517 4.451 20 0 DIADLP Cc1cc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)c1 ZINC001203741825 1048987199 /nfs/dbraw/zinc/98/71/99/1048987199.db2.gz WFXUJWCDAJRUMI-UHFFFAOYSA-N 2 2 314.517 4.451 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000484618724 1048989828 /nfs/dbraw/zinc/98/98/28/1048989828.db2.gz QQGOSSSCYNKWTR-IEBWSBKVSA-N 2 2 318.505 4.136 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000484618724 1048989837 /nfs/dbraw/zinc/98/98/37/1048989837.db2.gz QQGOSSSCYNKWTR-IEBWSBKVSA-N 2 2 318.505 4.136 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC001178249382 1049002381 /nfs/dbraw/zinc/00/23/81/1049002381.db2.gz OHSFCJIFWMJKSR-ZIFCJYIRSA-N 2 2 315.505 4.023 20 0 DIADLP CC[N@H+](Cc1cccc(Oc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001203811225 1049003930 /nfs/dbraw/zinc/00/39/30/1049003930.db2.gz OJDXJDQCZNMELQ-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP CC[N@@H+](Cc1cccc(Oc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001203811225 1049003939 /nfs/dbraw/zinc/00/39/39/1049003939.db2.gz OJDXJDQCZNMELQ-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Oc2ccccc2)c1 ZINC001203814710 1049007007 /nfs/dbraw/zinc/00/70/07/1049007007.db2.gz COZRDFUERGMHIG-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Oc2ccccc2)c1 ZINC001203814710 1049007024 /nfs/dbraw/zinc/00/70/24/1049007024.db2.gz COZRDFUERGMHIG-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP CC(C)(C[NH2+]Cc1cc(Cl)ccc1Cl)C[NH+]1CCCC1 ZINC001178615172 1049067610 /nfs/dbraw/zinc/06/76/10/1049067610.db2.gz SJHOYVDIXOIVKL-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001204138670 1049092646 /nfs/dbraw/zinc/09/26/46/1049092646.db2.gz OLANFYBGPIHBLK-UHFFFAOYSA-N 2 2 320.480 4.412 20 0 DIADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001204138670 1049092661 /nfs/dbraw/zinc/09/26/61/1049092661.db2.gz OLANFYBGPIHBLK-UHFFFAOYSA-N 2 2 320.480 4.412 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCC[C@H](C)C1 ZINC001192793115 1049137377 /nfs/dbraw/zinc/13/73/77/1049137377.db2.gz WRYVGEUGGGNCLY-ILZDJORESA-N 2 2 311.473 4.349 20 0 DIADLP CCC[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001179314677 1049154561 /nfs/dbraw/zinc/15/45/61/1049154561.db2.gz CZLFOXIHBCEJEL-QUCCMNQESA-N 2 2 300.490 4.177 20 0 DIADLP CCC[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001179314677 1049154563 /nfs/dbraw/zinc/15/45/63/1049154563.db2.gz CZLFOXIHBCEJEL-QUCCMNQESA-N 2 2 300.490 4.177 20 0 DIADLP CCc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)o1 ZINC001204395104 1049156205 /nfs/dbraw/zinc/15/62/05/1049156205.db2.gz ZGXYVNAWYIWCPC-UHFFFAOYSA-N 2 2 304.478 4.071 20 0 DIADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)o1 ZINC001204395104 1049156210 /nfs/dbraw/zinc/15/62/10/1049156210.db2.gz ZGXYVNAWYIWCPC-UHFFFAOYSA-N 2 2 304.478 4.071 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC001179603474 1049183822 /nfs/dbraw/zinc/18/38/22/1049183822.db2.gz ZATJRCBQBSAAMP-MUGJNUQGSA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC001179603474 1049183825 /nfs/dbraw/zinc/18/38/25/1049183825.db2.gz ZATJRCBQBSAAMP-MUGJNUQGSA-N 2 2 312.501 4.065 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC001179746967 1049203719 /nfs/dbraw/zinc/20/37/19/1049203719.db2.gz GBHDYCWIALINMI-GWQNQTGSSA-N 2 2 302.506 4.191 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)[nH]1 ZINC001179849557 1049215049 /nfs/dbraw/zinc/21/50/49/1049215049.db2.gz HQAMKOOUVUMTMN-LJQANCHMSA-N 2 2 309.457 4.447 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(C4CCCC4)c3)C2)[nH]1 ZINC001179849557 1049215055 /nfs/dbraw/zinc/21/50/55/1049215055.db2.gz HQAMKOOUVUMTMN-LJQANCHMSA-N 2 2 309.457 4.447 20 0 DIADLP CSc1cc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)cc[nH+]1 ZINC001204691260 1049228328 /nfs/dbraw/zinc/22/83/28/1049228328.db2.gz ZVWFKKGGZXIREK-UHFFFAOYSA-N 2 2 301.459 4.435 20 0 DIADLP Cc1cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001204810714 1049274937 /nfs/dbraw/zinc/27/49/37/1049274937.db2.gz YWPUXZOAKRXKNV-HXUWFJFHSA-N 2 2 312.432 4.033 20 0 DIADLP Cc1cc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001204810714 1049274950 /nfs/dbraw/zinc/27/49/50/1049274950.db2.gz YWPUXZOAKRXKNV-HXUWFJFHSA-N 2 2 312.432 4.033 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)CC[C@@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099257 1049285440 /nfs/dbraw/zinc/28/54/40/1049285440.db2.gz XIKGBECDBUWRAY-DZKIICNBSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099257 1049285452 /nfs/dbraw/zinc/28/54/52/1049285452.db2.gz XIKGBECDBUWRAY-DZKIICNBSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c2ccsc2S1 ZINC001180099257 1049285463 /nfs/dbraw/zinc/28/54/63/1049285463.db2.gz XIKGBECDBUWRAY-DZKIICNBSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)CC[C@@H]2CCCC[N@H+]2C)c2ccsc2S1 ZINC001180099257 1049285474 /nfs/dbraw/zinc/28/54/74/1049285474.db2.gz XIKGBECDBUWRAY-DZKIICNBSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001204946840 1049320430 /nfs/dbraw/zinc/32/04/30/1049320430.db2.gz TWKQAAIEEYGPHH-LJQANCHMSA-N 2 2 310.466 4.368 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001204946840 1049320438 /nfs/dbraw/zinc/32/04/38/1049320438.db2.gz TWKQAAIEEYGPHH-LJQANCHMSA-N 2 2 310.466 4.368 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205280501 1049426936 /nfs/dbraw/zinc/42/69/36/1049426936.db2.gz ATCZVPAYICKERX-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001205280501 1049426944 /nfs/dbraw/zinc/42/69/44/1049426944.db2.gz ATCZVPAYICKERX-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2ccccc2[nH]1 ZINC000775625790 1049455769 /nfs/dbraw/zinc/45/57/69/1049455769.db2.gz DEFODYOUFBELQL-HNNXBMFYSA-N 2 2 308.429 4.106 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001181506267 1049485949 /nfs/dbraw/zinc/48/59/49/1049485949.db2.gz OGQZMISRSHSVCB-ICSRJNTNSA-N 2 2 315.505 4.368 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]C1CC2(C1)CCCC2 ZINC001205517375 1049491154 /nfs/dbraw/zinc/49/11/54/1049491154.db2.gz OBFAQBBKJYYXCH-UHFFFAOYSA-N 2 2 304.522 4.345 20 0 DIADLP C[NH+](CCC[N@@H+](C)C[C@H]1CCCC(C)(C)C1)Cc1ccco1 ZINC001181590625 1049491936 /nfs/dbraw/zinc/49/19/36/1049491936.db2.gz OVYUHNDWDCUBIY-KRWDZBQOSA-N 2 2 306.494 4.250 20 0 DIADLP C[NH+](CCC[N@H+](C)C[C@H]1CCCC(C)(C)C1)Cc1ccco1 ZINC001181590625 1049491941 /nfs/dbraw/zinc/49/19/41/1049491941.db2.gz OVYUHNDWDCUBIY-KRWDZBQOSA-N 2 2 306.494 4.250 20 0 DIADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H]1CCCC(C)(C)C1 ZINC001181590625 1049491949 /nfs/dbraw/zinc/49/19/49/1049491949.db2.gz OVYUHNDWDCUBIY-KRWDZBQOSA-N 2 2 306.494 4.250 20 0 DIADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H]1CCCC(C)(C)C1 ZINC001181590625 1049491956 /nfs/dbraw/zinc/49/19/56/1049491956.db2.gz OVYUHNDWDCUBIY-KRWDZBQOSA-N 2 2 306.494 4.250 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001205650226 1049523217 /nfs/dbraw/zinc/52/32/17/1049523217.db2.gz HRDYQXUTTVNRRW-LJQANCHMSA-N 2 2 316.533 4.237 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001205650226 1049523231 /nfs/dbraw/zinc/52/32/31/1049523231.db2.gz HRDYQXUTTVNRRW-LJQANCHMSA-N 2 2 316.533 4.237 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805667 1049567415 /nfs/dbraw/zinc/56/74/15/1049567415.db2.gz RGTDCRRELSWZLH-KBPBESRZSA-N 2 2 318.848 4.159 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805667 1049567429 /nfs/dbraw/zinc/56/74/29/1049567429.db2.gz RGTDCRRELSWZLH-KBPBESRZSA-N 2 2 318.848 4.159 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[NH+](CC)CC)cc1 ZINC001182109708 1049570835 /nfs/dbraw/zinc/57/08/35/1049570835.db2.gz REQHBSUMUFPARG-MHTWAQMVSA-N 2 2 314.517 4.410 20 0 DIADLP C[C@@H]1C[C@H](c2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2)C[NH2+]1 ZINC000863690157 1049588244 /nfs/dbraw/zinc/58/82/44/1049588244.db2.gz LWPNCIALXCBFCN-IERDGZPVSA-N 2 2 317.436 4.064 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC001205927089 1049604768 /nfs/dbraw/zinc/60/47/68/1049604768.db2.gz USYWMWANBYQHHO-BBWFWOEESA-N 2 2 312.567 4.007 20 0 DIADLP Clc1ccc(Cl)c(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000488201675 1049612294 /nfs/dbraw/zinc/61/22/94/1049612294.db2.gz SXTABJHHTDQQLD-UHFFFAOYSA-N 2 2 324.255 4.139 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3ccc(C)cc31)CCC2 ZINC000339069172 1049662633 /nfs/dbraw/zinc/66/26/33/1049662633.db2.gz WQTODLUEPHOISV-MJGOQNOKSA-N 2 2 309.457 4.045 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001206167581 1049674157 /nfs/dbraw/zinc/67/41/57/1049674157.db2.gz IKQYJELTDVQEIU-ZHALLVOQSA-N 2 2 302.506 4.311 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001206167581 1049674162 /nfs/dbraw/zinc/67/41/62/1049674162.db2.gz IKQYJELTDVQEIU-ZHALLVOQSA-N 2 2 302.506 4.311 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC001196727855 1049682471 /nfs/dbraw/zinc/68/24/71/1049682471.db2.gz MGLVSUOXMWZIFE-UHFFFAOYSA-N 2 2 323.484 4.075 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)s1 ZINC001206256064 1049690851 /nfs/dbraw/zinc/69/08/51/1049690851.db2.gz JJOAKBNONJNNEP-AWEZNQCLSA-N 2 2 323.550 4.241 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)s1 ZINC001206256064 1049690855 /nfs/dbraw/zinc/69/08/55/1049690855.db2.gz JJOAKBNONJNNEP-AWEZNQCLSA-N 2 2 323.550 4.241 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC001196878674 1049695011 /nfs/dbraw/zinc/69/50/11/1049695011.db2.gz OJQQAPSXFFAQMW-POAQFYNOSA-N 2 2 309.457 4.239 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206573164 1049758494 /nfs/dbraw/zinc/75/84/94/1049758494.db2.gz JADFBXCLBNOYSG-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206573164 1049758503 /nfs/dbraw/zinc/75/85/03/1049758503.db2.gz JADFBXCLBNOYSG-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1F ZINC001206591574 1049763437 /nfs/dbraw/zinc/76/34/37/1049763437.db2.gz SZEHMPAJEKXHSM-CQSZACIVSA-N 2 2 312.860 4.140 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1F ZINC001206591574 1049763447 /nfs/dbraw/zinc/76/34/47/1049763447.db2.gz SZEHMPAJEKXHSM-CQSZACIVSA-N 2 2 312.860 4.140 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001206648529 1049776454 /nfs/dbraw/zinc/77/64/54/1049776454.db2.gz ZGRSSQZYOFCTJQ-SJORKVTESA-N 2 2 308.897 4.124 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001206648529 1049776461 /nfs/dbraw/zinc/77/64/61/1049776461.db2.gz ZGRSSQZYOFCTJQ-SJORKVTESA-N 2 2 308.897 4.124 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001206989550 1049816528 /nfs/dbraw/zinc/81/65/28/1049816528.db2.gz CNWNDXGATVTAKI-NJAFHUGGSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001206989550 1049816535 /nfs/dbraw/zinc/81/65/35/1049816535.db2.gz CNWNDXGATVTAKI-NJAFHUGGSA-N 2 2 306.881 4.050 20 0 DIADLP Cc1occc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423105 1049828130 /nfs/dbraw/zinc/82/81/30/1049828130.db2.gz NDXWEGYDDKBITA-JXFKEZNVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423105 1049828143 /nfs/dbraw/zinc/82/81/43/1049828143.db2.gz NDXWEGYDDKBITA-JXFKEZNVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423105 1049828148 /nfs/dbraw/zinc/82/81/48/1049828148.db2.gz NDXWEGYDDKBITA-JXFKEZNVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000490423105 1049828159 /nfs/dbraw/zinc/82/81/59/1049828159.db2.gz NDXWEGYDDKBITA-JXFKEZNVSA-N 2 2 312.457 4.073 20 0 DIADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001208219452 1049987944 /nfs/dbraw/zinc/98/79/44/1049987944.db2.gz PKPGDDZAUBDXKN-QGZVFWFLSA-N 2 2 321.509 4.142 20 0 DIADLP C[C@@H](CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1)CC(C)(C)C ZINC001208656366 1049999475 /nfs/dbraw/zinc/99/94/75/1049999475.db2.gz VNVJEZDTLSYLSB-INIZCTEOSA-N 2 2 304.478 4.387 20 0 DIADLP c1ccc(CCCCC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001209228101 1050045722 /nfs/dbraw/zinc/04/57/22/1050045722.db2.gz UTHOXRFLMIQIBQ-UHFFFAOYSA-N 2 2 324.468 4.338 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001209821602 1050089272 /nfs/dbraw/zinc/08/92/72/1050089272.db2.gz KEYQAUVYMIBEMW-UHFFFAOYSA-N 2 2 324.472 4.267 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001209822118 1050089322 /nfs/dbraw/zinc/08/93/22/1050089322.db2.gz SFHXWCFJQGWDMX-UHFFFAOYSA-N 2 2 324.472 4.267 20 0 DIADLP C[NH+](C)[C@@H]1CCOc2c(Nc3cccc4cc[nH+]cc43)cccc21 ZINC001210233337 1050171888 /nfs/dbraw/zinc/17/18/88/1050171888.db2.gz VQVZZCFKQFATSB-LJQANCHMSA-N 2 2 319.408 4.364 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)s1 ZINC000573886735 1050261621 /nfs/dbraw/zinc/26/16/21/1050261621.db2.gz DFAMDXIRWROSBZ-DZGCQCFKSA-N 2 2 323.465 4.346 20 0 DIADLP CCC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccsc1 ZINC000785563599 1050392712 /nfs/dbraw/zinc/39/27/12/1050392712.db2.gz OCHBXPRIZIGFBV-HZPDHXFCSA-N 2 2 305.491 4.490 20 0 DIADLP Cc1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cccc1C(F)(F)F ZINC001143930021 1050403449 /nfs/dbraw/zinc/40/34/49/1050403449.db2.gz IDQMPEFYYBBNLZ-UHFFFAOYSA-N 2 2 323.362 4.047 20 0 DIADLP CCCC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC000716253656 1050468877 /nfs/dbraw/zinc/46/88/77/1050468877.db2.gz NMFCIWYRHFWOID-UHFFFAOYSA-N 2 2 300.490 4.067 20 0 DIADLP CC(C)(C)C1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC000716268902 1050503032 /nfs/dbraw/zinc/50/30/32/1050503032.db2.gz HYJFKYQZLYEOAU-UHFFFAOYSA-N 2 2 314.517 4.313 20 0 DIADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000594750623 1050555048 /nfs/dbraw/zinc/55/50/48/1050555048.db2.gz YPUVCNGZAZMBNZ-INIZCTEOSA-N 2 2 306.453 4.219 20 0 DIADLP CC(C)[NH2+][C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000594750623 1050555066 /nfs/dbraw/zinc/55/50/66/1050555066.db2.gz YPUVCNGZAZMBNZ-INIZCTEOSA-N 2 2 306.453 4.219 20 0 DIADLP Cc1[nH]c2ccc(-n3cc(C[C@H](C)[NH3+])c4ccc(C)cc43)cc2[nH+]1 ZINC001171169253 1050555655 /nfs/dbraw/zinc/55/56/55/1050555655.db2.gz OTKSWKOGENXUAD-ZDUSSCGKSA-N 2 2 318.424 4.013 20 0 DIADLP c1ccc(C[NH+]2CC(C[NH2+]C3CCC4(CCCC4)CC3)C2)cc1 ZINC000716287165 1050563490 /nfs/dbraw/zinc/56/34/90/1050563490.db2.gz AKRXWGVCMXCMLH-UHFFFAOYSA-N 2 2 312.501 4.211 20 0 DIADLP CC(C)CCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170071146 1050581348 /nfs/dbraw/zinc/58/13/48/1050581348.db2.gz KHBFYLZIULJKPX-BZSNNMDCSA-N 2 2 303.494 4.373 20 0 DIADLP CC(C)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000761121485 1050646863 /nfs/dbraw/zinc/64/68/63/1050646863.db2.gz HEDDRFUDRGVNIX-UHFFFAOYSA-N 2 2 309.457 4.282 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392565 1050829298 /nfs/dbraw/zinc/82/92/98/1050829298.db2.gz QVFMFJAGIZQYIC-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP CCc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000742393197 1050831030 /nfs/dbraw/zinc/83/10/30/1050831030.db2.gz WIVHWMLYWMOSBC-AWEZNQCLSA-N 2 2 311.454 4.347 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000037156361 1051113456 /nfs/dbraw/zinc/11/34/56/1051113456.db2.gz PMZHLGBIFMGJLX-CJNGLKHVSA-N 2 2 305.853 4.302 20 0 DIADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001170267030 1051169684 /nfs/dbraw/zinc/16/96/84/1051169684.db2.gz SSPHWCDBWWOBQI-INIZCTEOSA-N 2 2 320.908 4.221 20 0 DIADLP COc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(Cl)c1 ZINC001171624108 1051179679 /nfs/dbraw/zinc/17/96/79/1051179679.db2.gz MYSDMGWCXKQIJE-UHFFFAOYSA-N 2 2 324.896 4.090 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccccc2Cl)CC1 ZINC001170284441 1051181430 /nfs/dbraw/zinc/18/14/30/1051181430.db2.gz NKSHHVFRHHZXCB-OAHLLOKOSA-N 2 2 308.897 4.077 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(Nc2cccc3[nH+]ccn32)c1 ZINC001215723656 1051322663 /nfs/dbraw/zinc/32/26/63/1051322663.db2.gz QBKFKBUIBYVZEM-UHFFFAOYSA-N 2 2 312.392 4.059 20 0 DIADLP C[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC001172365974 1051376013 /nfs/dbraw/zinc/37/60/13/1051376013.db2.gz MIHAMNIXVIFJJF-OPYAIIAOSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC001172365974 1051376023 /nfs/dbraw/zinc/37/60/23/1051376023.db2.gz MIHAMNIXVIFJJF-OPYAIIAOSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC001172365969 1051376827 /nfs/dbraw/zinc/37/68/27/1051376827.db2.gz MIHAMNIXVIFJJF-DBXWQHBBSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC001172365969 1051376832 /nfs/dbraw/zinc/37/68/32/1051376832.db2.gz MIHAMNIXVIFJJF-DBXWQHBBSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552113 1051435103 /nfs/dbraw/zinc/43/51/03/1051435103.db2.gz DBEQHHZQPNRPJS-MISYRCLQSA-N 2 2 300.490 4.033 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccnc3ccccc23)C2CCCC2)CC1 ZINC001204091614 1051458867 /nfs/dbraw/zinc/45/88/67/1051458867.db2.gz YQDZQNMSGFZBJR-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccnc3ccccc23)C2CCCC2)CC1 ZINC001204091614 1051458874 /nfs/dbraw/zinc/45/88/74/1051458874.db2.gz YQDZQNMSGFZBJR-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@H+](C2CCCC2)C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172660506 1051474684 /nfs/dbraw/zinc/47/46/84/1051474684.db2.gz KEXLGLKPBISLDV-UHFFFAOYSA-N 2 2 322.537 4.061 20 0 DIADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172660506 1051474696 /nfs/dbraw/zinc/47/46/96/1051474696.db2.gz KEXLGLKPBISLDV-UHFFFAOYSA-N 2 2 322.537 4.061 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078748 1051513997 /nfs/dbraw/zinc/51/39/97/1051513997.db2.gz FWAUUHZJKQJTTQ-ZRJCITRHSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078748 1051514010 /nfs/dbraw/zinc/51/40/10/1051514010.db2.gz FWAUUHZJKQJTTQ-ZRJCITRHSA-N 2 2 313.272 4.269 20 0 DIADLP CC1(C)C[C@@H](Nc2cc3cc(F)ccc3c[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169141008 1051530343 /nfs/dbraw/zinc/53/03/43/1051530343.db2.gz IKTNHJSFTWSSCF-APWZRJJASA-N 2 2 315.436 4.330 20 0 DIADLP CC1(C)C[C@H](Nc2cc3cc(F)ccc3c[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169141012 1051533052 /nfs/dbraw/zinc/53/30/52/1051533052.db2.gz IKTNHJSFTWSSCF-QFBILLFUSA-N 2 2 315.436 4.330 20 0 DIADLP Cc1ccc2c(Nc3cccc(C[NH+](C)C)c3F)cccc2[nH+]1 ZINC001216231516 1051639821 /nfs/dbraw/zinc/63/98/21/1051639821.db2.gz CHEMJOLFMLRVAB-UHFFFAOYSA-N 2 2 309.388 4.488 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001173205509 1051643391 /nfs/dbraw/zinc/64/33/91/1051643391.db2.gz PLFJFIRBDYNQNA-KRWDZBQOSA-N 2 2 319.452 4.168 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173206773 1051645205 /nfs/dbraw/zinc/64/52/05/1051645205.db2.gz WXSDJRIVONIFPL-NQIIRXRSSA-N 2 2 322.496 4.281 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173206773 1051645209 /nfs/dbraw/zinc/64/52/09/1051645209.db2.gz WXSDJRIVONIFPL-NQIIRXRSSA-N 2 2 322.496 4.281 20 0 DIADLP CCc1ccc(C[C@@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)cc1 ZINC001173247416 1051653576 /nfs/dbraw/zinc/65/35/76/1051653576.db2.gz BSKAYYYVMNXVEF-MRXNPFEDSA-N 2 2 319.452 4.375 20 0 DIADLP CNc1cc(Nc2ccc(Oc3cc[nH+]c(C)c3)cc2)cc[nH+]1 ZINC001216337096 1051706706 /nfs/dbraw/zinc/70/67/06/1051706706.db2.gz LPYTTYACFJLTKQ-UHFFFAOYSA-N 2 2 306.369 4.363 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CCSCC1)c1ccccc1 ZINC000187204766 1051837818 /nfs/dbraw/zinc/83/78/18/1051837818.db2.gz CEPROCBVCYJQJB-HOTGVXAUSA-N 2 2 320.546 4.237 20 0 DIADLP CCCc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000187117944 1051839547 /nfs/dbraw/zinc/83/95/47/1051839547.db2.gz XXBARQBPRNDSAQ-UHFFFAOYSA-N 2 2 319.452 4.174 20 0 DIADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000404709112 1051886159 /nfs/dbraw/zinc/88/61/59/1051886159.db2.gz ZDYXHCTXIPQVMA-MRXNPFEDSA-N 2 2 305.853 4.049 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494410911 1051889154 /nfs/dbraw/zinc/88/91/54/1051889154.db2.gz LYXCWJBAKZBNBT-HNNXBMFYSA-N 2 2 323.440 4.077 20 0 DIADLP CCc1cccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189897871 1051930268 /nfs/dbraw/zinc/93/02/68/1051930268.db2.gz NCIGKBGJLFOLQA-INIZCTEOSA-N 2 2 305.425 4.286 20 0 DIADLP CC1CC[NH+]([C@H](C[NH2+]C2CC(C(F)F)C2)c2ccccc2)CC1 ZINC000768690044 1051958228 /nfs/dbraw/zinc/95/82/28/1051958228.db2.gz SQWIQWVOYWZCQQ-DAWZGUTISA-N 2 2 322.443 4.093 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CCCC2)CC1 ZINC001170547591 1051991967 /nfs/dbraw/zinc/99/19/67/1051991967.db2.gz AKTQYDGTTIKYCA-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP Cc1cc(Cl)ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000769218578 1052008517 /nfs/dbraw/zinc/00/85/17/1052008517.db2.gz UXJIYNHDERCTNU-UHFFFAOYSA-N 2 2 315.848 4.120 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000769408266 1052041094 /nfs/dbraw/zinc/04/10/94/1052041094.db2.gz FUNJKKHIJZCISK-INIZCTEOSA-N 2 2 315.505 4.208 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3cccc(C[NH+](C)C)c3)ccc21 ZINC001174381573 1052140388 /nfs/dbraw/zinc/14/03/88/1052140388.db2.gz NOPGHEKKTSEDPI-UHFFFAOYSA-N 2 2 308.429 4.422 20 0 DIADLP CSc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000315756095 1052350462 /nfs/dbraw/zinc/35/04/62/1052350462.db2.gz ILGWCTJTKCVXES-WMLDXEAASA-N 2 2 317.502 4.371 20 0 DIADLP CC1(C)CCC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000316348351 1052366817 /nfs/dbraw/zinc/36/68/17/1052366817.db2.gz YZFJMOZIEVWJIJ-OALUTQOASA-N 2 2 300.490 4.382 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)c[nH+]1 ZINC000236597228 1052427311 /nfs/dbraw/zinc/42/73/11/1052427311.db2.gz ULZOVAOQFHMKEQ-KRWDZBQOSA-N 2 2 309.438 4.101 20 0 DIADLP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277170 1052472378 /nfs/dbraw/zinc/47/23/78/1052472378.db2.gz KWVYMTUCHCGKAJ-QGZVFWFLSA-N 2 2 324.921 4.028 20 0 DIADLP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277170 1052472383 /nfs/dbraw/zinc/47/23/83/1052472383.db2.gz KWVYMTUCHCGKAJ-QGZVFWFLSA-N 2 2 324.921 4.028 20 0 DIADLP CC(C)(C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222277378 1052472519 /nfs/dbraw/zinc/47/25/19/1052472519.db2.gz MTWWLYZSSXGGPD-QGZVFWFLSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)(C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222277378 1052472526 /nfs/dbraw/zinc/47/25/26/1052472526.db2.gz MTWWLYZSSXGGPD-QGZVFWFLSA-N 2 2 324.921 4.039 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)cc1 ZINC000393391058 1052481668 /nfs/dbraw/zinc/48/16/68/1052481668.db2.gz CFAVITVRYUMNNI-NJDAHSKKSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)cc1 ZINC000393391058 1052481673 /nfs/dbraw/zinc/48/16/73/1052481673.db2.gz CFAVITVRYUMNNI-NJDAHSKKSA-N 2 2 324.443 4.132 20 0 DIADLP c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346319 1052487526 /nfs/dbraw/zinc/48/75/26/1052487526.db2.gz QAFSVAFPVOBQNV-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2ccccc2)sc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346319 1052487529 /nfs/dbraw/zinc/48/75/29/1052487529.db2.gz QAFSVAFPVOBQNV-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP Fc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347050 1052488806 /nfs/dbraw/zinc/48/88/06/1052488806.db2.gz UQFTXEQZOIBZHU-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347050 1052488811 /nfs/dbraw/zinc/48/88/11/1052488811.db2.gz UQFTXEQZOIBZHU-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP C[N@H+](C/C=C/c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000026992405 1052499439 /nfs/dbraw/zinc/49/94/39/1052499439.db2.gz YRTVIZSNPPJZLP-MDWZMJQESA-N 2 2 320.480 4.296 20 0 DIADLP C[N@@H+](C/C=C/c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000026992405 1052499442 /nfs/dbraw/zinc/49/94/42/1052499442.db2.gz YRTVIZSNPPJZLP-MDWZMJQESA-N 2 2 320.480 4.296 20 0 DIADLP c1cc(-c2cccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)cs1 ZINC001222426859 1052499536 /nfs/dbraw/zinc/49/95/36/1052499536.db2.gz IWRJRFYDYNGLNH-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)cs1 ZINC001222426859 1052499542 /nfs/dbraw/zinc/49/95/42/1052499542.db2.gz IWRJRFYDYNGLNH-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222435868 1052500286 /nfs/dbraw/zinc/50/02/86/1052500286.db2.gz UETJTCWAJPVUDO-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222435868 1052500287 /nfs/dbraw/zinc/50/02/87/1052500287.db2.gz UETJTCWAJPVUDO-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222477458 1052504264 /nfs/dbraw/zinc/50/42/64/1052504264.db2.gz MHGNNRWIOYEBJT-JOCHJYFZSA-N 2 2 320.480 4.298 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222477458 1052504273 /nfs/dbraw/zinc/50/42/73/1052504273.db2.gz MHGNNRWIOYEBJT-JOCHJYFZSA-N 2 2 320.480 4.298 20 0 DIADLP C[C@@H](Cc1cccc(F)c1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001168502668 1052513475 /nfs/dbraw/zinc/51/34/75/1052513475.db2.gz YHYGXOBVIFNRPF-INIZCTEOSA-N 2 2 318.480 4.096 20 0 DIADLP C[C@@H](Cc1cccc(F)c1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001168502668 1052513479 /nfs/dbraw/zinc/51/34/79/1052513479.db2.gz YHYGXOBVIFNRPF-INIZCTEOSA-N 2 2 318.480 4.096 20 0 DIADLP Cc1cc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc(C)[nH+]1 ZINC001223422436 1052598595 /nfs/dbraw/zinc/59/85/95/1052598595.db2.gz PFHHRDUCYIQWAP-IIBYNOLFSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc(C)[nH+]1 ZINC001223422436 1052598602 /nfs/dbraw/zinc/59/86/02/1052598602.db2.gz PFHHRDUCYIQWAP-IIBYNOLFSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc(C)[nH+]1 ZINC001223422437 1052599437 /nfs/dbraw/zinc/59/94/37/1052599437.db2.gz PFHHRDUCYIQWAP-KKSFZXQISA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc(C)[nH+]1 ZINC001223422437 1052599445 /nfs/dbraw/zinc/59/94/45/1052599445.db2.gz PFHHRDUCYIQWAP-KKSFZXQISA-N 2 2 324.468 4.126 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000763394829 1052624319 /nfs/dbraw/zinc/62/43/19/1052624319.db2.gz FESCVRJOYPIPHY-IBGZPJMESA-N 2 2 323.827 4.303 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001168518382 1052645356 /nfs/dbraw/zinc/64/53/56/1052645356.db2.gz CNOZZVZKRGUUNU-OAQYLSRUSA-N 2 2 317.436 4.422 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)Cn1cc[nH+]c1 ZINC000498352716 1052820159 /nfs/dbraw/zinc/82/01/59/1052820159.db2.gz ITVJYWYPHHRYNK-MISYRCLQSA-N 2 2 311.473 4.225 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347476158 1052852441 /nfs/dbraw/zinc/85/24/41/1052852441.db2.gz HYTXOUKPYPJKJR-LRDDRELGSA-N 2 2 305.372 4.019 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347476158 1052852446 /nfs/dbraw/zinc/85/24/46/1052852446.db2.gz HYTXOUKPYPJKJR-LRDDRELGSA-N 2 2 305.372 4.019 20 0 DIADLP C[N@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220111 1052882349 /nfs/dbraw/zinc/88/23/49/1052882349.db2.gz YIULKQZYFPXJFJ-STQMWFEESA-N 2 2 321.679 4.349 20 0 DIADLP C[N@@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220111 1052882356 /nfs/dbraw/zinc/88/23/56/1052882356.db2.gz YIULKQZYFPXJFJ-STQMWFEESA-N 2 2 321.679 4.349 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001227264634 1052977940 /nfs/dbraw/zinc/97/79/40/1052977940.db2.gz PDWWWBGUDCSLKH-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001227264634 1052977947 /nfs/dbraw/zinc/97/79/47/1052977947.db2.gz PDWWWBGUDCSLKH-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP CCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181391563 1053201876 /nfs/dbraw/zinc/20/18/76/1053201876.db2.gz ORHHYWUGJXEMJM-KRWDZBQOSA-N 2 2 313.489 4.081 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251349131 1053231491 /nfs/dbraw/zinc/23/14/91/1053231491.db2.gz GCISYZWDPIZRRF-TUAOUCFPSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251349131 1053231502 /nfs/dbraw/zinc/23/15/02/1053231502.db2.gz GCISYZWDPIZRRF-TUAOUCFPSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000252104602 1053255630 /nfs/dbraw/zinc/25/56/30/1053255630.db2.gz GUYFRONBWHFLRJ-IRXDYDNUSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000252104602 1053255639 /nfs/dbraw/zinc/25/56/39/1053255639.db2.gz GUYFRONBWHFLRJ-IRXDYDNUSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000252104602 1053255649 /nfs/dbraw/zinc/25/56/49/1053255649.db2.gz GUYFRONBWHFLRJ-IRXDYDNUSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000252104602 1053255655 /nfs/dbraw/zinc/25/56/55/1053255655.db2.gz GUYFRONBWHFLRJ-IRXDYDNUSA-N 2 2 320.908 4.426 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC000091283975 1053257492 /nfs/dbraw/zinc/25/74/92/1053257492.db2.gz SZBVECXJIBKNJH-OAQYLSRUSA-N 2 2 317.436 4.172 20 0 DIADLP CCCCC[C@H](CC)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319942159 1053287252 /nfs/dbraw/zinc/28/72/52/1053287252.db2.gz FZLWJNKTEWKABD-HNNXBMFYSA-N 2 2 314.433 4.121 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318165 1053384916 /nfs/dbraw/zinc/38/49/16/1053384916.db2.gz WGEUNFZGGVBYEK-AEFFLSMTSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000093318165 1053384933 /nfs/dbraw/zinc/38/49/33/1053384933.db2.gz WGEUNFZGGVBYEK-AEFFLSMTSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318165 1053384947 /nfs/dbraw/zinc/38/49/47/1053384947.db2.gz WGEUNFZGGVBYEK-AEFFLSMTSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318165 1053384965 /nfs/dbraw/zinc/38/49/65/1053384965.db2.gz WGEUNFZGGVBYEK-AEFFLSMTSA-N 2 2 314.498 4.233 20 0 DIADLP c1cn(-c2ccc(C[NH2+]Cc3cc4c(s3)CCCC4)cc2)c[nH+]1 ZINC001200223071 1053481253 /nfs/dbraw/zinc/48/12/53/1053481253.db2.gz BIEKVIGDQKFKFI-UHFFFAOYSA-N 2 2 323.465 4.102 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000261906555 1053541053 /nfs/dbraw/zinc/54/10/53/1053541053.db2.gz PMQDTKQVJBYQAY-XZJROXQQSA-N 2 2 318.367 4.083 20 0 DIADLP C[NH+](C)CC[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC001231080422 1053669667 /nfs/dbraw/zinc/66/96/67/1053669667.db2.gz CVQKUSWYVBJRGP-IBGZPJMESA-N 2 2 321.424 4.149 20 0 DIADLP CCCc1[nH+]ccn1Cc1cccc(Cn2cc[nH+]c2CCC)c1 ZINC000153536146 1053697224 /nfs/dbraw/zinc/69/72/24/1053697224.db2.gz FQRQCVCWTRVKPC-UHFFFAOYSA-N 2 2 322.456 4.081 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)c(F)c1 ZINC001325744919 1053726718 /nfs/dbraw/zinc/72/67/18/1053726718.db2.gz WTULCTSCTUYLPW-LZVXQISVSA-N 2 2 304.796 4.275 20 0 DIADLP FC(F)c1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001325949146 1053742931 /nfs/dbraw/zinc/74/29/31/1053742931.db2.gz YWPYYVOSBRRQAQ-UHFFFAOYSA-N 2 2 319.380 4.161 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268701166 1053766303 /nfs/dbraw/zinc/76/63/03/1053766303.db2.gz FRBZBODSHNCXKW-QRWLVFNGSA-N 2 2 303.409 4.210 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268701169 1053766689 /nfs/dbraw/zinc/76/66/89/1053766689.db2.gz FRBZBODSHNCXKW-YWZLYKJASA-N 2 2 303.409 4.210 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)c1 ZINC001231511644 1053774564 /nfs/dbraw/zinc/77/45/64/1053774564.db2.gz STAJKLHLHUTMSH-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)c1 ZINC001231511644 1053774576 /nfs/dbraw/zinc/77/45/76/1053774576.db2.gz STAJKLHLHUTMSH-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000620879589 1053776254 /nfs/dbraw/zinc/77/62/54/1053776254.db2.gz YNUJSEMTLDIOTA-UHFFFAOYSA-N 2 2 319.452 4.212 20 0 DIADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001200589571 1053794833 /nfs/dbraw/zinc/79/48/33/1053794833.db2.gz DBQPDHKEIDHAKG-BDTNDASRSA-N 2 2 320.480 4.044 20 0 DIADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001200589571 1053794845 /nfs/dbraw/zinc/79/48/45/1053794845.db2.gz DBQPDHKEIDHAKG-BDTNDASRSA-N 2 2 320.480 4.044 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001231780572 1053858421 /nfs/dbraw/zinc/85/84/21/1053858421.db2.gz VQWLKSWVCZUCOW-UHFFFAOYSA-N 2 2 324.468 4.468 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001231878086 1053901918 /nfs/dbraw/zinc/90/19/18/1053901918.db2.gz FAMLNHQQBWPRJY-GOSISDBHSA-N 2 2 310.441 4.167 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001231878086 1053901928 /nfs/dbraw/zinc/90/19/28/1053901928.db2.gz FAMLNHQQBWPRJY-GOSISDBHSA-N 2 2 310.441 4.167 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cs2)CC1 ZINC001232282928 1054013012 /nfs/dbraw/zinc/01/30/12/1054013012.db2.gz FRZBIMKTRKWVHJ-UHFFFAOYSA-N 2 2 300.899 4.098 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cs2)CC1 ZINC001232282928 1054013025 /nfs/dbraw/zinc/01/30/25/1054013025.db2.gz FRZBIMKTRKWVHJ-UHFFFAOYSA-N 2 2 300.899 4.098 20 0 DIADLP CCCCC[C@@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001329698269 1054005071 /nfs/dbraw/zinc/00/50/71/1054005071.db2.gz MTVLTXGHSCSPEW-CQSZACIVSA-N 2 2 314.433 4.121 20 0 DIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000159216903 1054016939 /nfs/dbraw/zinc/01/69/39/1054016939.db2.gz FPFPLOATFQXQAJ-UHFFFAOYSA-N 2 2 312.244 4.020 20 0 DIADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000159216903 1054016954 /nfs/dbraw/zinc/01/69/54/1054016954.db2.gz FPFPLOATFQXQAJ-UHFFFAOYSA-N 2 2 312.244 4.020 20 0 DIADLP Fc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000324286949 1054059025 /nfs/dbraw/zinc/05/90/25/1054059025.db2.gz AGMAMJRGJHHYSG-FQEVSTJZSA-N 2 2 323.415 4.182 20 0 DIADLP COc1ccc2cc([C@H](C)[NH2+]CCCCn3cc[nH+]c3)ccc2c1 ZINC000324443762 1054062362 /nfs/dbraw/zinc/06/23/62/1054062362.db2.gz DWMMUZLRENRGAV-INIZCTEOSA-N 2 2 323.440 4.176 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000165010356 1054066573 /nfs/dbraw/zinc/06/65/73/1054066573.db2.gz NCFHAHKTISBUFU-MPGHIAIKSA-N 2 2 318.486 4.383 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000165010356 1054066581 /nfs/dbraw/zinc/06/65/81/1054066581.db2.gz NCFHAHKTISBUFU-MPGHIAIKSA-N 2 2 318.486 4.383 20 0 DIADLP CC[C@@H](CC(F)F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000660243986 1054225325 /nfs/dbraw/zinc/22/53/25/1054225325.db2.gz CBXZIOYEQYKANB-HNNXBMFYSA-N 2 2 313.436 4.057 20 0 DIADLP Cc1cc(N2CCC(CCC[NH+](C)C)CC2)[nH+]c2ccccc12 ZINC001336620628 1054240132 /nfs/dbraw/zinc/24/01/32/1054240132.db2.gz UTZMVVJJSFPNBH-UHFFFAOYSA-N 2 2 311.473 4.101 20 0 DIADLP CCC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234066207 1054428074 /nfs/dbraw/zinc/42/80/74/1054428074.db2.gz IZZHSBOBWVQXGZ-KRWDZBQOSA-N 2 2 313.445 4.036 20 0 DIADLP CCC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234066207 1054428087 /nfs/dbraw/zinc/42/80/87/1054428087.db2.gz IZZHSBOBWVQXGZ-KRWDZBQOSA-N 2 2 313.445 4.036 20 0 DIADLP CC(C)C(C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C(C)C ZINC000671307112 1054548782 /nfs/dbraw/zinc/54/87/82/1054548782.db2.gz PDSIWAWUDJJBLA-LJQANCHMSA-N 2 2 313.489 4.222 20 0 DIADLP C[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000670270542 1054591700 /nfs/dbraw/zinc/59/17/00/1054591700.db2.gz QRDGSESAUMQWDE-GRTSSRMGSA-N 2 2 320.443 4.064 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C(c2cccs2)c2cccs2)CC1(C)C ZINC000623426292 1054592707 /nfs/dbraw/zinc/59/27/07/1054592707.db2.gz IEJQRECBVPJNSN-CYBMUJFWSA-N 2 2 320.527 4.361 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C(c2cccs2)c2cccs2)CC1(C)C ZINC000623426292 1054592722 /nfs/dbraw/zinc/59/27/22/1054592722.db2.gz IEJQRECBVPJNSN-CYBMUJFWSA-N 2 2 320.527 4.361 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000177582963 1054623918 /nfs/dbraw/zinc/62/39/18/1054623918.db2.gz IQRNEHOTHQNFHN-DNVCBOLYSA-N 2 2 316.489 4.290 20 0 DIADLP C(=C/c1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001235108517 1054659535 /nfs/dbraw/zinc/65/95/35/1054659535.db2.gz ALNITMYTOZAXLI-DORXLWPQSA-N 2 2 318.464 4.185 20 0 DIADLP C(=C/c1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001235108517 1054659543 /nfs/dbraw/zinc/65/95/43/1054659543.db2.gz ALNITMYTOZAXLI-DORXLWPQSA-N 2 2 318.464 4.185 20 0 DIADLP c1ccc(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001235123474 1054662194 /nfs/dbraw/zinc/66/21/94/1054662194.db2.gz JZFIJBZXYLQMDD-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001235123474 1054662204 /nfs/dbraw/zinc/66/22/04/1054662204.db2.gz JZFIJBZXYLQMDD-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235122425 1054662831 /nfs/dbraw/zinc/66/28/31/1054662831.db2.gz UKFWZDOLLUOXQH-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccccc2C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235122425 1054662836 /nfs/dbraw/zinc/66/28/36/1054662836.db2.gz UKFWZDOLLUOXQH-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP C[N@H+](Cc1cc(-c2ccsc2)cs1)C1CC[NH+](C)CC1 ZINC001235176770 1054675336 /nfs/dbraw/zinc/67/53/36/1054675336.db2.gz NORNPMVFSLRPSB-UHFFFAOYSA-N 2 2 306.500 4.003 20 0 DIADLP C[N@@H+](Cc1cc(-c2ccsc2)cs1)C1CC[NH+](C)CC1 ZINC001235176770 1054675343 /nfs/dbraw/zinc/67/53/43/1054675343.db2.gz NORNPMVFSLRPSB-UHFFFAOYSA-N 2 2 306.500 4.003 20 0 DIADLP c1cc(-c2csc(C[NH+]3CCC([NH+]4CCC4)CC3)c2)cs1 ZINC001235194095 1054681817 /nfs/dbraw/zinc/68/18/17/1054681817.db2.gz QWQKORYKCZHAOY-UHFFFAOYSA-N 2 2 318.511 4.147 20 0 DIADLP Cc1c2ccccc2oc1[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000179671612 1054695195 /nfs/dbraw/zinc/69/51/95/1054695195.db2.gz HLWRYRQUEYJDPF-GOSISDBHSA-N 2 2 311.429 4.315 20 0 DIADLP Cc1cc(Cl)cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001235536132 1054740409 /nfs/dbraw/zinc/74/04/09/1054740409.db2.gz AHZWGVLNYBDULX-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1cc(Cl)cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001235536132 1054740424 /nfs/dbraw/zinc/74/04/24/1054740424.db2.gz AHZWGVLNYBDULX-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001235725621 1054788092 /nfs/dbraw/zinc/78/80/92/1054788092.db2.gz KMEKMEWDDNKHLC-UHFFFAOYSA-N 2 2 318.848 4.174 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001235723975 1054788933 /nfs/dbraw/zinc/78/89/33/1054788933.db2.gz FZDXTSXBANLBCZ-UHFFFAOYSA-N 2 2 310.441 4.053 20 0 DIADLP CCCCCCOc1ccccc1C[NH+]1CCC([NH2+]CC)CC1 ZINC001235723993 1054789265 /nfs/dbraw/zinc/78/92/65/1054789265.db2.gz GCCMTMPASKNFHZ-UHFFFAOYSA-N 2 2 318.505 4.220 20 0 DIADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C)sc1C ZINC000623870445 1054804564 /nfs/dbraw/zinc/80/45/64/1054804564.db2.gz ZTMFPCCHTJKZTN-QGZVFWFLSA-N 2 2 305.491 4.473 20 0 DIADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)sc1C ZINC000623985867 1054840348 /nfs/dbraw/zinc/84/03/48/1054840348.db2.gz FLFLVRVAZWJMRG-UKRRQHHQSA-N 2 2 303.475 4.076 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235904535 1054842933 /nfs/dbraw/zinc/84/29/33/1054842933.db2.gz KJCCBOWCTYMLNY-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235904535 1054842942 /nfs/dbraw/zinc/84/29/42/1054842942.db2.gz KJCCBOWCTYMLNY-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)(C)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001235927349 1054851494 /nfs/dbraw/zinc/85/14/94/1054851494.db2.gz HNTDYBRIBARDBF-LJQANCHMSA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)(C)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001235927349 1054851502 /nfs/dbraw/zinc/85/15/02/1054851502.db2.gz HNTDYBRIBARDBF-LJQANCHMSA-N 2 2 324.468 4.064 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)C1 ZINC001235966511 1054877401 /nfs/dbraw/zinc/87/74/01/1054877401.db2.gz MEBXISSQUQDPKG-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)C1 ZINC001235966511 1054877408 /nfs/dbraw/zinc/87/74/08/1054877408.db2.gz MEBXISSQUQDPKG-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP CC[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236004536 1054892494 /nfs/dbraw/zinc/89/24/94/1054892494.db2.gz DUEIRVYCKRPDKT-OAHLLOKOSA-N 2 2 313.489 4.039 20 0 DIADLP CC[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236004536 1054892514 /nfs/dbraw/zinc/89/25/14/1054892514.db2.gz DUEIRVYCKRPDKT-OAHLLOKOSA-N 2 2 313.489 4.039 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060341 1054922367 /nfs/dbraw/zinc/92/23/67/1054922367.db2.gz DBFNEPNAEKRYER-HOCLYGCPSA-N 2 2 322.477 4.238 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060341 1054922378 /nfs/dbraw/zinc/92/23/78/1054922378.db2.gz DBFNEPNAEKRYER-HOCLYGCPSA-N 2 2 322.477 4.238 20 0 DIADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000181909154 1054947186 /nfs/dbraw/zinc/94/71/86/1054947186.db2.gz IARULMFAPCWEBC-MRXNPFEDSA-N 2 2 309.816 4.053 20 0 DIADLP Fc1cccc(C2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000182212217 1054970377 /nfs/dbraw/zinc/97/03/77/1054970377.db2.gz SDZNIXPECKNIGV-UHFFFAOYSA-N 2 2 324.443 4.069 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214169 1055001647 /nfs/dbraw/zinc/00/16/47/1055001647.db2.gz CNKAYCKCYQANRO-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214169 1055001662 /nfs/dbraw/zinc/00/16/62/1055001662.db2.gz CNKAYCKCYQANRO-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217353 1055006329 /nfs/dbraw/zinc/00/63/29/1055006329.db2.gz OIVHMAKZVCHDSD-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217353 1055006342 /nfs/dbraw/zinc/00/63/42/1055006342.db2.gz OIVHMAKZVCHDSD-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218334 1055006858 /nfs/dbraw/zinc/00/68/58/1055006858.db2.gz SCDSGKHMGJSACD-HZPDHXFCSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218334 1055006866 /nfs/dbraw/zinc/00/68/66/1055006866.db2.gz SCDSGKHMGJSACD-HZPDHXFCSA-N 2 2 306.500 4.178 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219608 1055007769 /nfs/dbraw/zinc/00/77/69/1055007769.db2.gz WWGWLUZMHLTJKK-CABCVRRESA-N 2 2 301.261 4.004 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219608 1055007788 /nfs/dbraw/zinc/00/77/88/1055007788.db2.gz WWGWLUZMHLTJKK-CABCVRRESA-N 2 2 301.261 4.004 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218665 1055008002 /nfs/dbraw/zinc/00/80/02/1055008002.db2.gz STPZPFXNNJXLLM-PMACEKPBSA-N 2 2 324.468 4.064 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218665 1055008013 /nfs/dbraw/zinc/00/80/13/1055008013.db2.gz STPZPFXNNJXLLM-PMACEKPBSA-N 2 2 324.468 4.064 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218837 1055008319 /nfs/dbraw/zinc/00/83/19/1055008319.db2.gz UENLLELASONRMA-IAGOWNOFSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218837 1055008331 /nfs/dbraw/zinc/00/83/31/1055008331.db2.gz UENLLELASONRMA-IAGOWNOFSA-N 2 2 318.848 4.302 20 0 DIADLP c1cn(CCC[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c[nH+]1 ZINC000182800919 1055010768 /nfs/dbraw/zinc/01/07/68/1055010768.db2.gz GROYNXDDXDEPSW-NRFANRHFSA-N 2 2 317.436 4.073 20 0 DIADLP c1cn(CCC[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c[nH+]1 ZINC000182800919 1055010783 /nfs/dbraw/zinc/01/07/83/1055010783.db2.gz GROYNXDDXDEPSW-NRFANRHFSA-N 2 2 317.436 4.073 20 0 DIADLP Fc1cc(-c2cc3[nH]ccc3c[nH+]2)ccc1C[NH+]1CCCCC1 ZINC001236233145 1055023615 /nfs/dbraw/zinc/02/36/15/1055023615.db2.gz LKRVNQUNGJTUNY-UHFFFAOYSA-N 2 2 309.388 4.355 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236239483 1055026933 /nfs/dbraw/zinc/02/69/33/1055026933.db2.gz HIUBBKFTWWXWMK-HXUWFJFHSA-N 2 2 320.480 4.378 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236239483 1055026947 /nfs/dbraw/zinc/02/69/47/1055026947.db2.gz HIUBBKFTWWXWMK-HXUWFJFHSA-N 2 2 320.480 4.378 20 0 DIADLP c1ccc(-c2cccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2)cc1 ZINC001236242866 1055027089 /nfs/dbraw/zinc/02/70/89/1055027089.db2.gz ZSGKUHUYZVNVMC-NRFANRHFSA-N 2 2 306.453 4.070 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2)cc1 ZINC001236242866 1055027098 /nfs/dbraw/zinc/02/70/98/1055027098.db2.gz ZSGKUHUYZVNVMC-NRFANRHFSA-N 2 2 306.453 4.070 20 0 DIADLP c1cn(CCC[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)c[nH+]1 ZINC000183166448 1055034129 /nfs/dbraw/zinc/03/41/29/1055034129.db2.gz LALKQWXYURLGJW-HXUWFJFHSA-N 2 2 305.425 4.264 20 0 DIADLP c1cn(CCC[N@H+]2CCC[C@@H]2c2cccc3ccccc32)c[nH+]1 ZINC000183166448 1055034143 /nfs/dbraw/zinc/03/41/43/1055034143.db2.gz LALKQWXYURLGJW-HXUWFJFHSA-N 2 2 305.425 4.264 20 0 DIADLP c1coc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc2)c1 ZINC000183547813 1055048966 /nfs/dbraw/zinc/04/89/66/1055048966.db2.gz SOWNAYDTGNVJAJ-FQEVSTJZSA-N 2 2 321.424 4.246 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2ccc3[nH+]ccn3c2C)c1 ZINC001236339913 1055067391 /nfs/dbraw/zinc/06/73/91/1055067391.db2.gz NYOCWVXJLGQEMI-UHFFFAOYSA-N 2 2 311.404 4.291 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001236429621 1055110944 /nfs/dbraw/zinc/11/09/44/1055110944.db2.gz MJGMIUNLNSHUOC-UHFFFAOYSA-N 2 2 323.484 4.485 20 0 DIADLP CC(C)=CCC[C@H](C)C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236438258 1055113011 /nfs/dbraw/zinc/11/30/11/1055113011.db2.gz UQJWYGZDMBSIGI-AZUAARDMSA-N 2 2 315.505 4.018 20 0 DIADLP CC(C)=CCC[C@H](C)C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236438258 1055113026 /nfs/dbraw/zinc/11/30/26/1055113026.db2.gz UQJWYGZDMBSIGI-AZUAARDMSA-N 2 2 315.505 4.018 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001236551475 1055179985 /nfs/dbraw/zinc/17/99/85/1055179985.db2.gz GSCZJFICCWZXOG-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(C)c(Cl)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001236551475 1055179988 /nfs/dbraw/zinc/17/99/88/1055179988.db2.gz GSCZJFICCWZXOG-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Clc1ccc(Cl)c(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236632860 1055208605 /nfs/dbraw/zinc/20/86/05/1055208605.db2.gz BLAJSRGFXNLLAQ-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP Clc1ccc(Cl)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236632860 1055208612 /nfs/dbraw/zinc/20/86/12/1055208612.db2.gz BLAJSRGFXNLLAQ-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP Fc1ccc2occ(C[N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)c2c1 ZINC001236654622 1055215979 /nfs/dbraw/zinc/21/59/79/1055215979.db2.gz QLPNNCBKVONIBV-KRWDZBQOSA-N 2 2 316.420 4.069 20 0 DIADLP Fc1ccc2occ(C[N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)c2c1 ZINC001236654622 1055215988 /nfs/dbraw/zinc/21/59/88/1055215988.db2.gz QLPNNCBKVONIBV-KRWDZBQOSA-N 2 2 316.420 4.069 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc3sccc32)C1 ZINC001236682820 1055228348 /nfs/dbraw/zinc/22/83/48/1055228348.db2.gz NJIIOPMEJGWZHT-INIZCTEOSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc3sccc32)C1 ZINC001236682820 1055228363 /nfs/dbraw/zinc/22/83/63/1055228363.db2.gz NJIIOPMEJGWZHT-INIZCTEOSA-N 2 2 324.449 4.258 20 0 DIADLP Cc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1Cl ZINC001236854092 1055291145 /nfs/dbraw/zinc/29/11/45/1055291145.db2.gz DPYRRRPNEVHYHP-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1Cl ZINC001236854092 1055291159 /nfs/dbraw/zinc/29/11/59/1055291159.db2.gz DPYRRRPNEVHYHP-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907002 1055309802 /nfs/dbraw/zinc/30/98/02/1055309802.db2.gz YWRFJZSPEDOWNW-AWEZNQCLSA-N 2 2 303.837 4.290 20 0 DIADLP C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907002 1055309821 /nfs/dbraw/zinc/30/98/21/1055309821.db2.gz YWRFJZSPEDOWNW-AWEZNQCLSA-N 2 2 303.837 4.290 20 0 DIADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])cc(C)c1-c1ccc(F)cc1F ZINC001236908919 1055311232 /nfs/dbraw/zinc/31/12/32/1055311232.db2.gz NKDUFLYFFKIATA-AWEZNQCLSA-N 2 2 318.411 4.028 20 0 DIADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])cc(C)c1-c1ccc(F)cc1F ZINC001236908919 1055311238 /nfs/dbraw/zinc/31/12/38/1055311238.db2.gz NKDUFLYFFKIATA-AWEZNQCLSA-N 2 2 318.411 4.028 20 0 DIADLP CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236912439 1055313661 /nfs/dbraw/zinc/31/36/61/1055313661.db2.gz TXZBRSGLTWXTKN-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236912439 1055313675 /nfs/dbraw/zinc/31/36/75/1055313675.db2.gz TXZBRSGLTWXTKN-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913836 1055313723 /nfs/dbraw/zinc/31/37/23/1055313723.db2.gz PJSFRVYDALASKH-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913836 1055313742 /nfs/dbraw/zinc/31/37/42/1055313742.db2.gz PJSFRVYDALASKH-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC12CCCC2 ZINC001236916076 1055314638 /nfs/dbraw/zinc/31/46/38/1055314638.db2.gz JCISQDXLSLTDSU-UHFFFAOYSA-N 2 2 301.821 4.044 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC12CCCC2 ZINC001236916076 1055314654 /nfs/dbraw/zinc/31/46/54/1055314654.db2.gz JCISQDXLSLTDSU-UHFFFAOYSA-N 2 2 301.821 4.044 20 0 DIADLP CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917132 1055315863 /nfs/dbraw/zinc/31/58/63/1055315863.db2.gz RIAAPLHPPLJZFK-HNNXBMFYSA-N 2 2 303.837 4.290 20 0 DIADLP CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917132 1055315881 /nfs/dbraw/zinc/31/58/81/1055315881.db2.gz RIAAPLHPPLJZFK-HNNXBMFYSA-N 2 2 303.837 4.290 20 0 DIADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H]1C ZINC001236914038 1055316019 /nfs/dbraw/zinc/31/60/19/1055316019.db2.gz LFGWCUYMLHUMLV-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H]1C ZINC001236914038 1055316036 /nfs/dbraw/zinc/31/60/36/1055316036.db2.gz LFGWCUYMLHUMLV-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916794 1055316973 /nfs/dbraw/zinc/31/69/73/1055316973.db2.gz AJABGKOGGVHJIA-KRWDZBQOSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916794 1055316992 /nfs/dbraw/zinc/31/69/92/1055316992.db2.gz AJABGKOGGVHJIA-KRWDZBQOSA-N 2 2 303.837 4.146 20 0 DIADLP Clc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1-n1cc[nH+]c1 ZINC001236915209 1055317374 /nfs/dbraw/zinc/31/73/74/1055317374.db2.gz ZUORYNANALYXMU-RDJZCZTQSA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1-n1cc[nH+]c1 ZINC001236915209 1055317389 /nfs/dbraw/zinc/31/73/89/1055317389.db2.gz ZUORYNANALYXMU-RDJZCZTQSA-N 2 2 315.848 4.290 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2ccccc2n1 ZINC000765253608 1055343908 /nfs/dbraw/zinc/34/39/08/1055343908.db2.gz GWRWWYXPPJAORT-KXBFYZLASA-N 2 2 322.456 4.197 20 0 DIADLP CCOc1cccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000765249402 1055345807 /nfs/dbraw/zinc/34/58/07/1055345807.db2.gz IEXBYOSVMIMVLP-QAPCUYQASA-N 2 2 315.461 4.047 20 0 DIADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000765358624 1055369392 /nfs/dbraw/zinc/36/93/92/1055369392.db2.gz JSEAYMYAGSZYOA-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000765361895 1055371470 /nfs/dbraw/zinc/37/14/70/1055371470.db2.gz ZSZJVSRXUFOBJX-JKSUJKDBSA-N 2 2 323.415 4.466 20 0 DIADLP c1sc2ccccc2c1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154108 1055388814 /nfs/dbraw/zinc/38/88/14/1055388814.db2.gz JHEYPGJAWFJGDL-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP c1sc2ccccc2c1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154108 1055388842 /nfs/dbraw/zinc/38/88/42/1055388842.db2.gz JHEYPGJAWFJGDL-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP Cc1c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc(F)c1F ZINC001237165332 1055391830 /nfs/dbraw/zinc/39/18/30/1055391830.db2.gz IVUDURGTWMSYSG-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc(F)c1F ZINC001237165332 1055391844 /nfs/dbraw/zinc/39/18/44/1055391844.db2.gz IVUDURGTWMSYSG-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP CCCc1ccc(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237310597 1055424020 /nfs/dbraw/zinc/42/40/20/1055424020.db2.gz KAHJHCHCAMMAQV-UHFFFAOYSA-N 2 2 320.480 4.234 20 0 DIADLP CCCc1ccc(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237310597 1055424028 /nfs/dbraw/zinc/42/40/28/1055424028.db2.gz KAHJHCHCAMMAQV-UHFFFAOYSA-N 2 2 320.480 4.234 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001237356521 1055436924 /nfs/dbraw/zinc/43/69/24/1055436924.db2.gz YXFLPWYKUKLUAS-UHFFFAOYSA-N 2 2 320.908 4.407 20 0 DIADLP c1c2ccccc2oc1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237365239 1055442401 /nfs/dbraw/zinc/44/24/01/1055442401.db2.gz DSSQAWAZCMOUTO-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP CCCc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237363256 1055442531 /nfs/dbraw/zinc/44/25/31/1055442531.db2.gz HURHFSNIVNMVSD-UHFFFAOYSA-N 2 2 320.480 4.234 20 0 DIADLP CC(C)c1ccccc1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237364246 1055442577 /nfs/dbraw/zinc/44/25/77/1055442577.db2.gz UWKLWAMZPOUELN-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP CC(C)c1[nH+]c(CNc2ccc([NH+](C)C)cc2)c2ccccn21 ZINC001620852809 1055481339 /nfs/dbraw/zinc/48/13/39/1055481339.db2.gz ORWIRWGIJAGENF-UHFFFAOYSA-N 2 2 308.429 4.136 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CC2CCCCC2)c(C)c1 ZINC001620871831 1055499548 /nfs/dbraw/zinc/49/95/48/1055499548.db2.gz SUXSKQSLYFDYKT-FQEVSTJZSA-N 2 2 311.473 4.411 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890307 1055515681 /nfs/dbraw/zinc/51/56/81/1055515681.db2.gz HRWKELLBFQLLQI-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP CSc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)o1 ZINC001620908222 1055533874 /nfs/dbraw/zinc/53/38/74/1055533874.db2.gz UZPVCKVEQYLTNH-UHFFFAOYSA-N 2 2 310.507 4.136 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000387201236 1055550104 /nfs/dbraw/zinc/55/01/04/1055550104.db2.gz DKMVNAZPLNTLCI-RDBSUJKOSA-N 2 2 317.399 4.009 20 0 DIADLP CCc1ccc([C@@H](C[NH2+]CC2(C)CCC2)[NH+](CC)CC)cc1 ZINC001620954476 1055574457 /nfs/dbraw/zinc/57/44/57/1055574457.db2.gz VXJXOQBCOITWKP-LJQANCHMSA-N 2 2 302.506 4.412 20 0 DIADLP Fc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112968 1055610303 /nfs/dbraw/zinc/61/03/03/1055610303.db2.gz GOMZJPSMBOYWGB-IBGZPJMESA-N 2 2 309.388 4.201 20 0 DIADLP Fc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112968 1055610313 /nfs/dbraw/zinc/61/03/13/1055610313.db2.gz GOMZJPSMBOYWGB-IBGZPJMESA-N 2 2 309.388 4.201 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001238566357 1055689541 /nfs/dbraw/zinc/68/95/41/1055689541.db2.gz LIXFEAKFSVTORF-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001238566357 1055689546 /nfs/dbraw/zinc/68/95/46/1055689546.db2.gz LIXFEAKFSVTORF-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP CSc1ccc(Cl)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001238675856 1055717643 /nfs/dbraw/zinc/71/76/43/1055717643.db2.gz FUGNMVQXLYYWFT-UHFFFAOYSA-N 2 2 321.877 4.096 20 0 DIADLP CSc1cc(C)cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001238691347 1055724158 /nfs/dbraw/zinc/72/41/58/1055724158.db2.gz VGZJPDJCQPBOEP-UHFFFAOYSA-N 2 2 318.530 4.167 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4ccccc43)c2)C1 ZINC001239471469 1055897156 /nfs/dbraw/zinc/89/71/56/1055897156.db2.gz LJQKUEYALHRESA-IBGZPJMESA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4ccccc43)c2)C1 ZINC001239471469 1055897165 /nfs/dbraw/zinc/89/71/65/1055897165.db2.gz LJQKUEYALHRESA-IBGZPJMESA-N 2 2 302.421 4.040 20 0 DIADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC001620995046 1055965535 /nfs/dbraw/zinc/96/55/35/1055965535.db2.gz UKCUUPNSUJVHBV-UHFFFAOYSA-N 2 2 303.277 4.061 20 0 DIADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC001620995046 1055965548 /nfs/dbraw/zinc/96/55/48/1055965548.db2.gz UKCUUPNSUJVHBV-UHFFFAOYSA-N 2 2 303.277 4.061 20 0 DIADLP CC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001620759926 1055931320 /nfs/dbraw/zinc/93/13/20/1055931320.db2.gz NOFRWWGHPBEIKA-OAHLLOKOSA-N 2 2 311.454 4.217 20 0 DIADLP Cc1c(Cl)cccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001620768782 1055939111 /nfs/dbraw/zinc/93/91/11/1055939111.db2.gz WMEHWZTZLCYVJH-UHFFFAOYSA-N 2 2 303.837 4.025 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001649084204 1055941085 /nfs/dbraw/zinc/94/10/85/1055941085.db2.gz MDZDQMRCTGEYKU-UHFFFAOYSA-N 2 2 317.864 4.334 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC001621121494 1055961784 /nfs/dbraw/zinc/96/17/84/1055961784.db2.gz HJQBOYOFQFXOTK-WMLDXEAASA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC001621121494 1055961775 /nfs/dbraw/zinc/96/17/75/1055961775.db2.gz HJQBOYOFQFXOTK-WMLDXEAASA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001621121494 1055961791 /nfs/dbraw/zinc/96/17/91/1055961791.db2.gz HJQBOYOFQFXOTK-WMLDXEAASA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001621121494 1055961801 /nfs/dbraw/zinc/96/18/01/1055961801.db2.gz HJQBOYOFQFXOTK-WMLDXEAASA-N 2 2 324.896 4.043 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC001620704624 1055982543 /nfs/dbraw/zinc/98/25/43/1055982543.db2.gz VUCQGMDQEHLEDG-UHFFFAOYSA-N 2 2 316.420 4.048 20 0 DIADLP Cc1ccc([C@H](CNc2cc(C)[nH+]c(C3CCC3)n2)[NH+](C)C)cc1 ZINC001611882626 1056202811 /nfs/dbraw/zinc/20/28/11/1056202811.db2.gz LJZCEZKKZAWREO-SFHVURJKSA-N 2 2 324.472 4.076 20 0 DIADLP CC(C)C[C@@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)[NH+](C)C ZINC000474487363 1056317999 /nfs/dbraw/zinc/31/79/99/1056317999.db2.gz JXDJNDCFVHVYKM-LMPOIIKSSA-N 2 2 322.459 4.310 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716541 1056343710 /nfs/dbraw/zinc/34/37/10/1056343710.db2.gz VGLXSRFEUFOZKM-WLYUNCDWSA-N 2 2 308.432 4.065 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716541 1056343694 /nfs/dbraw/zinc/34/36/94/1056343694.db2.gz VGLXSRFEUFOZKM-WLYUNCDWSA-N 2 2 308.432 4.065 20 0 DIADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240217162 1056376399 /nfs/dbraw/zinc/37/63/99/1056376399.db2.gz FGILRIXKNBJSEY-IBGZPJMESA-N 2 2 320.440 4.333 20 0 DIADLP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240217162 1056376412 /nfs/dbraw/zinc/37/64/12/1056376412.db2.gz FGILRIXKNBJSEY-IBGZPJMESA-N 2 2 320.440 4.333 20 0 DIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000303606954 1056392562 /nfs/dbraw/zinc/39/25/62/1056392562.db2.gz BENVXDLEPBEDND-UHFFFAOYSA-N 2 2 318.436 4.072 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000186471626 1056480955 /nfs/dbraw/zinc/48/09/55/1056480955.db2.gz FLNRIFOIMVJKJE-INIZCTEOSA-N 2 2 315.505 4.208 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC001615563671 1056536611 /nfs/dbraw/zinc/53/66/11/1056536611.db2.gz WWILQMITHBFLEL-FUHIMQAGSA-N 2 2 309.457 4.334 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC001615563671 1056536627 /nfs/dbraw/zinc/53/66/27/1056536627.db2.gz WWILQMITHBFLEL-FUHIMQAGSA-N 2 2 309.457 4.334 20 0 DIADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240503613 1056540831 /nfs/dbraw/zinc/54/08/31/1056540831.db2.gz OZGDEAMZYLMRNE-LJQANCHMSA-N 2 2 320.440 4.333 20 0 DIADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240503613 1056540842 /nfs/dbraw/zinc/54/08/42/1056540842.db2.gz OZGDEAMZYLMRNE-LJQANCHMSA-N 2 2 320.440 4.333 20 0 DIADLP CC(C)(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC001617162206 1056785079 /nfs/dbraw/zinc/78/50/79/1056785079.db2.gz ROFORDGDPFKYOE-UHFFFAOYSA-N 2 2 303.494 4.202 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001617883751 1056896160 /nfs/dbraw/zinc/89/61/60/1056896160.db2.gz VTDSJDNZWXZADN-QRVBRYPASA-N 2 2 320.908 4.440 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001617883751 1056896169 /nfs/dbraw/zinc/89/61/69/1056896169.db2.gz VTDSJDNZWXZADN-QRVBRYPASA-N 2 2 320.908 4.440 20 0 DIADLP Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(C[NH+]2CCCCC2)c1 ZINC001241251805 1056980449 /nfs/dbraw/zinc/98/04/49/1056980449.db2.gz KUAFWFNXYMICJA-UHFFFAOYSA-N 2 2 323.484 4.417 20 0 DIADLP CCCCOc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241295090 1057001818 /nfs/dbraw/zinc/00/18/18/1057001818.db2.gz YLSURYXDFMBMCB-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241295090 1057001822 /nfs/dbraw/zinc/00/18/22/1057001822.db2.gz YLSURYXDFMBMCB-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP CC[NH+](CC)Cc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001241579309 1057096672 /nfs/dbraw/zinc/09/66/72/1057096672.db2.gz VMVOEMBPROBJRN-UHFFFAOYSA-N 2 2 309.457 4.191 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC3(C2)CCCCCC3)s1 ZINC000347871127 1057174682 /nfs/dbraw/zinc/17/46/82/1057174682.db2.gz GJYHLVYNXNBLGO-UHFFFAOYSA-N 2 2 321.534 4.141 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC3(C2)CCCCCC3)s1 ZINC000347871127 1057174685 /nfs/dbraw/zinc/17/46/85/1057174685.db2.gz GJYHLVYNXNBLGO-UHFFFAOYSA-N 2 2 321.534 4.141 20 0 DIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCCC1 ZINC000674049200 1057191129 /nfs/dbraw/zinc/19/11/29/1057191129.db2.gz KMAYEWQGWKBWQK-VQIMIIECSA-N 2 2 311.473 4.262 20 0 DIADLP CC1(C)C=C(c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)CC(C)(C)C1 ZINC001241892932 1057202905 /nfs/dbraw/zinc/20/29/05/1057202905.db2.gz FOLPQQZRBNGVMG-UHFFFAOYSA-N 2 2 309.457 4.251 20 0 DIADLP Cc1cc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cc(C)[nH+]1 ZINC001241993671 1057233830 /nfs/dbraw/zinc/23/38/30/1057233830.db2.gz MTDGVHYCLDKUFY-WOJBJXKFSA-N 2 2 310.441 4.152 20 0 DIADLP COc1ccc(-c2cc(C)[nH+]c(C)c2)cc1C[NH+]1CCCCC1 ZINC001241995914 1057233963 /nfs/dbraw/zinc/23/39/63/1057233963.db2.gz LNWIASHCWHAHDJ-UHFFFAOYSA-N 2 2 310.441 4.360 20 0 DIADLP Cc1cc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])cc(C)[nH+]1 ZINC001241996710 1057234570 /nfs/dbraw/zinc/23/45/70/1057234570.db2.gz ZGFZQTQSKOMRPQ-PMACEKPBSA-N 2 2 310.441 4.152 20 0 DIADLP Cn1c[nH+]cc1-c1cccc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001242123228 1057270359 /nfs/dbraw/zinc/27/03/59/1057270359.db2.gz XYLGUDWMKGHZKI-UHFFFAOYSA-N 2 2 317.436 4.350 20 0 DIADLP Cn1c[nH+]cc1-c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001242123249 1057270683 /nfs/dbraw/zinc/27/06/83/1057270683.db2.gz YHIIPUSUTVWVKW-UHFFFAOYSA-N 2 2 317.436 4.350 20 0 DIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1F ZINC000675918261 1057430874 /nfs/dbraw/zinc/43/08/74/1057430874.db2.gz FXGYAVIMTYFIDD-KXBFYZLASA-N 2 2 323.415 4.194 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918214 1057431002 /nfs/dbraw/zinc/43/10/02/1057431002.db2.gz FHNREIGHXUELOD-PMACEKPBSA-N 2 2 319.452 4.445 20 0 DIADLP c1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC001242691929 1057448350 /nfs/dbraw/zinc/44/83/50/1057448350.db2.gz QGPFZWDVTVPXMZ-IBGZPJMESA-N 2 2 311.473 4.104 20 0 DIADLP Cn1c[nH+]cc1-c1cccc(C2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001242694401 1057450326 /nfs/dbraw/zinc/45/03/26/1057450326.db2.gz PNMNACJOVFPQPO-IBGZPJMESA-N 2 2 307.441 4.119 20 0 DIADLP Cc1ccc2ccccc2c1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242984723 1057536018 /nfs/dbraw/zinc/53/60/18/1057536018.db2.gz ITSBJHQVSCVXTP-HXUWFJFHSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc2ccccc2c1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242984723 1057536020 /nfs/dbraw/zinc/53/60/20/1057536020.db2.gz ITSBJHQVSCVXTP-HXUWFJFHSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000168204724 1057689203 /nfs/dbraw/zinc/68/92/03/1057689203.db2.gz HBNXZPHWELXAFY-STQMWFEESA-N 2 2 324.428 4.197 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000731451076 1057744032 /nfs/dbraw/zinc/74/40/32/1057744032.db2.gz ITXCZBUEPFQFFZ-QRWLVFNGSA-N 2 2 303.409 4.210 20 0 DIADLP c1cn(Cc2ccc(-c3ccccc3C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001243657595 1057746334 /nfs/dbraw/zinc/74/63/34/1057746334.db2.gz NLQIEHVOCNTLDS-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP c1cn(Cc2ccc(-c3ccccc3C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001243662415 1057748651 /nfs/dbraw/zinc/74/86/51/1057748651.db2.gz OSHXKNQPBNPYLS-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244275639 1057920934 /nfs/dbraw/zinc/92/09/34/1057920934.db2.gz ATPPZXHFPWHSMB-FQEVSTJZSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244275639 1057920936 /nfs/dbraw/zinc/92/09/36/1057920936.db2.gz ATPPZXHFPWHSMB-FQEVSTJZSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244276788 1057921914 /nfs/dbraw/zinc/92/19/14/1057921914.db2.gz SLKGKLHZHQXCLK-HXUWFJFHSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244276788 1057921916 /nfs/dbraw/zinc/92/19/16/1057921916.db2.gz SLKGKLHZHQXCLK-HXUWFJFHSA-N 2 2 306.453 4.072 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C4CCC4)cc3)c2)C1 ZINC001244944462 1058077575 /nfs/dbraw/zinc/07/75/75/1058077575.db2.gz OWNNTHMBVQVBSN-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C4CCC4)cc3)c2)C1 ZINC001244944462 1058077578 /nfs/dbraw/zinc/07/75/78/1058077578.db2.gz OWNNTHMBVQVBSN-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001245197347 1058126302 /nfs/dbraw/zinc/12/63/02/1058126302.db2.gz QTOQIXVGKQKAQM-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(C)c1Cl ZINC001245826591 1058521598 /nfs/dbraw/zinc/52/15/98/1058521598.db2.gz MRNVKZLNTSHVTC-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(C)c1Cl ZINC001245826591 1058521617 /nfs/dbraw/zinc/52/16/17/1058521617.db2.gz MRNVKZLNTSHVTC-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246073846 1058664299 /nfs/dbraw/zinc/66/42/99/1058664299.db2.gz AIFWJZSOYZUPIJ-SJKOYZFVSA-N 2 2 323.267 4.214 20 0 DIADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246116507 1058684339 /nfs/dbraw/zinc/68/43/39/1058684339.db2.gz MXJKEXBXNXKUSO-RBOXIYTFSA-N 2 2 315.288 4.421 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246143370 1058696004 /nfs/dbraw/zinc/69/60/04/1058696004.db2.gz QOCKRCQGYOAWGI-BDTNDASRSA-N 2 2 322.496 4.481 20 0 DIADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246162506 1058705338 /nfs/dbraw/zinc/70/53/38/1058705338.db2.gz ZMKWMBFFWDKVQS-FUHWJXTLSA-N 2 2 318.823 4.062 20 0 DIADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246162510 1058705747 /nfs/dbraw/zinc/70/57/47/1058705747.db2.gz ZMKWMBFFWDKVQS-WMZOPIPTSA-N 2 2 318.823 4.062 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2c(F)ccc(C)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246161547 1058707179 /nfs/dbraw/zinc/70/71/79/1058707179.db2.gz ZWIAHEYDRYGKLO-STQMWFEESA-N 2 2 312.860 4.186 20 0 DIADLP Fc1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246163954 1058709458 /nfs/dbraw/zinc/70/94/58/1058709458.db2.gz RIMDRJCULRJILO-RDJZCZTQSA-N 2 2 318.823 4.062 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246175082 1058720277 /nfs/dbraw/zinc/72/02/77/1058720277.db2.gz XWOOVRRJQZVLGU-HUUCEWRRSA-N 2 2 315.288 4.394 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246179140 1058724381 /nfs/dbraw/zinc/72/43/81/1058724381.db2.gz DBBGXVYUZUUWSD-GJZGRUSLSA-N 2 2 315.288 4.394 20 0 DIADLP CC[C@@H]1CC([NH2+][C@@H](c2ccccc2)c2ccncc2)C[C@@H](CC)[NH2+]1 ZINC001246179699 1058724923 /nfs/dbraw/zinc/72/49/23/1058724923.db2.gz RHYQMVDEFRIPIN-SBHAEUEKSA-N 2 2 323.484 4.070 20 0 DIADLP CC[C@@H]1CC([NH2+]C2(c3ccccc3Cl)CC2)C[C@@H](CC)[NH2+]1 ZINC001246208588 1058745498 /nfs/dbraw/zinc/74/54/98/1058745498.db2.gz BVQVLHAGWNRWRS-ZIAGYGMSSA-N 2 2 306.881 4.228 20 0 DIADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1Cl ZINC001246230896 1058754057 /nfs/dbraw/zinc/75/40/57/1058754057.db2.gz APZGVASJTDDQIK-NVXWUHKLSA-N 2 2 318.823 4.062 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)C[C@H](C)[NH2+]1 ZINC001246253395 1058771185 /nfs/dbraw/zinc/77/11/85/1058771185.db2.gz LMMRXCGQKVZPGH-PTEHBNRSSA-N 2 2 313.272 4.101 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C(C)(C)C1)c1c(Cl)cccc1Cl ZINC001246254370 1058773795 /nfs/dbraw/zinc/77/37/95/1058773795.db2.gz QBTZQZAFTVOMMA-GHMZBOCLSA-N 2 2 301.261 4.175 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c1c(Cl)cccc1Cl ZINC001246255231 1058774966 /nfs/dbraw/zinc/77/49/66/1058774966.db2.gz UNZMIEOVUDHCQI-USZNOCQGSA-N 2 2 301.261 4.173 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001246262944 1058781037 /nfs/dbraw/zinc/78/10/37/1058781037.db2.gz JLVSYNGSGANULD-PKOBYXMFSA-N 2 2 314.860 4.231 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@@H](CC)[NH2+]1 ZINC001246268341 1058783036 /nfs/dbraw/zinc/78/30/36/1058783036.db2.gz PRJRUHCCRFIHGD-VXGBXAGGSA-N 2 2 316.823 4.017 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001246279570 1058793698 /nfs/dbraw/zinc/79/36/98/1058793698.db2.gz MXCBHBHIAYFNSJ-SJCJKPOMSA-N 2 2 323.267 4.214 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1c(F)cccc1Cl ZINC001246293208 1058805230 /nfs/dbraw/zinc/80/52/30/1058805230.db2.gz AYQISVRCTHSCSK-SLEUVZQESA-N 2 2 312.860 4.296 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1c(F)cccc1Cl ZINC001246293232 1058805639 /nfs/dbraw/zinc/80/56/39/1058805639.db2.gz AYQISVRCTHSCSK-ZOWXZIJZSA-N 2 2 312.860 4.296 20 0 DIADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC[NH2+]1 ZINC001246347448 1058858233 /nfs/dbraw/zinc/85/82/33/1058858233.db2.gz PPMGEGJRQKXPKU-RYUDHWBXSA-N 2 2 321.679 4.267 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C[C@H](C)[NH2+]1 ZINC001246351016 1058862400 /nfs/dbraw/zinc/86/24/00/1058862400.db2.gz TZSDRDGVFBZQPV-BZBKMWRSSA-N 2 2 321.679 4.265 20 0 DIADLP COc1ccccc1C(C)(C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246360781 1058867820 /nfs/dbraw/zinc/86/78/20/1058867820.db2.gz IATDAOVMWQIZSW-HKUYNNGSSA-N 2 2 324.468 4.013 20 0 DIADLP COc1ccccc1C(C)(C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246360785 1058867886 /nfs/dbraw/zinc/86/78/86/1058867886.db2.gz IATDAOVMWQIZSW-MJGOQNOKSA-N 2 2 324.468 4.013 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cc(F)ccc1F ZINC001246395178 1058899147 /nfs/dbraw/zinc/89/91/47/1058899147.db2.gz KZLWVBCQPBWSGA-DZGCQCFKSA-N 2 2 308.416 4.070 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2Cl)C2CC2)CC[NH2+]1 ZINC001246459239 1058943376 /nfs/dbraw/zinc/94/33/76/1058943376.db2.gz RNYBPJFQLUPLKC-VYDXJSESSA-N 2 2 321.896 4.087 20 0 DIADLP Cc1nc(NCC2([NH+]3CCCCC3)CCCCC2)c(C)c(C)[nH+]1 ZINC001559049655 1058946882 /nfs/dbraw/zinc/94/68/82/1058946882.db2.gz OTEOCYZJCDFGEX-UHFFFAOYSA-N 2 2 316.493 4.003 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(F)c1Cl ZINC001246492525 1058970314 /nfs/dbraw/zinc/97/03/14/1058970314.db2.gz VYGWZFARHFKLFC-JMSVASOKSA-N 2 2 312.860 4.296 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCCC3(CCCCC3)C2)c1 ZINC001246512444 1058979853 /nfs/dbraw/zinc/97/98/53/1058979853.db2.gz TZSJFULMISZWOD-MJGOQNOKSA-N 2 2 316.489 4.178 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246621483 1059033920 /nfs/dbraw/zinc/03/39/20/1059033920.db2.gz LQPBAYUVLKIKLS-RHSMWYFYSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246621483 1059033942 /nfs/dbraw/zinc/03/39/42/1059033942.db2.gz LQPBAYUVLKIKLS-RHSMWYFYSA-N 2 2 324.921 4.039 20 0 DIADLP C1CCC2(CC1)CCC([N@@H+]1CCCCC13CC[NH2+]CC3)CC2 ZINC001246648209 1059049702 /nfs/dbraw/zinc/04/97/02/1059049702.db2.gz PEMSJNVBXRTCSD-UHFFFAOYSA-N 2 2 304.522 4.488 20 0 DIADLP C1CCC2(CC1)CCC([N@H+]1CCCCC13CC[NH2+]CC3)CC2 ZINC001246648209 1059049724 /nfs/dbraw/zinc/04/97/24/1059049724.db2.gz PEMSJNVBXRTCSD-UHFFFAOYSA-N 2 2 304.522 4.488 20 0 DIADLP CCCCC(CCCC)[N@@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246658366 1059051731 /nfs/dbraw/zinc/05/17/31/1059051731.db2.gz ZJNKUPYWZGVNLC-UHFFFAOYSA-N 2 2 302.453 4.199 20 0 DIADLP CCCCC(CCCC)[N@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246658366 1059051754 /nfs/dbraw/zinc/05/17/54/1059051754.db2.gz ZJNKUPYWZGVNLC-UHFFFAOYSA-N 2 2 302.453 4.199 20 0 DIADLP CC(C)c1cc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)nc(C(C)C)[nH+]1 ZINC001559236369 1059111048 /nfs/dbraw/zinc/11/10/48/1059111048.db2.gz GGLJEIXZJGMZIW-HZPDHXFCSA-N 2 2 316.493 4.008 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836275 1059115122 /nfs/dbraw/zinc/11/51/22/1059115122.db2.gz OCNSIMFLALGRFK-ROUUACIJSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836275 1059115132 /nfs/dbraw/zinc/11/51/32/1059115132.db2.gz OCNSIMFLALGRFK-ROUUACIJSA-N 2 2 306.881 4.009 20 0 DIADLP COc1ccccc1[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246841078 1059119997 /nfs/dbraw/zinc/11/99/97/1059119997.db2.gz SRKWXXSRIAKJSY-QRFRQXIXSA-N 2 2 324.468 4.181 20 0 DIADLP COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246841078 1059120003 /nfs/dbraw/zinc/12/00/03/1059120003.db2.gz SRKWXXSRIAKJSY-QRFRQXIXSA-N 2 2 324.468 4.181 20 0 DIADLP C[C@H]1CC[C@@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246877235 1059145969 /nfs/dbraw/zinc/14/59/69/1059145969.db2.gz AOGQLFABBIDUFT-DZGCQCFKSA-N 2 2 324.921 4.037 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886142 1059149840 /nfs/dbraw/zinc/14/98/40/1059149840.db2.gz JVYAURPWWYOCSY-GJYPPUQNSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246886142 1059149856 /nfs/dbraw/zinc/14/98/56/1059149856.db2.gz JVYAURPWWYOCSY-GJYPPUQNSA-N 2 2 322.443 4.413 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246903823 1059164470 /nfs/dbraw/zinc/16/44/70/1059164470.db2.gz BXMBTVWWCQVYMZ-XJKSGUPXSA-N 2 2 324.921 4.037 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246903823 1059164475 /nfs/dbraw/zinc/16/44/75/1059164475.db2.gz BXMBTVWWCQVYMZ-XJKSGUPXSA-N 2 2 324.921 4.037 20 0 DIADLP c1ccc(C[C@H]2C[C@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246919726 1059177806 /nfs/dbraw/zinc/17/78/06/1059177806.db2.gz KAXVHUJDJSWZTK-MHTWAQMVSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@H]2C[C@H]([N@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246919726 1059177819 /nfs/dbraw/zinc/17/78/19/1059177819.db2.gz KAXVHUJDJSWZTK-MHTWAQMVSA-N 2 2 312.501 4.004 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950049 1059193959 /nfs/dbraw/zinc/19/39/59/1059193959.db2.gz RQQSDCWTCSGTNK-WSTZPKSXSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950049 1059193962 /nfs/dbraw/zinc/19/39/62/1059193962.db2.gz RQQSDCWTCSGTNK-WSTZPKSXSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951479 1059195364 /nfs/dbraw/zinc/19/53/64/1059195364.db2.gz CRTRPUAETMIXHG-GGPKGHCWSA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246951479 1059195375 /nfs/dbraw/zinc/19/53/75/1059195375.db2.gz CRTRPUAETMIXHG-GGPKGHCWSA-N 2 2 317.521 4.096 20 0 DIADLP CCCC[C@@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960774 1059203806 /nfs/dbraw/zinc/20/38/06/1059203806.db2.gz CDOKJVBTXSKHJJ-CQSZACIVSA-N 2 2 310.432 4.098 20 0 DIADLP CCCC[C@@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960774 1059203827 /nfs/dbraw/zinc/20/38/27/1059203827.db2.gz CDOKJVBTXSKHJJ-CQSZACIVSA-N 2 2 310.432 4.098 20 0 DIADLP C[C@H]1CCC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966238 1059209751 /nfs/dbraw/zinc/20/97/51/1059209751.db2.gz VMOFIADGXXFICT-HOCLYGCPSA-N 2 2 322.443 4.098 20 0 DIADLP C[C@H]1CCC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966238 1059209771 /nfs/dbraw/zinc/20/97/71/1059209771.db2.gz VMOFIADGXXFICT-HOCLYGCPSA-N 2 2 322.443 4.098 20 0 DIADLP C[C@@H]1CCC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966240 1059210005 /nfs/dbraw/zinc/21/00/05/1059210005.db2.gz VMOFIADGXXFICT-ZBFHGGJFSA-N 2 2 322.443 4.098 20 0 DIADLP C[C@@H]1CCC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966240 1059210026 /nfs/dbraw/zinc/21/00/26/1059210026.db2.gz VMOFIADGXXFICT-ZBFHGGJFSA-N 2 2 322.443 4.098 20 0 DIADLP Cc1ccc2c(c1)[nH+]c(CCC1CCCC1)n2C1CC[NH2+]CC1 ZINC001247040244 1059257784 /nfs/dbraw/zinc/25/77/84/1059257784.db2.gz PVTHTNNDGFORQU-UHFFFAOYSA-N 2 2 311.473 4.392 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2c3ccoc3ccc2F)CC1 ZINC001248545556 1059880463 /nfs/dbraw/zinc/88/04/63/1059880463.db2.gz GUKBOHBFCGIZDG-UHFFFAOYSA-N 2 2 318.436 4.268 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2c3ccoc3ccc2F)CC1 ZINC001248545556 1059880495 /nfs/dbraw/zinc/88/04/95/1059880495.db2.gz GUKBOHBFCGIZDG-UHFFFAOYSA-N 2 2 318.436 4.268 20 0 DIADLP CC1(C)CCCC[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560098569 1059908043 /nfs/dbraw/zinc/90/80/43/1059908043.db2.gz KTQBABJVDHXZFS-RBUKOAKNSA-N 2 2 311.473 4.430 20 0 DIADLP CCCC1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001560291495 1060069872 /nfs/dbraw/zinc/06/98/72/1060069872.db2.gz UBAYTWCYDZDOPK-UHFFFAOYSA-N 2 2 303.475 4.382 20 0 DIADLP C[C@H](C[NH2+]C1CCC(C2CCCCC2)CC1)Cn1cc[nH+]c1 ZINC001560313198 1060097675 /nfs/dbraw/zinc/09/76/75/1060097675.db2.gz LZKHHAVDPCHEDJ-IPJUCJBFSA-N 2 2 303.494 4.248 20 0 DIADLP CC(C)CC(CC(C)C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560314644 1060102339 /nfs/dbraw/zinc/10/23/39/1060102339.db2.gz IWSAEHCRLVCOHS-UHFFFAOYSA-N 2 2 305.491 4.484 20 0 DIADLP CCCC[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560325426 1060112798 /nfs/dbraw/zinc/11/27/98/1060112798.db2.gz JALCRWJKDWJTMU-SFHVURJKSA-N 2 2 318.549 4.484 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560325426 1060112806 /nfs/dbraw/zinc/11/28/06/1060112806.db2.gz JALCRWJKDWJTMU-SFHVURJKSA-N 2 2 318.549 4.484 20 0 DIADLP CC(C)(C)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346478 1060133043 /nfs/dbraw/zinc/13/30/43/1060133043.db2.gz YEZZJRKPQURMFK-GOSISDBHSA-N 2 2 302.506 4.455 20 0 DIADLP CC(C)(C)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346478 1060133058 /nfs/dbraw/zinc/13/30/58/1060133058.db2.gz YEZZJRKPQURMFK-GOSISDBHSA-N 2 2 302.506 4.455 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)s1 ZINC001560414827 1060197402 /nfs/dbraw/zinc/19/74/02/1060197402.db2.gz MHDGTYUENGYHBM-SNVBAGLBSA-N 2 2 323.874 4.500 20 0 DIADLP C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001249480314 1060261989 /nfs/dbraw/zinc/26/19/89/1060261989.db2.gz NXCXXAKCEWAKDQ-UHFFFAOYSA-N 2 2 322.456 4.130 20 0 DIADLP C[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001249480314 1060262005 /nfs/dbraw/zinc/26/20/05/1060262005.db2.gz NXCXXAKCEWAKDQ-UHFFFAOYSA-N 2 2 322.456 4.130 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001560615373 1060429827 /nfs/dbraw/zinc/42/98/27/1060429827.db2.gz NTVWQJQZSOFZBC-WOJBJXKFSA-N 2 2 314.517 4.424 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001560615373 1060429838 /nfs/dbraw/zinc/42/98/38/1060429838.db2.gz NTVWQJQZSOFZBC-WOJBJXKFSA-N 2 2 314.517 4.424 20 0 DIADLP CCc1cccc(Cl)c1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001560636945 1060451994 /nfs/dbraw/zinc/45/19/94/1060451994.db2.gz QVCZZRZCLGTAIG-ZBFHGGJFSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001560636945 1060452003 /nfs/dbraw/zinc/45/20/03/1060452003.db2.gz QVCZZRZCLGTAIG-ZBFHGGJFSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC001560636945 1060452015 /nfs/dbraw/zinc/45/20/15/1060452015.db2.gz QVCZZRZCLGTAIG-ZBFHGGJFSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC001560636945 1060452028 /nfs/dbraw/zinc/45/20/28/1060452028.db2.gz QVCZZRZCLGTAIG-ZBFHGGJFSA-N 2 2 308.897 4.207 20 0 DIADLP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1F ZINC001560657712 1060480981 /nfs/dbraw/zinc/48/09/81/1060480981.db2.gz XBHJPIOPOGYPEM-SFHVURJKSA-N 2 2 318.480 4.078 20 0 DIADLP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1F ZINC001560657712 1060480989 /nfs/dbraw/zinc/48/09/89/1060480989.db2.gz XBHJPIOPOGYPEM-SFHVURJKSA-N 2 2 318.480 4.078 20 0 DIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668604 1060497164 /nfs/dbraw/zinc/49/71/64/1060497164.db2.gz PRPKNGKAWQXPIY-CQSZACIVSA-N 2 2 314.395 4.070 20 0 DIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668604 1060497181 /nfs/dbraw/zinc/49/71/81/1060497181.db2.gz PRPKNGKAWQXPIY-CQSZACIVSA-N 2 2 314.395 4.070 20 0 DIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668604 1060497196 /nfs/dbraw/zinc/49/71/96/1060497196.db2.gz PRPKNGKAWQXPIY-CQSZACIVSA-N 2 2 314.395 4.070 20 0 DIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668604 1060497212 /nfs/dbraw/zinc/49/72/12/1060497212.db2.gz PRPKNGKAWQXPIY-CQSZACIVSA-N 2 2 314.395 4.070 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CCC1 ZINC001560764097 1060629964 /nfs/dbraw/zinc/62/99/64/1060629964.db2.gz RMKQLQPFLFDWKT-AEFFLSMTSA-N 2 2 320.908 4.125 20 0 DIADLP CC(C)c1ccc(CC[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001560790169 1060652080 /nfs/dbraw/zinc/65/20/80/1060652080.db2.gz VLPSOCVFQCAPPB-UHFFFAOYSA-N 2 2 302.506 4.064 20 0 DIADLP CC(C)c1ccc(CC[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001560790169 1060652089 /nfs/dbraw/zinc/65/20/89/1060652089.db2.gz VLPSOCVFQCAPPB-UHFFFAOYSA-N 2 2 302.506 4.064 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001560851638 1060709581 /nfs/dbraw/zinc/70/95/81/1060709581.db2.gz AGGVWOBDNYVBBC-GRDNDAEWSA-N 2 2 315.848 4.194 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001560852869 1060711368 /nfs/dbraw/zinc/71/13/68/1060711368.db2.gz UMOLNYKVKXRVRD-PBHICJAKSA-N 2 2 317.864 4.440 20 0 DIADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000536849044 1060712152 /nfs/dbraw/zinc/71/21/52/1060712152.db2.gz ZFWMTTVZYQARGM-WWMYMODYSA-N 2 2 323.484 4.128 20 0 DIADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000536849044 1060712163 /nfs/dbraw/zinc/71/21/63/1060712163.db2.gz ZFWMTTVZYQARGM-WWMYMODYSA-N 2 2 323.484 4.128 20 0 DIADLP C[C@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+](Cc2ccccc2)C1 ZINC001560855835 1060714590 /nfs/dbraw/zinc/71/45/90/1060714590.db2.gz DNHARTJRQODMOY-ACAXCVFMSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC001560855835 1060714603 /nfs/dbraw/zinc/71/46/03/1060714603.db2.gz DNHARTJRQODMOY-ACAXCVFMSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001560960935 1060824567 /nfs/dbraw/zinc/82/45/67/1060824567.db2.gz FPUFGNJXGHFUTC-PXNSSMCTSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001560960935 1060824573 /nfs/dbraw/zinc/82/45/73/1060824573.db2.gz FPUFGNJXGHFUTC-PXNSSMCTSA-N 2 2 314.517 4.349 20 0 DIADLP CC[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001560984464 1060850099 /nfs/dbraw/zinc/85/00/99/1060850099.db2.gz ZMZPWHOUSBAQTF-NQIIRXRSSA-N 2 2 319.452 4.408 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC001561039371 1060891411 /nfs/dbraw/zinc/89/14/11/1060891411.db2.gz QDMTZZPIRYLJIW-DAYGRLMNSA-N 2 2 310.913 4.398 20 0 DIADLP Cc1cc(C)c(C[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)c(C)c1 ZINC001278583835 1060919473 /nfs/dbraw/zinc/91/94/73/1060919473.db2.gz YZWAKRSFWXXDLO-UHFFFAOYSA-N 2 2 312.501 4.062 20 0 DIADLP Cc1cc(C)c(C[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)c(C)c1 ZINC001278583835 1060919491 /nfs/dbraw/zinc/91/94/91/1060919491.db2.gz YZWAKRSFWXXDLO-UHFFFAOYSA-N 2 2 312.501 4.062 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462145293 1060965982 /nfs/dbraw/zinc/96/59/82/1060965982.db2.gz GZONEYZIQCLJGX-MOPGFXCFSA-N 2 2 306.538 4.449 20 0 DIADLP CC[C@H]1CCC[C@@H](C[N@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218955 1061035413 /nfs/dbraw/zinc/03/54/13/1061035413.db2.gz MHVZPMHUQGGKBH-ZWKOTPCHSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCC[NH+](C)Cc2ccco2)C1 ZINC001462218955 1061035423 /nfs/dbraw/zinc/03/54/23/1061035423.db2.gz MHVZPMHUQGGKBH-ZWKOTPCHSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@H]1CCC[C@@H](C[NH+](C)CCC[N@H+](C)Cc2ccco2)C1 ZINC001462218955 1061035434 /nfs/dbraw/zinc/03/54/34/1061035434.db2.gz MHVZPMHUQGGKBH-ZWKOTPCHSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@H]1CCC[C@@H](C[NH+](C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001462218955 1061035447 /nfs/dbraw/zinc/03/54/47/1061035447.db2.gz MHVZPMHUQGGKBH-ZWKOTPCHSA-N 2 2 306.494 4.250 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001462430397 1061169943 /nfs/dbraw/zinc/16/99/43/1061169943.db2.gz SVTSPIUIBOLLIJ-QUCCMNQESA-N 2 2 302.506 4.108 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccccc1 ZINC001462454941 1061183757 /nfs/dbraw/zinc/18/37/57/1061183757.db2.gz XIHKFZTXRYFOOB-MSOLQXFVSA-N 2 2 311.473 4.262 20 0 DIADLP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2OCC(C)C)CC1 ZINC001462486921 1061208867 /nfs/dbraw/zinc/20/88/67/1061208867.db2.gz WCHHLWIUNYWRBH-UHFFFAOYSA-N 2 2 318.505 4.028 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2c(C)cccc2Cl)CC1 ZINC001473698773 1061354387 /nfs/dbraw/zinc/35/43/87/1061354387.db2.gz WTOVDYKOYSFIKT-UHFFFAOYSA-N 2 2 320.908 4.489 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001473777860 1061405841 /nfs/dbraw/zinc/40/58/41/1061405841.db2.gz HWELCECKYVBJSK-LJQANCHMSA-N 2 2 316.464 4.153 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001473777859 1061406056 /nfs/dbraw/zinc/40/60/56/1061406056.db2.gz HWELCECKYVBJSK-IBGZPJMESA-N 2 2 316.464 4.153 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001473777915 1061406091 /nfs/dbraw/zinc/40/60/91/1061406091.db2.gz JSDDMKTVGVVNLU-LJQANCHMSA-N 2 2 316.464 4.153 20 0 DIADLP C[C@H](CCc1ccccc1)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001473950897 1061492085 /nfs/dbraw/zinc/49/20/85/1061492085.db2.gz YRFJVLVCFQCQOT-IEBWSBKVSA-N 2 2 313.489 4.156 20 0 DIADLP C[C@@H](CCc1ccccc1)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001473950899 1061492115 /nfs/dbraw/zinc/49/21/15/1061492115.db2.gz YRFJVLVCFQCQOT-PKOBYXMFSA-N 2 2 313.489 4.156 20 0 DIADLP CC(C)CCC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001473952874 1061494240 /nfs/dbraw/zinc/49/42/40/1061494240.db2.gz TVEYVNWZAFZERW-FQEVSTJZSA-N 2 2 302.506 4.485 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+]CCCCn2cc[nH+]c2)c1Cl ZINC001473952918 1061494759 /nfs/dbraw/zinc/49/47/59/1061494759.db2.gz VJURPOJXQVWRQY-UHFFFAOYSA-N 2 2 312.244 4.068 20 0 DIADLP CC1(C)CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001473955663 1061496273 /nfs/dbraw/zinc/49/62/73/1061496273.db2.gz KTDJXNVNXCOHNC-OAHLLOKOSA-N 2 2 301.409 4.070 20 0 DIADLP CC(C)[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC001473958489 1061499737 /nfs/dbraw/zinc/49/97/37/1061499737.db2.gz CCLXBUUGEGDWMF-FQEVSTJZSA-N 2 2 319.452 4.402 20 0 DIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC001458105485 1061571051 /nfs/dbraw/zinc/57/10/51/1061571051.db2.gz COPURJMZORYPQO-AWEZNQCLSA-N 2 2 321.428 4.076 20 0 DIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC001458105485 1061571070 /nfs/dbraw/zinc/57/10/70/1061571070.db2.gz COPURJMZORYPQO-AWEZNQCLSA-N 2 2 321.428 4.076 20 0 DIADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001474031306 1061573353 /nfs/dbraw/zinc/57/33/53/1061573353.db2.gz XRMIYXVJVGQAAS-CUDHKJQZSA-N 2 2 300.490 4.033 20 0 DIADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001474031306 1061573371 /nfs/dbraw/zinc/57/33/71/1061573371.db2.gz XRMIYXVJVGQAAS-CUDHKJQZSA-N 2 2 300.490 4.033 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1Cl ZINC001474155913 1061698031 /nfs/dbraw/zinc/69/80/31/1061698031.db2.gz PROWXNRZHCRFCZ-KRWDZBQOSA-N 2 2 308.897 4.249 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001474158298 1061699945 /nfs/dbraw/zinc/69/99/45/1061699945.db2.gz FXSFTRRYWLDOJB-QDMKHBRRSA-N 2 2 315.848 4.194 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C)[NH+](CC)CC)cc1 ZINC001474164807 1061708584 /nfs/dbraw/zinc/70/85/84/1061708584.db2.gz RXRVTWYETNHMHZ-DBVUQKKJSA-N 2 2 302.506 4.410 20 0 DIADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(CC2CCC2)c1 ZINC001474195438 1061743731 /nfs/dbraw/zinc/74/37/31/1061743731.db2.gz WDGBYNNXILXKND-LEWJYISDSA-N 2 2 312.501 4.136 20 0 DIADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(CC2CCC2)c1 ZINC001474195438 1061743750 /nfs/dbraw/zinc/74/37/50/1061743750.db2.gz WDGBYNNXILXKND-LEWJYISDSA-N 2 2 312.501 4.136 20 0 DIADLP CCN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001474225462 1061786904 /nfs/dbraw/zinc/78/69/04/1061786904.db2.gz IVSQCRDYJAUXTH-NRFANRHFSA-N 2 2 323.484 4.028 20 0 DIADLP CCN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001474225462 1061786926 /nfs/dbraw/zinc/78/69/26/1061786926.db2.gz IVSQCRDYJAUXTH-NRFANRHFSA-N 2 2 323.484 4.028 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001474238407 1061802990 /nfs/dbraw/zinc/80/29/90/1061802990.db2.gz BDWJLISKEWMOAZ-KKHYBRAUSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001474238407 1061803015 /nfs/dbraw/zinc/80/30/15/1061803015.db2.gz BDWJLISKEWMOAZ-KKHYBRAUSA-N 2 2 316.464 4.226 20 0 DIADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001474246719 1061811603 /nfs/dbraw/zinc/81/16/03/1061811603.db2.gz DKZJINKXVXHVTG-GGPKGHCWSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351632 1061964766 /nfs/dbraw/zinc/96/47/66/1061964766.db2.gz KDFTWVMPGIUETQ-OSFYFWSMSA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351632 1061964783 /nfs/dbraw/zinc/96/47/83/1061964783.db2.gz KDFTWVMPGIUETQ-OSFYFWSMSA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[N@@H+]1C ZINC001474351632 1061964798 /nfs/dbraw/zinc/96/47/98/1061964798.db2.gz KDFTWVMPGIUETQ-OSFYFWSMSA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC001474351632 1061964816 /nfs/dbraw/zinc/96/48/16/1061964816.db2.gz KDFTWVMPGIUETQ-OSFYFWSMSA-N 2 2 310.532 4.088 20 0 DIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C(C)C)CC1 ZINC001474361491 1061984298 /nfs/dbraw/zinc/98/42/98/1061984298.db2.gz TWGXIXHZYNHRPC-UHFFFAOYSA-N 2 2 315.505 4.056 20 0 DIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C(C)C)CC1 ZINC001474361491 1061984312 /nfs/dbraw/zinc/98/43/12/1061984312.db2.gz TWGXIXHZYNHRPC-UHFFFAOYSA-N 2 2 315.505 4.056 20 0 DIADLP C[NH+](C)CC1(C[NH2+]Cc2c(Cl)oc3ccccc32)CCCC1 ZINC001474423988 1062099107 /nfs/dbraw/zinc/09/91/07/1062099107.db2.gz FEUYNMYJAJNEJG-UHFFFAOYSA-N 2 2 320.864 4.298 20 0 DIADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001474435288 1062112584 /nfs/dbraw/zinc/11/25/84/1062112584.db2.gz VSVMEUZTGGUOTM-RTBURBONSA-N 2 2 317.521 4.447 20 0 DIADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001474435288 1062112589 /nfs/dbraw/zinc/11/25/89/1062112589.db2.gz VSVMEUZTGGUOTM-RTBURBONSA-N 2 2 317.521 4.447 20 0 DIADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001474435286 1062112710 /nfs/dbraw/zinc/11/27/10/1062112710.db2.gz VSVMEUZTGGUOTM-OALUTQOASA-N 2 2 317.521 4.447 20 0 DIADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001474435286 1062112714 /nfs/dbraw/zinc/11/27/14/1062112714.db2.gz VSVMEUZTGGUOTM-OALUTQOASA-N 2 2 317.521 4.447 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001254489234 1062131189 /nfs/dbraw/zinc/13/11/89/1062131189.db2.gz GYPWJDXGHZHTHU-OALUTQOASA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001254489234 1062131198 /nfs/dbraw/zinc/13/11/98/1062131198.db2.gz GYPWJDXGHZHTHU-OALUTQOASA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@@H](CCc1ccccc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001254497233 1062137239 /nfs/dbraw/zinc/13/72/39/1062137239.db2.gz AJPRPZOREYWQAB-OALUTQOASA-N 2 2 311.473 4.324 20 0 DIADLP C[N@H+](Cc1sc2ccccc2c1Cl)[C@@H]1CCC[NH+](C)CC1 ZINC001254524876 1062160394 /nfs/dbraw/zinc/16/03/94/1062160394.db2.gz DIFIAYNKGRYXNH-CYBMUJFWSA-N 2 2 322.905 4.471 20 0 DIADLP C[N@@H+](Cc1sc2ccccc2c1Cl)[C@@H]1CCC[NH+](C)CC1 ZINC001254524876 1062160403 /nfs/dbraw/zinc/16/04/03/1062160403.db2.gz DIFIAYNKGRYXNH-CYBMUJFWSA-N 2 2 322.905 4.471 20 0 DIADLP C[NH+](Cc1sc2ccccc2c1Cl)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524876 1062160412 /nfs/dbraw/zinc/16/04/12/1062160412.db2.gz DIFIAYNKGRYXNH-CYBMUJFWSA-N 2 2 322.905 4.471 20 0 DIADLP C[NH+](Cc1sc2ccccc2c1Cl)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524876 1062160424 /nfs/dbraw/zinc/16/04/24/1062160424.db2.gz DIFIAYNKGRYXNH-CYBMUJFWSA-N 2 2 322.905 4.471 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001474536701 1062222983 /nfs/dbraw/zinc/22/29/83/1062222983.db2.gz DWZBLFLDSLUFGZ-PWRODBHTSA-N 2 2 314.517 4.280 20 0 DIADLP c1ccc(C[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)c2ccccc2)cc1 ZINC001254832644 1062259202 /nfs/dbraw/zinc/25/92/02/1062259202.db2.gz PXWMRGKWYBUQFI-FGZHOGPDSA-N 2 2 320.480 4.044 20 0 DIADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558553 1062260760 /nfs/dbraw/zinc/26/07/60/1062260760.db2.gz RABSNMAJZFETRA-LSDHHAIUSA-N 2 2 300.421 4.114 20 0 DIADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC001474558553 1062260767 /nfs/dbraw/zinc/26/07/67/1062260767.db2.gz RABSNMAJZFETRA-LSDHHAIUSA-N 2 2 300.421 4.114 20 0 DIADLP CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254850076 1062264749 /nfs/dbraw/zinc/26/47/49/1062264749.db2.gz DALLBNYVKULPOX-UZLBHIALSA-N 2 2 300.490 4.020 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254847567 1062265858 /nfs/dbraw/zinc/26/58/58/1062265858.db2.gz IBSDJIZAWGXSBP-RXVVDRJESA-N 2 2 308.469 4.365 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001474604855 1062319257 /nfs/dbraw/zinc/31/92/57/1062319257.db2.gz OEFVBYZPUZETHU-QZTJIDSGSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001474604855 1062319277 /nfs/dbraw/zinc/31/92/77/1062319277.db2.gz OEFVBYZPUZETHU-QZTJIDSGSA-N 2 2 306.881 4.063 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630648 1062352258 /nfs/dbraw/zinc/35/22/58/1062352258.db2.gz PIWAPEXWAVZXAB-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001474630648 1062352285 /nfs/dbraw/zinc/35/22/85/1062352285.db2.gz PIWAPEXWAVZXAB-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP CC1(C)CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255300624 1062385112 /nfs/dbraw/zinc/38/51/12/1062385112.db2.gz BKBACYADFJDRHJ-WKILWMFISA-N 2 2 301.478 4.127 20 0 DIADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683268 1062413521 /nfs/dbraw/zinc/41/35/21/1062413521.db2.gz WTELUEBRSOBGSS-RXVVDRJESA-N 2 2 319.452 4.235 20 0 DIADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683299 1062415568 /nfs/dbraw/zinc/41/55/68/1062415568.db2.gz XULSKHMRVZWEPG-SFTDATJTSA-N 2 2 319.452 4.235 20 0 DIADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CSc1ccc(F)cc1 ZINC001255727806 1062545667 /nfs/dbraw/zinc/54/56/67/1062545667.db2.gz BMTITWDBTVNOSC-CVEARBPZSA-N 2 2 324.509 4.016 20 0 DIADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001255727809 1062546688 /nfs/dbraw/zinc/54/66/88/1062546688.db2.gz BMTITWDBTVNOSC-JKSUJKDBSA-N 2 2 324.509 4.016 20 0 DIADLP Cc1ccc(C[C@@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)cc1 ZINC001255783799 1062605223 /nfs/dbraw/zinc/60/52/23/1062605223.db2.gz IQXDPRWKGKGUNH-MRXNPFEDSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC001255882624 1062655396 /nfs/dbraw/zinc/65/53/96/1062655396.db2.gz FJCUKOPSZBHNBE-UHFFFAOYSA-N 2 2 318.480 4.411 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2CCCCCC2)CC1 ZINC001255893753 1062657350 /nfs/dbraw/zinc/65/73/50/1062657350.db2.gz MPZFRNVIUUBDQC-UHFFFAOYSA-N 2 2 318.480 4.445 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2CCCCCC2)CC1 ZINC001255893753 1062657363 /nfs/dbraw/zinc/65/73/63/1062657363.db2.gz MPZFRNVIUUBDQC-UHFFFAOYSA-N 2 2 318.480 4.445 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC001255942076 1062664695 /nfs/dbraw/zinc/66/46/95/1062664695.db2.gz DCQRQKQPRGAQIG-LBPRGKRZSA-N 2 2 303.277 4.203 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001255968241 1062674619 /nfs/dbraw/zinc/67/46/19/1062674619.db2.gz WSMVYBDCWIAGPT-RDTXWAMCSA-N 2 2 310.432 4.222 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001255968241 1062674628 /nfs/dbraw/zinc/67/46/28/1062674628.db2.gz WSMVYBDCWIAGPT-RDTXWAMCSA-N 2 2 310.432 4.222 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001255968238 1062674892 /nfs/dbraw/zinc/67/48/92/1062674892.db2.gz WSMVYBDCWIAGPT-KBXCAEBGSA-N 2 2 310.432 4.222 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001255968238 1062674903 /nfs/dbraw/zinc/67/49/03/1062674903.db2.gz WSMVYBDCWIAGPT-KBXCAEBGSA-N 2 2 310.432 4.222 20 0 DIADLP c1ccc([C@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001256109695 1062710126 /nfs/dbraw/zinc/71/01/26/1062710126.db2.gz OVJPHKLLNTYLNA-XUVXKRRUSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC001256109695 1062710143 /nfs/dbraw/zinc/71/01/43/1062710143.db2.gz OVJPHKLLNTYLNA-XUVXKRRUSA-N 2 2 312.501 4.319 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001256525924 1062846005 /nfs/dbraw/zinc/84/60/05/1062846005.db2.gz HDNZFWWNFJXASC-SXLOBPIMSA-N 2 2 323.484 4.175 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001256525924 1062846029 /nfs/dbraw/zinc/84/60/29/1062846029.db2.gz HDNZFWWNFJXASC-SXLOBPIMSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555632 1062878569 /nfs/dbraw/zinc/87/85/69/1062878569.db2.gz VHJZCQZZNTWZRS-APWZRJJASA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555632 1062878593 /nfs/dbraw/zinc/87/85/93/1062878593.db2.gz VHJZCQZZNTWZRS-APWZRJJASA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555632 1062878616 /nfs/dbraw/zinc/87/86/16/1062878616.db2.gz VHJZCQZZNTWZRS-APWZRJJASA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555632 1062878626 /nfs/dbraw/zinc/87/86/26/1062878626.db2.gz VHJZCQZZNTWZRS-APWZRJJASA-N 2 2 324.443 4.194 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001256568797 1062893950 /nfs/dbraw/zinc/89/39/50/1062893950.db2.gz FQYSJRARVYIJGI-INIZCTEOSA-N 2 2 322.880 4.016 20 0 DIADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001256573998 1062897539 /nfs/dbraw/zinc/89/75/39/1062897539.db2.gz RPYOWEUULOTQSP-SFHVURJKSA-N 2 2 318.530 4.039 20 0 DIADLP CC(C)(C)[NH+]1CCC([N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001256573998 1062897554 /nfs/dbraw/zinc/89/75/54/1062897554.db2.gz RPYOWEUULOTQSP-SFHVURJKSA-N 2 2 318.530 4.039 20 0 DIADLP CC(C)C[NH+](CC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604969 1062913758 /nfs/dbraw/zinc/91/37/58/1062913758.db2.gz VDUXWISRJZLYDN-UHFFFAOYSA-N 2 2 302.506 4.265 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001460574648 1062919310 /nfs/dbraw/zinc/91/93/10/1062919310.db2.gz FMKVKXSKJXWSFI-GOSISDBHSA-N 2 2 318.892 4.278 20 0 DIADLP CC(C)c1ccc(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c(C(C)C)c1 ZINC001460662238 1062966641 /nfs/dbraw/zinc/96/66/41/1062966641.db2.gz HJZBTPYYHJVNCF-UHFFFAOYSA-N 2 2 323.484 4.469 20 0 DIADLP CC(C)c1ccc(C[N@H+]2CCc3[nH+]ccc(N)c3C2)c(C(C)C)c1 ZINC001460662238 1062966670 /nfs/dbraw/zinc/96/66/70/1062966670.db2.gz HJZBTPYYHJVNCF-UHFFFAOYSA-N 2 2 323.484 4.469 20 0 DIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001460705900 1062998263 /nfs/dbraw/zinc/99/82/63/1062998263.db2.gz GIBMDIBALDTEAY-UHFFFAOYSA-N 2 2 318.480 4.365 20 0 DIADLP CCC[N@H+](C[Si](C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460936617 1063145416 /nfs/dbraw/zinc/14/54/16/1063145416.db2.gz OARDSLMTKYVWJV-UHFFFAOYSA-N 2 2 318.581 4.240 20 0 DIADLP CCC[N@@H+](C[Si](C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460936617 1063145422 /nfs/dbraw/zinc/14/54/22/1063145422.db2.gz OARDSLMTKYVWJV-UHFFFAOYSA-N 2 2 318.581 4.240 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001460989204 1063168506 /nfs/dbraw/zinc/16/85/06/1063168506.db2.gz LBXMTIHAKIRWLI-HSALFYBXSA-N 2 2 300.490 4.177 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001460989204 1063168521 /nfs/dbraw/zinc/16/85/21/1063168521.db2.gz LBXMTIHAKIRWLI-HSALFYBXSA-N 2 2 300.490 4.177 20 0 DIADLP CCCCOc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001461063726 1063228703 /nfs/dbraw/zinc/22/87/03/1063228703.db2.gz DHPZRDYAQMOQAL-UHFFFAOYSA-N 2 2 318.505 4.218 20 0 DIADLP CCCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001257358378 1063228750 /nfs/dbraw/zinc/22/87/50/1063228750.db2.gz ZYSSGDMWSQHPGV-KRWDZBQOSA-N 2 2 318.505 4.305 20 0 DIADLP CC1CC[NH+]([C@H](C[NH2+]C[C@H]2CC=CCC2)c2ccccc2)CC1 ZINC001461093233 1063246371 /nfs/dbraw/zinc/24/63/71/1063246371.db2.gz VZDPERFOFSMMCW-PZJWPPBQSA-N 2 2 312.501 4.406 20 0 DIADLP CC(C)C1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001461091676 1063248269 /nfs/dbraw/zinc/24/82/69/1063248269.db2.gz CTLHCAGVYAOFCI-UHFFFAOYSA-N 2 2 315.436 4.316 20 0 DIADLP CCCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257410771 1063260110 /nfs/dbraw/zinc/26/01/10/1063260110.db2.gz XRAYDHDGYWAIIC-SFHVURJKSA-N 2 2 318.505 4.218 20 0 DIADLP CC(C)C1CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001461118730 1063268474 /nfs/dbraw/zinc/26/84/74/1063268474.db2.gz DVTMXEORJOSHPF-UHFFFAOYSA-N 2 2 311.473 4.424 20 0 DIADLP CCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257501531 1063310708 /nfs/dbraw/zinc/31/07/08/1063310708.db2.gz BKIVENPUXMTACZ-DOMZBBRYSA-N 2 2 313.283 4.007 20 0 DIADLP CCCCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257509530 1063318653 /nfs/dbraw/zinc/31/86/53/1063318653.db2.gz HFVJYJOVJRPXCS-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257509530 1063318677 /nfs/dbraw/zinc/31/86/77/1063318677.db2.gz HFVJYJOVJRPXCS-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257509530 1063318694 /nfs/dbraw/zinc/31/86/94/1063318694.db2.gz HFVJYJOVJRPXCS-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257509530 1063318714 /nfs/dbraw/zinc/31/87/14/1063318714.db2.gz HFVJYJOVJRPXCS-DLBZAZTESA-N 2 2 320.525 4.069 20 0 DIADLP c1cc(-c2ccccc2)sc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001461263771 1063374460 /nfs/dbraw/zinc/37/44/60/1063374460.db2.gz PTVXLLKRJALFOG-UHFFFAOYSA-N 2 2 323.465 4.402 20 0 DIADLP CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473125132 1063428964 /nfs/dbraw/zinc/42/89/64/1063428964.db2.gz LFSWJKASQRMDDK-UHFFFAOYSA-N 2 2 323.415 4.422 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473125132 1063428975 /nfs/dbraw/zinc/42/89/75/1063428975.db2.gz LFSWJKASQRMDDK-UHFFFAOYSA-N 2 2 323.415 4.422 20 0 DIADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CC1 ZINC001258014974 1063466497 /nfs/dbraw/zinc/46/64/97/1063466497.db2.gz VMXGPCXBXXLTIT-IBGZPJMESA-N 2 2 322.443 4.222 20 0 DIADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2c2cc(F)ccc2F)CC1 ZINC001258014974 1063466503 /nfs/dbraw/zinc/46/65/03/1063466503.db2.gz VMXGPCXBXXLTIT-IBGZPJMESA-N 2 2 322.443 4.222 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001461403712 1063475059 /nfs/dbraw/zinc/47/50/59/1063475059.db2.gz CUSQDPIPZKPRPV-MRXNPFEDSA-N 2 2 317.436 4.212 20 0 DIADLP C[NH+](C)CC1(C[NH2+]Cc2cccc(Cl)c2Cl)CCCC1 ZINC001461424498 1063491069 /nfs/dbraw/zinc/49/10/69/1063491069.db2.gz QCNZIARFQINTTE-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258064705 1063493149 /nfs/dbraw/zinc/49/31/49/1063493149.db2.gz RNALIMAQBVLLHG-SJORKVTESA-N 2 2 304.478 4.386 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001461430368 1063496143 /nfs/dbraw/zinc/49/61/43/1063496143.db2.gz LNGYFYKLWICLCV-OAHLLOKOSA-N 2 2 324.896 4.093 20 0 DIADLP CSCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001258208950 1063559931 /nfs/dbraw/zinc/55/99/31/1063559931.db2.gz QXYSSTQQWKPYNU-AYOQOUSVSA-N 2 2 314.498 4.159 20 0 DIADLP CSC(C)(C)C[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258328437 1063613226 /nfs/dbraw/zinc/61/32/26/1063613226.db2.gz BMUCNBMLUWNXIU-JYJNAYRXSA-N 2 2 321.534 4.078 20 0 DIADLP CC(C)Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001461644704 1063632442 /nfs/dbraw/zinc/63/24/42/1063632442.db2.gz ILJIUMSTSJUSRJ-OAQYLSRUSA-N 2 2 314.517 4.382 20 0 DIADLP CC(C)Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001461644704 1063632449 /nfs/dbraw/zinc/63/24/49/1063632449.db2.gz ILJIUMSTSJUSRJ-OAQYLSRUSA-N 2 2 314.517 4.382 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258657908 1063728663 /nfs/dbraw/zinc/72/86/63/1063728663.db2.gz WEFOPUJHDLDSCA-IBGZPJMESA-N 2 2 324.468 4.336 20 0 DIADLP CCCCC[C@@H](CCC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258662310 1063730156 /nfs/dbraw/zinc/73/01/56/1063730156.db2.gz PIHGRSQEDQLRIM-HXUWFJFHSA-N 2 2 302.506 4.457 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258713349 1063770251 /nfs/dbraw/zinc/77/02/51/1063770251.db2.gz GXWCGIZNBUAMSC-FQEVSTJZSA-N 2 2 311.473 4.322 20 0 DIADLP CCC[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC001258769690 1063812636 /nfs/dbraw/zinc/81/26/36/1063812636.db2.gz BPWZNSXOZASKBL-UHFFFAOYSA-N 2 2 306.881 4.183 20 0 DIADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258783824 1063821439 /nfs/dbraw/zinc/82/14/39/1063821439.db2.gz JLPSBYRLFXXIHO-SJLPKXTDSA-N 2 2 318.505 4.161 20 0 DIADLP CC[C@H](C)C[C@H](CC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258800718 1063833706 /nfs/dbraw/zinc/83/37/06/1063833706.db2.gz TVAWPOMAAFAQLJ-RDJZCZTQSA-N 2 2 303.494 4.163 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258815583 1063846450 /nfs/dbraw/zinc/84/64/50/1063846450.db2.gz YVEVFXMOENHGGB-FOIQADDNSA-N 2 2 318.480 4.267 20 0 DIADLP CC(C)CC(CC(C)C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258837267 1063858939 /nfs/dbraw/zinc/85/89/39/1063858939.db2.gz KXIOMAVBQNAFOZ-UHFFFAOYSA-N 2 2 321.484 4.240 20 0 DIADLP CC[C@@H](Cc1ccccc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258853494 1063868071 /nfs/dbraw/zinc/86/80/71/1063868071.db2.gz ZBEONGLYSJGABD-IBGZPJMESA-N 2 2 314.517 4.347 20 0 DIADLP CC[C@@H](Cc1ccccc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258853494 1063868081 /nfs/dbraw/zinc/86/80/81/1063868081.db2.gz ZBEONGLYSJGABD-IBGZPJMESA-N 2 2 314.517 4.347 20 0 DIADLP CCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001279330587 1064343763 /nfs/dbraw/zinc/34/37/63/1064343763.db2.gz QUCAVVLTPCPTPE-HXUWFJFHSA-N 2 2 316.489 4.073 20 0 DIADLP CCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001279330587 1064343773 /nfs/dbraw/zinc/34/37/73/1064343773.db2.gz QUCAVVLTPCPTPE-HXUWFJFHSA-N 2 2 316.489 4.073 20 0 DIADLP CCc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)o1 ZINC001279330587 1064343794 /nfs/dbraw/zinc/34/37/94/1064343794.db2.gz QUCAVVLTPCPTPE-HXUWFJFHSA-N 2 2 316.489 4.073 20 0 DIADLP CCc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)o1 ZINC001279330587 1064343804 /nfs/dbraw/zinc/34/38/04/1064343804.db2.gz QUCAVVLTPCPTPE-HXUWFJFHSA-N 2 2 316.489 4.073 20 0 DIADLP CC/C=C\CC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279522063 1064354428 /nfs/dbraw/zinc/35/44/28/1064354428.db2.gz SWMCTWXAHYTIPR-XQQSMPNESA-N 2 2 315.505 4.049 20 0 DIADLP CC/C=C\CC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279522063 1064354437 /nfs/dbraw/zinc/35/44/37/1064354437.db2.gz SWMCTWXAHYTIPR-XQQSMPNESA-N 2 2 315.505 4.049 20 0 DIADLP CC/C=C\CC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001279522063 1064354444 /nfs/dbraw/zinc/35/44/44/1064354444.db2.gz SWMCTWXAHYTIPR-XQQSMPNESA-N 2 2 315.505 4.049 20 0 DIADLP CC/C=C\CC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001279522063 1064354453 /nfs/dbraw/zinc/35/44/53/1064354453.db2.gz SWMCTWXAHYTIPR-XQQSMPNESA-N 2 2 315.505 4.049 20 0 DIADLP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517877 1065457929 /nfs/dbraw/zinc/45/79/29/1065457929.db2.gz GKLVNXHFEAHQIA-LAUBAEHRSA-N 2 2 317.436 4.250 20 0 DIADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517877 1065457938 /nfs/dbraw/zinc/45/79/38/1065457938.db2.gz GKLVNXHFEAHQIA-LAUBAEHRSA-N 2 2 317.436 4.250 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C(C)(C)C)CC1 ZINC001307523346 1065461596 /nfs/dbraw/zinc/46/15/96/1065461596.db2.gz JQKVURSJZXSSTO-GMNCBBECSA-N 2 2 306.538 4.398 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C(C)(C)C)CC1 ZINC001307523346 1065461599 /nfs/dbraw/zinc/46/15/99/1065461599.db2.gz JQKVURSJZXSSTO-GMNCBBECSA-N 2 2 306.538 4.398 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C(C)(C)C)CC1 ZINC001307523346 1065461604 /nfs/dbraw/zinc/46/16/04/1065461604.db2.gz JQKVURSJZXSSTO-GMNCBBECSA-N 2 2 306.538 4.398 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C(C)(C)C)CC1 ZINC001307523346 1065461607 /nfs/dbraw/zinc/46/16/07/1065461607.db2.gz JQKVURSJZXSSTO-GMNCBBECSA-N 2 2 306.538 4.398 20 0 DIADLP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c(C)c1C ZINC001307566492 1065486631 /nfs/dbraw/zinc/48/66/31/1065486631.db2.gz KKELYAXSQJQJBN-IBGZPJMESA-N 2 2 302.506 4.191 20 0 DIADLP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c(C)c1C ZINC001307566492 1065486637 /nfs/dbraw/zinc/48/66/37/1065486637.db2.gz KKELYAXSQJQJBN-IBGZPJMESA-N 2 2 302.506 4.191 20 0 DIADLP Cc1[nH]c(C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)c(C)[nH+]1 ZINC001307671342 1065552952 /nfs/dbraw/zinc/55/29/52/1065552952.db2.gz YQAYAALKEDLEKZ-INIZCTEOSA-N 2 2 319.452 4.337 20 0 DIADLP C[C@](Cc1ccccc1)([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC001307841221 1065647955 /nfs/dbraw/zinc/64/79/55/1065647955.db2.gz ATTRAKJALNDLSI-OAQYLSRUSA-N 2 2 319.452 4.021 20 0 DIADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc21 ZINC001307898932 1065671797 /nfs/dbraw/zinc/67/17/97/1065671797.db2.gz GZSMKVSFOGOAMS-QGZVFWFLSA-N 2 2 317.436 4.034 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc21 ZINC001307898932 1065671803 /nfs/dbraw/zinc/67/18/03/1065671803.db2.gz GZSMKVSFOGOAMS-QGZVFWFLSA-N 2 2 317.436 4.034 20 0 DIADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC001308053462 1065742954 /nfs/dbraw/zinc/74/29/54/1065742954.db2.gz SPJUEOYDFJLMHQ-RBUKOAKNSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC001308053462 1065742964 /nfs/dbraw/zinc/74/29/64/1065742964.db2.gz SPJUEOYDFJLMHQ-RBUKOAKNSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC001308053462 1065742974 /nfs/dbraw/zinc/74/29/74/1065742974.db2.gz SPJUEOYDFJLMHQ-RBUKOAKNSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC001308053462 1065742988 /nfs/dbraw/zinc/74/29/88/1065742988.db2.gz SPJUEOYDFJLMHQ-RBUKOAKNSA-N 2 2 300.490 4.043 20 0 DIADLP Cc1ccccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183392 1065794771 /nfs/dbraw/zinc/79/47/71/1065794771.db2.gz CGOSQBIYHXMMHK-FQEVSTJZSA-N 2 2 308.469 4.138 20 0 DIADLP Cc1ccccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183392 1065794782 /nfs/dbraw/zinc/79/47/82/1065794782.db2.gz CGOSQBIYHXMMHK-FQEVSTJZSA-N 2 2 308.469 4.138 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C)c2Cl)CC1 ZINC001308184418 1065795122 /nfs/dbraw/zinc/79/51/22/1065795122.db2.gz IHAPOFJVNYWZRL-UHFFFAOYSA-N 2 2 315.288 4.266 20 0 DIADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(C)c3)CCCCC2)n1C ZINC001308205650 1065814813 /nfs/dbraw/zinc/81/48/13/1065814813.db2.gz MPKVPDCRXOQARA-UHFFFAOYSA-N 2 2 311.473 4.029 20 0 DIADLP CC[C@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308221058 1065829430 /nfs/dbraw/zinc/82/94/30/1065829430.db2.gz OLZXGBBREQLIFM-HOTGVXAUSA-N 2 2 315.436 4.317 20 0 DIADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001308245503 1065848900 /nfs/dbraw/zinc/84/89/00/1065848900.db2.gz XIJMHBQDGMHSED-UHFFFAOYSA-N 2 2 315.461 4.262 20 0 DIADLP C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360295 1065939571 /nfs/dbraw/zinc/93/95/71/1065939571.db2.gz MCXVQINSCDJPEP-WOMSROEHSA-N 2 2 321.399 4.375 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)[C@H](C)C2 ZINC001308463553 1066004777 /nfs/dbraw/zinc/00/47/77/1066004777.db2.gz FMQKFCBAFURXEE-IERDGZPVSA-N 2 2 317.436 4.204 20 0 DIADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+]3C)cc2)c1 ZINC001308468896 1066009046 /nfs/dbraw/zinc/00/90/46/1066009046.db2.gz SMSZDGOPXYGUSJ-OAQYLSRUSA-N 2 2 308.469 4.154 20 0 DIADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+]3C)cc2)c1 ZINC001308468896 1066009057 /nfs/dbraw/zinc/00/90/57/1066009057.db2.gz SMSZDGOPXYGUSJ-OAQYLSRUSA-N 2 2 308.469 4.154 20 0 DIADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001308548486 1066061910 /nfs/dbraw/zinc/06/19/10/1066061910.db2.gz VYHGWCGVJCOKRX-SXLOBPIMSA-N 2 2 314.517 4.280 20 0 DIADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001308548486 1066061922 /nfs/dbraw/zinc/06/19/22/1066061922.db2.gz VYHGWCGVJCOKRX-SXLOBPIMSA-N 2 2 314.517 4.280 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589343 1066102644 /nfs/dbraw/zinc/10/26/44/1066102644.db2.gz MYJPEOLONNAOOO-QZTJIDSGSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589343 1066102650 /nfs/dbraw/zinc/10/26/50/1066102650.db2.gz MYJPEOLONNAOOO-QZTJIDSGSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589343 1066102657 /nfs/dbraw/zinc/10/26/57/1066102657.db2.gz MYJPEOLONNAOOO-QZTJIDSGSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589343 1066102663 /nfs/dbraw/zinc/10/26/63/1066102663.db2.gz MYJPEOLONNAOOO-QZTJIDSGSA-N 2 2 318.480 4.221 20 0 DIADLP CC(C)(C)CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001308744575 1066220053 /nfs/dbraw/zinc/22/00/53/1066220053.db2.gz MRNCCTHUWYKRST-UHFFFAOYSA-N 2 2 319.880 4.475 20 0 DIADLP CC(C)(C)CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001308744575 1066220062 /nfs/dbraw/zinc/22/00/62/1066220062.db2.gz MRNCCTHUWYKRST-UHFFFAOYSA-N 2 2 319.880 4.475 20 0 DIADLP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001308863751 1066343508 /nfs/dbraw/zinc/34/35/08/1066343508.db2.gz JMCYIUXJHUIUNE-QLOJAFMTSA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001308863751 1066343526 /nfs/dbraw/zinc/34/35/26/1066343526.db2.gz JMCYIUXJHUIUNE-QLOJAFMTSA-N 2 2 312.501 4.238 20 0 DIADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001308888111 1066369642 /nfs/dbraw/zinc/36/96/42/1066369642.db2.gz LMCHMTJBZMSKIS-UWVAXJGDSA-N 2 2 302.506 4.061 20 0 DIADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001308888111 1066369658 /nfs/dbraw/zinc/36/96/58/1066369658.db2.gz LMCHMTJBZMSKIS-UWVAXJGDSA-N 2 2 302.506 4.061 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001308893792 1066374141 /nfs/dbraw/zinc/37/41/41/1066374141.db2.gz FVMPSBHZGVANTC-QHAWAJNXSA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001308893792 1066374158 /nfs/dbraw/zinc/37/41/58/1066374158.db2.gz FVMPSBHZGVANTC-QHAWAJNXSA-N 2 2 312.501 4.238 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308914866 1066393033 /nfs/dbraw/zinc/39/30/33/1066393033.db2.gz GQBDOWRMDZSMIO-HSALFYBXSA-N 2 2 311.473 4.429 20 0 DIADLP Cc1cc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c[nH+]c1C ZINC001308918427 1066397854 /nfs/dbraw/zinc/39/78/54/1066397854.db2.gz LMXNCUCEBPBEAQ-ZVDOUQERSA-N 2 2 321.468 4.163 20 0 DIADLP Cc1cc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c[nH+]c1C ZINC001308918427 1066397869 /nfs/dbraw/zinc/39/78/69/1066397869.db2.gz LMXNCUCEBPBEAQ-ZVDOUQERSA-N 2 2 321.468 4.163 20 0 DIADLP CCc1cccc(Cl)c1C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC001308943954 1066411618 /nfs/dbraw/zinc/41/16/18/1066411618.db2.gz PZZKPFOMXLZLRJ-UHFFFAOYSA-N 2 2 320.908 4.353 20 0 DIADLP CCC(CC)CNc1[nH+]c2ccccc2n1CC[NH+](CC)CC ZINC001308990605 1066434810 /nfs/dbraw/zinc/43/48/10/1066434810.db2.gz ZGSFRRUNBKNKLU-UHFFFAOYSA-N 2 2 316.493 4.226 20 0 DIADLP CCC[C@@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667299 185308758 /nfs/dbraw/zinc/30/87/58/185308758.db2.gz MJDKKHYOYHBSBK-UWVAXJGDSA-N 2 2 317.521 4.411 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000090667855 185308912 /nfs/dbraw/zinc/30/89/12/185308912.db2.gz QLHIAMCRAOZBAV-DLBZAZTESA-N 2 2 315.505 4.165 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl ZINC000020523890 182227235 /nfs/dbraw/zinc/22/72/35/182227235.db2.gz FWAUUHZJKQJTTQ-NDNKKMJESA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl ZINC000020523890 182227237 /nfs/dbraw/zinc/22/72/37/182227237.db2.gz FWAUUHZJKQJTTQ-NDNKKMJESA-N 2 2 313.272 4.269 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1OC ZINC000119656685 195011155 /nfs/dbraw/zinc/01/11/55/195011155.db2.gz PSQHVBSUICSZFF-QGZVFWFLSA-N 2 2 322.880 4.016 20 0 DIADLP Cc1cccn2c(C[NH2+]Cc3ccc4sccc4c3)c[nH+]c12 ZINC000563844175 335047634 /nfs/dbraw/zinc/04/76/34/335047634.db2.gz XYAXWTQMVIHSCQ-UHFFFAOYSA-N 2 2 307.422 4.147 20 0 DIADLP c1cn(CCC[NH+]2CCC(c3cccc4ccccc43)CC2)c[nH+]1 ZINC000343313502 335064048 /nfs/dbraw/zinc/06/40/48/335064048.db2.gz JFNIIEPTPPARFB-UHFFFAOYSA-N 2 2 319.452 4.306 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000275311705 130303808 /nfs/dbraw/zinc/30/38/08/130303808.db2.gz RQOBWCUUJFHEHN-UHFFFAOYSA-N 2 2 316.489 4.136 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)C[C@H]1c1ccccc1 ZINC000340176412 131001162 /nfs/dbraw/zinc/00/11/62/131001162.db2.gz YNYPNLAAWMBAGG-UHOSZYNNSA-N 2 2 310.441 4.082 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)C[C@H]1c1ccccc1 ZINC000340176412 131001163 /nfs/dbraw/zinc/00/11/63/131001163.db2.gz YNYPNLAAWMBAGG-UHOSZYNNSA-N 2 2 310.441 4.082 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)C[C@@H]1c1ccccc1 ZINC000340176411 131001385 /nfs/dbraw/zinc/00/13/85/131001385.db2.gz YNYPNLAAWMBAGG-QXAKKESOSA-N 2 2 310.441 4.082 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)C[C@@H]1c1ccccc1 ZINC000340176411 131001386 /nfs/dbraw/zinc/00/13/86/131001386.db2.gz YNYPNLAAWMBAGG-QXAKKESOSA-N 2 2 310.441 4.082 20 0 DIADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000285834870 131204629 /nfs/dbraw/zinc/20/46/29/131204629.db2.gz XBEGWHNHTMQVIL-GOSISDBHSA-N 2 2 323.484 4.014 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000289209911 131366017 /nfs/dbraw/zinc/36/60/17/131366017.db2.gz IMPKUGRGPZCAMM-HUUCEWRRSA-N 2 2 300.368 4.033 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000179837650 331546891 /nfs/dbraw/zinc/54/68/91/331546891.db2.gz RFUIQQWEVFIDHX-UHFFFAOYSA-N 2 2 316.420 4.048 20 0 DIADLP Clc1ccc([C@@H]2CCCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000556519284 331714009 /nfs/dbraw/zinc/71/40/09/331714009.db2.gz LPTHGFPHHYUASY-ZWKOTPCHSA-N 2 2 317.864 4.243 20 0 DIADLP C[NH+](C)[C@H](CNc1cc[nH+]c2c(Cl)cccc12)c1ccco1 ZINC000557477925 331793051 /nfs/dbraw/zinc/79/30/51/331793051.db2.gz WZWRXJNSPGANAE-OAHLLOKOSA-N 2 2 315.804 4.196 20 0 DIADLP F[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000584231498 331872873 /nfs/dbraw/zinc/87/28/73/331872873.db2.gz YPNAAOIVAJGCLM-RDJZCZTQSA-N 2 2 324.871 4.175 20 0 DIADLP CSCc1cc(F)ccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000558402900 331902657 /nfs/dbraw/zinc/90/26/57/331902657.db2.gz NPAFDIYUCHJSNE-UHFFFAOYSA-N 2 2 318.461 4.115 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H]3CC=CCC3)ccc2n1C1CC1 ZINC000558782173 331942779 /nfs/dbraw/zinc/94/27/79/331942779.db2.gz HTGIAKWDMDWQAI-OAHLLOKOSA-N 2 2 309.457 4.380 20 0 DIADLP Cc1cccn2c(C[NH2+]Cc3ccc(C(C)(F)F)cc3)c[nH+]c12 ZINC000559308077 332021775 /nfs/dbraw/zinc/02/17/75/332021775.db2.gz DDSFBHKTHPSADR-UHFFFAOYSA-N 2 2 315.367 4.044 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000569532596 332127186 /nfs/dbraw/zinc/12/71/86/332127186.db2.gz YJHZSVFHTZNLDJ-UHFFFAOYSA-N 2 2 317.436 4.174 20 0 DIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cccnc2)CCCC1)c1ccccc1 ZINC000092751310 332130405 /nfs/dbraw/zinc/13/04/05/332130405.db2.gz CFNYCJFUNCSIMM-ZWKOTPCHSA-N 2 2 323.484 4.396 20 0 DIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccnc1 ZINC000092751312 332130497 /nfs/dbraw/zinc/13/04/97/332130497.db2.gz CFNYCJFUNCSIMM-MSOLQXFVSA-N 2 2 323.484 4.396 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)CCC2 ZINC000363757321 332241561 /nfs/dbraw/zinc/24/15/61/332241561.db2.gz LIFAGEHCKGFPMY-IAGOWNOFSA-N 2 2 311.473 4.025 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000559740540 332278439 /nfs/dbraw/zinc/27/84/39/332278439.db2.gz KMKAXXKRCHTECJ-DJABAAGCSA-N 2 2 324.468 4.328 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000559740540 332278440 /nfs/dbraw/zinc/27/84/40/332278440.db2.gz KMKAXXKRCHTECJ-DJABAAGCSA-N 2 2 324.468 4.328 20 0 DIADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000518747649 332303178 /nfs/dbraw/zinc/30/31/78/332303178.db2.gz QGYJKALJRQQQSB-UHFFFAOYSA-N 2 2 320.864 4.277 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000560246758 332323152 /nfs/dbraw/zinc/32/31/52/332323152.db2.gz SISQZNUJUGXIOQ-ZFWWWQNUSA-N 2 2 322.880 4.015 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000560246758 332323153 /nfs/dbraw/zinc/32/31/53/332323153.db2.gz SISQZNUJUGXIOQ-ZFWWWQNUSA-N 2 2 322.880 4.015 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000560246751 332323169 /nfs/dbraw/zinc/32/31/69/332323169.db2.gz SISQZNUJUGXIOQ-DZGCQCFKSA-N 2 2 322.880 4.015 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000560246751 332323170 /nfs/dbraw/zinc/32/31/70/332323170.db2.gz SISQZNUJUGXIOQ-DZGCQCFKSA-N 2 2 322.880 4.015 20 0 DIADLP CCCOC1(C[NH2+]CCCc2c[nH+]ccc2C)CCCCC1 ZINC000560348957 332333268 /nfs/dbraw/zinc/33/32/68/332333268.db2.gz FWXDYMQWTXZYQV-UHFFFAOYSA-N 2 2 304.478 4.042 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000560389178 332336362 /nfs/dbraw/zinc/33/63/62/332336362.db2.gz VTFCGOQSAFSWPM-VXGBXAGGSA-N 2 2 324.255 4.277 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000560389178 332336364 /nfs/dbraw/zinc/33/63/64/332336364.db2.gz VTFCGOQSAFSWPM-VXGBXAGGSA-N 2 2 324.255 4.277 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000427538899 332446393 /nfs/dbraw/zinc/44/63/93/332446393.db2.gz ZJFQJRRIHVZSIH-SFHVURJKSA-N 2 2 312.482 4.376 20 0 DIADLP CC[C@H]1CCCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000181738947 332478181 /nfs/dbraw/zinc/47/81/81/332478181.db2.gz GNELAYMSNFSWET-RBUKOAKNSA-N 2 2 311.473 4.032 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(-c2ccccc2)c1 ZINC000151109811 332518257 /nfs/dbraw/zinc/51/82/57/332518257.db2.gz GBHJZPOSEDGMQD-QGZVFWFLSA-N 2 2 305.425 4.291 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000561960026 332521690 /nfs/dbraw/zinc/52/16/90/332521690.db2.gz KBDXVIRMDVXXFL-UHFFFAOYSA-N 2 2 322.374 4.440 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427871303 332551742 /nfs/dbraw/zinc/55/17/42/332551742.db2.gz AGNIGWFJOGGKOB-LSDHHAIUSA-N 2 2 323.440 4.166 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000151327464 332571885 /nfs/dbraw/zinc/57/18/85/332571885.db2.gz ADNXQMBZCQFJSU-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000314075440 333085885 /nfs/dbraw/zinc/08/58/85/333085885.db2.gz UNSRSKLFBPXIHL-ZDUSSCGKSA-N 2 2 313.832 4.349 20 0 DIADLP Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000462733031 333099157 /nfs/dbraw/zinc/09/91/57/333099157.db2.gz GIJXYWUMIVPJKU-GOSISDBHSA-N 2 2 319.452 4.210 20 0 DIADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000314354395 333104691 /nfs/dbraw/zinc/10/46/91/333104691.db2.gz LZEWDLXQUBKYMB-QZTJIDSGSA-N 2 2 312.482 4.116 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C ZINC000518774484 333110381 /nfs/dbraw/zinc/11/03/81/333110381.db2.gz KVONYLYNCVFVML-WIYYLYMNSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C ZINC000518774484 333110382 /nfs/dbraw/zinc/11/03/82/333110382.db2.gz KVONYLYNCVFVML-WIYYLYMNSA-N 2 2 308.469 4.229 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500423779 333241065 /nfs/dbraw/zinc/24/10/65/333241065.db2.gz AWAUJZDDQDOFKI-QAPCUYQASA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500423779 333241066 /nfs/dbraw/zinc/24/10/66/333241066.db2.gz AWAUJZDDQDOFKI-QAPCUYQASA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000390304374 333263770 /nfs/dbraw/zinc/26/37/70/333263770.db2.gz MDDNUGOBGJJNPR-IRXDYDNUSA-N 2 2 305.425 4.289 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000390304375 333263840 /nfs/dbraw/zinc/26/38/40/333263840.db2.gz MDDNUGOBGJJNPR-SJORKVTESA-N 2 2 305.425 4.289 20 0 DIADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000390498625 333286216 /nfs/dbraw/zinc/28/62/16/333286216.db2.gz KEECWEDOYYFQLL-NZSAHSFTSA-N 2 2 315.505 4.101 20 0 DIADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390564914 333300936 /nfs/dbraw/zinc/30/09/36/333300936.db2.gz ORWWFJCDFSUDGQ-PXNSSMCTSA-N 2 2 324.468 4.010 20 0 DIADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390564914 333300938 /nfs/dbraw/zinc/30/09/38/333300938.db2.gz ORWWFJCDFSUDGQ-PXNSSMCTSA-N 2 2 324.468 4.010 20 0 DIADLP CSc1ccc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000390578636 333302521 /nfs/dbraw/zinc/30/25/21/333302521.db2.gz GELBNFQPWMJJCH-INIZCTEOSA-N 2 2 314.498 4.019 20 0 DIADLP CSc1ccc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000390578636 333302522 /nfs/dbraw/zinc/30/25/22/333302522.db2.gz GELBNFQPWMJJCH-INIZCTEOSA-N 2 2 314.498 4.019 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000221740893 333365208 /nfs/dbraw/zinc/36/52/08/333365208.db2.gz NMYBCUXBSCIRSZ-DMDPSCGWSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000221740893 333365210 /nfs/dbraw/zinc/36/52/10/333365210.db2.gz NMYBCUXBSCIRSZ-DMDPSCGWSA-N 2 2 301.261 4.127 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000121366485 333386046 /nfs/dbraw/zinc/38/60/46/333386046.db2.gz JFOMGJHDAYZOQO-KRWDZBQOSA-N 2 2 309.457 4.018 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000525802599 333404873 /nfs/dbraw/zinc/40/48/73/333404873.db2.gz DMTUQHZWRPMGBM-INIZCTEOSA-N 2 2 323.440 4.131 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000563574826 333628449 /nfs/dbraw/zinc/62/84/49/333628449.db2.gz SGLIIEAGTKESJA-FXAWDEMLSA-N 2 2 323.484 4.056 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000343475286 335168003 /nfs/dbraw/zinc/16/80/03/335168003.db2.gz JZQGVXDALPUYQY-KXBFYZLASA-N 2 2 303.409 4.210 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000343475284 335168017 /nfs/dbraw/zinc/16/80/17/335168017.db2.gz JZQGVXDALPUYQY-DNVCBOLYSA-N 2 2 303.409 4.210 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000343474237 335168188 /nfs/dbraw/zinc/16/81/88/335168188.db2.gz IRRISIIRTCJVQX-FOIQADDNSA-N 2 2 303.409 4.210 20 0 DIADLP COc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1Cl ZINC000414552947 334016400 /nfs/dbraw/zinc/01/64/00/334016400.db2.gz RVAQALWJQHEABM-UHFFFAOYSA-N 2 2 318.848 4.117 20 0 DIADLP COc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1Cl ZINC000414552947 334016401 /nfs/dbraw/zinc/01/64/01/334016401.db2.gz RVAQALWJQHEABM-UHFFFAOYSA-N 2 2 318.848 4.117 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414828819 334110265 /nfs/dbraw/zinc/11/02/65/334110265.db2.gz JKURSNBLOGZTBU-SWLSCSKDSA-N 2 2 308.878 4.012 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CCC(F)(F)F)cc1 ZINC000414850495 334123251 /nfs/dbraw/zinc/12/32/51/334123251.db2.gz SJNBEVFGSUNKTC-DOMZBBRYSA-N 2 2 302.384 4.130 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CCC(F)(F)F)cc1 ZINC000414850501 334123300 /nfs/dbraw/zinc/12/33/00/334123300.db2.gz SJNBEVFGSUNKTC-WFASDCNBSA-N 2 2 302.384 4.130 20 0 DIADLP c1cn(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000343578307 335178885 /nfs/dbraw/zinc/17/88/85/335178885.db2.gz FEDVIVABIYRLOT-OAQYLSRUSA-N 2 2 319.452 4.237 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291108993 334176730 /nfs/dbraw/zinc/17/67/30/334176730.db2.gz KEPYNKSYYXKYDW-MRXNPFEDSA-N 2 2 314.395 4.144 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000187752705 334271953 /nfs/dbraw/zinc/27/19/53/334271953.db2.gz ZWBLJQIVKFYFTM-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C)CC3)cc2)c2[nH+]ccn21 ZINC000296329199 334231871 /nfs/dbraw/zinc/23/18/71/334231871.db2.gz GEJYVZSESOUYQY-QAPCUYQASA-N 2 2 310.445 4.237 20 0 DIADLP Clc1scc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000415041917 334260965 /nfs/dbraw/zinc/26/09/65/334260965.db2.gz LWNLPFLDRSBAAM-PWSUYJOCSA-N 2 2 319.301 4.019 20 0 DIADLP Clc1scc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000415041917 334260967 /nfs/dbraw/zinc/26/09/67/334260967.db2.gz LWNLPFLDRSBAAM-PWSUYJOCSA-N 2 2 319.301 4.019 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000534471242 334267597 /nfs/dbraw/zinc/26/75/97/334267597.db2.gz AQLNXNXMGNOLGV-LJQANCHMSA-N 2 2 319.452 4.052 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000534471242 334267598 /nfs/dbraw/zinc/26/75/98/334267598.db2.gz AQLNXNXMGNOLGV-LJQANCHMSA-N 2 2 319.452 4.052 20 0 DIADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415107543 334281671 /nfs/dbraw/zinc/28/16/71/334281671.db2.gz JCUPASKHJHSMST-YVWKXTFCSA-N 2 2 324.468 4.148 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000531941072 334301838 /nfs/dbraw/zinc/30/18/38/334301838.db2.gz JJECAJCWQRUZNH-HXUWFJFHSA-N 2 2 311.473 4.380 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000531941071 334301859 /nfs/dbraw/zinc/30/18/59/334301859.db2.gz JJECAJCWQRUZNH-FQEVSTJZSA-N 2 2 311.473 4.380 20 0 DIADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000531941864 334301875 /nfs/dbraw/zinc/30/18/75/334301875.db2.gz LFKDVMFDEWJUKP-KRWDZBQOSA-N 2 2 313.832 4.271 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000531947861 334302491 /nfs/dbraw/zinc/30/24/91/334302491.db2.gz FSHHASAPASHTKH-MRXNPFEDSA-N 2 2 307.441 4.394 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(-c2ccncc2)c1 ZINC000531957470 334313411 /nfs/dbraw/zinc/31/34/11/334313411.db2.gz KYKBESWDONAQBD-KRWDZBQOSA-N 2 2 320.440 4.076 20 0 DIADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534977589 334351534 /nfs/dbraw/zinc/35/15/34/334351534.db2.gz WIGXCPYSCRIQLI-KBXCAEBGSA-N 2 2 324.871 4.394 20 0 DIADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534977589 334351535 /nfs/dbraw/zinc/35/15/35/334351535.db2.gz WIGXCPYSCRIQLI-KBXCAEBGSA-N 2 2 324.871 4.394 20 0 DIADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1ccsc1 ZINC000050338521 334381993 /nfs/dbraw/zinc/38/19/93/334381993.db2.gz BEVCOLPRRKBSPX-MAUKXSAKSA-N 2 2 300.471 4.236 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000341642892 334468010 /nfs/dbraw/zinc/46/80/10/334468010.db2.gz PTOBUWCPQAOMQF-MRXNPFEDSA-N 2 2 307.397 4.026 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CCC2 ZINC000342318752 334532235 /nfs/dbraw/zinc/53/22/35/334532235.db2.gz IKSQSJWCLUZUKI-LJQANCHMSA-N 2 2 323.465 4.409 20 0 DIADLP CSCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000189483585 334897518 /nfs/dbraw/zinc/89/75/18/334897518.db2.gz FDMFHSXIGSJQCB-UHFFFAOYSA-N 2 2 323.465 4.025 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000165394258 334916476 /nfs/dbraw/zinc/91/64/76/334916476.db2.gz RJBGSMKCOSESEN-HNNXBMFYSA-N 2 2 316.420 4.042 20 0 DIADLP c1c(CC[NH2+][C@H](CC2CCC2)c2ccccc2)[nH+]c2ccccn12 ZINC000344033717 335210744 /nfs/dbraw/zinc/21/07/44/335210744.db2.gz MAGAWLCXABBEFZ-HXUWFJFHSA-N 2 2 319.452 4.398 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000344077251 335215697 /nfs/dbraw/zinc/21/56/97/335215697.db2.gz ZBPDWKJBVGWUNE-LJQANCHMSA-N 2 2 321.399 4.179 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(CC(C)C)cc1)CCC2 ZINC000344524284 335255072 /nfs/dbraw/zinc/25/50/72/335255072.db2.gz YGORWCBAEXPINY-LJQANCHMSA-N 2 2 311.473 4.057 20 0 DIADLP CC[NH+](CC)Cc1ccc(NCc2c[nH+]c3cccc(C)n23)cc1 ZINC000345472751 335328132 /nfs/dbraw/zinc/32/81/32/335328132.db2.gz ZHEKKUJSPCBCEV-UHFFFAOYSA-N 2 2 322.456 4.097 20 0 DIADLP C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346148164 335381982 /nfs/dbraw/zinc/38/19/82/335381982.db2.gz WEUURQNWEBWLSD-AWEZNQCLSA-N 2 2 309.438 4.053 20 0 DIADLP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346148164 335381984 /nfs/dbraw/zinc/38/19/84/335381984.db2.gz WEUURQNWEBWLSD-AWEZNQCLSA-N 2 2 309.438 4.053 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346156102 335382761 /nfs/dbraw/zinc/38/27/61/335382761.db2.gz AKRSONGXDJGWEB-RHSMWYFYSA-N 2 2 301.459 4.088 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346156102 335382762 /nfs/dbraw/zinc/38/27/62/335382762.db2.gz AKRSONGXDJGWEB-RHSMWYFYSA-N 2 2 301.459 4.088 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346156103 335383319 /nfs/dbraw/zinc/38/33/19/335383319.db2.gz AKRSONGXDJGWEB-WMLDXEAASA-N 2 2 301.459 4.088 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346156103 335383320 /nfs/dbraw/zinc/38/33/20/335383320.db2.gz AKRSONGXDJGWEB-WMLDXEAASA-N 2 2 301.459 4.088 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000346353231 335397365 /nfs/dbraw/zinc/39/73/65/335397365.db2.gz RNNNPCCTBWZJOS-INIZCTEOSA-N 2 2 324.255 4.335 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000346353231 335397366 /nfs/dbraw/zinc/39/73/66/335397366.db2.gz RNNNPCCTBWZJOS-INIZCTEOSA-N 2 2 324.255 4.335 20 0 DIADLP CCOc1ccccc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162908697 338491961 /nfs/dbraw/zinc/49/19/61/338491961.db2.gz NGPXMUXWZDUZLB-MRXNPFEDSA-N 2 2 313.445 4.023 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000323817791 335632141 /nfs/dbraw/zinc/63/21/41/335632141.db2.gz CVVVWOIXKBJVQL-UWJYYQICSA-N 2 2 324.468 4.183 20 0 DIADLP COc1cccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000323825344 335642622 /nfs/dbraw/zinc/64/26/22/335642622.db2.gz GCDLLOZRDWDCTH-DYESRHJHSA-N 2 2 324.468 4.183 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)c3c1cccc3C)CCC2 ZINC000349249310 335658752 /nfs/dbraw/zinc/65/87/52/335658752.db2.gz TXTZWCFOAHLYJP-QILLFSRXSA-N 2 2 309.457 4.215 20 0 DIADLP CCSc1cccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000349603603 335684073 /nfs/dbraw/zinc/68/40/73/335684073.db2.gz XIDNAASSWNBXQU-UHFFFAOYSA-N 2 2 323.465 4.274 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3c(C)ccc(C)c31)CCC2 ZINC000349814868 335702710 /nfs/dbraw/zinc/70/27/10/335702710.db2.gz WKDLPGZJMPJLBB-IEBWSBKVSA-N 2 2 323.484 4.353 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000583660964 336035410 /nfs/dbraw/zinc/03/54/10/336035410.db2.gz UNPMRAQPUBPLEW-FPOVZHCZSA-N 2 2 308.469 4.324 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000583660966 336035500 /nfs/dbraw/zinc/03/55/00/336035500.db2.gz UNPMRAQPUBPLEW-TZIWHRDSSA-N 2 2 308.469 4.324 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc2occc2c1 ZINC000352257391 336207458 /nfs/dbraw/zinc/20/74/58/336207458.db2.gz TYGQOJYSOOYMSP-UHFFFAOYSA-N 2 2 319.408 4.271 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000352368035 336214617 /nfs/dbraw/zinc/21/46/17/336214617.db2.gz DMAKICPCFFPBDI-OAHLLOKOSA-N 2 2 314.404 4.134 20 0 DIADLP CC(C)C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccs1 ZINC000352765329 336233893 /nfs/dbraw/zinc/23/38/93/336233893.db2.gz MXLVRTYQKBJVDT-CQSZACIVSA-N 2 2 323.531 4.143 20 0 DIADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000352768420 336234058 /nfs/dbraw/zinc/23/40/58/336234058.db2.gz FNCIAHXRUUDJEE-HNNXBMFYSA-N 2 2 323.893 4.099 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629490 336236544 /nfs/dbraw/zinc/23/65/44/336236544.db2.gz UGNUXWHIOXNTGZ-XLIONFOSSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629490 336236545 /nfs/dbraw/zinc/23/65/45/336236545.db2.gz UGNUXWHIOXNTGZ-XLIONFOSSA-N 2 2 320.480 4.033 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000352790791 336236795 /nfs/dbraw/zinc/23/67/95/336236795.db2.gz VYPNDFBBWPUUMM-IBGZPJMESA-N 2 2 309.388 4.252 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC(c3ccccc3F)CC2)c[nH+]1 ZINC000526970581 336277335 /nfs/dbraw/zinc/27/73/35/336277335.db2.gz MGZKKHIAINQKRF-UHFFFAOYSA-N 2 2 312.432 4.341 20 0 DIADLP CCc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301786010 336329755 /nfs/dbraw/zinc/32/97/55/336329755.db2.gz LCSJZULLTIWXCP-QRWLVFNGSA-N 2 2 320.440 4.081 20 0 DIADLP c1ccc2[nH+]c(NCc3ccccc3C[NH+]3CCCCC3)[nH]c2c1 ZINC000301873863 336335543 /nfs/dbraw/zinc/33/55/43/336335543.db2.gz JNZFYJHDNLDNEZ-UHFFFAOYSA-N 2 2 320.440 4.161 20 0 DIADLP c1cn([C@@H]2CCc3ccccc3[C@H]2[NH2+]CC2CCCCC2)c[nH+]1 ZINC000514635034 336386994 /nfs/dbraw/zinc/38/69/94/336386994.db2.gz PWUSQPIOKSUZRX-WOJBJXKFSA-N 2 2 309.457 4.282 20 0 DIADLP Cc1ccc(CCC[NH2+]C2CCC(C(F)(F)F)CC2)c[nH+]1 ZINC000353931951 336449409 /nfs/dbraw/zinc/44/94/09/336449409.db2.gz RGIPPTJZBNLMPN-UHFFFAOYSA-N 2 2 300.368 4.033 20 0 DIADLP Cc1ccc(CCC[NH2+]CCCSc2ccccc2)c[nH+]1 ZINC000353940936 336450273 /nfs/dbraw/zinc/45/02/73/336450273.db2.gz DOAKBIIFSXPDEK-UHFFFAOYSA-N 2 2 300.471 4.095 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccc(-c3cccnc3)cc2)c[nH+]1 ZINC000354400636 336469515 /nfs/dbraw/zinc/46/95/15/336469515.db2.gz GWUSTBMVRSRNSO-UHFFFAOYSA-N 2 2 317.436 4.174 20 0 DIADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cccs2)CC1 ZINC000355485474 336511284 /nfs/dbraw/zinc/51/12/84/336511284.db2.gz LUYVVJPGQZCTQI-UHFFFAOYSA-N 2 2 311.454 4.243 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(C)cc1 ZINC000358237741 336618725 /nfs/dbraw/zinc/61/87/25/336618725.db2.gz WTDHJJQORGHLSN-NRFANRHFSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1[nH+]cc(CNc2cc3c(c[nH+]2)CCCC3)n1-c1ccccc1 ZINC000359469310 336674211 /nfs/dbraw/zinc/67/42/11/336674211.db2.gz GKPQHKFOOOMAFR-UHFFFAOYSA-N 2 2 318.424 4.067 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC(C)(C)c3ccccc31)CCC2 ZINC000360645774 336717135 /nfs/dbraw/zinc/71/71/35/336717135.db2.gz FRSDJBUTUCCLJY-QFBILLFUSA-N 2 2 323.484 4.471 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H]2CCCOc3ccccc32)[NH+](C)C)cc1 ZINC000360856410 336724649 /nfs/dbraw/zinc/72/46/49/336724649.db2.gz GSUUDSYYGNINNL-PMACEKPBSA-N 2 2 324.468 4.101 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000361481011 336758437 /nfs/dbraw/zinc/75/84/37/336758437.db2.gz IQPUMMGFRUEHKM-LJQANCHMSA-N 2 2 309.388 4.252 20 0 DIADLP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000361663109 336767907 /nfs/dbraw/zinc/76/79/07/336767907.db2.gz SUBHKWVXJOPNSR-OALUTQOASA-N 2 2 311.473 4.372 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1Cl ZINC000367438957 336822670 /nfs/dbraw/zinc/82/26/70/336822670.db2.gz QNDYZZWRJHBLBI-LLVKDONJSA-N 2 2 324.255 4.377 20 0 DIADLP CCC[C@H](C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000371507120 336906582 /nfs/dbraw/zinc/90/65/82/336906582.db2.gz YAPXSWCHVHSDBZ-MOPGFXCFSA-N 2 2 311.473 4.242 20 0 DIADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000375840223 337020921 /nfs/dbraw/zinc/02/09/21/337020921.db2.gz OOSNXIHAUMSWRL-MSOLQXFVSA-N 2 2 323.484 4.266 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccsc1 ZINC000178245292 337161571 /nfs/dbraw/zinc/16/15/71/337161571.db2.gz GNHWMKFTUMUFFW-AWEZNQCLSA-N 2 2 318.461 4.202 20 0 DIADLP FC(F)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000185171462 337202506 /nfs/dbraw/zinc/20/25/06/337202506.db2.gz YJJCTCKDZGSCEZ-UHFFFAOYSA-N 2 2 313.351 4.100 20 0 DIADLP COCCCC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000583202053 337268607 /nfs/dbraw/zinc/26/86/07/337268607.db2.gz NMHAQWJIGCGKDJ-FQEVSTJZSA-N 2 2 312.457 4.080 20 0 DIADLP Cc1ccccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321695614 337283494 /nfs/dbraw/zinc/28/34/94/337283494.db2.gz KTCRYBUTWXXQKV-KRWDZBQOSA-N 2 2 305.425 4.074 20 0 DIADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C3CC3)cc2)n1-c1ccccc1 ZINC000191682473 337300409 /nfs/dbraw/zinc/30/04/09/337300409.db2.gz BFFFSZMWCWSJCT-UHFFFAOYSA-N 2 2 317.436 4.348 20 0 DIADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000321938766 337305875 /nfs/dbraw/zinc/30/58/75/337305875.db2.gz MCFUUSDBCOWGSG-RTBURBONSA-N 2 2 310.441 4.084 20 0 DIADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000321985554 337309472 /nfs/dbraw/zinc/30/94/72/337309472.db2.gz JZFBNLHCVPMYDP-JVPBZIDWSA-N 2 2 310.441 4.269 20 0 DIADLP C[C@H]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301900371 337386340 /nfs/dbraw/zinc/38/63/40/337386340.db2.gz YZTWYLBVJXQJNG-DOTOQJQBSA-N 2 2 320.440 4.028 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CC1(OC)CCC1)c1ccccc1 ZINC000429359610 337441629 /nfs/dbraw/zinc/44/16/29/337441629.db2.gz BTFBPSKJASVBRT-IEBWSBKVSA-N 2 2 318.505 4.007 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)n1-c1ccccc1 ZINC000237858138 337469630 /nfs/dbraw/zinc/46/96/30/337469630.db2.gz PXAKWASXNKHVKW-GHTZIAJQSA-N 2 2 317.436 4.074 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000245513121 337473525 /nfs/dbraw/zinc/47/35/25/337473525.db2.gz BUUWZYIHGDBLAX-KURKYZTESA-N 2 2 315.505 4.023 20 0 DIADLP c1cn(Cc2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)c[nH+]1 ZINC000421323398 337526362 /nfs/dbraw/zinc/52/63/62/337526362.db2.gz GGYDIVUGFWVSTF-UHFFFAOYSA-N 2 2 317.436 4.099 20 0 DIADLP C[C@H]([NH2+][C@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422935207 337692198 /nfs/dbraw/zinc/69/21/98/337692198.db2.gz DJBVQKOROLLLRP-MJEQTWJJSA-N 2 2 320.889 4.221 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)sc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000423215647 337704708 /nfs/dbraw/zinc/70/47/08/337704708.db2.gz NGUFEFXPYJAZEY-KXUCPTDWSA-N 2 2 307.290 4.094 20 0 DIADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423290986 337709899 /nfs/dbraw/zinc/70/98/99/337709899.db2.gz GFLVAZFQYFSQFV-GFCCVEGCSA-N 2 2 321.465 4.117 20 0 DIADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423300173 337711098 /nfs/dbraw/zinc/71/10/98/337711098.db2.gz RAHLVCYSMUPTGD-QWHCGFSZSA-N 2 2 321.465 4.117 20 0 DIADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423337608 337712738 /nfs/dbraw/zinc/71/27/38/337712738.db2.gz YNAYBHRCEKBPEL-HQJQHLMTSA-N 2 2 307.652 4.035 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423398235 337715406 /nfs/dbraw/zinc/71/54/06/337715406.db2.gz OPMZYXXTRSDSME-HOTUBEGUSA-N 2 2 321.679 4.295 20 0 DIADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)Cc1ccsc1)[NH+](C)C ZINC000527488878 337745760 /nfs/dbraw/zinc/74/57/60/337745760.db2.gz GHOVCYNGPSPGMV-FCEWJHQRSA-N 2 2 316.514 4.269 20 0 DIADLP COc1ccccc1[C@H]([NH2+]CCc1cc[nH+]cc1C)C1CCCC1 ZINC000537013170 337863094 /nfs/dbraw/zinc/86/30/94/337863094.db2.gz SQRHLTJOIUNVNB-OAQYLSRUSA-N 2 2 324.468 4.462 20 0 DIADLP Clc1cccc([C@@H]2CC[C@H]([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000515217191 337982992 /nfs/dbraw/zinc/98/29/92/337982992.db2.gz ZZBUSHCMAMZANE-AEFFLSMTSA-N 2 2 317.864 4.243 20 0 DIADLP C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426374156 338029471 /nfs/dbraw/zinc/02/94/71/338029471.db2.gz VVEBFBOIPIDEOS-YBEGLDIGSA-N 2 2 323.465 4.469 20 0 DIADLP C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426374156 338029472 /nfs/dbraw/zinc/02/94/72/338029472.db2.gz VVEBFBOIPIDEOS-YBEGLDIGSA-N 2 2 323.465 4.469 20 0 DIADLP Cc1ccc(CCC[NH2+]C[C@H](Nc2ccccc2)C(C)C)c[nH+]1 ZINC000428274097 338045182 /nfs/dbraw/zinc/04/51/82/338045182.db2.gz HHMRJVTVFNXRBA-FQEVSTJZSA-N 2 2 311.473 4.049 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1oc(C(C)C)nc1C ZINC000428443342 338051867 /nfs/dbraw/zinc/05/18/67/338051867.db2.gz YHUYOQPJWXKBRW-IRXDYDNUSA-N 2 2 321.509 4.097 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429016229 338068828 /nfs/dbraw/zinc/06/88/28/338068828.db2.gz BHFSFNLSMWSGLL-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429016229 338068829 /nfs/dbraw/zinc/06/88/29/338068829.db2.gz BHFSFNLSMWSGLL-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429016229 338068830 /nfs/dbraw/zinc/06/88/30/338068830.db2.gz BHFSFNLSMWSGLL-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429016229 338068831 /nfs/dbraw/zinc/06/88/31/338068831.db2.gz BHFSFNLSMWSGLL-LRDDRELGSA-N 2 2 313.272 4.082 20 0 DIADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000430698152 338111604 /nfs/dbraw/zinc/11/16/04/338111604.db2.gz CEJBCETWNIPPSA-DBVUQKKJSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000431624826 338134863 /nfs/dbraw/zinc/13/48/63/338134863.db2.gz XLBLPOWUWVJPFS-CVEARBPZSA-N 2 2 315.486 4.160 20 0 DIADLP C[C@H](CCSc1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000431624826 338134864 /nfs/dbraw/zinc/13/48/64/338134864.db2.gz XLBLPOWUWVJPFS-CVEARBPZSA-N 2 2 315.486 4.160 20 0 DIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432249374 338150697 /nfs/dbraw/zinc/15/06/97/338150697.db2.gz FEBUNJFFGUVYHV-LLVKDONJSA-N 2 2 321.317 4.265 20 0 DIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432249374 338150698 /nfs/dbraw/zinc/15/06/98/338150698.db2.gz FEBUNJFFGUVYHV-LLVKDONJSA-N 2 2 321.317 4.265 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432753965 338166554 /nfs/dbraw/zinc/16/65/54/338166554.db2.gz HJKZGFSALZHMLN-JQWIXIFHSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432753965 338166555 /nfs/dbraw/zinc/16/65/55/338166555.db2.gz HJKZGFSALZHMLN-JQWIXIFHSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753965 338166556 /nfs/dbraw/zinc/16/65/56/338166556.db2.gz HJKZGFSALZHMLN-JQWIXIFHSA-N 2 2 319.251 4.047 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC[NH+]1C ZINC000432753965 338166557 /nfs/dbraw/zinc/16/65/57/338166557.db2.gz HJKZGFSALZHMLN-JQWIXIFHSA-N 2 2 319.251 4.047 20 0 DIADLP CCC[C@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000433148890 338182998 /nfs/dbraw/zinc/18/29/98/338182998.db2.gz CBUAFTJWWHZEQH-RBUKOAKNSA-N 2 2 311.473 4.032 20 0 DIADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433306318 338190790 /nfs/dbraw/zinc/19/07/90/338190790.db2.gz SALSJBCCJUSSBV-SUMWQHHRSA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433306318 338190791 /nfs/dbraw/zinc/19/07/91/338190791.db2.gz SALSJBCCJUSSBV-SUMWQHHRSA-N 2 2 324.871 4.250 20 0 DIADLP COc1cccc2c(NCc3[nH+]ccn3CC(C)C)cc(C)[nH+]c12 ZINC000433406046 338194770 /nfs/dbraw/zinc/19/47/70/338194770.db2.gz LIOSCNISJJYPCR-UHFFFAOYSA-N 2 2 324.428 4.016 20 0 DIADLP Clc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000435060570 338231621 /nfs/dbraw/zinc/23/16/21/338231621.db2.gz ZKJLOIULFFZKIP-CQSZACIVSA-N 2 2 323.223 4.042 20 0 DIADLP Clc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000435060570 338231622 /nfs/dbraw/zinc/23/16/22/338231622.db2.gz ZKJLOIULFFZKIP-CQSZACIVSA-N 2 2 323.223 4.042 20 0 DIADLP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000435268109 338235801 /nfs/dbraw/zinc/23/58/01/338235801.db2.gz CUKWQAZSZPFXDL-IBGZPJMESA-N 2 2 311.404 4.303 20 0 DIADLP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000435268109 338235802 /nfs/dbraw/zinc/23/58/02/338235802.db2.gz CUKWQAZSZPFXDL-IBGZPJMESA-N 2 2 311.404 4.303 20 0 DIADLP Fc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000435730561 338246611 /nfs/dbraw/zinc/24/66/11/338246611.db2.gz FNSKMZJDMZGAKD-UAPYVXQJSA-N 2 2 321.399 4.047 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788519 338249301 /nfs/dbraw/zinc/24/93/01/338249301.db2.gz FIAKHWWMOQFZAN-MVWVFHAYSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788519 338249302 /nfs/dbraw/zinc/24/93/02/338249302.db2.gz FIAKHWWMOQFZAN-MVWVFHAYSA-N 2 2 320.480 4.358 20 0 DIADLP c1ccc(C[C@H]2CC[C@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000436229909 338262604 /nfs/dbraw/zinc/26/26/04/338262604.db2.gz FUSSWTRKSPRXQX-UXHICEINSA-N 2 2 323.484 4.275 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000436247235 338263361 /nfs/dbraw/zinc/26/33/61/338263361.db2.gz NZPGKYYZOOBDAJ-VQTJNVASSA-N 2 2 317.436 4.298 20 0 DIADLP c1ccc([C@H]2CC[C@@H]([NH2+]CCCc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000436276353 338265161 /nfs/dbraw/zinc/26/51/61/338265161.db2.gz SLFCBRDWIOFJLE-ZWKOTPCHSA-N 2 2 319.452 4.421 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([NH2+]CCCc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000436276347 338265237 /nfs/dbraw/zinc/26/52/37/338265237.db2.gz SLFCBRDWIOFJLE-MSOLQXFVSA-N 2 2 319.452 4.421 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000436285636 338266039 /nfs/dbraw/zinc/26/60/39/338266039.db2.gz FNRRRFGLLFYJHA-UYAOXDASSA-N 2 2 317.436 4.298 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000437583460 338314753 /nfs/dbraw/zinc/31/47/53/338314753.db2.gz SRPOGRXBZSZGOF-HBMCJLEFSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000437583460 338314754 /nfs/dbraw/zinc/31/47/54/338314754.db2.gz SRPOGRXBZSZGOF-HBMCJLEFSA-N 2 2 312.501 4.057 20 0 DIADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000437755074 338320185 /nfs/dbraw/zinc/32/01/85/338320185.db2.gz RQRYBCCVEUOBLT-UHFFFAOYSA-N 2 2 324.871 4.223 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000439558857 338373113 /nfs/dbraw/zinc/37/31/13/338373113.db2.gz YIYZULNMEJJNRN-QGZVFWFLSA-N 2 2 318.530 4.007 20 0 DIADLP Clc1ccc(C2=CC[C@@H]([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000449059413 338589262 /nfs/dbraw/zinc/58/92/62/338589262.db2.gz ALQGWFPRDLOQQU-GOSISDBHSA-N 2 2 315.848 4.152 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000449101444 338593522 /nfs/dbraw/zinc/59/35/22/338593522.db2.gz FCONUDNQLSJDKN-QGZVFWFLSA-N 2 2 319.452 4.284 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCC13CCCCC3)CCC2 ZINC000449166940 338598636 /nfs/dbraw/zinc/59/86/36/338598636.db2.gz HCZWJIGAEBZOPX-IAGOWNOFSA-N 2 2 301.478 4.162 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH+]1CC(c2ccc(Cl)cc2)C1 ZINC000449558395 338637618 /nfs/dbraw/zinc/63/76/18/338637618.db2.gz XTGULNBGRUNBMA-UHFFFAOYSA-N 2 2 300.833 4.075 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000449766580 338651087 /nfs/dbraw/zinc/65/10/87/338651087.db2.gz NUMCBCASWTWYMC-SOUVJXGZSA-N 2 2 320.443 4.208 20 0 DIADLP CCC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCC1 ZINC000453086646 338792115 /nfs/dbraw/zinc/79/21/15/338792115.db2.gz PBYBYLPKULGRFK-LJQANCHMSA-N 2 2 311.473 4.032 20 0 DIADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C)c1ccncc1 ZINC000453224152 338810196 /nfs/dbraw/zinc/81/01/96/338810196.db2.gz PJEICKJALSKWPA-LSTHTHJFSA-N 2 2 311.473 4.122 20 0 DIADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1=CCCC1 ZINC000453405458 338839311 /nfs/dbraw/zinc/83/93/11/338839311.db2.gz SNOHNSGLGSFZIY-UHFFFAOYSA-N 2 2 318.427 4.129 20 0 DIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000459336908 339022706 /nfs/dbraw/zinc/02/27/06/339022706.db2.gz BCOJLZOIXNPCDM-GOSISDBHSA-N 2 2 317.864 4.233 20 0 DIADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000459336908 339022707 /nfs/dbraw/zinc/02/27/07/339022707.db2.gz BCOJLZOIXNPCDM-GOSISDBHSA-N 2 2 317.864 4.233 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CC3(CCC3)C2)c(C)c1 ZINC000459455949 339030055 /nfs/dbraw/zinc/03/00/55/339030055.db2.gz WGFDHJFVWOPXNE-IBGZPJMESA-N 2 2 309.457 4.164 20 0 DIADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(C3CC3)cc2)c[nH+]1 ZINC000459465098 339030817 /nfs/dbraw/zinc/03/08/17/339030817.db2.gz IRGRTOBEWYRHCM-UHFFFAOYSA-N 2 2 303.409 4.040 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1F ZINC000461090382 339059066 /nfs/dbraw/zinc/05/90/66/339059066.db2.gz NIQZAAJZYLSRGG-QGZVFWFLSA-N 2 2 324.871 4.394 20 0 DIADLP FC(F)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000461391847 339062985 /nfs/dbraw/zinc/06/29/85/339062985.db2.gz CJGITIVHCJPZBT-UHFFFAOYSA-N 2 2 308.416 4.075 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC[C@@H]3c3ccccc3)c[nH+]c12 ZINC000462354718 339076403 /nfs/dbraw/zinc/07/64/03/339076403.db2.gz BBHMCPHALNBJGI-WOJBJXKFSA-N 2 2 319.452 4.459 20 0 DIADLP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000462681917 339084077 /nfs/dbraw/zinc/08/40/77/339084077.db2.gz WLQSGLRJCMSCCV-OXJNMPFZSA-N 2 2 318.480 4.349 20 0 DIADLP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000462681915 339084095 /nfs/dbraw/zinc/08/40/95/339084095.db2.gz WLQSGLRJCMSCCV-JXFKEZNVSA-N 2 2 318.480 4.349 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000463031520 339101813 /nfs/dbraw/zinc/10/18/13/339101813.db2.gz XTTNDGFQPDMTCU-MRXNPFEDSA-N 2 2 312.457 4.461 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000463099061 339105634 /nfs/dbraw/zinc/10/56/34/339105634.db2.gz OGPZAGNYUWGBRV-HDICACEKSA-N 2 2 311.473 4.247 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000463099061 339105635 /nfs/dbraw/zinc/10/56/35/339105635.db2.gz OGPZAGNYUWGBRV-HDICACEKSA-N 2 2 311.473 4.247 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000463099062 339105691 /nfs/dbraw/zinc/10/56/91/339105691.db2.gz OGPZAGNYUWGBRV-QZTJIDSGSA-N 2 2 311.473 4.247 20 0 DIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCCC2CCCC2)CC1 ZINC000463207344 339109453 /nfs/dbraw/zinc/10/94/53/339109453.db2.gz SCUNBNHPNHDJGH-UHFFFAOYSA-N 2 2 320.443 4.353 20 0 DIADLP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463240028 339111240 /nfs/dbraw/zinc/11/12/40/339111240.db2.gz HNTXLRVPBOCXMQ-RDTXWAMCSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H]1C ZINC000463239675 339111277 /nfs/dbraw/zinc/11/12/77/339111277.db2.gz ZKSITHOBVAFFIS-QLFBSQMISA-N 2 2 320.443 4.065 20 0 DIADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789116 339153971 /nfs/dbraw/zinc/15/39/71/339153971.db2.gz MOZZHNOBYAOPDL-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789116 339153972 /nfs/dbraw/zinc/15/39/72/339153972.db2.gz MOZZHNOBYAOPDL-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789116 339153973 /nfs/dbraw/zinc/15/39/73/339153973.db2.gz MOZZHNOBYAOPDL-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789116 339153974 /nfs/dbraw/zinc/15/39/74/339153974.db2.gz MOZZHNOBYAOPDL-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469741832 339297467 /nfs/dbraw/zinc/29/74/67/339297467.db2.gz MMBDRXCVFJQYKW-IUODEOHRSA-N 2 2 320.795 4.088 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469741832 339297468 /nfs/dbraw/zinc/29/74/68/339297468.db2.gz MMBDRXCVFJQYKW-IUODEOHRSA-N 2 2 320.795 4.088 20 0 DIADLP COc1cccc([C@@H](C[NH2+][C@@H](C)CCC2CC2)[NH+]2CCCC2)c1 ZINC000469805133 339301314 /nfs/dbraw/zinc/30/13/14/339301314.db2.gz XMJAKODFNQXUNB-OXJNMPFZSA-N 2 2 316.489 4.000 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)[nH]1 ZINC000471170713 339339514 /nfs/dbraw/zinc/33/95/14/339339514.db2.gz VBBJLINFYNFNKI-HNNXBMFYSA-N 2 2 315.420 4.359 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](C3c4ccccc4-c4ccccc43)C2)[nH]1 ZINC000471170713 339339515 /nfs/dbraw/zinc/33/95/15/339339515.db2.gz VBBJLINFYNFNKI-HNNXBMFYSA-N 2 2 315.420 4.359 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](C3c4ccccc4-c4ccccc43)C2)[nH]1 ZINC000471170714 339339590 /nfs/dbraw/zinc/33/95/90/339339590.db2.gz VBBJLINFYNFNKI-OAHLLOKOSA-N 2 2 315.420 4.359 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C3c4ccccc4-c4ccccc43)C2)[nH]1 ZINC000471170714 339339591 /nfs/dbraw/zinc/33/95/91/339339591.db2.gz VBBJLINFYNFNKI-OAHLLOKOSA-N 2 2 315.420 4.359 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471576636 339347818 /nfs/dbraw/zinc/34/78/18/339347818.db2.gz DHTZHPPCVWWSCB-GUXCAODWSA-N 2 2 314.448 4.038 20 0 DIADLP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471578471 339347890 /nfs/dbraw/zinc/34/78/90/339347890.db2.gz RJFJKKRCKYYKEU-HSZSURFESA-N 2 2 308.469 4.214 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000471597142 339348764 /nfs/dbraw/zinc/34/87/64/339348764.db2.gz CLDAQHYTOLZGLX-KPOBHBOGSA-N 2 2 312.432 4.094 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000472057646 339361419 /nfs/dbraw/zinc/36/14/19/339361419.db2.gz AHNKGVHEQHHTTG-DVWBAYGPSA-N 2 2 308.469 4.071 20 0 DIADLP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000472078840 339362853 /nfs/dbraw/zinc/36/28/53/339362853.db2.gz QQLGKXWQIUDBMH-QNAMOWSRSA-N 2 2 312.432 4.120 20 0 DIADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000472576778 339374250 /nfs/dbraw/zinc/37/42/50/339374250.db2.gz IBEWKMJAGQQDKQ-HNNXBMFYSA-N 2 2 311.539 4.300 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000472576778 339374251 /nfs/dbraw/zinc/37/42/51/339374251.db2.gz IBEWKMJAGQQDKQ-HNNXBMFYSA-N 2 2 311.539 4.300 20 0 DIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147047 339382756 /nfs/dbraw/zinc/38/27/56/339382756.db2.gz VQRMEQWUJGZWOG-YWZLYKJASA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147047 339382757 /nfs/dbraw/zinc/38/27/57/339382757.db2.gz VQRMEQWUJGZWOG-YWZLYKJASA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147046 339382942 /nfs/dbraw/zinc/38/29/42/339382942.db2.gz VQRMEQWUJGZWOG-QRWLVFNGSA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147046 339382943 /nfs/dbraw/zinc/38/29/43/339382943.db2.gz VQRMEQWUJGZWOG-QRWLVFNGSA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3cc4cccc(F)c4o3)n2c1 ZINC000473981831 339395982 /nfs/dbraw/zinc/39/59/82/339395982.db2.gz GNHJRMFVEXEKLR-CYBMUJFWSA-N 2 2 323.371 4.379 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000474029769 339397729 /nfs/dbraw/zinc/39/77/29/339397729.db2.gz DGAZJPVLCZVIQF-ZDUSSCGKSA-N 2 2 321.415 4.148 20 0 DIADLP c1csc([C@H](C[NH2+][C@H]2CCC23CCCC3)[NH+]2CCCC2)c1 ZINC000474037003 339398189 /nfs/dbraw/zinc/39/81/89/339398189.db2.gz SAFDEUYREAUYRN-RDJZCZTQSA-N 2 2 304.503 4.197 20 0 DIADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474056076 339399714 /nfs/dbraw/zinc/39/97/14/339399714.db2.gz QGYHKXRLLANDGH-HZPDHXFCSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000474056076 339399715 /nfs/dbraw/zinc/39/97/15/339399715.db2.gz QGYHKXRLLANDGH-HZPDHXFCSA-N 2 2 324.459 4.311 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000474477542 339416743 /nfs/dbraw/zinc/41/67/43/339416743.db2.gz RYRMYJUYDNHBLG-UHFFFAOYSA-N 2 2 308.347 4.131 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccccc2OC(F)F)c[nH+]1 ZINC000474480341 339416900 /nfs/dbraw/zinc/41/69/00/339416900.db2.gz RAWGXRHOOPKINW-CQSZACIVSA-N 2 2 320.383 4.275 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CCSCC1)c1ccccc1 ZINC000474481568 339417051 /nfs/dbraw/zinc/41/70/51/339417051.db2.gz INHKRZGABNPARA-VQIMIIECSA-N 2 2 320.546 4.191 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)c[nH+]1 ZINC000474484259 339417351 /nfs/dbraw/zinc/41/73/51/339417351.db2.gz HFJYBULUJXRLHU-UHFFFAOYSA-N 2 2 324.346 4.011 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000474806667 339427194 /nfs/dbraw/zinc/42/71/94/339427194.db2.gz GNDRWBPDAPQVFD-NHCUHLMSSA-N 2 2 308.469 4.324 20 0 DIADLP Clc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000475570397 339455931 /nfs/dbraw/zinc/45/59/31/339455931.db2.gz IVSOXRWVPPGFEK-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000479522350 339539292 /nfs/dbraw/zinc/53/92/92/339539292.db2.gz BIACZJCYKXGNQG-LRVUVFPRSA-N 2 2 310.844 4.147 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000479853359 339550640 /nfs/dbraw/zinc/55/06/40/339550640.db2.gz SIROFZMHMPOLTN-PBHICJAKSA-N 2 2 318.461 4.375 20 0 DIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc2ccccc21 ZINC000480777928 339586979 /nfs/dbraw/zinc/58/69/79/339586979.db2.gz VTWWXBIDAKTRQB-MRXNPFEDSA-N 2 2 319.452 4.266 20 0 DIADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000480802603 339587757 /nfs/dbraw/zinc/58/77/57/339587757.db2.gz HESGXBQZMHXRKV-PMACEKPBSA-N 2 2 311.473 4.236 20 0 DIADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000481047485 339594304 /nfs/dbraw/zinc/59/43/04/339594304.db2.gz JCGIHMLHMAUTMU-UHFFFAOYSA-N 2 2 318.505 4.074 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000481948441 339617694 /nfs/dbraw/zinc/61/76/94/339617694.db2.gz AEGFCSDZYWJFSC-RDJZCZTQSA-N 2 2 302.487 4.318 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000481960786 339618071 /nfs/dbraw/zinc/61/80/71/339618071.db2.gz MRTOHCDUCQUMAW-DNVCBOLYSA-N 2 2 300.421 4.088 20 0 DIADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000484309242 339684612 /nfs/dbraw/zinc/68/46/12/339684612.db2.gz NWNJQJFYGUNPHW-LBPRGKRZSA-N 2 2 309.866 4.339 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498796337 340023439 /nfs/dbraw/zinc/02/34/39/340023439.db2.gz UYMKFJOTKSDVBJ-UHFFFAOYSA-N 2 2 300.405 4.292 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000500375753 340056028 /nfs/dbraw/zinc/05/60/28/340056028.db2.gz JCJHNRWXWPTBDE-JFIYKMOQSA-N 2 2 322.443 4.237 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000500375753 340056029 /nfs/dbraw/zinc/05/60/29/340056029.db2.gz JCJHNRWXWPTBDE-JFIYKMOQSA-N 2 2 322.443 4.237 20 0 DIADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407882 340127489 /nfs/dbraw/zinc/12/74/89/340127489.db2.gz RKGGTAIBFUFIIP-SJORKVTESA-N 2 2 303.494 4.081 20 0 DIADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407882 340127490 /nfs/dbraw/zinc/12/74/90/340127490.db2.gz RKGGTAIBFUFIIP-SJORKVTESA-N 2 2 303.494 4.081 20 0 DIADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435541 340128250 /nfs/dbraw/zinc/12/82/50/340128250.db2.gz MTLOIOCGQCUUNS-ROUUACIJSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435541 340128251 /nfs/dbraw/zinc/12/82/51/340128251.db2.gz MTLOIOCGQCUUNS-ROUUACIJSA-N 2 2 323.484 4.468 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000503561927 340130730 /nfs/dbraw/zinc/13/07/30/340130730.db2.gz HAUDTIAHSATMRN-VQTJNVASSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000503561927 340130731 /nfs/dbraw/zinc/13/07/31/340130731.db2.gz HAUDTIAHSATMRN-VQTJNVASSA-N 2 2 324.443 4.209 20 0 DIADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1F)Cn1cc[nH+]c1 ZINC000503569549 340130944 /nfs/dbraw/zinc/13/09/44/340130944.db2.gz UCUQIHFSKSDPNX-INIZCTEOSA-N 2 2 323.415 4.115 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2Cl)CC1 ZINC000506353557 340193077 /nfs/dbraw/zinc/19/30/77/340193077.db2.gz QCFUTSAIFJOSPF-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2Cl)CC1 ZINC000506353557 340193078 /nfs/dbraw/zinc/19/30/78/340193078.db2.gz QCFUTSAIFJOSPF-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474924 340195310 /nfs/dbraw/zinc/19/53/10/340195310.db2.gz QSUXJSUFTQGDFU-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474924 340195311 /nfs/dbraw/zinc/19/53/11/340195311.db2.gz QSUXJSUFTQGDFU-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000506474924 340195312 /nfs/dbraw/zinc/19/53/12/340195312.db2.gz QSUXJSUFTQGDFU-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000506474924 340195313 /nfs/dbraw/zinc/19/53/13/340195313.db2.gz QSUXJSUFTQGDFU-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP CCc1cccnc1[C@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000507486236 340222140 /nfs/dbraw/zinc/22/21/40/340222140.db2.gz OKHOAJRLTRPPCO-HNNXBMFYSA-N 2 2 322.456 4.043 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507894728 340235395 /nfs/dbraw/zinc/23/53/95/340235395.db2.gz MEEUOEOTCJMOOT-JKIFEVAISA-N 2 2 303.837 4.181 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507894728 340235396 /nfs/dbraw/zinc/23/53/96/340235396.db2.gz MEEUOEOTCJMOOT-JKIFEVAISA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)[N@H+](C)Cc1ccccc1 ZINC000510715356 340307682 /nfs/dbraw/zinc/30/76/82/340307682.db2.gz NKGXVXKYRMQKTF-QRQLOZEOSA-N 2 2 306.469 4.015 20 0 DIADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)[N@@H+](C)Cc1ccccc1 ZINC000510715356 340307683 /nfs/dbraw/zinc/30/76/83/340307683.db2.gz NKGXVXKYRMQKTF-QRQLOZEOSA-N 2 2 306.469 4.015 20 0 DIADLP c1csc([C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)[NH+]2CCCC2)c1 ZINC000510729202 340308388 /nfs/dbraw/zinc/30/83/88/340308388.db2.gz BFLCYDUYMLMISD-ULQDDVLXSA-N 2 2 304.503 4.053 20 0 DIADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000510740634 340309064 /nfs/dbraw/zinc/30/90/64/340309064.db2.gz VLAWCSRDQJAGOI-ULQDDVLXSA-N 2 2 324.509 4.393 20 0 DIADLP CC(C)Sc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000511100401 340320787 /nfs/dbraw/zinc/32/07/87/340320787.db2.gz IEXYPJSXSTYADG-UHFFFAOYSA-N 2 2 318.530 4.247 20 0 DIADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CSc4ccccc43)CC2)cc1 ZINC000303376359 340324007 /nfs/dbraw/zinc/32/40/07/340324007.db2.gz GXKRGOOAQHGJKO-LJQANCHMSA-N 2 2 324.493 4.088 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@@H+]1C1CC1 ZINC000511624766 340332870 /nfs/dbraw/zinc/33/28/70/340332870.db2.gz CQVLECQKKXARDL-FXAWDEMLSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@H+]1C1CC1 ZINC000511624766 340332871 /nfs/dbraw/zinc/33/28/71/340332871.db2.gz CQVLECQKKXARDL-FXAWDEMLSA-N 2 2 320.480 4.033 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC1CCC(C(C)C)CC1)CCC2 ZINC000512040071 340346388 /nfs/dbraw/zinc/34/63/88/340346388.db2.gz ZIWSCPFRUANSOX-DAWZGUTISA-N 2 2 303.494 4.121 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181168 340351171 /nfs/dbraw/zinc/35/11/71/340351171.db2.gz OMECPUFYPCYLOJ-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181168 340351172 /nfs/dbraw/zinc/35/11/72/340351172.db2.gz OMECPUFYPCYLOJ-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181168 340351173 /nfs/dbraw/zinc/35/11/73/340351173.db2.gz OMECPUFYPCYLOJ-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181168 340351174 /nfs/dbraw/zinc/35/11/74/340351174.db2.gz OMECPUFYPCYLOJ-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000173354223 340363132 /nfs/dbraw/zinc/36/31/32/340363132.db2.gz SCTWSPHWAQXHOX-LBPRGKRZSA-N 2 2 315.367 4.125 20 0 DIADLP CC(C)CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000513071948 340391971 /nfs/dbraw/zinc/39/19/71/340391971.db2.gz ZCRXCRFNDSXNAW-UHFFFAOYSA-N 2 2 318.505 4.074 20 0 DIADLP CCCC1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000513069674 340392029 /nfs/dbraw/zinc/39/20/29/340392029.db2.gz PEDQWJAXSXUOBH-UHFFFAOYSA-N 2 2 320.443 4.352 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000513074503 340392306 /nfs/dbraw/zinc/39/23/06/340392306.db2.gz HTMSRFYJBBQTGR-UHFFFAOYSA-N 2 2 316.420 4.048 20 0 DIADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000517065670 340463027 /nfs/dbraw/zinc/46/30/27/340463027.db2.gz ILFFICHICPZEHO-MRXNPFEDSA-N 2 2 323.387 4.006 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)c(C)c1 ZINC000520931814 340477223 /nfs/dbraw/zinc/47/72/23/340477223.db2.gz PSTPBRHLUYHNIT-SFHVURJKSA-N 2 2 314.498 4.292 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccs1 ZINC000192176726 340563984 /nfs/dbraw/zinc/56/39/84/340563984.db2.gz LXJJENXXTXSFSB-QGZVFWFLSA-N 2 2 311.454 4.483 20 0 DIADLP Clc1ccsc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000193051519 340571937 /nfs/dbraw/zinc/57/19/37/340571937.db2.gz KWLWOXDULICANZ-UHFFFAOYSA-N 2 2 305.834 4.000 20 0 DIADLP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236721965 340664124 /nfs/dbraw/zinc/66/41/24/340664124.db2.gz RJHDGVKXSRDGQF-ZWKOTPCHSA-N 2 2 315.505 4.245 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000236798555 340665262 /nfs/dbraw/zinc/66/52/62/340665262.db2.gz XXBFPCSHXQEMFK-QZTJIDSGSA-N 2 2 315.505 4.245 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000237462609 340671118 /nfs/dbraw/zinc/67/11/18/340671118.db2.gz SVLSWQSTDWSBCG-MRXNPFEDSA-N 2 2 307.441 4.128 20 0 DIADLP C[C@@H](CC[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000237567347 340672121 /nfs/dbraw/zinc/67/21/21/340672121.db2.gz DTUUWSUWMJRICF-KRWDZBQOSA-N 2 2 305.425 4.156 20 0 DIADLP Cc1[nH]c2ccc(C[NH2+]Cc3c[nH+]c4c(C)cccn34)cc2c1C ZINC000525189625 340694175 /nfs/dbraw/zinc/69/41/75/340694175.db2.gz NDJHRJHRYGFNGB-UHFFFAOYSA-N 2 2 318.424 4.031 20 0 DIADLP COc1ccc2oc([C@@H](C)[NH2+]CCc3cc[nH+]cc3C)c(C)c2c1 ZINC000539039355 340866073 /nfs/dbraw/zinc/86/60/73/340866073.db2.gz KSVPYXWCCWYVOI-OAHLLOKOSA-N 2 2 324.424 4.347 20 0 DIADLP CC[C@H](C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000539493771 340887137 /nfs/dbraw/zinc/88/71/37/340887137.db2.gz PUYAPBZMEJHZEW-WMLDXEAASA-N 2 2 305.853 4.304 20 0 DIADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1 ZINC000542320336 341004785 /nfs/dbraw/zinc/00/47/85/341004785.db2.gz GOOGOCOMIKSIPM-UHFFFAOYSA-N 2 2 315.417 4.098 20 0 DIADLP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccccc1 ZINC000542467124 341008426 /nfs/dbraw/zinc/00/84/26/341008426.db2.gz WODHPMUUUUZWFO-KSSFIOAISA-N 2 2 309.438 4.127 20 0 DIADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccccc1 ZINC000542467124 341008427 /nfs/dbraw/zinc/00/84/27/341008427.db2.gz WODHPMUUUUZWFO-KSSFIOAISA-N 2 2 309.438 4.127 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCCCCC1 ZINC000542481374 341009244 /nfs/dbraw/zinc/00/92/44/341009244.db2.gz VCZMOYVHGKRKOB-KRWDZBQOSA-N 2 2 311.473 4.380 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)o1 ZINC000542677260 341016921 /nfs/dbraw/zinc/01/69/21/341016921.db2.gz GUWUKRDJSGDHQS-SFHVURJKSA-N 2 2 301.434 4.086 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](C)CC1CCCCC1)CCC2 ZINC000542722394 341018977 /nfs/dbraw/zinc/01/89/77/341018977.db2.gz DKRMLTOBUYMFQA-MAUKXSAKSA-N 2 2 303.494 4.265 20 0 DIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130584616 341029550 /nfs/dbraw/zinc/02/95/50/341029550.db2.gz YEHKAYBKTMVSFD-OAHLLOKOSA-N 2 2 319.408 4.282 20 0 DIADLP Cc1cccc([C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543991165 341065439 /nfs/dbraw/zinc/06/54/39/341065439.db2.gz LUHKUCIWJKCGFP-SFHVURJKSA-N 2 2 311.473 4.445 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000564295177 341143931 /nfs/dbraw/zinc/14/39/31/341143931.db2.gz XEDKTRWVVJOCPT-UHFFFAOYSA-N 2 2 309.240 4.419 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000133125950 341156251 /nfs/dbraw/zinc/15/62/51/341156251.db2.gz DFQUWUKLFCFWCW-CABCVRRESA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000133125950 341156252 /nfs/dbraw/zinc/15/62/52/341156252.db2.gz DFQUWUKLFCFWCW-CABCVRRESA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000133125950 341156253 /nfs/dbraw/zinc/15/62/53/341156253.db2.gz DFQUWUKLFCFWCW-CABCVRRESA-N 2 2 309.523 4.052 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000133125950 341156254 /nfs/dbraw/zinc/15/62/54/341156254.db2.gz DFQUWUKLFCFWCW-CABCVRRESA-N 2 2 309.523 4.052 20 0 DIADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237358905 341212483 /nfs/dbraw/zinc/21/24/83/341212483.db2.gz LLOUYZBGNNFCQB-FXAWDEMLSA-N 2 2 312.457 4.027 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C(C)C)n1 ZINC000547842944 341237012 /nfs/dbraw/zinc/23/70/12/341237012.db2.gz DFBZVWNJKNKOPJ-DOTOQJQBSA-N 2 2 323.550 4.257 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCC(c2ccccc2)CC1 ZINC000548072950 341245661 /nfs/dbraw/zinc/24/56/61/341245661.db2.gz CGDUNKMNNBSDLJ-UHFFFAOYSA-N 2 2 311.473 4.179 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC(c2ccccc2)CC1 ZINC000548072950 341245662 /nfs/dbraw/zinc/24/56/62/341245662.db2.gz CGDUNKMNNBSDLJ-UHFFFAOYSA-N 2 2 311.473 4.179 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000548884409 341279807 /nfs/dbraw/zinc/27/98/07/341279807.db2.gz BGNCYYPJKJQFJQ-MTFMMBMASA-N 2 2 309.457 4.019 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143766 341287206 /nfs/dbraw/zinc/28/72/06/341287206.db2.gz OXITXZNMPBEWAQ-GFRNBQLOSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143766 341287207 /nfs/dbraw/zinc/28/72/07/341287207.db2.gz OXITXZNMPBEWAQ-GFRNBQLOSA-N 2 2 320.480 4.043 20 0 DIADLP Cc1ccc(CCC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)c[nH+]1 ZINC000549449826 341294889 /nfs/dbraw/zinc/29/48/89/341294889.db2.gz ROFLTGAHDIWLSI-IBGZPJMESA-N 2 2 316.395 4.032 20 0 DIADLP Cc1ccc(CCC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)c[nH+]1 ZINC000549449826 341294890 /nfs/dbraw/zinc/29/48/90/341294890.db2.gz ROFLTGAHDIWLSI-IBGZPJMESA-N 2 2 316.395 4.032 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063605 341309295 /nfs/dbraw/zinc/30/92/95/341309295.db2.gz LUXHPFCBEAMZLA-ROUUACIJSA-N 2 2 313.489 4.288 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063605 341309296 /nfs/dbraw/zinc/30/92/96/341309296.db2.gz LUXHPFCBEAMZLA-ROUUACIJSA-N 2 2 313.489 4.288 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)c2ccccc21 ZINC000550679977 341321360 /nfs/dbraw/zinc/32/13/60/341321360.db2.gz DRQLPKJQCHPHOW-LAPQFRIASA-N 2 2 312.432 4.112 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)c2ccccc21 ZINC000550679977 341321361 /nfs/dbraw/zinc/32/13/61/341321361.db2.gz DRQLPKJQCHPHOW-LAPQFRIASA-N 2 2 312.432 4.112 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCC34CCCC4)c2)c[nH+]1 ZINC000551001714 341328803 /nfs/dbraw/zinc/32/88/03/341328803.db2.gz XLUPQPGSMOSRQZ-IBGZPJMESA-N 2 2 309.457 4.134 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC=C(C)CC2)c(C)c1 ZINC000551316512 341338422 /nfs/dbraw/zinc/33/84/22/341338422.db2.gz IGPSKKGNPMKOSK-AZUAARDMSA-N 2 2 309.457 4.330 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000551574740 341346191 /nfs/dbraw/zinc/34/61/91/341346191.db2.gz OUZYKNCNSRZUNL-SFHVURJKSA-N 2 2 317.864 4.360 20 0 DIADLP C[C@H](CCC(C)(C)C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000551792173 341351798 /nfs/dbraw/zinc/35/17/98/341351798.db2.gz CLAPXCPEQQCYHF-QGZVFWFLSA-N 2 2 313.489 4.278 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246637018 341354919 /nfs/dbraw/zinc/35/49/19/341354919.db2.gz RWAJTVZXSKQUQX-CPUCHLNUSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246637018 341354920 /nfs/dbraw/zinc/35/49/20/341354920.db2.gz RWAJTVZXSKQUQX-CPUCHLNUSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248551235 341379748 /nfs/dbraw/zinc/37/97/48/341379748.db2.gz INJANAXEMLKNSI-DVOMOZLQSA-N 2 2 321.827 4.320 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248551235 341379749 /nfs/dbraw/zinc/37/97/49/341379749.db2.gz INJANAXEMLKNSI-DVOMOZLQSA-N 2 2 321.827 4.320 20 0 DIADLP c1cn(-c2csc(C[NH2+]C[C@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC000552272983 341382769 /nfs/dbraw/zinc/38/27/69/341382769.db2.gz LLMLWFXZCROOFS-LJQANCHMSA-N 2 2 323.465 4.217 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000564686285 341506811 /nfs/dbraw/zinc/50/68/11/341506811.db2.gz DMCDYCOVLTWYMM-CQSZACIVSA-N 2 2 311.454 4.283 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261918094 341509382 /nfs/dbraw/zinc/50/93/82/341509382.db2.gz REQAPLUOHLWVJZ-SQNIBIBYSA-N 2 2 310.441 4.336 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1F ZINC000153580284 341575293 /nfs/dbraw/zinc/57/52/93/341575293.db2.gz JPXDNTOHYGBQLQ-CYBMUJFWSA-N 2 2 308.416 4.022 20 0 DIADLP COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000267272353 341590461 /nfs/dbraw/zinc/59/04/61/341590461.db2.gz SOLUHDPWMIPQED-HZPDHXFCSA-N 2 2 321.424 4.293 20 0 DIADLP CCOc1ccccc1[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156219937 341618349 /nfs/dbraw/zinc/61/83/49/341618349.db2.gz XRRKCZLYAAKSHM-OAHLLOKOSA-N 2 2 323.440 4.245 20 0 DIADLP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000164292887 341704825 /nfs/dbraw/zinc/70/48/25/341704825.db2.gz LMFJEYQAPSLLGH-AWEZNQCLSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@@H](c2ccccc2)C1 ZINC000573945681 341743988 /nfs/dbraw/zinc/74/39/88/341743988.db2.gz KNYKIKWRMUEFGH-YTQUADARSA-N 2 2 323.484 4.281 20 0 DIADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000575397199 341796060 /nfs/dbraw/zinc/79/60/60/341796060.db2.gz JIAVEFVHFLIUPR-ZBFHGGJFSA-N 2 2 320.443 4.352 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000177582950 341921484 /nfs/dbraw/zinc/92/14/84/341921484.db2.gz IQRNEHOTHQNFHN-BEFAXECRSA-N 2 2 316.489 4.290 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000098078658 518183341 /nfs/dbraw/zinc/18/33/41/518183341.db2.gz WATQMRDTCGRBAP-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000338342156 520624451 /nfs/dbraw/zinc/62/44/51/520624451.db2.gz HFDBEOUATQBRGR-INIZCTEOSA-N 2 2 316.411 4.310 20 0 DIADLP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(OC)cc1 ZINC000156169124 522831227 /nfs/dbraw/zinc/83/12/27/522831227.db2.gz USARSDHRKNWVTF-QGZVFWFLSA-N 2 2 323.440 4.245 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000339206233 524872943 /nfs/dbraw/zinc/87/29/43/524872943.db2.gz QKFKTOSNUHQUBV-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1c1ccccc1 ZINC000339447364 525267054 /nfs/dbraw/zinc/26/70/54/525267054.db2.gz HPCFJVDUHMHEOT-NHCUHLMSSA-N 2 2 317.436 4.156 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2cc(Cl)ccc2o1 ZINC000181389693 525347193 /nfs/dbraw/zinc/34/71/93/525347193.db2.gz XRGDBYOKWOSIFA-LBPRGKRZSA-N 2 2 303.793 4.024 20 0 DIADLP C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182213990 525393330 /nfs/dbraw/zinc/39/33/30/525393330.db2.gz CEOVPTHLFJPMJX-OAHLLOKOSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130240245 525684093 /nfs/dbraw/zinc/68/40/93/525684093.db2.gz JHIQKOJAHVNKSM-KWCYVHTRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130240245 525684101 /nfs/dbraw/zinc/68/41/01/525684101.db2.gz JHIQKOJAHVNKSM-KWCYVHTRSA-N 2 2 313.272 4.271 20 0 DIADLP Clc1ccc2[nH+]cc(CNc3ccc(C4CCC4)c[nH+]3)n2c1 ZINC000339561802 526971917 /nfs/dbraw/zinc/97/19/17/526971917.db2.gz INLBBRPEXNQOSF-UHFFFAOYSA-N 2 2 312.804 4.262 20 0 DIADLP Cc1[nH+]cc(CNc2cccc(C3CC3)[nH+]2)n1-c1ccccc1 ZINC000339429291 527280629 /nfs/dbraw/zinc/28/06/29/527280629.db2.gz PDOOQLNOXBXLNM-UHFFFAOYSA-N 2 2 304.397 4.065 20 0 DIADLP CC[NH+](CC)C1CCN(c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001165053434 722001619 /nfs/dbraw/zinc/00/16/19/722001619.db2.gz MRGACVQDNFCFTO-UHFFFAOYSA-N 2 2 309.457 4.059 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCC(C)(C)c2ccccc2)C1 ZINC001208674027 1035797091 /nfs/dbraw/zinc/79/70/91/1035797091.db2.gz ZIUCMBBQNXOTIG-IBGZPJMESA-N 2 2 324.468 4.211 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C1 ZINC001208674027 1035797108 /nfs/dbraw/zinc/79/71/08/1035797108.db2.gz ZIUCMBBQNXOTIG-IBGZPJMESA-N 2 2 324.468 4.211 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000322974975 1036097705 /nfs/dbraw/zinc/09/77/05/1036097705.db2.gz ZNEIHFUMWJMAKS-SJLPKXTDSA-N 2 2 310.441 4.051 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000322974975 1036097726 /nfs/dbraw/zinc/09/77/26/1036097726.db2.gz ZNEIHFUMWJMAKS-SJLPKXTDSA-N 2 2 310.441 4.051 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(C4CCCC4)cc3)C2)[nH]1 ZINC000579885536 1036098513 /nfs/dbraw/zinc/09/85/13/1036098513.db2.gz YATRAQBQVMOWAE-LJQANCHMSA-N 2 2 309.457 4.447 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(C4CCCC4)cc3)C2)[nH]1 ZINC000579885536 1036098531 /nfs/dbraw/zinc/09/85/31/1036098531.db2.gz YATRAQBQVMOWAE-LJQANCHMSA-N 2 2 309.457 4.447 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccc1F ZINC001204477685 1036327254 /nfs/dbraw/zinc/32/72/54/1036327254.db2.gz NIRQSCHYASBHHY-UHFFFAOYSA-N 2 2 320.374 4.008 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccc1F ZINC001204477685 1036327273 /nfs/dbraw/zinc/32/72/73/1036327273.db2.gz NIRQSCHYASBHHY-UHFFFAOYSA-N 2 2 320.374 4.008 20 0 DIADLP Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001167267487 1036350863 /nfs/dbraw/zinc/35/08/63/1036350863.db2.gz FDTIOMYAEAZHBF-IBGZPJMESA-N 2 2 317.436 4.170 20 0 DIADLP Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001167267487 1036350880 /nfs/dbraw/zinc/35/08/80/1036350880.db2.gz FDTIOMYAEAZHBF-IBGZPJMESA-N 2 2 317.436 4.170 20 0 DIADLP COc1c(C)cccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655810258 1036559227 /nfs/dbraw/zinc/55/92/27/1036559227.db2.gz JGTNYUVCKXHAIY-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP c1cn(CCCC[NH2+]Cc2ccc3oc4ccccc4c3c2)c[nH+]1 ZINC001648895125 1036677251 /nfs/dbraw/zinc/67/72/51/1036677251.db2.gz CTFBSIKOKXDBAA-UHFFFAOYSA-N 2 2 319.408 4.353 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000072671053 1036695330 /nfs/dbraw/zinc/69/53/30/1036695330.db2.gz GNWAWEOOBNSHBH-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000683690039 1036707172 /nfs/dbraw/zinc/70/71/72/1036707172.db2.gz CSPGGCKMOSMSBL-KXBFYZLASA-N 2 2 323.440 4.265 20 0 DIADLP C[C@@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706087 1036737528 /nfs/dbraw/zinc/73/75/28/1036737528.db2.gz BPQPLRRYNVZYQN-FXAWDEMLSA-N 2 2 319.452 4.097 20 0 DIADLP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)s1 ZINC000312755517 1037014482 /nfs/dbraw/zinc/01/44/82/1037014482.db2.gz BXMWQGNUQZWSIL-QJPTWQEYSA-N 2 2 319.301 4.065 20 0 DIADLP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000656211332 1037116032 /nfs/dbraw/zinc/11/60/32/1037116032.db2.gz AVGIGJLRPZFEBO-VDISTLRHSA-N 2 2 323.362 4.006 20 0 DIADLP Cc1cc[nH+]c(NCc2cc(-n3cc[nH+]c3)cs2)c1C1CC1 ZINC000656778810 1037865052 /nfs/dbraw/zinc/86/50/52/1037865052.db2.gz BPTATSJOXGUDTR-UHFFFAOYSA-N 2 2 310.426 4.127 20 0 DIADLP CCn1c[nH+]cc1CNc1cc(O[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000656780553 1037868416 /nfs/dbraw/zinc/86/84/16/1037868416.db2.gz RZQKUUZEBSFNJX-HNNXBMFYSA-N 2 2 322.412 4.050 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000647182959 1038021186 /nfs/dbraw/zinc/02/11/86/1038021186.db2.gz BYBHARSQCLKXDE-AWEZNQCLSA-N 2 2 310.432 4.283 20 0 DIADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000151127962 1038433335 /nfs/dbraw/zinc/43/33/35/1038433335.db2.gz LFUWQKAUUOPQAN-FQEVSTJZSA-N 2 2 323.440 4.176 20 0 DIADLP CCc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000604998654 1038476796 /nfs/dbraw/zinc/47/67/96/1038476796.db2.gz OSDYBXXDMUOGHZ-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000604998654 1038476803 /nfs/dbraw/zinc/47/68/03/1038476803.db2.gz OSDYBXXDMUOGHZ-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1F ZINC000152228934 1038595719 /nfs/dbraw/zinc/59/57/19/1038595719.db2.gz IRMJPXIDMGWJCZ-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccccc2)CCCC1)c1ccccc1 ZINC000606914774 1038639979 /nfs/dbraw/zinc/63/99/79/1038639979.db2.gz WSCIJLSZALQVDI-GOSISDBHSA-N 2 2 308.469 4.440 20 0 DIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)[C@H]1c1cccs1 ZINC000608060050 1038760624 /nfs/dbraw/zinc/76/06/24/1038760624.db2.gz YMDOJSGFOHJLCB-WBMJQRKESA-N 2 2 324.877 4.167 20 0 DIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)[C@H]1c1cccs1 ZINC000608060050 1038760618 /nfs/dbraw/zinc/76/06/18/1038760618.db2.gz YMDOJSGFOHJLCB-WBMJQRKESA-N 2 2 324.877 4.167 20 0 DIADLP C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000608065662 1038764659 /nfs/dbraw/zinc/76/46/59/1038764659.db2.gz FHXJFGALECMVKL-WMLDXEAASA-N 2 2 301.409 4.070 20 0 DIADLP Cc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000608070695 1038764762 /nfs/dbraw/zinc/76/47/62/1038764762.db2.gz HHOUODQYWOYTTG-HXUWFJFHSA-N 2 2 319.452 4.111 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000608075435 1038766243 /nfs/dbraw/zinc/76/62/43/1038766243.db2.gz VXWDLPNNBVLMOS-FQEVSTJZSA-N 2 2 319.452 4.111 20 0 DIADLP C[C@H](CC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000237466648 1038896837 /nfs/dbraw/zinc/89/68/37/1038896837.db2.gz MJQXBHABYZNSKA-GOSISDBHSA-N 2 2 319.452 4.215 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000657614941 1038912283 /nfs/dbraw/zinc/91/22/83/1038912283.db2.gz LCKGIUFKTQOZCH-FQEVSTJZSA-N 2 2 323.415 4.498 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000153365657 1038936821 /nfs/dbraw/zinc/93/68/21/1038936821.db2.gz DEVHOUJNJYLRDN-OLZOCXBDSA-N 2 2 312.442 4.049 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000153365982 1038937034 /nfs/dbraw/zinc/93/70/34/1038937034.db2.gz DEVHOUJNJYLRDN-QWHCGFSZSA-N 2 2 312.442 4.049 20 0 DIADLP c1ccc(NC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)[nH+]c1 ZINC000534129657 1038990688 /nfs/dbraw/zinc/99/06/88/1038990688.db2.gz YEAXYOYIYDZRTM-LJQANCHMSA-N 2 2 307.441 4.036 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)[C@H](C)C2 ZINC000657698043 1039028025 /nfs/dbraw/zinc/02/80/25/1039028025.db2.gz ZWAPXIJRFOIUKY-KUHUBIRLSA-N 2 2 323.465 4.265 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000078879790 1039035932 /nfs/dbraw/zinc/03/59/32/1039035932.db2.gz KICXOQLMEQFDEI-HNNXBMFYSA-N 2 2 323.465 4.445 20 0 DIADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000150831824 1039214716 /nfs/dbraw/zinc/21/47/16/1039214716.db2.gz SBDSTNFFFJHGOI-KSSFIOAISA-N 2 2 318.486 4.076 20 0 DIADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000150831824 1039214735 /nfs/dbraw/zinc/21/47/35/1039214735.db2.gz SBDSTNFFFJHGOI-KSSFIOAISA-N 2 2 318.486 4.076 20 0 DIADLP c1cn(CCC[N@H+](Cc2ccc3ccccc3c2)C2CC2)c[nH+]1 ZINC000343164339 1039259060 /nfs/dbraw/zinc/25/90/60/1039259060.db2.gz VQKLCFPEDXTMBG-UHFFFAOYSA-N 2 2 305.425 4.091 20 0 DIADLP c1cn(CCC[N@@H+](Cc2ccc3ccccc3c2)C2CC2)c[nH+]1 ZINC000343164339 1039259073 /nfs/dbraw/zinc/25/90/73/1039259073.db2.gz VQKLCFPEDXTMBG-UHFFFAOYSA-N 2 2 305.425 4.091 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nc(C)cs1 ZINC000150947532 1039301470 /nfs/dbraw/zinc/30/14/70/1039301470.db2.gz AYJJGDHSQIIGLJ-QGZVFWFLSA-N 2 2 321.534 4.289 20 0 DIADLP CCC(CC)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822988 1039352024 /nfs/dbraw/zinc/35/20/24/1039352024.db2.gz ZSFPWBSOXNOFPV-UHFFFAOYSA-N 2 2 303.494 4.056 20 0 DIADLP CCC(CC)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822988 1039352040 /nfs/dbraw/zinc/35/20/40/1039352040.db2.gz ZSFPWBSOXNOFPV-UHFFFAOYSA-N 2 2 303.494 4.056 20 0 DIADLP Cc1cccc(C(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000541373724 1039676380 /nfs/dbraw/zinc/67/63/80/1039676380.db2.gz JGQVSEBPHOPQRW-UHFFFAOYSA-N 2 2 311.454 4.267 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132035 1039796155 /nfs/dbraw/zinc/79/61/55/1039796155.db2.gz GUGYISPSWWAYQY-GOSISDBHSA-N 2 2 311.473 4.445 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071547 1039864191 /nfs/dbraw/zinc/86/41/91/1039864191.db2.gz JJODKGYEFCJLFA-AWEZNQCLSA-N 2 2 303.837 4.060 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071547 1039864205 /nfs/dbraw/zinc/86/42/05/1039864205.db2.gz JJODKGYEFCJLFA-AWEZNQCLSA-N 2 2 303.837 4.060 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000177248540 1040115548 /nfs/dbraw/zinc/11/55/48/1040115548.db2.gz HSOJNYBAQJKRBN-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP Cc1cccc(C([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(C)c2)c1 ZINC000493230756 1040141065 /nfs/dbraw/zinc/14/10/65/1040141065.db2.gz PQHJCNFKCHRJPH-GHTZIAJQSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1cccc(C([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(C)c2)c1 ZINC000493230756 1040141078 /nfs/dbraw/zinc/14/10/78/1040141078.db2.gz PQHJCNFKCHRJPH-GHTZIAJQSA-N 2 2 322.496 4.465 20 0 DIADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977752 1040240765 /nfs/dbraw/zinc/24/07/65/1040240765.db2.gz BMKPDKSUYIKONR-WMLDXEAASA-N 2 2 324.459 4.166 20 0 DIADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977752 1040240781 /nfs/dbraw/zinc/24/07/81/1040240781.db2.gz BMKPDKSUYIKONR-WMLDXEAASA-N 2 2 324.459 4.166 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000236705037 1040652615 /nfs/dbraw/zinc/65/26/15/1040652615.db2.gz JXBLBDCCOOONLN-WJDWOHSUSA-N 2 2 321.399 4.205 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC000235902345 1040725502 /nfs/dbraw/zinc/72/55/02/1040725502.db2.gz KLMOKGMGXMNKIF-INIZCTEOSA-N 2 2 305.853 4.049 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414065383 1040809673 /nfs/dbraw/zinc/80/96/73/1040809673.db2.gz OKRVBKDBCAWOBF-KYJSFNMBSA-N 2 2 317.864 4.241 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cccc[nH+]2)C1 ZINC000613524686 1041089835 /nfs/dbraw/zinc/08/98/35/1041089835.db2.gz RBAJWUOURIRMTR-CALCHBBNSA-N 2 2 309.457 4.172 20 0 DIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cccc[nH+]2)C1 ZINC000613524686 1041089846 /nfs/dbraw/zinc/08/98/46/1041089846.db2.gz RBAJWUOURIRMTR-CALCHBBNSA-N 2 2 309.457 4.172 20 0 DIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cccc[nH+]2)C1 ZINC000613524688 1041091399 /nfs/dbraw/zinc/09/13/99/1041091399.db2.gz RBAJWUOURIRMTR-IRXDYDNUSA-N 2 2 309.457 4.172 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)s1 ZINC000809559048 1041187439 /nfs/dbraw/zinc/18/74/39/1041187439.db2.gz YJELXWAIBSBRGK-MRXNPFEDSA-N 2 2 321.534 4.140 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)s1 ZINC000809559048 1041187450 /nfs/dbraw/zinc/18/74/50/1041187450.db2.gz YJELXWAIBSBRGK-MRXNPFEDSA-N 2 2 321.534 4.140 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000378930486 1041403918 /nfs/dbraw/zinc/40/39/18/1041403918.db2.gz XSSGGLVEAITMAU-FQEVSTJZSA-N 2 2 323.484 4.024 20 0 DIADLP c1ccc(N2CCC([NH2+]CCC3CCCCCC3)CC2)[nH+]c1 ZINC000394576872 1041410257 /nfs/dbraw/zinc/41/02/57/1041410257.db2.gz PWCNTIXRAZGCCI-UHFFFAOYSA-N 2 2 301.478 4.001 20 0 DIADLP Clc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000271216185 1041510624 /nfs/dbraw/zinc/51/06/24/1041510624.db2.gz XVQHKVIYFPJQRN-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP c1cn(C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC000659999090 1041577273 /nfs/dbraw/zinc/57/72/73/1041577273.db2.gz MXGQHFQFIOLJLF-IEBWSBKVSA-N 2 2 309.457 4.104 20 0 DIADLP Clc1cccc(SCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660077350 1041602728 /nfs/dbraw/zinc/60/27/28/1041602728.db2.gz NZSCBUNJNWIZMR-CYBMUJFWSA-N 2 2 321.877 4.035 20 0 DIADLP Clc1cccc(SCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660077350 1041602736 /nfs/dbraw/zinc/60/27/36/1041602736.db2.gz NZSCBUNJNWIZMR-CYBMUJFWSA-N 2 2 321.877 4.035 20 0 DIADLP CC(C)CCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812834170 1041654170 /nfs/dbraw/zinc/65/41/70/1041654170.db2.gz MTVLYRWHHWNDPS-UHFFFAOYSA-N 2 2 317.521 4.137 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH2+]Cc3ccccc3)CC1)CC2 ZINC000660679950 1041851301 /nfs/dbraw/zinc/85/13/01/1041851301.db2.gz UUSWBMNBUYHNPW-OAQYLSRUSA-N 2 2 324.443 4.067 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H](c2ccccc2)C1 ZINC000323415525 1041921179 /nfs/dbraw/zinc/92/11/79/1041921179.db2.gz RDWGSBILJSIITF-YSIASYRMSA-N 2 2 311.473 4.225 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H](c2ccccc2)C1 ZINC000323415517 1041921635 /nfs/dbraw/zinc/92/16/35/1041921635.db2.gz RDWGSBILJSIITF-DFQSSKMNSA-N 2 2 311.473 4.225 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000815563257 1041963767 /nfs/dbraw/zinc/96/37/67/1041963767.db2.gz XNRKKPLWZCPZIC-RHSMWYFYSA-N 2 2 303.425 4.096 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000815574593 1041973113 /nfs/dbraw/zinc/97/31/13/1041973113.db2.gz VYJRFKTUTLFAFI-HNNXBMFYSA-N 2 2 301.409 4.072 20 0 DIADLP Cc1ccccc1C1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000652217892 1041978352 /nfs/dbraw/zinc/97/83/52/1041978352.db2.gz NHTUILQXYLYHMT-UHFFFAOYSA-N 2 2 321.468 4.028 20 0 DIADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000817955303 1042131814 /nfs/dbraw/zinc/13/18/14/1042131814.db2.gz VJQMSFRAFQWRRM-CXAGYDPISA-N 2 2 318.848 4.008 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1F ZINC000317064091 1042187247 /nfs/dbraw/zinc/18/72/47/1042187247.db2.gz VPHUWAQDRKBCIX-IRXDYDNUSA-N 2 2 303.425 4.178 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1F ZINC000317064089 1042187383 /nfs/dbraw/zinc/18/73/83/1042187383.db2.gz VPHUWAQDRKBCIX-IAGOWNOFSA-N 2 2 303.425 4.178 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877271 1042236530 /nfs/dbraw/zinc/23/65/30/1042236530.db2.gz RXCCEYTUAUWVAP-LPHOPBHVSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877271 1042236534 /nfs/dbraw/zinc/23/65/34/1042236534.db2.gz RXCCEYTUAUWVAP-LPHOPBHVSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2o1 ZINC000319756420 1042246537 /nfs/dbraw/zinc/24/65/37/1042246537.db2.gz JSZMAWGDRXWPGY-KDOFPFPSSA-N 2 2 311.429 4.395 20 0 DIADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246178209 1042282711 /nfs/dbraw/zinc/28/27/11/1042282711.db2.gz XUTISXXRIGTSLF-TZMCWYRMSA-N 2 2 315.288 4.250 20 0 DIADLP CCCCC[C@H](CCC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197184 1042295906 /nfs/dbraw/zinc/29/59/06/1042295906.db2.gz YYCKUGSUYLTNEG-LSDHHAIUSA-N 2 2 308.432 4.256 20 0 DIADLP c1cc2c(s1)CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000162898506 1042300576 /nfs/dbraw/zinc/30/05/76/1042300576.db2.gz PJHYPDODFAKWFG-OAHLLOKOSA-N 2 2 301.459 4.002 20 0 DIADLP C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320041696 1042302915 /nfs/dbraw/zinc/30/29/15/1042302915.db2.gz QZRVLICNBSHJGI-QGZVFWFLSA-N 2 2 305.425 4.156 20 0 DIADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000320042551 1042303138 /nfs/dbraw/zinc/30/31/38/1042303138.db2.gz KPIDQGDYXUUEOX-IBGZPJMESA-N 2 2 309.457 4.181 20 0 DIADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000122855910 1042338583 /nfs/dbraw/zinc/33/85/83/1042338583.db2.gz NLEHIBZBHMVHDN-NRFANRHFSA-N 2 2 324.443 4.132 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)c2ccccc21 ZINC000422697466 1042687842 /nfs/dbraw/zinc/68/78/42/1042687842.db2.gz URADLVWASHRUTG-VQTJNVASSA-N 2 2 322.452 4.242 20 0 DIADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422883375 1042691653 /nfs/dbraw/zinc/69/16/53/1042691653.db2.gz UZEBMZKYTVIOLA-GBESFXJTSA-N 2 2 310.441 4.271 20 0 DIADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422883373 1042691714 /nfs/dbraw/zinc/69/17/14/1042691714.db2.gz UZEBMZKYTVIOLA-CEXWTWQISA-N 2 2 310.441 4.271 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OCC2CC2)c1 ZINC000422870655 1042692256 /nfs/dbraw/zinc/69/22/56/1042692256.db2.gz XULXHIZXROXJHD-UXHICEINSA-N 2 2 322.452 4.018 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423215648 1042701591 /nfs/dbraw/zinc/70/15/91/1042701591.db2.gz NGUFEFXPYJAZEY-LPEHRKFASA-N 2 2 307.290 4.094 20 0 DIADLP CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)c1cccnc1 ZINC000423241274 1042702385 /nfs/dbraw/zinc/70/23/85/1042702385.db2.gz LFUTWICKEDUHOW-PMACEKPBSA-N 2 2 311.473 4.336 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000423254258 1042702826 /nfs/dbraw/zinc/70/28/26/1042702826.db2.gz ZSEGAGXIOIDEAF-JCYILVPMSA-N 2 2 310.432 4.223 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423250111 1042702842 /nfs/dbraw/zinc/70/28/42/1042702842.db2.gz UQBGZECZUYOZFB-YOEHRIQHSA-N 2 2 300.471 4.149 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](c2cccnc2)C(C)C)cc1 ZINC000423247156 1042702907 /nfs/dbraw/zinc/70/29/07/1042702907.db2.gz QDLZSNAUCQFDHR-VQTJNVASSA-N 2 2 311.473 4.192 20 0 DIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423250366 1042703511 /nfs/dbraw/zinc/70/35/11/1042703511.db2.gz UVUMYCMICNGBCM-BLLLJJGKSA-N 2 2 308.347 4.056 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000423250044 1042703595 /nfs/dbraw/zinc/70/35/95/1042703595.db2.gz UJBXYCKKEOIDKU-TZIWHRDSSA-N 2 2 323.484 4.346 20 0 DIADLP [NH3+]C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc2ccccc2c1 ZINC000423402637 1042711661 /nfs/dbraw/zinc/71/16/61/1042711661.db2.gz RMZFSNGXHRZXGS-UYJHFMRCSA-N 2 2 318.411 4.253 20 0 DIADLP CCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000515020672 1042805057 /nfs/dbraw/zinc/80/50/57/1042805057.db2.gz VGWMTACBFDMLJF-UHFFFAOYSA-N 2 2 317.502 4.199 20 0 DIADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319806528 1042869403 /nfs/dbraw/zinc/86/94/03/1042869403.db2.gz IBXULNMTLGUVMB-YJBOKZPZSA-N 2 2 315.461 4.047 20 0 DIADLP c1ccc(NCCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)[nH+]c1 ZINC000519671535 1042998794 /nfs/dbraw/zinc/99/87/94/1042998794.db2.gz VMCKDKJMGQMPJT-SFHVURJKSA-N 2 2 320.440 4.032 20 0 DIADLP COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000177388167 1043107048 /nfs/dbraw/zinc/10/70/48/1043107048.db2.gz CBDIKIAKTOCJRZ-JKSUJKDBSA-N 2 2 321.424 4.293 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2ccccc2n1 ZINC000178552382 1043133673 /nfs/dbraw/zinc/13/36/73/1043133673.db2.gz HGRJQKIRPVEOIE-INIZCTEOSA-N 2 2 320.440 4.173 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cs1 ZINC000186313504 1043220167 /nfs/dbraw/zinc/22/01/67/1043220167.db2.gz LZEYJDNKWYFNTJ-AWEZNQCLSA-N 2 2 318.490 4.204 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cs1 ZINC000186313485 1043221280 /nfs/dbraw/zinc/22/12/80/1043221280.db2.gz LZEYJDNKWYFNTJ-CQSZACIVSA-N 2 2 318.490 4.204 20 0 DIADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854974 1043309089 /nfs/dbraw/zinc/30/90/89/1043309089.db2.gz ROSMPNWDLLDPFH-WIYYLYMNSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854974 1043309099 /nfs/dbraw/zinc/30/90/99/1043309099.db2.gz ROSMPNWDLLDPFH-WIYYLYMNSA-N 2 2 323.484 4.095 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccccc2)c1 ZINC000427852569 1043309582 /nfs/dbraw/zinc/30/95/82/1043309582.db2.gz FYPIWXBFOXMARN-OXQOHEQNSA-N 2 2 317.436 4.216 20 0 DIADLP CC(C)CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427879371 1043309646 /nfs/dbraw/zinc/30/96/46/1043309646.db2.gz SPGYSWQNNGACCS-RTBURBONSA-N 2 2 311.473 4.355 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427859846 1043311059 /nfs/dbraw/zinc/31/10/59/1043311059.db2.gz PDZCKULDZBRABJ-DOMZBBRYSA-N 2 2 324.255 4.246 20 0 DIADLP FC(F)C1CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000442640877 1043397315 /nfs/dbraw/zinc/39/73/15/1043397315.db2.gz CMWBVFSJBHTHIY-DAWZGUTISA-N 2 2 322.443 4.237 20 0 DIADLP c1cn(C2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c[nH+]1 ZINC000283309010 1043472799 /nfs/dbraw/zinc/47/27/99/1043472799.db2.gz YWAVDTHWLLPSKC-UHFFFAOYSA-N 2 2 317.436 4.310 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c2ccccc21 ZINC000925824590 1043478197 /nfs/dbraw/zinc/47/81/97/1043478197.db2.gz BILWTJPFTWPOPY-QRVBRYPASA-N 2 2 320.436 4.167 20 0 DIADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(Cl)c1Cl ZINC000349384968 1043505468 /nfs/dbraw/zinc/50/54/68/1043505468.db2.gz QOORBHBSSHRPQV-UHFFFAOYSA-N 2 2 318.273 4.082 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000349749278 1043522218 /nfs/dbraw/zinc/52/22/18/1043522218.db2.gz POJGPHOXZMULCO-HXUWFJFHSA-N 2 2 303.409 4.209 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000349749278 1043522223 /nfs/dbraw/zinc/52/22/23/1043522223.db2.gz POJGPHOXZMULCO-HXUWFJFHSA-N 2 2 303.409 4.209 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000717975595 1043534810 /nfs/dbraw/zinc/53/48/10/1043534810.db2.gz CUSOXFVCFYTKFX-OALUTQOASA-N 2 2 300.490 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000717975595 1043534817 /nfs/dbraw/zinc/53/48/17/1043534817.db2.gz CUSOXFVCFYTKFX-OALUTQOASA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000717988893 1043540497 /nfs/dbraw/zinc/54/04/97/1043540497.db2.gz RXZXYYFAGPCCGJ-NSISKUIASA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000717988893 1043540501 /nfs/dbraw/zinc/54/05/01/1043540501.db2.gz RXZXYYFAGPCCGJ-NSISKUIASA-N 2 2 300.490 4.065 20 0 DIADLP Cc1ccc(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1C ZINC000718045531 1043555351 /nfs/dbraw/zinc/55/53/51/1043555351.db2.gz XMCGPIPIINJJEA-JOCHJYFZSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1ccc(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1C ZINC000718045531 1043555355 /nfs/dbraw/zinc/55/53/55/1043555355.db2.gz XMCGPIPIINJJEA-JOCHJYFZSA-N 2 2 322.496 4.304 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747993 1043639209 /nfs/dbraw/zinc/63/92/09/1043639209.db2.gz BZSGADMNRAVMHG-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747993 1043639214 /nfs/dbraw/zinc/63/92/14/1043639214.db2.gz BZSGADMNRAVMHG-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747993 1043639221 /nfs/dbraw/zinc/63/92/21/1043639221.db2.gz BZSGADMNRAVMHG-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)C[C@H]1C ZINC000353747993 1043639227 /nfs/dbraw/zinc/63/92/27/1043639227.db2.gz BZSGADMNRAVMHG-GDBMZVCRSA-N 2 2 321.534 4.105 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747996 1043639255 /nfs/dbraw/zinc/63/92/55/1043639255.db2.gz BZSGADMNRAVMHG-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747996 1043639265 /nfs/dbraw/zinc/63/92/65/1043639265.db2.gz BZSGADMNRAVMHG-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747996 1043639274 /nfs/dbraw/zinc/63/92/74/1043639274.db2.gz BZSGADMNRAVMHG-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747996 1043639279 /nfs/dbraw/zinc/63/92/79/1043639279.db2.gz BZSGADMNRAVMHG-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP CC(C)COc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000559055412 1043682980 /nfs/dbraw/zinc/68/29/80/1043682980.db2.gz ADESOTMHROEECD-UHFFFAOYSA-N 2 2 318.505 4.026 20 0 DIADLP CC(C)COc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000559055412 1043682985 /nfs/dbraw/zinc/68/29/85/1043682985.db2.gz ADESOTMHROEECD-UHFFFAOYSA-N 2 2 318.505 4.026 20 0 DIADLP c1ccc(C[NH+]2CCC(Nc3ccc(C4CCC4)c[nH+]3)CC2)cc1 ZINC000354558338 1043708952 /nfs/dbraw/zinc/70/89/52/1043708952.db2.gz GTTXAQUJSLYINS-UHFFFAOYSA-N 2 2 321.468 4.426 20 0 DIADLP Cc1cccc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[nH+]1 ZINC000354797447 1043721351 /nfs/dbraw/zinc/72/13/51/1043721351.db2.gz WNYHTAAHFXYQLI-HNNXBMFYSA-N 2 2 323.362 4.124 20 0 DIADLP CC[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000777693970 1043759973 /nfs/dbraw/zinc/75/99/73/1043759973.db2.gz KWGPHPUSTLDRDH-FQEVSTJZSA-N 2 2 317.521 4.311 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CCSCC1)c1ccccc1 ZINC000474481565 1043797127 /nfs/dbraw/zinc/79/71/27/1043797127.db2.gz INHKRZGABNPARA-LPHOPBHVSA-N 2 2 320.546 4.191 20 0 DIADLP C[C@H](CC[NH2+]Cc1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC001308365008 1043805606 /nfs/dbraw/zinc/80/56/06/1043805606.db2.gz BAVDHMSIXUOGQJ-CYBMUJFWSA-N 2 2 315.288 4.348 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)[nH]1 ZINC000356967273 1043901324 /nfs/dbraw/zinc/90/13/24/1043901324.db2.gz OKQHRXFFUNNTRV-OAHLLOKOSA-N 2 2 323.396 4.175 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)[nH]1 ZINC000356967273 1043901333 /nfs/dbraw/zinc/90/13/33/1043901333.db2.gz OKQHRXFFUNNTRV-OAHLLOKOSA-N 2 2 323.396 4.175 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000561522503 1043963731 /nfs/dbraw/zinc/96/37/31/1043963731.db2.gz IPCSYLZRIQXINB-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1csc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC001137157043 1044051051 /nfs/dbraw/zinc/05/10/51/1044051051.db2.gz JERJCLSKPHZFEQ-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1csc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001137157043 1044051068 /nfs/dbraw/zinc/05/10/68/1044051068.db2.gz JERJCLSKPHZFEQ-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358310610 1044053180 /nfs/dbraw/zinc/05/31/80/1044053180.db2.gz YIAVZPISBYSGKO-ZFWWWQNUSA-N 2 2 305.372 4.101 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000562104638 1044066689 /nfs/dbraw/zinc/06/66/89/1044066689.db2.gz VEPVDQKRJKEXDN-UONOGXRCSA-N 2 2 323.440 4.235 20 0 DIADLP Cc1cnccc1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000562517496 1044126457 /nfs/dbraw/zinc/12/64/57/1044126457.db2.gz XTJHZHNETCXCAZ-GOSISDBHSA-N 2 2 323.484 4.143 20 0 DIADLP Cc1cnccc1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000562517497 1044126732 /nfs/dbraw/zinc/12/67/32/1044126732.db2.gz XTJHZHNETCXCAZ-SFHVURJKSA-N 2 2 323.484 4.143 20 0 DIADLP C[C@H]([NH3+])CCc1ccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)cc1 ZINC000629733120 1044167464 /nfs/dbraw/zinc/16/74/64/1044167464.db2.gz ZJUKBFZPDNGGEL-HNNXBMFYSA-N 2 2 323.415 4.017 20 0 DIADLP CC(C)CSCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000359845428 1044206341 /nfs/dbraw/zinc/20/63/41/1044206341.db2.gz VHRILAWWPSQGDV-INIZCTEOSA-N 2 2 317.502 4.302 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000359912875 1044215220 /nfs/dbraw/zinc/21/52/20/1044215220.db2.gz RMEWHYVQBGPGIN-NSHDSACASA-N 2 2 307.800 4.143 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387141 1044298941 /nfs/dbraw/zinc/29/89/41/1044298941.db2.gz SCPKWCKPHPFVCI-WOJBJXKFSA-N 2 2 321.399 4.041 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883386278 1044299685 /nfs/dbraw/zinc/29/96/85/1044299685.db2.gz CSAHYHFJBLPUMC-XLIONFOSSA-N 2 2 305.425 4.284 20 0 DIADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386606 1044300152 /nfs/dbraw/zinc/30/01/52/1044300152.db2.gz JHVAKRIWGVASHY-SFTDATJTSA-N 2 2 317.436 4.210 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)o1 ZINC000883386672 1044300935 /nfs/dbraw/zinc/30/09/35/1044300935.db2.gz LCAGSODSGRAQTB-BEFAXECRSA-N 2 2 309.413 4.185 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388330 1044302909 /nfs/dbraw/zinc/30/29/09/1044302909.db2.gz SBPGRXMUEKSIRG-OXQOHEQNSA-N 2 2 323.415 4.423 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000883387989 1044303536 /nfs/dbraw/zinc/30/35/36/1044303536.db2.gz JYIAOWDQNBEURK-MAUKXSAKSA-N 2 2 311.454 4.345 20 0 DIADLP Cc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000883398874 1044306365 /nfs/dbraw/zinc/30/63/65/1044306365.db2.gz XSNIFADPZLZYMU-FQEVSTJZSA-N 2 2 305.425 4.031 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000361002498 1044343640 /nfs/dbraw/zinc/34/36/40/1044343640.db2.gz JWHUPKLLOAXPIY-BPUTZDHNSA-N 2 2 309.523 4.003 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000361002501 1044344913 /nfs/dbraw/zinc/34/49/13/1044344913.db2.gz JWHUPKLLOAXPIY-KBMXLJTQSA-N 2 2 309.523 4.003 20 0 DIADLP C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361190072 1044373929 /nfs/dbraw/zinc/37/39/29/1044373929.db2.gz OLAIDESRRJUCTN-OAHLLOKOSA-N 2 2 318.424 4.319 20 0 DIADLP CCC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000361215699 1044375545 /nfs/dbraw/zinc/37/55/45/1044375545.db2.gz JKNJQQJZFDFFCY-IBGZPJMESA-N 2 2 318.505 4.007 20 0 DIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361483507 1044407430 /nfs/dbraw/zinc/40/74/30/1044407430.db2.gz DXTGIPQINLQBAX-XOBRGWDASA-N 2 2 321.399 4.035 20 0 DIADLP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)C2 ZINC000361605184 1044424991 /nfs/dbraw/zinc/42/49/91/1044424991.db2.gz XJAYRBYEXHOUSK-UHFFFAOYSA-N 2 2 303.409 4.005 20 0 DIADLP Cc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)C2 ZINC000361605184 1044425002 /nfs/dbraw/zinc/42/50/02/1044425002.db2.gz XJAYRBYEXHOUSK-UHFFFAOYSA-N 2 2 303.409 4.005 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)CCC2 ZINC000361664804 1044428828 /nfs/dbraw/zinc/42/88/28/1044428828.db2.gz QCNBCIYZIHOKPD-TZMCWYRMSA-N 2 2 321.827 4.212 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1)CCC2 ZINC000361657819 1044430394 /nfs/dbraw/zinc/43/03/94/1044430394.db2.gz DEOJDPQBWWAEBH-HOTGVXAUSA-N 2 2 315.436 4.176 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000361832902 1044450494 /nfs/dbraw/zinc/45/04/94/1044450494.db2.gz KUZCBGDMYJSCGT-FQEVSTJZSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000361832902 1044450500 /nfs/dbraw/zinc/45/05/00/1044450500.db2.gz KUZCBGDMYJSCGT-FQEVSTJZSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1ccc2c(Nc3ccc4c(c3)C[N@H+](C)CC4)cccc2[nH+]1 ZINC001212798660 1044451378 /nfs/dbraw/zinc/45/13/78/1044451378.db2.gz MINYDWZUOCVOIX-UHFFFAOYSA-N 2 2 303.409 4.275 20 0 DIADLP CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC)cc1 ZINC000361928958 1044461143 /nfs/dbraw/zinc/46/11/43/1044461143.db2.gz XWYDYIOPZBHJCA-GOSISDBHSA-N 2 2 313.445 4.023 20 0 DIADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000566554137 1044499034 /nfs/dbraw/zinc/49/90/34/1044499034.db2.gz MLIIVARATDJXLB-SJLPKXTDSA-N 2 2 309.457 4.058 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000295592068 1044545214 /nfs/dbraw/zinc/54/52/14/1044545214.db2.gz FGBMYDSFFWTGQD-HOTGVXAUSA-N 2 2 303.494 4.021 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000568040595 1044598675 /nfs/dbraw/zinc/59/86/75/1044598675.db2.gz YPHHUGNHXXDICL-PXNSSMCTSA-N 2 2 309.457 4.013 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000568040597 1044598707 /nfs/dbraw/zinc/59/87/07/1044598707.db2.gz YPHHUGNHXXDICL-YLJYHZDGSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000444780442 1044619906 /nfs/dbraw/zinc/61/99/06/1044619906.db2.gz FFCSCYHCZIQDFJ-GDBMZVCRSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000444780442 1044619913 /nfs/dbraw/zinc/61/99/13/1044619913.db2.gz FFCSCYHCZIQDFJ-GDBMZVCRSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000444780445 1044621078 /nfs/dbraw/zinc/62/10/78/1044621078.db2.gz FFCSCYHCZIQDFJ-ZBFHGGJFSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000444780445 1044621083 /nfs/dbraw/zinc/62/10/83/1044621083.db2.gz FFCSCYHCZIQDFJ-ZBFHGGJFSA-N 2 2 314.395 4.062 20 0 DIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1F ZINC000296654810 1044640279 /nfs/dbraw/zinc/64/02/79/1044640279.db2.gz ZGBFIQJSPJJGTP-IAYQEVDDSA-N 2 2 310.844 4.145 20 0 DIADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1F ZINC000296654810 1044640284 /nfs/dbraw/zinc/64/02/84/1044640284.db2.gz ZGBFIQJSPJJGTP-IAYQEVDDSA-N 2 2 310.844 4.145 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1oc3ccccc3c1C)CCC2 ZINC000366211153 1044714223 /nfs/dbraw/zinc/71/42/23/1044714223.db2.gz QNMIZWPMSAHFTK-HOTGVXAUSA-N 2 2 323.440 4.474 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc3ccccc3o1)CCC2 ZINC000366236834 1044716818 /nfs/dbraw/zinc/71/68/18/1044716818.db2.gz VJIOADRMBUKFTJ-GOEBONIOSA-N 2 2 309.413 4.166 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@@H]1c1ccccc1 ZINC000570384091 1044756299 /nfs/dbraw/zinc/75/62/99/1044756299.db2.gz YVHLAYCWJOAJCB-WOJBJXKFSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@@H]1c1ccccc1 ZINC000570384091 1044756313 /nfs/dbraw/zinc/75/63/13/1044756313.db2.gz YVHLAYCWJOAJCB-WOJBJXKFSA-N 2 2 324.443 4.240 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368100561 1044764910 /nfs/dbraw/zinc/76/49/10/1044764910.db2.gz HXMDTERSMPIQLF-UKRRQHHQSA-N 2 2 315.486 4.118 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](Cc3ccccc3)C1)CCC2 ZINC000368721073 1044788027 /nfs/dbraw/zinc/78/80/27/1044788027.db2.gz DFPSQVGWDWOYAO-HSALFYBXSA-N 2 2 323.484 4.070 20 0 DIADLP C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000570916144 1044790990 /nfs/dbraw/zinc/79/09/90/1044790990.db2.gz GZTSKFDOEFYXPQ-GOSISDBHSA-N 2 2 319.452 4.042 20 0 DIADLP Clc1ccc([C@H]2CC[C@H]([NH2+]CCCCn3cc[nH+]c3)C2)cc1 ZINC000572332684 1044854707 /nfs/dbraw/zinc/85/47/07/1044854707.db2.gz JNLBTMGIJADEOU-WMZOPIPTSA-N 2 2 317.864 4.243 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)CCC2 ZINC000371070879 1044860757 /nfs/dbraw/zinc/86/07/57/1044860757.db2.gz XVPFSGAVCDSALP-ZDUSSCGKSA-N 2 2 324.255 4.166 20 0 DIADLP CC[N@@H+](Cc1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000524753246 1044910807 /nfs/dbraw/zinc/91/08/07/1044910807.db2.gz QNIPMZNMMQKMPC-UHFFFAOYSA-N 2 2 323.484 4.129 20 0 DIADLP CC[N@H+](Cc1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000524753246 1044910814 /nfs/dbraw/zinc/91/08/14/1044910814.db2.gz QNIPMZNMMQKMPC-UHFFFAOYSA-N 2 2 323.484 4.129 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373490671 1044981884 /nfs/dbraw/zinc/98/18/84/1044981884.db2.gz RAHRUJRQJROOKZ-UHFFFAOYSA-N 2 2 310.441 4.053 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471707 1045059082 /nfs/dbraw/zinc/05/90/82/1045059082.db2.gz VKUOQCJXOXPKGO-IEBWSBKVSA-N 2 2 318.505 4.026 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471707 1045059090 /nfs/dbraw/zinc/05/90/90/1045059090.db2.gz VKUOQCJXOXPKGO-IEBWSBKVSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471707 1045059096 /nfs/dbraw/zinc/05/90/96/1045059096.db2.gz VKUOQCJXOXPKGO-IEBWSBKVSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(C)C)C[C@H]1C ZINC000576471707 1045059101 /nfs/dbraw/zinc/05/91/01/1045059101.db2.gz VKUOQCJXOXPKGO-IEBWSBKVSA-N 2 2 318.505 4.026 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000153730906 1045061781 /nfs/dbraw/zinc/06/17/81/1045061781.db2.gz OTRWBGHTTKZXGY-CYBMUJFWSA-N 2 2 313.376 4.072 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000374574307 1045071824 /nfs/dbraw/zinc/07/18/24/1045071824.db2.gz GLUJQHRYMJBMLV-OALUTQOASA-N 2 2 311.473 4.070 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000374574382 1045073101 /nfs/dbraw/zinc/07/31/01/1045073101.db2.gz GWGUHAOJVMPMEG-UONOGXRCSA-N 2 2 303.475 4.044 20 0 DIADLP c1cn(CCCC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)c[nH+]1 ZINC000577425452 1045123271 /nfs/dbraw/zinc/12/32/71/1045123271.db2.gz ODWNFTDLRPCTAL-LEWJYISDSA-N 2 2 323.484 4.179 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000525857940 1045131643 /nfs/dbraw/zinc/13/16/43/1045131643.db2.gz LTRUPGHUZFRXPO-FQEVSTJZSA-N 2 2 311.473 4.493 20 0 DIADLP Cc1ccccc1C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccco1 ZINC000924734079 1045194799 /nfs/dbraw/zinc/19/47/99/1045194799.db2.gz XZJUOEYOBWIWPO-LJQANCHMSA-N 2 2 323.440 4.138 20 0 DIADLP FC(F)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000527229422 1045210091 /nfs/dbraw/zinc/21/00/91/1045210091.db2.gz RPYGARRIGNIOBH-UHFFFAOYSA-N 2 2 313.351 4.100 20 0 DIADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)c[nH+]1 ZINC000527643629 1045244205 /nfs/dbraw/zinc/24/42/05/1045244205.db2.gz VKTXAVJJLGLFOM-VQTJNVASSA-N 2 2 311.473 4.369 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527751848 1045259163 /nfs/dbraw/zinc/25/91/63/1045259163.db2.gz ICCQWFHRBVBGHR-YCPHGPKFSA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527751848 1045259176 /nfs/dbraw/zinc/25/91/76/1045259176.db2.gz ICCQWFHRBVBGHR-YCPHGPKFSA-N 2 2 318.427 4.104 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000449101443 1045346072 /nfs/dbraw/zinc/34/60/72/1045346072.db2.gz FCONUDNQLSJDKN-KRWDZBQOSA-N 2 2 319.452 4.284 20 0 DIADLP C/C(Cl)=C\C[N@@H+](C)[C@H]1CCC[NH+](C/C=C(/C)Cl)CC1 ZINC000528424387 1045356158 /nfs/dbraw/zinc/35/61/58/1045356158.db2.gz ZHJUMHUEBDXJIW-CDNSVDPNSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[N@H+](C)[C@H]1CCC[NH+](C/C=C(/C)Cl)CC1 ZINC000528424387 1045356161 /nfs/dbraw/zinc/35/61/61/1045356161.db2.gz ZHJUMHUEBDXJIW-CDNSVDPNSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[NH+](C)[C@H]1CCC[N@H+](C/C=C(/C)Cl)CC1 ZINC000528424387 1045356165 /nfs/dbraw/zinc/35/61/65/1045356165.db2.gz ZHJUMHUEBDXJIW-CDNSVDPNSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[NH+](C)[C@H]1CCC[N@@H+](C/C=C(/C)Cl)CC1 ZINC000528424387 1045356169 /nfs/dbraw/zinc/35/61/69/1045356169.db2.gz ZHJUMHUEBDXJIW-CDNSVDPNSA-N 2 2 305.293 4.058 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cc2ccoc2)c(C)c1 ZINC000449195355 1045358500 /nfs/dbraw/zinc/35/85/00/1045358500.db2.gz VCJCPEITQSQHQH-PXNSSMCTSA-N 2 2 323.440 4.055 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000449200221 1045362355 /nfs/dbraw/zinc/36/23/55/1045362355.db2.gz BKEYYXCRSSCFBS-OXQOHEQNSA-N 2 2 315.505 4.165 20 0 DIADLP Fc1cc2[nH+]ccc(NC3CC[NH+](C4CC4)CC3)c2cc1Cl ZINC000450233266 1045477723 /nfs/dbraw/zinc/47/77/23/1045477723.db2.gz OEQGCDZEEPJNLE-UHFFFAOYSA-N 2 2 319.811 4.066 20 0 DIADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000628371897 1045572479 /nfs/dbraw/zinc/57/24/79/1045572479.db2.gz MXDSYLLUOISQGP-GOSISDBHSA-N 2 2 321.468 4.132 20 0 DIADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CCCC2 ZINC000628371897 1045572487 /nfs/dbraw/zinc/57/24/87/1045572487.db2.gz MXDSYLLUOISQGP-GOSISDBHSA-N 2 2 321.468 4.132 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878018 1045584212 /nfs/dbraw/zinc/58/42/12/1045584212.db2.gz SCYWBYYHRVHRFZ-APWZRJJASA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878018 1045584224 /nfs/dbraw/zinc/58/42/24/1045584224.db2.gz SCYWBYYHRVHRFZ-APWZRJJASA-N 2 2 312.457 4.231 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000530371828 1045654963 /nfs/dbraw/zinc/65/49/63/1045654963.db2.gz AXPYMCRZWNLAFD-IUDNXUCKSA-N 2 2 322.880 4.016 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000629520346 1045675743 /nfs/dbraw/zinc/67/57/43/1045675743.db2.gz JRMQAYQEIHGKBE-YOEHRIQHSA-N 2 2 304.503 4.122 20 0 DIADLP CC(C)[NH2+]Cc1cccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)c1 ZINC000629732612 1045703339 /nfs/dbraw/zinc/70/33/39/1045703339.db2.gz VIPWGILZXOTVTD-UHFFFAOYSA-N 2 2 323.415 4.236 20 0 DIADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cccc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000629732042 1045705936 /nfs/dbraw/zinc/70/59/36/1045705936.db2.gz RVNPPFYQDUMBSE-FQEVSTJZSA-N 2 2 321.399 4.162 20 0 DIADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000237552071 1045867705 /nfs/dbraw/zinc/86/77/05/1045867705.db2.gz HAKFFTXOQJXULD-ZDUSSCGKSA-N 2 2 306.837 4.030 20 0 DIADLP C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000828766635 1045929516 /nfs/dbraw/zinc/92/95/16/1045929516.db2.gz UMAXDIOOOIIILZ-DOMZBBRYSA-N 2 2 324.255 4.107 20 0 DIADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1F ZINC001137679924 1045933259 /nfs/dbraw/zinc/93/32/59/1045933259.db2.gz CQODJCKSDCNPQV-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP Cc1cccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1F ZINC001137679924 1045933268 /nfs/dbraw/zinc/93/32/68/1045933268.db2.gz CQODJCKSDCNPQV-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP FCC[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224959 1045992622 /nfs/dbraw/zinc/99/26/22/1045992622.db2.gz CFWSXZVQWQXOBD-XJKSGUPXSA-N 2 2 321.827 4.144 20 0 DIADLP CCC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000902791920 1046071431 /nfs/dbraw/zinc/07/14/31/1046071431.db2.gz ZULRUYZULPAHLS-UZLBHIALSA-N 2 2 320.440 4.459 20 0 DIADLP C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902912366 1046107578 /nfs/dbraw/zinc/10/75/78/1046107578.db2.gz NSAISEJWXFPZGO-MRXNPFEDSA-N 2 2 303.409 4.212 20 0 DIADLP Cc1cc2cc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3)oc2cc1C ZINC000532195748 1046112469 /nfs/dbraw/zinc/11/24/69/1046112469.db2.gz WONMXMRPZUSULU-MRXNPFEDSA-N 2 2 311.429 4.377 20 0 DIADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532223668 1046119087 /nfs/dbraw/zinc/11/90/87/1046119087.db2.gz RWEYZCUNSZQNCZ-LJQANCHMSA-N 2 2 323.827 4.303 20 0 DIADLP C[C@H]([NH2+]CC(C)(C)CC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903087565 1046161642 /nfs/dbraw/zinc/16/16/42/1046161642.db2.gz MZYTZMOSYYDNQH-ZDUSSCGKSA-N 2 2 307.388 4.204 20 0 DIADLP C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903283243 1046221822 /nfs/dbraw/zinc/22/18/22/1046221822.db2.gz ISEVEROFOPDZTD-HOCLYGCPSA-N 2 2 315.486 4.197 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)CCC2 ZINC000903380919 1046260594 /nfs/dbraw/zinc/26/05/94/1046260594.db2.gz PTNQKMINELILJB-LEWJYISDSA-N 2 2 323.484 4.050 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)CCC2 ZINC000903380921 1046260939 /nfs/dbraw/zinc/26/09/39/1046260939.db2.gz PTNQKMINELILJB-RTWAWAEBSA-N 2 2 323.484 4.050 20 0 DIADLP CC[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1cccc(C)c1 ZINC000903379997 1046261182 /nfs/dbraw/zinc/26/11/82/1046261182.db2.gz JLTPVCYWUYTHLH-WOJBJXKFSA-N 2 2 311.473 4.124 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)CCC2 ZINC000903380920 1046262083 /nfs/dbraw/zinc/26/20/83/1046262083.db2.gz PTNQKMINELILJB-NHCUHLMSSA-N 2 2 323.484 4.050 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccnc1 ZINC000903383719 1046262729 /nfs/dbraw/zinc/26/27/29/1046262729.db2.gz NYGVMZWAALPLHT-LEWJYISDSA-N 2 2 323.484 4.132 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)c2ccccc21 ZINC000903384663 1046263155 /nfs/dbraw/zinc/26/31/55/1046263155.db2.gz SMMOFHOQTZSGKH-TYCQWZJGSA-N 2 2 323.484 4.303 20 0 DIADLP CCC[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903385222 1046264004 /nfs/dbraw/zinc/26/40/04/1046264004.db2.gz WHZXVJDZHJGQAO-VQTJNVASSA-N 2 2 311.473 4.205 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138684117 1046266549 /nfs/dbraw/zinc/26/65/49/1046266549.db2.gz DVDQSFSQZGPOOR-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138684117 1046266562 /nfs/dbraw/zinc/26/65/62/1046266562.db2.gz DVDQSFSQZGPOOR-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138723066 1046276295 /nfs/dbraw/zinc/27/62/95/1046276295.db2.gz CUELJAAMLBFQSB-OAHLLOKOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138723066 1046276311 /nfs/dbraw/zinc/27/63/11/1046276311.db2.gz CUELJAAMLBFQSB-OAHLLOKOSA-N 2 2 316.832 4.005 20 0 DIADLP Clc1c2ccccc2oc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000638086217 1046294486 /nfs/dbraw/zinc/29/44/86/1046294486.db2.gz QJDAFEHRBSMHQW-UHFFFAOYSA-N 2 2 315.804 4.189 20 0 DIADLP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908911 1046340877 /nfs/dbraw/zinc/34/08/77/1046340877.db2.gz PTKSDIQELAOOLA-MFKMUULPSA-N 2 2 324.337 4.071 20 0 DIADLP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908911 1046340888 /nfs/dbraw/zinc/34/08/88/1046340888.db2.gz PTKSDIQELAOOLA-MFKMUULPSA-N 2 2 324.337 4.071 20 0 DIADLP [NH3+][C@H](C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)CC(F)F ZINC000903922482 1046340958 /nfs/dbraw/zinc/34/09/58/1046340958.db2.gz XWPYTZUDPGFGCZ-RDJZCZTQSA-N 2 2 324.802 4.002 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001139012473 1046354419 /nfs/dbraw/zinc/35/44/19/1046354419.db2.gz PPTHSABYZCORDM-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001139012473 1046354423 /nfs/dbraw/zinc/35/44/23/1046354423.db2.gz PPTHSABYZCORDM-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1Oc1ccc(F)cc1 ZINC001139298600 1046427011 /nfs/dbraw/zinc/42/70/11/1046427011.db2.gz WUVFZKUKACBOOG-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1Oc1ccc(F)cc1 ZINC001139298600 1046427015 /nfs/dbraw/zinc/42/70/15/1046427015.db2.gz WUVFZKUKACBOOG-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP c1csc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001139360213 1046436445 /nfs/dbraw/zinc/43/64/45/1046436445.db2.gz LQTWSGFMWQVJIL-UHFFFAOYSA-N 2 2 323.465 4.313 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@@H+]1C ZINC000677655324 1046509921 /nfs/dbraw/zinc/50/99/21/1046509921.db2.gz ZSOGMWMBLLFYBA-RIEGTJTDSA-N 2 2 313.272 4.053 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@H+]1C ZINC000677655324 1046509925 /nfs/dbraw/zinc/50/99/25/1046509925.db2.gz ZSOGMWMBLLFYBA-RIEGTJTDSA-N 2 2 313.272 4.053 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001140028278 1046570322 /nfs/dbraw/zinc/57/03/22/1046570322.db2.gz QFPSZRBNBOCHDI-MSOLQXFVSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001140028278 1046570336 /nfs/dbraw/zinc/57/03/36/1046570336.db2.gz QFPSZRBNBOCHDI-MSOLQXFVSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377489 1046599753 /nfs/dbraw/zinc/59/97/53/1046599753.db2.gz MEPQJMXBWDCFAK-RCZSKKKRSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377489 1046599762 /nfs/dbraw/zinc/59/97/62/1046599762.db2.gz MEPQJMXBWDCFAK-RCZSKKKRSA-N 2 2 322.496 4.465 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3cnccc32)C2CCCC2)CC1 ZINC001140145524 1046602515 /nfs/dbraw/zinc/60/25/15/1046602515.db2.gz JVAVBORZWCCYGW-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3cnccc32)C2CCCC2)CC1 ZINC001140145524 1046602521 /nfs/dbraw/zinc/60/25/21/1046602521.db2.gz JVAVBORZWCCYGW-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000783598583 1046612941 /nfs/dbraw/zinc/61/29/41/1046612941.db2.gz JOVOZDXLQHQKNT-WMLDXEAASA-N 2 2 319.880 4.345 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000532968539 1046634045 /nfs/dbraw/zinc/63/40/45/1046634045.db2.gz HIJRFUSJZJWLID-DNVCBOLYSA-N 2 2 322.443 4.224 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000532968539 1046634047 /nfs/dbraw/zinc/63/40/47/1046634047.db2.gz HIJRFUSJZJWLID-DNVCBOLYSA-N 2 2 322.443 4.224 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000679127445 1046781309 /nfs/dbraw/zinc/78/13/09/1046781309.db2.gz CEQITVMGTGOTRS-YLJYHZDGSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000679127445 1046781323 /nfs/dbraw/zinc/78/13/23/1046781323.db2.gz CEQITVMGTGOTRS-YLJYHZDGSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000679127443 1046781377 /nfs/dbraw/zinc/78/13/77/1046781377.db2.gz CEQITVMGTGOTRS-XLIONFOSSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000679127443 1046781389 /nfs/dbraw/zinc/78/13/89/1046781389.db2.gz CEQITVMGTGOTRS-XLIONFOSSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(O)cc2)CCCC1)c1ccccc1 ZINC000679394746 1046836535 /nfs/dbraw/zinc/83/65/35/1046836535.db2.gz PDWVJIDFPUBWFS-QGZVFWFLSA-N 2 2 324.468 4.145 20 0 DIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(O)cc2)CCCC1)c1ccccc1 ZINC000679394745 1046837670 /nfs/dbraw/zinc/83/76/70/1046837670.db2.gz PDWVJIDFPUBWFS-KRWDZBQOSA-N 2 2 324.468 4.145 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000666785655 1046876375 /nfs/dbraw/zinc/87/63/75/1046876375.db2.gz RZPPBYJMKUXSQS-OAQYLSRUSA-N 2 2 319.452 4.148 20 0 DIADLP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806126 1046908078 /nfs/dbraw/zinc/90/80/78/1046908078.db2.gz VZCRBTWWBGZJAM-IBGZPJMESA-N 2 2 321.424 4.046 20 0 DIADLP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806126 1046908085 /nfs/dbraw/zinc/90/80/85/1046908085.db2.gz VZCRBTWWBGZJAM-IBGZPJMESA-N 2 2 321.424 4.046 20 0 DIADLP c1csc(-c2ccccc2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001141097039 1047011673 /nfs/dbraw/zinc/01/16/73/1047011673.db2.gz YTMDJAKXXPLNRI-UHFFFAOYSA-N 2 2 323.465 4.449 20 0 DIADLP c1cn(-c2cccc(C[N@@H+](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC001141244715 1047060480 /nfs/dbraw/zinc/06/04/80/1047060480.db2.gz SEYHNAPZCYWFFX-UHFFFAOYSA-N 2 2 303.409 4.037 20 0 DIADLP c1cn(-c2cccc(C[N@H+](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC001141244715 1047060495 /nfs/dbraw/zinc/06/04/95/1047060495.db2.gz SEYHNAPZCYWFFX-UHFFFAOYSA-N 2 2 303.409 4.037 20 0 DIADLP CC[N@H+](Cc1cccc(F)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244762 1047064119 /nfs/dbraw/zinc/06/41/19/1047064119.db2.gz URCKLNDPGBMGPZ-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244762 1047064125 /nfs/dbraw/zinc/06/41/25/1047064125.db2.gz URCKLNDPGBMGPZ-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000379635970 1047082798 /nfs/dbraw/zinc/08/27/98/1047082798.db2.gz WOJOLJBDGYKNQJ-UHFFFAOYSA-N 2 2 321.468 4.168 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000379635970 1047082814 /nfs/dbraw/zinc/08/28/14/1047082814.db2.gz WOJOLJBDGYKNQJ-UHFFFAOYSA-N 2 2 321.468 4.168 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121702246 1047103621 /nfs/dbraw/zinc/10/36/21/1047103621.db2.gz IDEMZIQWMCAUAT-UHFFFAOYSA-N 2 2 323.484 4.055 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000536832617 1047113150 /nfs/dbraw/zinc/11/31/50/1047113150.db2.gz JUPAOFCFVGXGSU-PKOBYXMFSA-N 2 2 323.440 4.493 20 0 DIADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCCC2)o1 ZINC000537166319 1047144959 /nfs/dbraw/zinc/14/49/59/1047144959.db2.gz ARQNOSJUZOKMHP-LJQANCHMSA-N 2 2 302.462 4.036 20 0 DIADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1F ZINC001116575917 1047158660 /nfs/dbraw/zinc/15/86/60/1047158660.db2.gz LBGWKJDURAAQGB-UHFFFAOYSA-N 2 2 315.417 4.095 20 0 DIADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1F ZINC001116575917 1047158662 /nfs/dbraw/zinc/15/86/62/1047158662.db2.gz LBGWKJDURAAQGB-UHFFFAOYSA-N 2 2 315.417 4.095 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000537295578 1047161870 /nfs/dbraw/zinc/16/18/70/1047161870.db2.gz JRPHUUMKCCCFGF-HNNXBMFYSA-N 2 2 311.429 4.241 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000387362864 1047283329 /nfs/dbraw/zinc/28/33/29/1047283329.db2.gz QJELOQDNNYVSJK-NVXWUHKLSA-N 2 2 315.486 4.125 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000841745575 1047449076 /nfs/dbraw/zinc/44/90/76/1047449076.db2.gz QGWBUKYKPKPREW-MPTYRVRUSA-N 2 2 317.502 4.141 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000537615157 1047453501 /nfs/dbraw/zinc/45/35/01/1047453501.db2.gz MHDOMMUIQWEICP-SJLPKXTDSA-N 2 2 312.457 4.170 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000537615157 1047453506 /nfs/dbraw/zinc/45/35/06/1047453506.db2.gz MHDOMMUIQWEICP-SJLPKXTDSA-N 2 2 312.457 4.170 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000537615157 1047453511 /nfs/dbraw/zinc/45/35/11/1047453511.db2.gz MHDOMMUIQWEICP-SJLPKXTDSA-N 2 2 312.457 4.170 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000537615157 1047453515 /nfs/dbraw/zinc/45/35/15/1047453515.db2.gz MHDOMMUIQWEICP-SJLPKXTDSA-N 2 2 312.457 4.170 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123838543 1047455719 /nfs/dbraw/zinc/45/57/19/1047455719.db2.gz KUDPIUJFXTXQMN-LSDHHAIUSA-N 2 2 317.864 4.089 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123838543 1047455721 /nfs/dbraw/zinc/45/57/21/1047455721.db2.gz KUDPIUJFXTXQMN-LSDHHAIUSA-N 2 2 317.864 4.089 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168333739 1047479760 /nfs/dbraw/zinc/47/97/60/1047479760.db2.gz CSCAYNNVSGITRM-VMWRSERWSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168333739 1047479762 /nfs/dbraw/zinc/47/97/62/1047479762.db2.gz CSCAYNNVSGITRM-VMWRSERWSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1csc(Cl)c1 ZINC001142776018 1047493236 /nfs/dbraw/zinc/49/32/36/1047493236.db2.gz QURCTTCSGZWEBI-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1csc(Cl)c1 ZINC001142776018 1047493242 /nfs/dbraw/zinc/49/32/42/1047493242.db2.gz QURCTTCSGZWEBI-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1csc(Cl)c1 ZINC001142776018 1047493248 /nfs/dbraw/zinc/49/32/48/1047493248.db2.gz QURCTTCSGZWEBI-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1csc(Cl)c1 ZINC001142776018 1047493252 /nfs/dbraw/zinc/49/32/52/1047493252.db2.gz QURCTTCSGZWEBI-LSDHHAIUSA-N 2 2 312.910 4.240 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000120494795 1047494169 /nfs/dbraw/zinc/49/41/69/1047494169.db2.gz UTLLGMDWQLMRRV-GOSISDBHSA-N 2 2 319.452 4.083 20 0 DIADLP COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090723841 1047509740 /nfs/dbraw/zinc/50/97/40/1047509740.db2.gz AMRDLTHVNKEHPY-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1F ZINC001168351109 1047547774 /nfs/dbraw/zinc/54/77/74/1047547774.db2.gz DMZIBPPHLRJTOI-GFCCVEGCSA-N 2 2 310.844 4.004 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000538720079 1047699856 /nfs/dbraw/zinc/69/98/56/1047699856.db2.gz FEJSJXRGJISVDD-GJZGRUSLSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000538720079 1047699861 /nfs/dbraw/zinc/69/98/61/1047699861.db2.gz FEJSJXRGJISVDD-GJZGRUSLSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720079 1047699865 /nfs/dbraw/zinc/69/98/65/1047699865.db2.gz FEJSJXRGJISVDD-GJZGRUSLSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720079 1047699870 /nfs/dbraw/zinc/69/98/70/1047699870.db2.gz FEJSJXRGJISVDD-GJZGRUSLSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000538720081 1047699915 /nfs/dbraw/zinc/69/99/15/1047699915.db2.gz FEJSJXRGJISVDD-LSDHHAIUSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000538720081 1047699921 /nfs/dbraw/zinc/69/99/21/1047699921.db2.gz FEJSJXRGJISVDD-LSDHHAIUSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720081 1047699924 /nfs/dbraw/zinc/69/99/24/1047699924.db2.gz FEJSJXRGJISVDD-LSDHHAIUSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720081 1047699927 /nfs/dbraw/zinc/69/99/27/1047699927.db2.gz FEJSJXRGJISVDD-LSDHHAIUSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001206660833 1047718202 /nfs/dbraw/zinc/71/82/02/1047718202.db2.gz KKAMNQOEDRFRKB-IAGOWNOFSA-N 2 2 314.473 4.074 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243188 1047743760 /nfs/dbraw/zinc/74/37/60/1047743760.db2.gz JZIGPKZWPIRQAK-QWRGUYRKSA-N 2 2 319.251 4.267 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243188 1047743764 /nfs/dbraw/zinc/74/37/64/1047743764.db2.gz JZIGPKZWPIRQAK-QWRGUYRKSA-N 2 2 319.251 4.267 20 0 DIADLP c1c[nH+]c(N2CCCCC2)c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001159167732 1047817447 /nfs/dbraw/zinc/81/74/47/1047817447.db2.gz PUGDXOIETPZXOG-SFHVURJKSA-N 2 2 322.456 4.240 20 0 DIADLP Clc1ccc2c(Nc3ccc4c(c3)CC[NH2+]C4)cc[nH+]c2c1 ZINC001159254968 1047825064 /nfs/dbraw/zinc/82/50/64/1047825064.db2.gz REILGRVIRVFPBT-UHFFFAOYSA-N 2 2 309.800 4.278 20 0 DIADLP c1c[nH+]c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c(N2CCCCC2)c1 ZINC001159363976 1047834761 /nfs/dbraw/zinc/83/47/61/1047834761.db2.gz GTGNOYZYMHVPPJ-SFHVURJKSA-N 2 2 322.456 4.240 20 0 DIADLP c1c[nH+]c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c(N2CCCCC2)c1 ZINC001159363975 1047835305 /nfs/dbraw/zinc/83/53/05/1047835305.db2.gz GTGNOYZYMHVPPJ-GOSISDBHSA-N 2 2 322.456 4.240 20 0 DIADLP Cc1ccc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)c(C)[nH+]1 ZINC001159392384 1047839751 /nfs/dbraw/zinc/83/97/51/1047839751.db2.gz YWLCVSKBVMSRTP-APHBMKBZSA-N 2 2 310.445 4.068 20 0 DIADLP Cc1c[nH+]cc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)c1C ZINC001159392127 1047839945 /nfs/dbraw/zinc/83/99/45/1047839945.db2.gz WLCCPQLDJWSUHN-DAXOMENPSA-N 2 2 310.445 4.068 20 0 DIADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(C3CCCCC3)cc2)C1 ZINC001182865289 1047853070 /nfs/dbraw/zinc/85/30/70/1047853070.db2.gz WTMHGXCLLRUSAD-OAQYLSRUSA-N 2 2 314.517 4.351 20 0 DIADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(C3CCCCC3)cc2)C1 ZINC001182865289 1047853083 /nfs/dbraw/zinc/85/30/83/1047853083.db2.gz WTMHGXCLLRUSAD-OAQYLSRUSA-N 2 2 314.517 4.351 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918985 1047855977 /nfs/dbraw/zinc/85/59/77/1047855977.db2.gz UMQYGKGTQXQPSQ-HNAYVOBHSA-N 2 2 320.908 4.268 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182918985 1047855991 /nfs/dbraw/zinc/85/59/91/1047855991.db2.gz UMQYGKGTQXQPSQ-HNAYVOBHSA-N 2 2 320.908 4.268 20 0 DIADLP [NH3+][C@H]1CCC[C@@H](Nc2cc(SCc3ccccc3)cc[nH+]2)C1 ZINC001159538267 1047861453 /nfs/dbraw/zinc/86/14/53/1047861453.db2.gz XLVHWPDFENMHCG-JKSUJKDBSA-N 2 2 313.470 4.056 20 0 DIADLP c1cc([NH+]2CCCCC2)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159539786 1047862059 /nfs/dbraw/zinc/86/20/59/1047862059.db2.gz MTXGKUZCYPIRJD-UHFFFAOYSA-N 2 2 307.441 4.066 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479330445 1047868370 /nfs/dbraw/zinc/86/83/70/1047868370.db2.gz YAYBEBBFFPFSHN-GOSISDBHSA-N 2 2 310.432 4.126 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001182929597 1047869443 /nfs/dbraw/zinc/86/94/43/1047869443.db2.gz CNWNDXGATVTAKI-RYQLBKOJSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001182929597 1047869455 /nfs/dbraw/zinc/86/94/55/1047869455.db2.gz CNWNDXGATVTAKI-RYQLBKOJSA-N 2 2 306.881 4.050 20 0 DIADLP CCCc1cccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000479379482 1047875817 /nfs/dbraw/zinc/87/58/17/1047875817.db2.gz GQVZZKKYCCQVHW-UHFFFAOYSA-N 2 2 305.425 4.115 20 0 DIADLP c1cc([NH+]2CCCCC2)ccc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC001159615485 1047883594 /nfs/dbraw/zinc/88/35/94/1047883594.db2.gz FIYMRFWKBJJIAG-UHFFFAOYSA-N 2 2 307.441 4.066 20 0 DIADLP CN(c1ccc(Nc2cccc(C[NH3+])c2)c[nH+]1)C1CCCCC1 ZINC001159649012 1047893749 /nfs/dbraw/zinc/89/37/49/1047893749.db2.gz JYUXHCIKJYJODB-UHFFFAOYSA-N 2 2 310.445 4.053 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc([C@@H]4CC[NH2+]C4)cc3)ccc21 ZINC001159776074 1047921807 /nfs/dbraw/zinc/92/18/07/1047921807.db2.gz QRUFDOLVCMMFGT-MRXNPFEDSA-N 2 2 320.440 4.438 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000479578836 1047935229 /nfs/dbraw/zinc/93/52/29/1047935229.db2.gz MEBYGAUQZLRNOJ-XLIONFOSSA-N 2 2 309.457 4.013 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183498544 1047937400 /nfs/dbraw/zinc/93/74/00/1047937400.db2.gz GLVAXTZNWAZQRQ-DFQSSKMNSA-N 2 2 309.457 4.206 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001183498549 1047937530 /nfs/dbraw/zinc/93/75/30/1047937530.db2.gz GLVAXTZNWAZQRQ-YSIASYRMSA-N 2 2 309.457 4.206 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3CC3CCC3)cc2)c[nH+]1 ZINC001174781642 1047971630 /nfs/dbraw/zinc/97/16/30/1047971630.db2.gz YGBPORWATVFTND-FQEVSTJZSA-N 2 2 309.457 4.417 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3CC3CCC3)cc2)c[nH+]1 ZINC001174781642 1047971636 /nfs/dbraw/zinc/97/16/36/1047971636.db2.gz YGBPORWATVFTND-FQEVSTJZSA-N 2 2 309.457 4.417 20 0 DIADLP Cc1cc[nH+]c(C(C)C)c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174814645 1047980899 /nfs/dbraw/zinc/98/08/99/1047980899.db2.gz RHZIKJWRDVALHR-UHFFFAOYSA-N 2 2 324.472 4.009 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2oc3ccccc3c2c1 ZINC000774743959 1048033001 /nfs/dbraw/zinc/03/30/01/1048033001.db2.gz HZOZENRJVQFTPE-UHFFFAOYSA-N 2 2 319.408 4.305 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2oc3ccccc3c2c1 ZINC000774743959 1048033011 /nfs/dbraw/zinc/03/30/11/1048033011.db2.gz HZOZENRJVQFTPE-UHFFFAOYSA-N 2 2 319.408 4.305 20 0 DIADLP [NH3+]Cc1ccc(Nc2ccc3c([nH+]2)CCCC3)c(C(F)(F)F)c1 ZINC001160419716 1048048205 /nfs/dbraw/zinc/04/82/05/1048048205.db2.gz UTYWYCTWOBBAKH-UHFFFAOYSA-N 2 2 321.346 4.182 20 0 DIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1[nH+]ccc3cc(Cl)ccc31)C2 ZINC001160469609 1048052329 /nfs/dbraw/zinc/05/23/29/1048052329.db2.gz XZHFXYZAFZAWAU-PHZGNYQRSA-N 2 2 315.848 4.315 20 0 DIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1[nH+]ccc3cc(Cl)ccc31)C2 ZINC001160469609 1048052344 /nfs/dbraw/zinc/05/23/44/1048052344.db2.gz XZHFXYZAFZAWAU-PHZGNYQRSA-N 2 2 315.848 4.315 20 0 DIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480275588 1048108457 /nfs/dbraw/zinc/10/84/57/1048108457.db2.gz RWVFEIKQGIZJJV-OCCSQVGLSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000480275588 1048108465 /nfs/dbraw/zinc/10/84/65/1048108465.db2.gz RWVFEIKQGIZJJV-OCCSQVGLSA-N 2 2 312.910 4.144 20 0 DIADLP CC(C)c1ccc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]c1 ZINC001161233110 1048114991 /nfs/dbraw/zinc/11/49/91/1048114991.db2.gz JGRCPHDEXRJXPW-UHFFFAOYSA-N 2 2 301.478 4.129 20 0 DIADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2c[nH+]c(C)n2C)o1 ZINC000667658065 1048119301 /nfs/dbraw/zinc/11/93/01/1048119301.db2.gz YQEYEPOGHULCLL-KRWDZBQOSA-N 2 2 301.434 4.001 20 0 DIADLP CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2c[nH+]c(C)n2C)o1 ZINC000667658065 1048119309 /nfs/dbraw/zinc/11/93/09/1048119309.db2.gz YQEYEPOGHULCLL-KRWDZBQOSA-N 2 2 301.434 4.001 20 0 DIADLP CCC(C)(C)C1CCC([NH2+]C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001200872075 1048151875 /nfs/dbraw/zinc/15/18/75/1048151875.db2.gz IJQNUEOCGKWZAG-LEOMRAHMSA-N 2 2 312.567 4.008 20 0 DIADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001200922524 1048158280 /nfs/dbraw/zinc/15/82/80/1048158280.db2.gz MKNREMYTLNQLHT-UHFFFAOYSA-N 2 2 308.510 4.484 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H](c2ccccc2)C1 ZINC001200900851 1048161800 /nfs/dbraw/zinc/16/18/00/1048161800.db2.gz CCFSPGMTGWKFPQ-DFQSSKMNSA-N 2 2 323.484 4.446 20 0 DIADLP C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480676707 1048215283 /nfs/dbraw/zinc/21/52/83/1048215283.db2.gz ONFAPWCCQBGJIH-QGZVFWFLSA-N 2 2 317.436 4.298 20 0 DIADLP COc1cc[nH+]c(C(C)(C)CNc2[nH+]ccc3cccc(C)c32)c1 ZINC001162131362 1048229367 /nfs/dbraw/zinc/22/93/67/1048229367.db2.gz VCOZZJGGJCXDDL-UHFFFAOYSA-N 2 2 321.424 4.337 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000480751032 1048233714 /nfs/dbraw/zinc/23/37/14/1048233714.db2.gz PSTWRGGXBITNNK-HUUCEWRRSA-N 2 2 311.454 4.351 20 0 DIADLP C[C@H](CC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000774936127 1048234872 /nfs/dbraw/zinc/23/48/72/1048234872.db2.gz QHUYSEMPWTYKOK-GOSISDBHSA-N 2 2 323.484 4.044 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000480762685 1048239407 /nfs/dbraw/zinc/23/94/07/1048239407.db2.gz KTDMYERLOHUFDA-SJORKVTESA-N 2 2 321.424 4.415 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776158682 1048242991 /nfs/dbraw/zinc/24/29/91/1048242991.db2.gz SYUYJHHGDCZISA-MSOLQXFVSA-N 2 2 315.436 4.104 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776158686 1048244135 /nfs/dbraw/zinc/24/41/35/1048244135.db2.gz SYUYJHHGDCZISA-ROUUACIJSA-N 2 2 315.436 4.104 20 0 DIADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000480802606 1048249942 /nfs/dbraw/zinc/24/99/42/1048249942.db2.gz HESGXBQZMHXRKV-WOJBJXKFSA-N 2 2 311.473 4.236 20 0 DIADLP CC(C)c1cc(NCC[C@H](C)[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC001186078963 1048258947 /nfs/dbraw/zinc/25/89/47/1048258947.db2.gz IEDFGPHQUFLFOZ-INIZCTEOSA-N 2 2 318.509 4.400 20 0 DIADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059859 1048304672 /nfs/dbraw/zinc/30/46/72/1048304672.db2.gz YPNHHPFHXPCSCW-GHMZBOCLSA-N 2 2 321.317 4.437 20 0 DIADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059859 1048304657 /nfs/dbraw/zinc/30/46/57/1048304657.db2.gz YPNHHPFHXPCSCW-GHMZBOCLSA-N 2 2 321.317 4.437 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(-n2c3ccccc3nc2[C@H](C)[NH3+])c1 ZINC001162779130 1048357526 /nfs/dbraw/zinc/35/75/26/1048357526.db2.gz UYLKYVQEDBSPOJ-HNNXBMFYSA-N 2 2 322.456 4.200 20 0 DIADLP Clc1cscc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000776231202 1048429785 /nfs/dbraw/zinc/42/97/85/1048429785.db2.gz OPHZKSPKUUJOKO-UHFFFAOYSA-N 2 2 312.910 4.288 20 0 DIADLP CC(C)c1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC001163211321 1048436169 /nfs/dbraw/zinc/43/61/69/1048436169.db2.gz DKRURCHODPEQRM-APWZRJJASA-N 2 2 324.472 4.239 20 0 DIADLP Cc1cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC001163248953 1048444525 /nfs/dbraw/zinc/44/45/25/1048444525.db2.gz OBLMJJRGRPUQMQ-DNVCBOLYSA-N 2 2 324.472 4.074 20 0 DIADLP c1ccc2c(c1)cc[nH+]c2NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001163315704 1048450319 /nfs/dbraw/zinc/45/03/19/1048450319.db2.gz QOJKVEOUAUHCDH-KRWDZBQOSA-N 2 2 321.468 4.467 20 0 DIADLP CC1(C)C(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1(C)C ZINC001202119773 1048455835 /nfs/dbraw/zinc/45/58/35/1048455835.db2.gz UUFCBEGKXHCFCF-KRWDZBQOSA-N 2 2 314.517 4.311 20 0 DIADLP CC1(C)C(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1(C)C ZINC001202119773 1048455841 /nfs/dbraw/zinc/45/58/41/1048455841.db2.gz UUFCBEGKXHCFCF-KRWDZBQOSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001202150719 1048474781 /nfs/dbraw/zinc/47/47/81/1048474781.db2.gz KVXFQMFWXSHXRI-ZWKOTPCHSA-N 2 2 306.538 4.447 20 0 DIADLP CS[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001202151711 1048475108 /nfs/dbraw/zinc/47/51/08/1048475108.db2.gz XECSHPDILXEGTE-QZTJIDSGSA-N 2 2 324.578 4.297 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000481972104 1048538217 /nfs/dbraw/zinc/53/82/17/1048538217.db2.gz JDDQINJSERQBRR-AWEZNQCLSA-N 2 2 324.896 4.264 20 0 DIADLP Cc1cc(NCc2cccc(C[NH+](C)C)c2)[nH+]cc1C(F)(F)F ZINC001163992653 1048566084 /nfs/dbraw/zinc/56/60/84/1048566084.db2.gz HZTCHDWHUZXFIJ-UHFFFAOYSA-N 2 2 323.362 4.083 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)c(Cl)c1 ZINC000482245449 1048572598 /nfs/dbraw/zinc/57/25/98/1048572598.db2.gz ZRKORROMULHZMW-CYBMUJFWSA-N 2 2 321.827 4.417 20 0 DIADLP Cc1cc[nH+]c2cc(Nc3ccc(OCC[NH+](C)C)cc3)ccc12 ZINC001176228357 1048610553 /nfs/dbraw/zinc/61/05/53/1048610553.db2.gz JPSNDSSPCJOISZ-UHFFFAOYSA-N 2 2 321.424 4.227 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251604102 1048667177 /nfs/dbraw/zinc/66/71/77/1048667177.db2.gz DGHZFARMTJTKST-FIXISWKDSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251604102 1048667182 /nfs/dbraw/zinc/66/71/82/1048667182.db2.gz DGHZFARMTJTKST-FIXISWKDSA-N 2 2 301.261 4.114 20 0 DIADLP Cc1ccc2cc(NCC3C[NH+](Cc4ccccc4)C3)[nH+]cc2c1 ZINC001165426740 1048688835 /nfs/dbraw/zinc/68/88/35/1048688835.db2.gz AIJCOTFRXHHUGB-UHFFFAOYSA-N 2 2 317.436 4.087 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000483131002 1048741690 /nfs/dbraw/zinc/74/16/90/1048741690.db2.gz AOOKGRRYQQWNLH-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000483130340 1048741713 /nfs/dbraw/zinc/74/17/13/1048741713.db2.gz NSYXYPRPVZZASP-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc(C)c1F ZINC000483128739 1048742625 /nfs/dbraw/zinc/74/26/25/1048742625.db2.gz QHRIZZTYLAJJBZ-INIZCTEOSA-N 2 2 323.415 4.479 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000483143225 1048744347 /nfs/dbraw/zinc/74/43/47/1048744347.db2.gz OHFWHYKUUBXURS-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)s1 ZINC000483135034 1048745497 /nfs/dbraw/zinc/74/54/97/1048745497.db2.gz DWLYJMYJDMSYLN-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000483307702 1048775120 /nfs/dbraw/zinc/77/51/20/1048775120.db2.gz NSKMINLKKWSKOA-KRWDZBQOSA-N 2 2 315.505 4.167 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(C)c(C)cc1C)CCC2 ZINC000483441293 1048799516 /nfs/dbraw/zinc/79/95/16/1048799516.db2.gz PZBMNGZMIWHJOU-ZWKOTPCHSA-N 2 2 311.473 4.345 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]CC[NH+]2CCCC2)c(C)c1 ZINC001177111899 1048831847 /nfs/dbraw/zinc/83/18/47/1048831847.db2.gz DBBAHNMMFDFCQG-UHFFFAOYSA-N 2 2 308.469 4.156 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccco1 ZINC000483732299 1048850116 /nfs/dbraw/zinc/85/01/16/1048850116.db2.gz MFQHDDWFCPFCJE-GRDNDAEWSA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccco1 ZINC000483732299 1048850126 /nfs/dbraw/zinc/85/01/26/1048850126.db2.gz MFQHDDWFCPFCJE-GRDNDAEWSA-N 2 2 304.459 4.075 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000251899905 1048854329 /nfs/dbraw/zinc/85/43/29/1048854329.db2.gz WSTISFRHRYCVIF-HFAKWTLXSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000251899905 1048854353 /nfs/dbraw/zinc/85/43/53/1048854353.db2.gz WSTISFRHRYCVIF-HFAKWTLXSA-N 2 2 301.261 4.114 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC001177308494 1048875508 /nfs/dbraw/zinc/87/55/08/1048875508.db2.gz UXLWPPDOBBOSKK-KBPBESRZSA-N 2 2 313.272 4.018 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC001177308494 1048875518 /nfs/dbraw/zinc/87/55/18/1048875518.db2.gz UXLWPPDOBBOSKK-KBPBESRZSA-N 2 2 313.272 4.018 20 0 DIADLP CC1(C)CCC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001203471393 1048909561 /nfs/dbraw/zinc/90/95/61/1048909561.db2.gz OECGDLFKKMGBGK-HKUYNNGSSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(Cl)c1 ZINC000484292215 1048920274 /nfs/dbraw/zinc/92/02/74/1048920274.db2.gz IBRVZQLFOYRRFE-GFCCVEGCSA-N 2 2 307.800 4.027 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000194880702 1048940016 /nfs/dbraw/zinc/94/00/16/1048940016.db2.gz NUXCVJZDHBLCKR-HNNXBMFYSA-N 2 2 315.486 4.346 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC001178249381 1049000756 /nfs/dbraw/zinc/00/07/56/1049000756.db2.gz OHSFCJIFWMJKSR-ZHALLVOQSA-N 2 2 315.505 4.023 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001203922442 1049032262 /nfs/dbraw/zinc/03/22/62/1049032262.db2.gz UNAINANSOZVAGT-UHFFFAOYSA-N 2 2 306.881 4.179 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001203922442 1049032276 /nfs/dbraw/zinc/03/22/76/1049032276.db2.gz UNAINANSOZVAGT-UHFFFAOYSA-N 2 2 306.881 4.179 20 0 DIADLP Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001178408881 1049035371 /nfs/dbraw/zinc/03/53/71/1049035371.db2.gz ISFOYNKKFFXTPP-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000261758787 1049077235 /nfs/dbraw/zinc/07/72/35/1049077235.db2.gz CSGFWSOABMXBBA-CQSZACIVSA-N 2 2 317.502 4.157 20 0 DIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261758787 1049077241 /nfs/dbraw/zinc/07/72/41/1049077241.db2.gz CSGFWSOABMXBBA-CQSZACIVSA-N 2 2 317.502 4.157 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001204111112 1049085971 /nfs/dbraw/zinc/08/59/71/1049085971.db2.gz OOPFJFADYVJCTJ-LLVKDONJSA-N 2 2 321.267 4.343 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H]1C ZINC001178790845 1049089490 /nfs/dbraw/zinc/08/94/90/1049089490.db2.gz FJKXYMFUWGURRQ-RBSFLKMASA-N 2 2 317.864 4.440 20 0 DIADLP CC[N@H+](Cc1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001204134531 1049091126 /nfs/dbraw/zinc/09/11/26/1049091126.db2.gz FONQPEQJLHXYRI-UHFFFAOYSA-N 2 2 308.469 4.270 20 0 DIADLP CC[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001204134531 1049091138 /nfs/dbraw/zinc/09/11/38/1049091138.db2.gz FONQPEQJLHXYRI-UHFFFAOYSA-N 2 2 308.469 4.270 20 0 DIADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC001179082186 1049128372 /nfs/dbraw/zinc/12/83/72/1049128372.db2.gz VQVDPWGOXXXYMQ-UHFFFAOYSA-N 2 2 316.445 4.139 20 0 DIADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC001179082186 1049128388 /nfs/dbraw/zinc/12/83/88/1049128388.db2.gz VQVDPWGOXXXYMQ-UHFFFAOYSA-N 2 2 316.445 4.139 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCC[C@@H](C)C1 ZINC001192793117 1049138027 /nfs/dbraw/zinc/13/80/27/1049138027.db2.gz WRYVGEUGGGNCLY-IMFGXOCKSA-N 2 2 311.473 4.349 20 0 DIADLP CCc1ccccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001179232795 1049146094 /nfs/dbraw/zinc/14/60/94/1049146094.db2.gz SPQXZSTZABMWCX-HXUWFJFHSA-N 2 2 319.452 4.056 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC23CC3)C[N@@H+]1Cc1ccccc1 ZINC001179304859 1049152155 /nfs/dbraw/zinc/15/21/55/1049152155.db2.gz VSKYLZJMSKJNBY-RTBURBONSA-N 2 2 312.501 4.209 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC23CC3)C[N@H+]1Cc1ccccc1 ZINC001179304859 1049152157 /nfs/dbraw/zinc/15/21/57/1049152157.db2.gz VSKYLZJMSKJNBY-RTBURBONSA-N 2 2 312.501 4.209 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@@H](C)c2nccc3ccccc32)CC1 ZINC001204410277 1049157869 /nfs/dbraw/zinc/15/78/69/1049157869.db2.gz CDXMWKVYIOUHQW-INIZCTEOSA-N 2 2 311.473 4.102 20 0 DIADLP Cc1cccc([C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C(C)C)c1 ZINC000858286830 1049236260 /nfs/dbraw/zinc/23/62/60/1049236260.db2.gz HYBBBPYRMUQMBS-GOSISDBHSA-N 2 2 317.502 4.000 20 0 DIADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccc2Cl)o1 ZINC001204745390 1049251579 /nfs/dbraw/zinc/25/15/79/1049251579.db2.gz FZHHFXSDEHBKRB-UHFFFAOYSA-N 2 2 320.864 4.374 20 0 DIADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccc2Cl)o1 ZINC001204745390 1049251587 /nfs/dbraw/zinc/25/15/87/1049251587.db2.gz FZHHFXSDEHBKRB-UHFFFAOYSA-N 2 2 320.864 4.374 20 0 DIADLP Cc1cc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001204810713 1049274194 /nfs/dbraw/zinc/27/41/94/1049274194.db2.gz YWPUXZOAKRXKNV-FQEVSTJZSA-N 2 2 312.432 4.033 20 0 DIADLP Cc1cc(C[N@H+]2CC[C@](C)([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001204810713 1049274209 /nfs/dbraw/zinc/27/42/09/1049274209.db2.gz YWPUXZOAKRXKNV-FQEVSTJZSA-N 2 2 312.432 4.033 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099259 1049287360 /nfs/dbraw/zinc/28/73/60/1049287360.db2.gz XIKGBECDBUWRAY-OFQRWUPVSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099259 1049287369 /nfs/dbraw/zinc/28/73/69/1049287369.db2.gz XIKGBECDBUWRAY-OFQRWUPVSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c2ccsc2S1 ZINC001180099259 1049287382 /nfs/dbraw/zinc/28/73/82/1049287382.db2.gz XIKGBECDBUWRAY-OFQRWUPVSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCC[N@H+]2C)c2ccsc2S1 ZINC001180099259 1049287392 /nfs/dbraw/zinc/28/73/92/1049287392.db2.gz XIKGBECDBUWRAY-OFQRWUPVSA-N 2 2 324.559 4.480 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)ccc21 ZINC001204940462 1049317053 /nfs/dbraw/zinc/31/70/53/1049317053.db2.gz XSEFJSFZSRYNSM-OAQYLSRUSA-N 2 2 321.468 4.128 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@](C)([NH3+])C3)ccc21 ZINC001204940462 1049317065 /nfs/dbraw/zinc/31/70/65/1049317065.db2.gz XSEFJSFZSRYNSM-OAQYLSRUSA-N 2 2 321.468 4.128 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)cc2)c1 ZINC001204945032 1049319744 /nfs/dbraw/zinc/31/97/44/1049319744.db2.gz DFMLWTLYXKHMPA-OAQYLSRUSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)cc2)c1 ZINC001204945032 1049319750 /nfs/dbraw/zinc/31/97/50/1049319750.db2.gz DFMLWTLYXKHMPA-OAQYLSRUSA-N 2 2 323.484 4.076 20 0 DIADLP c1cn2ccc(Nc3ccc(CC[NH+]4CCCCC4)cc3)cc2[nH+]1 ZINC001205005655 1049338094 /nfs/dbraw/zinc/33/80/94/1049338094.db2.gz JIIVDWIUVGQYPH-UHFFFAOYSA-N 2 2 320.440 4.106 20 0 DIADLP CC(C)C1CCC(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001205379705 1049454103 /nfs/dbraw/zinc/45/41/03/1049454103.db2.gz JFHNZWOZXRKGQE-JLAWEPINSA-N 2 2 317.521 4.137 20 0 DIADLP CC(C)C1CCC(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001205379705 1049454105 /nfs/dbraw/zinc/45/41/05/1049454105.db2.gz JFHNZWOZXRKGQE-JLAWEPINSA-N 2 2 317.521 4.137 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2ccccc2[nH]1 ZINC000775625798 1049455432 /nfs/dbraw/zinc/45/54/32/1049455432.db2.gz DEFODYOUFBELQL-OAHLLOKOSA-N 2 2 308.429 4.106 20 0 DIADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001181436715 1049482609 /nfs/dbraw/zinc/48/26/09/1049482609.db2.gz YZFHECLTRDRYJM-BEFAXECRSA-N 2 2 314.473 4.074 20 0 DIADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001181436715 1049482618 /nfs/dbraw/zinc/48/26/18/1049482618.db2.gz YZFHECLTRDRYJM-BEFAXECRSA-N 2 2 314.473 4.074 20 0 DIADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000486983820 1049503956 /nfs/dbraw/zinc/50/39/56/1049503956.db2.gz CZPVPDWVANDZHF-UHFFFAOYSA-N 2 2 324.896 4.091 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001205650225 1049523371 /nfs/dbraw/zinc/52/33/71/1049523371.db2.gz HRDYQXUTTVNRRW-IBGZPJMESA-N 2 2 316.533 4.237 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001205650225 1049523382 /nfs/dbraw/zinc/52/33/82/1049523382.db2.gz HRDYQXUTTVNRRW-IBGZPJMESA-N 2 2 316.533 4.237 20 0 DIADLP CC[C@H]1Cc2c(cccc2-c2cccc(Cn3cc[nH+]c3)c2)C[NH2+]1 ZINC000863690850 1049589199 /nfs/dbraw/zinc/58/91/99/1049589199.db2.gz XQNPVSFPWVZMPY-IBGZPJMESA-N 2 2 317.436 4.023 20 0 DIADLP c1cn(Cc2cccc(-c3cccc(C4CC[NH2+]CC4)c3)c2)c[nH+]1 ZINC000863690254 1049589527 /nfs/dbraw/zinc/58/95/27/1049589527.db2.gz NTVBLTHEEBZFBV-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001205908398 1049599693 /nfs/dbraw/zinc/59/96/93/1049599693.db2.gz SGSSLVBEGRTRRM-KRWDZBQOSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001205908398 1049599702 /nfs/dbraw/zinc/59/97/02/1049599702.db2.gz SGSSLVBEGRTRRM-KRWDZBQOSA-N 2 2 300.490 4.209 20 0 DIADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001205932013 1049606783 /nfs/dbraw/zinc/60/67/83/1049606783.db2.gz NFPFTPWDQNJNDF-INIZCTEOSA-N 2 2 314.860 4.320 20 0 DIADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001205932013 1049606787 /nfs/dbraw/zinc/60/67/87/1049606787.db2.gz NFPFTPWDQNJNDF-INIZCTEOSA-N 2 2 314.860 4.320 20 0 DIADLP Clc1ccc(Cl)c(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000488245966 1049621573 /nfs/dbraw/zinc/62/15/73/1049621573.db2.gz CQZRZOXKZMOWEL-CYBMUJFWSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1ccc(Cl)c(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000488245966 1049621589 /nfs/dbraw/zinc/62/15/89/1049621589.db2.gz CQZRZOXKZMOWEL-CYBMUJFWSA-N 2 2 324.255 4.139 20 0 DIADLP CC[N@H+](C)c1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001203844482 1049664570 /nfs/dbraw/zinc/66/45/70/1049664570.db2.gz XWQDMKUXNWMFKI-UHFFFAOYSA-N 2 2 309.457 4.482 20 0 DIADLP CC[N@@H+](C)c1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001203844482 1049664576 /nfs/dbraw/zinc/66/45/76/1049664576.db2.gz XWQDMKUXNWMFKI-UHFFFAOYSA-N 2 2 309.457 4.482 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182634902 1049691727 /nfs/dbraw/zinc/69/17/27/1049691727.db2.gz SPGSAIAEXAUNJW-HKBOAZHASA-N 2 2 314.517 4.394 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182634902 1049691730 /nfs/dbraw/zinc/69/17/30/1049691730.db2.gz SPGSAIAEXAUNJW-HKBOAZHASA-N 2 2 314.517 4.394 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001182634893 1049692346 /nfs/dbraw/zinc/69/23/46/1049692346.db2.gz SLURWXQDAJSUQF-BQJUDKOJSA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001182634893 1049692354 /nfs/dbraw/zinc/69/23/54/1049692354.db2.gz SLURWXQDAJSUQF-BQJUDKOJSA-N 2 2 312.501 4.103 20 0 DIADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001206352641 1049719688 /nfs/dbraw/zinc/71/96/88/1049719688.db2.gz ZMSFYAPWBDYNQJ-MRXNPFEDSA-N 2 2 324.490 4.130 20 0 DIADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001206352641 1049719695 /nfs/dbraw/zinc/71/96/95/1049719695.db2.gz ZMSFYAPWBDYNQJ-MRXNPFEDSA-N 2 2 324.490 4.130 20 0 DIADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001206371261 1049722414 /nfs/dbraw/zinc/72/24/14/1049722414.db2.gz RNBOZTIIYQCUOL-MRXNPFEDSA-N 2 2 324.490 4.130 20 0 DIADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001206371261 1049722433 /nfs/dbraw/zinc/72/24/33/1049722433.db2.gz RNBOZTIIYQCUOL-MRXNPFEDSA-N 2 2 324.490 4.130 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206573165 1049759178 /nfs/dbraw/zinc/75/91/78/1049759178.db2.gz JADFBXCLBNOYSG-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206573165 1049759181 /nfs/dbraw/zinc/75/91/81/1049759181.db2.gz JADFBXCLBNOYSG-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001206989551 1049816221 /nfs/dbraw/zinc/81/62/21/1049816221.db2.gz CNWNDXGATVTAKI-NXHRZFHOSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001206989551 1049816233 /nfs/dbraw/zinc/81/62/33/1049816233.db2.gz CNWNDXGATVTAKI-NXHRZFHOSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490324259 1049822711 /nfs/dbraw/zinc/82/27/11/1049822711.db2.gz VJXUZEGLIZKAQF-TZMCWYRMSA-N 2 2 323.362 4.369 20 0 DIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490324259 1049822718 /nfs/dbraw/zinc/82/27/18/1049822718.db2.gz VJXUZEGLIZKAQF-TZMCWYRMSA-N 2 2 323.362 4.369 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001207057448 1049826440 /nfs/dbraw/zinc/82/64/40/1049826440.db2.gz GNWZIYQNSQKTDI-TYPHKJRUSA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001207057448 1049826446 /nfs/dbraw/zinc/82/64/46/1049826446.db2.gz GNWZIYQNSQKTDI-TYPHKJRUSA-N 2 2 312.501 4.103 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001207059007 1049826639 /nfs/dbraw/zinc/82/66/39/1049826639.db2.gz SCCSJMZHILYVPF-GUYCJALGSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001207059007 1049826649 /nfs/dbraw/zinc/82/66/49/1049826649.db2.gz SCCSJMZHILYVPF-GUYCJALGSA-N 2 2 324.871 4.017 20 0 DIADLP C[NH+]1CCC([N@H+](CCc2cccc(Cl)c2)C2CCCC2)CC1 ZINC001207424997 1049892250 /nfs/dbraw/zinc/89/22/50/1049892250.db2.gz DDTGTXAVAOSFQA-UHFFFAOYSA-N 2 2 320.908 4.221 20 0 DIADLP C[NH+]1CCC([N@@H+](CCc2cccc(Cl)c2)C2CCCC2)CC1 ZINC001207424997 1049892255 /nfs/dbraw/zinc/89/22/55/1049892255.db2.gz DDTGTXAVAOSFQA-UHFFFAOYSA-N 2 2 320.908 4.221 20 0 DIADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001207741264 1049933127 /nfs/dbraw/zinc/93/31/27/1049933127.db2.gz FGDWODDNPYNGQV-WMZOPIPTSA-N 2 2 322.562 4.296 20 0 DIADLP CC/C=C\CCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208140325 1049978198 /nfs/dbraw/zinc/97/81/98/1049978198.db2.gz QEPMVDWIGFGGAF-PLNGDYQASA-N 2 2 318.480 4.468 20 0 DIADLP CC/C=C\CCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208140325 1049978199 /nfs/dbraw/zinc/97/81/99/1049978199.db2.gz QEPMVDWIGFGGAF-PLNGDYQASA-N 2 2 318.480 4.468 20 0 DIADLP COC(C)(C)CCC[C@H](C)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001208219451 1049987203 /nfs/dbraw/zinc/98/72/03/1049987203.db2.gz PKPGDDZAUBDXKN-KRWDZBQOSA-N 2 2 321.509 4.142 20 0 DIADLP C[N@H+](CCCc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208775716 1050009632 /nfs/dbraw/zinc/00/96/32/1050009632.db2.gz UUIJEELTRGJSCS-UHFFFAOYSA-N 2 2 323.415 4.076 20 0 DIADLP C[N@@H+](CCCc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208775716 1050009639 /nfs/dbraw/zinc/00/96/39/1050009639.db2.gz UUIJEELTRGJSCS-UHFFFAOYSA-N 2 2 323.415 4.076 20 0 DIADLP c1cn(C2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)c[nH+]1 ZINC001208776574 1050010040 /nfs/dbraw/zinc/01/00/40/1050010040.db2.gz BLJUWXWOIIDPNH-UHFFFAOYSA-N 2 2 309.457 4.032 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209728008 1050079247 /nfs/dbraw/zinc/07/92/47/1050079247.db2.gz BQFXIVCNRHIMHY-KRWDZBQOSA-N 2 2 317.436 4.258 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001209821577 1050089187 /nfs/dbraw/zinc/08/91/87/1050089187.db2.gz JDCGSUDAQKYJCC-UHFFFAOYSA-N 2 2 320.440 4.458 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000573167566 1050140165 /nfs/dbraw/zinc/14/01/65/1050140165.db2.gz MZTSXGDBDSBGJS-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000770739422 1050190277 /nfs/dbraw/zinc/19/02/77/1050190277.db2.gz ATUIAIXQCBZPBI-PMACEKPBSA-N 2 2 317.436 4.298 20 0 DIADLP CC(C)(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000573647310 1050233161 /nfs/dbraw/zinc/23/31/61/1050233161.db2.gz KCUYJPYMADNFNJ-AUUYWEPGSA-N 2 2 323.440 4.390 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000573693803 1050250384 /nfs/dbraw/zinc/25/03/84/1050250384.db2.gz CXOGALUMVQBBEA-FQEVSTJZSA-N 2 2 319.452 4.148 20 0 DIADLP c1cc([NH+]2CCCC2)ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210708315 1050342130 /nfs/dbraw/zinc/34/21/30/1050342130.db2.gz LEPDPEQUCQPILO-HXUWFJFHSA-N 2 2 311.473 4.231 20 0 DIADLP Cc1cc[nH+]c2cc(NC3=CC[C@H]([NH+]4CCCC4)CC3)ccc12 ZINC001210713413 1050345098 /nfs/dbraw/zinc/34/50/98/1050345098.db2.gz YFXNPUZULMZLBR-SFHVURJKSA-N 2 2 307.441 4.487 20 0 DIADLP Cc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001143763752 1050350447 /nfs/dbraw/zinc/35/04/47/1050350447.db2.gz BNPUEIZHSUSFSB-GOSISDBHSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001143763752 1050350463 /nfs/dbraw/zinc/35/04/63/1050350463.db2.gz BNPUEIZHSUSFSB-GOSISDBHSA-N 2 2 322.443 4.114 20 0 DIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059866 1050424264 /nfs/dbraw/zinc/42/42/64/1050424264.db2.gz YPNHHPFHXPCSCW-QWRGUYRKSA-N 2 2 321.317 4.437 20 0 DIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059866 1050424274 /nfs/dbraw/zinc/42/42/74/1050424274.db2.gz YPNHHPFHXPCSCW-QWRGUYRKSA-N 2 2 321.317 4.437 20 0 DIADLP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001170071695 1050582414 /nfs/dbraw/zinc/58/24/14/1050582414.db2.gz SHLJQTKYVDRHEA-KRWDZBQOSA-N 2 2 318.505 4.161 20 0 DIADLP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001170071696 1050583948 /nfs/dbraw/zinc/58/39/48/1050583948.db2.gz SHLJQTKYVDRHEA-QGZVFWFLSA-N 2 2 318.505 4.161 20 0 DIADLP CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787290483 1050584301 /nfs/dbraw/zinc/58/43/01/1050584301.db2.gz DVVFJIRLEPGYDT-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)C2 ZINC000575222001 1050649975 /nfs/dbraw/zinc/64/99/75/1050649975.db2.gz LHEWXXOXKUYICB-FXAWDEMLSA-N 2 2 309.457 4.178 20 0 DIADLP Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1F ZINC000742391861 1050830268 /nfs/dbraw/zinc/83/02/68/1050830268.db2.gz MUHKIVOIPMSVBG-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000348132639 1050991150 /nfs/dbraw/zinc/99/11/50/1050991150.db2.gz YKWDIPGHEJZERJ-CYBMUJFWSA-N 2 2 319.449 4.095 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000743479381 1051032657 /nfs/dbraw/zinc/03/26/57/1051032657.db2.gz CYLGDWWUNHDXQT-KRWDZBQOSA-N 2 2 323.484 4.072 20 0 DIADLP C[C@H]1CC[C@@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151338 1051038853 /nfs/dbraw/zinc/03/88/53/1051038853.db2.gz QSNYXMYPZQHOTE-JSNNEVCYSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H]1CC[C@@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151338 1051038862 /nfs/dbraw/zinc/03/88/62/1051038862.db2.gz QSNYXMYPZQHOTE-JSNNEVCYSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H]1CC[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151338 1051038870 /nfs/dbraw/zinc/03/88/70/1051038870.db2.gz QSNYXMYPZQHOTE-JSNNEVCYSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@H]1CC[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151338 1051038877 /nfs/dbraw/zinc/03/88/77/1051038877.db2.gz QSNYXMYPZQHOTE-JSNNEVCYSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)s1 ZINC000037156425 1051113281 /nfs/dbraw/zinc/11/32/81/1051113281.db2.gz XYDFHFAKFAOWNR-YPMHNXCESA-N 2 2 311.882 4.364 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1Cl ZINC000037156397 1051113541 /nfs/dbraw/zinc/11/35/41/1051113541.db2.gz FYKANVGNVYESPL-CZUORRHYSA-N 2 2 305.853 4.302 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(F)cc2Cl)CC1(C)C ZINC001171619318 1051177280 /nfs/dbraw/zinc/17/72/80/1051177280.db2.gz JVYYEJYZERLZNX-UHFFFAOYSA-N 2 2 312.860 4.220 20 0 DIADLP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(F)c1F ZINC001171626891 1051181800 /nfs/dbraw/zinc/18/18/00/1051181800.db2.gz GDPIFTVEQOBMMN-GFCCVEGCSA-N 2 2 310.432 4.267 20 0 DIADLP CCc1ccc[nH+]c1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330731 1051185419 /nfs/dbraw/zinc/18/54/19/1051185419.db2.gz SRLGPZFAIXFJFQ-OWZKRDHZSA-N 2 2 321.468 4.252 20 0 DIADLP CCc1ccc[nH+]c1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170330731 1051185425 /nfs/dbraw/zinc/18/54/25/1051185425.db2.gz SRLGPZFAIXFJFQ-OWZKRDHZSA-N 2 2 321.468 4.252 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170333285 1051186100 /nfs/dbraw/zinc/18/61/00/1051186100.db2.gz NAAQMYIGNRNKNO-OWZKRDHZSA-N 2 2 321.468 4.306 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170333285 1051186109 /nfs/dbraw/zinc/18/61/09/1051186109.db2.gz NAAQMYIGNRNKNO-OWZKRDHZSA-N 2 2 321.468 4.306 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C ZINC001170332229 1051186430 /nfs/dbraw/zinc/18/64/30/1051186430.db2.gz BFHBRQMRFMEFOQ-OWZKRDHZSA-N 2 2 321.468 4.306 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C ZINC001170332229 1051186436 /nfs/dbraw/zinc/18/64/36/1051186436.db2.gz BFHBRQMRFMEFOQ-OWZKRDHZSA-N 2 2 321.468 4.306 20 0 DIADLP CC1(C)C[C@H]([NH+]2CCCCC23CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171988780 1051255674 /nfs/dbraw/zinc/25/56/74/1051255674.db2.gz UZEIBEKBZNDYRT-LJQANCHMSA-N 2 2 312.501 4.448 20 0 DIADLP CC1(C)C[C@H]([NH+]2CCCCC23CC3)CC[N@H+]1Cc1ccccc1 ZINC001171988780 1051255683 /nfs/dbraw/zinc/25/56/83/1051255683.db2.gz UZEIBEKBZNDYRT-LJQANCHMSA-N 2 2 312.501 4.448 20 0 DIADLP CC1(C)C[C@H]([N@@H+]2CCCCC23CC3)CC[NH+]1Cc1ccccc1 ZINC001171988780 1051255696 /nfs/dbraw/zinc/25/56/96/1051255696.db2.gz UZEIBEKBZNDYRT-LJQANCHMSA-N 2 2 312.501 4.448 20 0 DIADLP CC1(C)C[C@H]([N@H+]2CCCCC23CC3)CC[NH+]1Cc1ccccc1 ZINC001171988780 1051255711 /nfs/dbraw/zinc/25/57/11/1051255711.db2.gz UZEIBEKBZNDYRT-LJQANCHMSA-N 2 2 312.501 4.448 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969190 1051258739 /nfs/dbraw/zinc/25/87/39/1051258739.db2.gz UIIOALPZTOHBLB-IEBWSBKVSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969190 1051258752 /nfs/dbraw/zinc/25/87/52/1051258752.db2.gz UIIOALPZTOHBLB-IEBWSBKVSA-N 2 2 323.484 4.175 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(Nc2cccn3cc[nH+]c23)c1 ZINC001215724852 1051324948 /nfs/dbraw/zinc/32/49/48/1051324948.db2.gz UJLPZWVVJSVVOT-UHFFFAOYSA-N 2 2 312.392 4.059 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001215744671 1051338937 /nfs/dbraw/zinc/33/89/37/1051338937.db2.gz FZUMXCMERUTQDF-UHFFFAOYSA-N 2 2 320.440 4.362 20 0 DIADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172319030 1051340249 /nfs/dbraw/zinc/34/02/49/1051340249.db2.gz OKPYWILOKSLGAV-CMKODMSKSA-N 2 2 318.505 4.007 20 0 DIADLP CC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001172386034 1051390563 /nfs/dbraw/zinc/39/05/63/1051390563.db2.gz NSRZGAFERSHYQG-SFHVURJKSA-N 2 2 318.505 4.074 20 0 DIADLP CC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001172386031 1051390668 /nfs/dbraw/zinc/39/06/68/1051390668.db2.gz NSRZGAFERSHYQG-GOSISDBHSA-N 2 2 318.505 4.074 20 0 DIADLP c1cn([C@H]2CCC[C@@H](c3ccccc3)C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001172550757 1051431971 /nfs/dbraw/zinc/43/19/71/1051431971.db2.gz AQJSAHMAOOHCSA-QYZOEREBSA-N 2 2 309.457 4.249 20 0 DIADLP c1cn([C@@H]2CCC[C@@H](c3ccccc3)C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001172550754 1051433494 /nfs/dbraw/zinc/43/34/94/1051433494.db2.gz AQJSAHMAOOHCSA-CEXWTWQISA-N 2 2 309.457 4.249 20 0 DIADLP CC(C)[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172564162 1051442966 /nfs/dbraw/zinc/44/29/66/1051442966.db2.gz BYJWIRZEOYMLSG-UYAOXDASSA-N 2 2 300.490 4.127 20 0 DIADLP CC(C)[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172564162 1051442973 /nfs/dbraw/zinc/44/29/73/1051442973.db2.gz BYJWIRZEOYMLSG-UYAOXDASSA-N 2 2 300.490 4.127 20 0 DIADLP c1ccc(N(C2CC[NH2+]CC2)C2CCC3(CCCC3)CC2)[nH+]c1 ZINC001172730606 1051489896 /nfs/dbraw/zinc/48/98/96/1051489896.db2.gz LBDHQNVMSBDFOG-UHFFFAOYSA-N 2 2 313.489 4.143 20 0 DIADLP CC(C)C[C@H](Cc1ccccc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001169083811 1051514199 /nfs/dbraw/zinc/51/41/99/1051514199.db2.gz GRWSMCMVIYCVKI-RBUKOAKNSA-N 2 2 311.473 4.180 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082330 1051514320 /nfs/dbraw/zinc/51/43/20/1051514320.db2.gz YPCWHCBCOFXWAV-ZRJCITRHSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082330 1051514325 /nfs/dbraw/zinc/51/43/25/1051514325.db2.gz YPCWHCBCOFXWAV-ZRJCITRHSA-N 2 2 313.272 4.269 20 0 DIADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001169085921 1051517077 /nfs/dbraw/zinc/51/70/77/1051517077.db2.gz PWIHWYHQNDWFFB-HXUWFJFHSA-N 2 2 311.473 4.177 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090702 1051519155 /nfs/dbraw/zinc/51/91/55/1051519155.db2.gz LLQIBZCQMQUABC-BTTYYORXSA-N 2 2 313.272 4.017 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090702 1051519164 /nfs/dbraw/zinc/51/91/64/1051519164.db2.gz LLQIBZCQMQUABC-BTTYYORXSA-N 2 2 313.272 4.017 20 0 DIADLP CC1(C)C[C@H](Nc2cc(-c3ccncc3)cc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169138281 1051529068 /nfs/dbraw/zinc/52/90/68/1051529068.db2.gz PJNZBPOSZFWDIG-FXAWDEMLSA-N 2 2 324.472 4.099 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000178257634 1051566048 /nfs/dbraw/zinc/56/60/48/1051566048.db2.gz PULVBOBYTXHJCQ-MRXNPFEDSA-N 2 2 324.468 4.472 20 0 DIADLP c1cn(C2CCC3(CCCCC3)CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001173121362 1051615727 /nfs/dbraw/zinc/61/57/27/1051615727.db2.gz QBIPJJYQFRROGM-MRXNPFEDSA-N 2 2 301.478 4.416 20 0 DIADLP Cc1cc[nH+]c(C(C)C)c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212713046 1051627678 /nfs/dbraw/zinc/62/76/78/1051627678.db2.gz RQTCISMXRSEHNX-UHFFFAOYSA-N 2 2 324.472 4.009 20 0 DIADLP CCCC[C@H](CC(C)C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001173253555 1051655254 /nfs/dbraw/zinc/65/52/54/1051655254.db2.gz QMZBSZVOXCSVRT-LJQANCHMSA-N 2 2 317.521 4.493 20 0 DIADLP CCc1ccc(C[C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001173238912 1051672665 /nfs/dbraw/zinc/67/26/65/1051672665.db2.gz DNGUDNVZJRADSE-QGZVFWFLSA-N 2 2 324.468 4.118 20 0 DIADLP CCc1ccc(C[C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001173238911 1051672795 /nfs/dbraw/zinc/67/27/95/1051672795.db2.gz DNGUDNVZJRADSE-KRWDZBQOSA-N 2 2 324.468 4.118 20 0 DIADLP c1cn([C@@H]2CCCC3(CCCCC3)C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001173342851 1051700401 /nfs/dbraw/zinc/70/04/01/1051700401.db2.gz BVQXDWFTFKIAAK-DLBZAZTESA-N 2 2 301.478 4.416 20 0 DIADLP Cc1[nH+]cn([C@H]2CCCC3(CCCCC3)C2)c1CSCC[NH3+] ZINC001173348401 1051707322 /nfs/dbraw/zinc/70/73/22/1051707322.db2.gz KCKXIAUXTOZRHB-INIZCTEOSA-N 2 2 321.534 4.449 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494410912 1051889580 /nfs/dbraw/zinc/88/95/80/1051889580.db2.gz LYXCWJBAKZBNBT-OAHLLOKOSA-N 2 2 323.440 4.077 20 0 DIADLP C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768264045 1051913225 /nfs/dbraw/zinc/91/32/25/1051913225.db2.gz ZHMBTBWTTIBWLZ-AWEZNQCLSA-N 2 2 318.411 4.219 20 0 DIADLP C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768264045 1051913233 /nfs/dbraw/zinc/91/32/33/1051913233.db2.gz ZHMBTBWTTIBWLZ-AWEZNQCLSA-N 2 2 318.411 4.219 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890020 1051930893 /nfs/dbraw/zinc/93/08/93/1051930893.db2.gz FJAKSHWYKTYQMU-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1csc(Cl)c1 ZINC000191259022 1051969070 /nfs/dbraw/zinc/96/90/70/1051969070.db2.gz GETBKYXDBYYOOL-GFCCVEGCSA-N 2 2 309.866 4.339 20 0 DIADLP CCSc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000769910236 1052120489 /nfs/dbraw/zinc/12/04/89/1052120489.db2.gz SOELYTNHJZWKQY-QGZVFWFLSA-N 2 2 317.502 4.200 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2OCC)CC1 ZINC000495153681 1052237909 /nfs/dbraw/zinc/23/79/09/1052237909.db2.gz FLNMOWMYSFKQEW-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2OCC)CC1 ZINC000495153681 1052237917 /nfs/dbraw/zinc/23/79/17/1052237917.db2.gz FLNMOWMYSFKQEW-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP C[C@@H]([NH2+]Cc1ccsc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312761911 1052292960 /nfs/dbraw/zinc/29/29/60/1052292960.db2.gz NVIJMRSNWBUEIV-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP COc1c(C)c[nH+]c(CSCC[NH+](C(C)C)C(C)C)c1C ZINC000762198229 1052335516 /nfs/dbraw/zinc/33/55/16/1052335516.db2.gz CKOFWASBEVMWKO-UHFFFAOYSA-N 2 2 310.507 4.059 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000315427977 1052337978 /nfs/dbraw/zinc/33/79/78/1052337978.db2.gz KGRCEODLJSZZIG-MJGOQNOKSA-N 2 2 304.522 4.309 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)c[nH+]1 ZINC000236589258 1052426868 /nfs/dbraw/zinc/42/68/68/1052426868.db2.gz ULZOVAOQFHMKEQ-QGZVFWFLSA-N 2 2 309.438 4.101 20 0 DIADLP c1cc2cccc(C[NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)c2[nH]1 ZINC000236666294 1052428389 /nfs/dbraw/zinc/42/83/89/1052428389.db2.gz GTHXBUCMJVBWHR-HXUWFJFHSA-N 2 2 319.452 4.095 20 0 DIADLP C[C@H]([NH2+]C/C=C/c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000237515485 1052441459 /nfs/dbraw/zinc/44/14/59/1052441459.db2.gz BHWSGZCXQRAVQV-NADMHLTPSA-N 2 2 303.409 4.236 20 0 DIADLP Clc1sccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166835 1052455413 /nfs/dbraw/zinc/45/54/13/1052455413.db2.gz CVFFPJQQCMZVNN-MRXNPFEDSA-N 2 2 312.910 4.147 20 0 DIADLP Clc1sccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166835 1052455418 /nfs/dbraw/zinc/45/54/18/1052455418.db2.gz CVFFPJQQCMZVNN-MRXNPFEDSA-N 2 2 312.910 4.147 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000393391072 1052481612 /nfs/dbraw/zinc/48/16/12/1052481612.db2.gz CFAVITVRYUMNNI-QHAWAJNXSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000393391072 1052481615 /nfs/dbraw/zinc/48/16/15/1052481615.db2.gz CFAVITVRYUMNNI-QHAWAJNXSA-N 2 2 324.443 4.132 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[NH+]2CC3(C2)CCC[NH2+]C3)c1 ZINC001222340250 1052486816 /nfs/dbraw/zinc/48/68/16/1052486816.db2.gz KQWOSZBPVONURF-UHFFFAOYSA-N 2 2 320.480 4.156 20 0 DIADLP Fc1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2ccccc12 ZINC001222390027 1052494779 /nfs/dbraw/zinc/49/47/79/1052494779.db2.gz KJYXHYJTYIZEID-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2ccccc12 ZINC001222390027 1052494784 /nfs/dbraw/zinc/49/47/84/1052494784.db2.gz KJYXHYJTYIZEID-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP c1cc2c(cccc2C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)s1 ZINC001222396808 1052496438 /nfs/dbraw/zinc/49/64/38/1052496438.db2.gz VXZYZCXHGZYGHN-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)s1 ZINC001222396808 1052496440 /nfs/dbraw/zinc/49/64/40/1052496440.db2.gz VXZYZCXHGZYGHN-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222422648 1052498424 /nfs/dbraw/zinc/49/84/24/1052498424.db2.gz WKZCPQLBMAAXNO-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222422648 1052498428 /nfs/dbraw/zinc/49/84/28/1052498428.db2.gz WKZCPQLBMAAXNO-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222434092 1052499670 /nfs/dbraw/zinc/49/96/70/1052499670.db2.gz BTUAUQKXPNJDOT-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222434092 1052499677 /nfs/dbraw/zinc/49/96/77/1052499677.db2.gz BTUAUQKXPNJDOT-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cc(Cl)cc(Cl)c2)C1 ZINC001222597474 1052514889 /nfs/dbraw/zinc/51/48/89/1052514889.db2.gz NOTRKBTVYXOBMT-INIZCTEOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cc(Cl)cc(Cl)c2)C1 ZINC001222597474 1052514898 /nfs/dbraw/zinc/51/48/98/1052514898.db2.gz NOTRKBTVYXOBMT-INIZCTEOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2)C1 ZINC001222597522 1052515390 /nfs/dbraw/zinc/51/53/90/1052515390.db2.gz OSCZLGLUUUTRSU-KRWDZBQOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2)C1 ZINC001222597522 1052515396 /nfs/dbraw/zinc/51/53/96/1052515396.db2.gz OSCZLGLUUUTRSU-KRWDZBQOSA-N 2 2 321.251 4.193 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000347458218 1052529029 /nfs/dbraw/zinc/52/90/29/1052529029.db2.gz FJHWUOHATUNKNA-INIZCTEOSA-N 2 2 305.372 4.019 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1 ZINC000036996708 1052585001 /nfs/dbraw/zinc/58/50/01/1052585001.db2.gz VOXAZYJNPCOPOC-IUIKQTSFSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1 ZINC000036996708 1052585004 /nfs/dbraw/zinc/58/50/04/1052585004.db2.gz VOXAZYJNPCOPOC-IUIKQTSFSA-N 2 2 313.272 4.271 20 0 DIADLP Cc1cc(CO[C@H](c2ccccc2)[C@H](C)[NH+]2CCCC2)cc(C)[nH+]1 ZINC001223421159 1052598734 /nfs/dbraw/zinc/59/87/34/1052598734.db2.gz NUEFXPHHGDYXPN-RXVVDRJESA-N 2 2 324.468 4.441 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000037786387 1052629198 /nfs/dbraw/zinc/62/91/98/1052629198.db2.gz SAXCXECBFXBHMT-UHFFFAOYSA-N 2 2 315.288 4.346 20 0 DIADLP C[C@@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000062254649 1052631893 /nfs/dbraw/zinc/63/18/93/1052631893.db2.gz GXEITXHOUVUUEF-KRWDZBQOSA-N 2 2 321.424 4.101 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000126897310 1052685055 /nfs/dbraw/zinc/68/50/55/1052685055.db2.gz NELVMYJBOVOOGL-JKSUJKDBSA-N 2 2 318.486 4.212 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000126897310 1052685059 /nfs/dbraw/zinc/68/50/59/1052685059.db2.gz NELVMYJBOVOOGL-JKSUJKDBSA-N 2 2 318.486 4.212 20 0 DIADLP C[C@H](C[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1)Cn1cc[nH+]c1 ZINC000498352712 1052820408 /nfs/dbraw/zinc/82/04/08/1052820408.db2.gz ITVJYWYPHHRYNK-HOJAQTOUSA-N 2 2 311.473 4.225 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956745 1053196718 /nfs/dbraw/zinc/19/67/18/1053196718.db2.gz JHIQKOJAHVNKSM-XBFCOCLRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956745 1053196723 /nfs/dbraw/zinc/19/67/23/1053196723.db2.gz JHIQKOJAHVNKSM-XBFCOCLRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251228721 1053227823 /nfs/dbraw/zinc/22/78/23/1053227823.db2.gz AQFILDQCGIJPIR-LOWVWBTDSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251228721 1053227827 /nfs/dbraw/zinc/22/78/27/1053227827.db2.gz AQFILDQCGIJPIR-LOWVWBTDSA-N 2 2 301.261 4.114 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC001319688038 1053263799 /nfs/dbraw/zinc/26/37/99/1053263799.db2.gz BSGGPAHWAQHCDZ-UHFFFAOYSA-N 2 2 314.473 4.356 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC001474744506 1053296765 /nfs/dbraw/zinc/29/67/65/1053296765.db2.gz IOZYHJRHBRXLRJ-LJQANCHMSA-N 2 2 316.464 4.083 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC001474744506 1053296779 /nfs/dbraw/zinc/29/67/79/1053296779.db2.gz IOZYHJRHBRXLRJ-LJQANCHMSA-N 2 2 316.464 4.083 20 0 DIADLP CC[NH+](CC)C1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC001320877665 1053371742 /nfs/dbraw/zinc/37/17/42/1053371742.db2.gz OMFVWJVJIOGLRS-OAHLLOKOSA-N 2 2 308.897 4.250 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318402 1053384147 /nfs/dbraw/zinc/38/41/47/1053384147.db2.gz YOPFGIXJCQNNOS-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318402 1053384161 /nfs/dbraw/zinc/38/41/61/1053384161.db2.gz YOPFGIXJCQNNOS-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318402 1053384172 /nfs/dbraw/zinc/38/41/72/1053384172.db2.gz YOPFGIXJCQNNOS-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccoc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318402 1053384184 /nfs/dbraw/zinc/38/41/84/1053384184.db2.gz YOPFGIXJCQNNOS-MJGOQNOKSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCCCC(C)C ZINC001323496761 1053584830 /nfs/dbraw/zinc/58/48/30/1053584830.db2.gz JYULOFDSRJMTPR-UHFFFAOYSA-N 2 2 314.433 4.121 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001200389475 1053619923 /nfs/dbraw/zinc/61/99/23/1053619923.db2.gz CGCWBSPTAZRCIN-BMFAXAFESA-N 2 2 300.490 4.284 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001200389478 1053621106 /nfs/dbraw/zinc/62/11/06/1053621106.db2.gz CGCWBSPTAZRCIN-VXNCWWDNSA-N 2 2 300.490 4.284 20 0 DIADLP CC(C)c1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000620437411 1053663846 /nfs/dbraw/zinc/66/38/46/1053663846.db2.gz YDAHIIJHHCCEEM-UHFFFAOYSA-N 2 2 319.452 4.328 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(/C=C/c3ccccc3)cc2)CC1 ZINC001231486650 1053765833 /nfs/dbraw/zinc/76/58/33/1053765833.db2.gz LXKMEQMSZNCJOC-CMDGGOBGSA-N 2 2 320.480 4.383 20 0 DIADLP CC[N@H+](Cc1c(C)sc2ccccc21)C1CC[NH+](C)CC1 ZINC001231644447 1053812672 /nfs/dbraw/zinc/81/26/72/1053812672.db2.gz VPIWGFSDBPFUAC-UHFFFAOYSA-N 2 2 302.487 4.126 20 0 DIADLP CC[N@@H+](Cc1c(C)sc2ccccc21)C1CC[NH+](C)CC1 ZINC001231644447 1053812689 /nfs/dbraw/zinc/81/26/89/1053812689.db2.gz VPIWGFSDBPFUAC-UHFFFAOYSA-N 2 2 302.487 4.126 20 0 DIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccncc1 ZINC000156683317 1053823389 /nfs/dbraw/zinc/82/33/89/1053823389.db2.gz YPCQQEOUCFTUKP-ROUUACIJSA-N 2 2 323.484 4.396 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC001231787471 1053858231 /nfs/dbraw/zinc/85/82/31/1053858231.db2.gz BKTVLQNQRNJAII-UHFFFAOYSA-N 2 2 302.506 4.191 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001231804921 1053865779 /nfs/dbraw/zinc/86/57/79/1053865779.db2.gz GPSXBOIGENLMSQ-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC001231813409 1053872368 /nfs/dbraw/zinc/87/23/68/1053872368.db2.gz DTBHOCLOOJZFPU-UHFFFAOYSA-N 2 2 312.457 4.251 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC001231813409 1053872385 /nfs/dbraw/zinc/87/23/85/1053872385.db2.gz DTBHOCLOOJZFPU-UHFFFAOYSA-N 2 2 312.457 4.251 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccc(F)cc1 ZINC001231824629 1053879000 /nfs/dbraw/zinc/87/90/00/1053879000.db2.gz HPUUFWNOKZPJEZ-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccc(F)cc1 ZINC001231824629 1053879013 /nfs/dbraw/zinc/87/90/13/1053879013.db2.gz HPUUFWNOKZPJEZ-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP CC[N@H+](Cc1sc2scc(C)c2c1C)C1CC[NH+](C)CC1 ZINC001231834902 1053886940 /nfs/dbraw/zinc/88/69/40/1053886940.db2.gz VQNKGSJTEDKCRM-UHFFFAOYSA-N 2 2 322.543 4.496 20 0 DIADLP CC[N@@H+](Cc1sc2scc(C)c2c1C)C1CC[NH+](C)CC1 ZINC001231834902 1053886951 /nfs/dbraw/zinc/88/69/51/1053886951.db2.gz VQNKGSJTEDKCRM-UHFFFAOYSA-N 2 2 322.543 4.496 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763653372 1053946760 /nfs/dbraw/zinc/94/67/60/1053946760.db2.gz ZXFXUCUZGGWZBC-RGHBXIHOSA-N 2 2 319.320 4.282 20 0 DIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000763653372 1053946771 /nfs/dbraw/zinc/94/67/71/1053946771.db2.gz ZXFXUCUZGGWZBC-RGHBXIHOSA-N 2 2 319.320 4.282 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001232080491 1053956264 /nfs/dbraw/zinc/95/62/64/1053956264.db2.gz IGDNVKJCXWWGKK-UHFFFAOYSA-N 2 2 314.517 4.433 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001232080491 1053956277 /nfs/dbraw/zinc/95/62/77/1053956277.db2.gz IGDNVKJCXWWGKK-UHFFFAOYSA-N 2 2 314.517 4.433 20 0 DIADLP FC1(F)CCC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001330749615 1054050685 /nfs/dbraw/zinc/05/06/85/1054050685.db2.gz KXUWUFXWJNMXHI-QGZVFWFLSA-N 2 2 319.399 4.040 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccco1 ZINC000164991112 1054066651 /nfs/dbraw/zinc/06/66/51/1054066651.db2.gz MFQHDDWFCPFCJE-ZQIUZPCESA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccco1 ZINC000164991112 1054066664 /nfs/dbraw/zinc/06/66/64/1054066664.db2.gz MFQHDDWFCPFCJE-ZQIUZPCESA-N 2 2 304.459 4.075 20 0 DIADLP c1cn(Cc2cccc(-c3ccc(C4CC[NH2+]CC4)cc3)c2)c[nH+]1 ZINC001332508455 1054121434 /nfs/dbraw/zinc/12/14/34/1054121434.db2.gz YBMMBECQFMKWRW-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3[nH]c(C)[nH+]c3C)oc21 ZINC001332886136 1054131216 /nfs/dbraw/zinc/13/12/16/1054131216.db2.gz SCPGHTACNMDNTO-LBPRGKRZSA-N 2 2 313.401 4.022 20 0 DIADLP Cc1cnc([C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C2CC2)s1 ZINC001333655178 1054166265 /nfs/dbraw/zinc/16/62/65/1054166265.db2.gz RCKZVDYBYQLJGU-KRWDZBQOSA-N 2 2 321.534 4.003 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(C)o1 ZINC000336664871 1054437152 /nfs/dbraw/zinc/43/71/52/1054437152.db2.gz DKETWCCLMDXPKR-MRXNPFEDSA-N 2 2 300.446 4.069 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000336664871 1054437162 /nfs/dbraw/zinc/43/71/62/1054437162.db2.gz DKETWCCLMDXPKR-MRXNPFEDSA-N 2 2 300.446 4.069 20 0 DIADLP c1cc2ccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2s1 ZINC001235177265 1054675506 /nfs/dbraw/zinc/67/55/06/1054675506.db2.gz GSTTWSGKYRGKRL-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1cc2ccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2s1 ZINC001235177265 1054675512 /nfs/dbraw/zinc/67/55/12/1054675512.db2.gz GSTTWSGKYRGKRL-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP Fc1cccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)cccc12 ZINC001235177222 1054676522 /nfs/dbraw/zinc/67/65/22/1054676522.db2.gz OYEPTXGMWGSAKA-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1cccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cccc12 ZINC001235177222 1054676532 /nfs/dbraw/zinc/67/65/32/1054676532.db2.gz OYEPTXGMWGSAKA-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC001235346851 1054703649 /nfs/dbraw/zinc/70/36/49/1054703649.db2.gz KNPXRDDUWZOMIO-HXUWFJFHSA-N 2 2 308.469 4.154 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC001235346851 1054703671 /nfs/dbraw/zinc/70/36/71/1054703671.db2.gz KNPXRDDUWZOMIO-HXUWFJFHSA-N 2 2 308.469 4.154 20 0 DIADLP C[N@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001235593395 1054751586 /nfs/dbraw/zinc/75/15/86/1054751586.db2.gz TYGZDZDYSBPPHN-UHFFFAOYSA-N 2 2 321.679 4.173 20 0 DIADLP C[N@@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001235593395 1054751602 /nfs/dbraw/zinc/75/16/02/1054751602.db2.gz TYGZDZDYSBPPHN-UHFFFAOYSA-N 2 2 321.679 4.173 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(-c3cccs3)s2)CC1 ZINC001235725415 1054789671 /nfs/dbraw/zinc/78/96/71/1054789671.db2.gz GQXHWOCVIADZOK-UHFFFAOYSA-N 2 2 306.500 4.051 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235903730 1054839179 /nfs/dbraw/zinc/83/91/79/1054839179.db2.gz IYMXEJLXYIIRBO-XLIONFOSSA-N 2 2 308.469 4.282 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235903730 1054839186 /nfs/dbraw/zinc/83/91/86/1054839186.db2.gz IYMXEJLXYIIRBO-XLIONFOSSA-N 2 2 308.469 4.282 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccccc2-c2ccccc2Cl)CCC[NH2+]1 ZINC001236094853 1054939809 /nfs/dbraw/zinc/93/98/09/1054939809.db2.gz KODWKXYDEWJIDA-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2Cl)CCC[NH2+]1 ZINC001236094853 1054939816 /nfs/dbraw/zinc/93/98/16/1054939816.db2.gz KODWKXYDEWJIDA-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219611 1055008997 /nfs/dbraw/zinc/00/89/97/1055008997.db2.gz WWGWLUZMHLTJKK-LSDHHAIUSA-N 2 2 301.261 4.004 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219611 1055009013 /nfs/dbraw/zinc/00/90/13/1055009013.db2.gz WWGWLUZMHLTJKK-LSDHHAIUSA-N 2 2 301.261 4.004 20 0 DIADLP c1csc(-c2ccccc2C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236242445 1055026512 /nfs/dbraw/zinc/02/65/12/1055026512.db2.gz YCGMKZLIMCGMEW-QGZVFWFLSA-N 2 2 312.482 4.132 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236242445 1055026526 /nfs/dbraw/zinc/02/65/26/1055026526.db2.gz YCGMKZLIMCGMEW-QGZVFWFLSA-N 2 2 312.482 4.132 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1-c1ccccc1 ZINC000183170894 1055033078 /nfs/dbraw/zinc/03/30/78/1055033078.db2.gz JXODZTBXUCLLIL-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1-c1ccccc1 ZINC000183170894 1055033093 /nfs/dbraw/zinc/03/30/93/1055033093.db2.gz JXODZTBXUCLLIL-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2ccc3[nH+]c(C)cn3c2)c1 ZINC001236325768 1055058328 /nfs/dbraw/zinc/05/83/28/1055058328.db2.gz NDBVYUYTSRFQQF-UHFFFAOYSA-N 2 2 311.404 4.291 20 0 DIADLP Cc1ccccc1C([NH2+]CCCn1cc[nH+]c1)c1ccccc1C ZINC000183935317 1055062601 /nfs/dbraw/zinc/06/26/01/1055062601.db2.gz CQLBNKAOAQKBED-UHFFFAOYSA-N 2 2 319.452 4.269 20 0 DIADLP Cc1cc(F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236374218 1055078950 /nfs/dbraw/zinc/07/89/50/1055078950.db2.gz BOCBMIQJAILIBT-OAHLLOKOSA-N 2 2 322.443 4.017 20 0 DIADLP Cc1cc(F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236374218 1055078958 /nfs/dbraw/zinc/07/89/58/1055078958.db2.gz BOCBMIQJAILIBT-OAHLLOKOSA-N 2 2 322.443 4.017 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236417605 1055105743 /nfs/dbraw/zinc/10/57/43/1055105743.db2.gz BZFDBJQJSFHZIS-UTKZUKDTSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236417605 1055105749 /nfs/dbraw/zinc/10/57/49/1055105749.db2.gz BZFDBJQJSFHZIS-UTKZUKDTSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421288 1055106761 /nfs/dbraw/zinc/10/67/61/1055106761.db2.gz SZQWPTPIHNLKDP-GUYCJALGSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421288 1055106764 /nfs/dbraw/zinc/10/67/64/1055106764.db2.gz SZQWPTPIHNLKDP-GUYCJALGSA-N 2 2 310.466 4.366 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)ccc21 ZINC001236423100 1055107451 /nfs/dbraw/zinc/10/74/51/1055107451.db2.gz ZBGBBWQCPDSVPR-KXBFYZLASA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)ccc21 ZINC001236423100 1055107458 /nfs/dbraw/zinc/10/74/58/1055107458.db2.gz ZBGBBWQCPDSVPR-KXBFYZLASA-N 2 2 321.468 4.126 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001236421458 1055107594 /nfs/dbraw/zinc/10/75/94/1055107594.db2.gz GVCSAGXWAXZLAV-LJQANCHMSA-N 2 2 314.860 4.191 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001236421458 1055107596 /nfs/dbraw/zinc/10/75/96/1055107596.db2.gz GVCSAGXWAXZLAV-LJQANCHMSA-N 2 2 314.860 4.191 20 0 DIADLP CC(C)=CCC[C@@H](C)C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478421 1055137333 /nfs/dbraw/zinc/13/73/33/1055137333.db2.gz IGGCGSQVMJUQFM-QUCCMNQESA-N 2 2 315.505 4.018 20 0 DIADLP CC(C)=CCC[C@@H](C)C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478421 1055137335 /nfs/dbraw/zinc/13/73/35/1055137335.db2.gz IGGCGSQVMJUQFM-QUCCMNQESA-N 2 2 315.505 4.018 20 0 DIADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccccc1-c1cccs1 ZINC001236523539 1055159874 /nfs/dbraw/zinc/15/98/74/1055159874.db2.gz GOPIWTGTZLBZAE-UHFFFAOYSA-N 2 2 322.477 4.376 20 0 DIADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccccc1-c1cccs1 ZINC001236523539 1055159886 /nfs/dbraw/zinc/15/98/86/1055159886.db2.gz GOPIWTGTZLBZAE-UHFFFAOYSA-N 2 2 322.477 4.376 20 0 DIADLP Cc1csc2sc(C[N@@H+](C(C)C)[C@H]3CC[NH2+]C3)c(C)c12 ZINC001236530260 1055163171 /nfs/dbraw/zinc/16/31/71/1055163171.db2.gz SCDVSQZSVBBOQN-ZDUSSCGKSA-N 2 2 308.516 4.152 20 0 DIADLP Cc1csc2sc(C[N@H+](C(C)C)[C@H]3CC[NH2+]C3)c(C)c12 ZINC001236530260 1055163175 /nfs/dbraw/zinc/16/31/75/1055163175.db2.gz SCDVSQZSVBBOQN-ZDUSSCGKSA-N 2 2 308.516 4.152 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000764615809 1055224877 /nfs/dbraw/zinc/22/48/77/1055224877.db2.gz IPBNGKHEAJEWBI-MRXNPFEDSA-N 2 2 304.478 4.283 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000383482387 1055280613 /nfs/dbraw/zinc/28/06/13/1055280613.db2.gz SQYUZFGHPIYEQI-YVWKXTFCSA-N 2 2 324.468 4.015 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000383482387 1055280625 /nfs/dbraw/zinc/28/06/25/1055280625.db2.gz SQYUZFGHPIYEQI-YVWKXTFCSA-N 2 2 324.468 4.015 20 0 DIADLP C[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901867 1055308549 /nfs/dbraw/zinc/30/85/49/1055308549.db2.gz BKRGWYPEXGFGRI-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901867 1055308566 /nfs/dbraw/zinc/30/85/66/1055308566.db2.gz BKRGWYPEXGFGRI-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236913570 1055310119 /nfs/dbraw/zinc/31/01/19/1055310119.db2.gz IQXILUHQVNHAJB-KBPBESRZSA-N 2 2 303.837 4.004 20 0 DIADLP Clc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906740 1055312392 /nfs/dbraw/zinc/31/23/92/1055312392.db2.gz MNJOLOKDWMBBTD-HOTGVXAUSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906740 1055312412 /nfs/dbraw/zinc/31/24/12/1055312412.db2.gz MNJOLOKDWMBBTD-HOTGVXAUSA-N 2 2 315.848 4.148 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCCCC1 ZINC001236904821 1055313129 /nfs/dbraw/zinc/31/31/29/1055313129.db2.gz WLTCKKBTPJHKKI-UHFFFAOYSA-N 2 2 303.837 4.290 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCCCC1 ZINC001236904821 1055313147 /nfs/dbraw/zinc/31/31/47/1055313147.db2.gz WLTCKKBTPJHKKI-UHFFFAOYSA-N 2 2 303.837 4.290 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001236915060 1055317684 /nfs/dbraw/zinc/31/76/84/1055317684.db2.gz BDBKFMRCALFJSH-HUUCEWRRSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001236915060 1055317699 /nfs/dbraw/zinc/31/76/99/1055317699.db2.gz BDBKFMRCALFJSH-HUUCEWRRSA-N 2 2 315.848 4.148 20 0 DIADLP CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236916648 1055318496 /nfs/dbraw/zinc/31/84/96/1055318496.db2.gz NSQHPIABTPDVGF-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236916648 1055318512 /nfs/dbraw/zinc/31/85/12/1055318512.db2.gz NSQHPIABTPDVGF-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccc(Oc3ccccc3)cc2)CC1 ZINC001237014934 1055340284 /nfs/dbraw/zinc/34/02/84/1055340284.db2.gz HWKISVRTWUXOOW-INIZCTEOSA-N 2 2 310.441 4.006 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000765249391 1055344001 /nfs/dbraw/zinc/34/40/01/1055344001.db2.gz HYYVNRSPLRVPJS-RDJZCZTQSA-N 2 2 315.461 4.194 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001237110921 1055376175 /nfs/dbraw/zinc/37/61/75/1055376175.db2.gz NRSYNDLIJZKOEI-UHFFFAOYSA-N 2 2 300.490 4.260 20 0 DIADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000015185026 1055440875 /nfs/dbraw/zinc/44/08/75/1055440875.db2.gz LFWKZBXOCJTOOB-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1cc(F)cc(C)c1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237374322 1055442085 /nfs/dbraw/zinc/44/20/85/1055442085.db2.gz DRHBXXJEUHVJTN-UHFFFAOYSA-N 2 2 324.443 4.037 20 0 DIADLP CC(C)c1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001237457029 1055454180 /nfs/dbraw/zinc/45/41/80/1055454180.db2.gz PXZFXPKYNVCWDP-UHFFFAOYSA-N 2 2 310.441 4.248 20 0 DIADLP Cc1ccc2c(cc[nH+]c2N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168543828 1055460811 /nfs/dbraw/zinc/46/08/11/1055460811.db2.gz FPWUJJILPRHOIU-INIZCTEOSA-N 2 2 303.409 4.127 20 0 DIADLP CC(C)[N@H+](Cc1cccc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC001237554496 1055475759 /nfs/dbraw/zinc/47/57/59/1055475759.db2.gz NNRJNBQJZQPURI-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1cccc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC001237554496 1055475765 /nfs/dbraw/zinc/47/57/65/1055475765.db2.gz NNRJNBQJZQPURI-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000387201233 1055549678 /nfs/dbraw/zinc/54/96/78/1055549678.db2.gz DKMVNAZPLNTLCI-MJBXVCDLSA-N 2 2 317.399 4.009 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Cl)c(Cl)cc1C ZINC001238269195 1055633322 /nfs/dbraw/zinc/63/33/22/1055633322.db2.gz VBDMFRCNAXWYJF-UHFFFAOYSA-N 2 2 312.244 4.020 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Cl)c(Cl)cc1C ZINC001238269195 1055633329 /nfs/dbraw/zinc/63/33/29/1055633329.db2.gz VBDMFRCNAXWYJF-UHFFFAOYSA-N 2 2 312.244 4.020 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3csc4ccccc34)cc2)C1 ZINC001238893152 1055784096 /nfs/dbraw/zinc/78/40/96/1055784096.db2.gz LOHRDDGBHFJPTI-MRXNPFEDSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3csc4ccccc34)cc2)C1 ZINC001238893152 1055784108 /nfs/dbraw/zinc/78/41/08/1055784108.db2.gz LOHRDDGBHFJPTI-MRXNPFEDSA-N 2 2 308.450 4.101 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC001621121495 1055963492 /nfs/dbraw/zinc/96/34/92/1055963492.db2.gz HJQBOYOFQFXOTK-YOEHRIQHSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC001621121495 1055963495 /nfs/dbraw/zinc/96/34/95/1055963495.db2.gz HJQBOYOFQFXOTK-YOEHRIQHSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001621121495 1055963505 /nfs/dbraw/zinc/96/35/05/1055963505.db2.gz HJQBOYOFQFXOTK-YOEHRIQHSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001621121495 1055963510 /nfs/dbraw/zinc/96/35/10/1055963510.db2.gz HJQBOYOFQFXOTK-YOEHRIQHSA-N 2 2 324.896 4.043 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001621004073 1055971055 /nfs/dbraw/zinc/97/10/55/1055971055.db2.gz HQBXEELRLYVDHP-IBGZPJMESA-N 2 2 308.469 4.316 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001621004073 1055971065 /nfs/dbraw/zinc/97/10/65/1055971065.db2.gz HQBXEELRLYVDHP-IBGZPJMESA-N 2 2 308.469 4.316 20 0 DIADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000066236817 1055976062 /nfs/dbraw/zinc/97/60/62/1055976062.db2.gz POJODJYZBLTLPT-FQEVSTJZSA-N 2 2 323.415 4.498 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001621017675 1055982788 /nfs/dbraw/zinc/98/27/88/1055982788.db2.gz YYKUEVPHOKRQMW-AQNXPRMDSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001621017675 1055982798 /nfs/dbraw/zinc/98/27/98/1055982798.db2.gz YYKUEVPHOKRQMW-AQNXPRMDSA-N 2 2 300.490 4.177 20 0 DIADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474460878 1056313072 /nfs/dbraw/zinc/31/30/72/1056313072.db2.gz NPCDTSQZSIRDBY-FXQLRMTLSA-N 2 2 320.443 4.208 20 0 DIADLP Cc1ccc(-c2ccc3[nH+]ccn3c2)c(C[NH+]2CCCCC2)c1 ZINC001240222114 1056377544 /nfs/dbraw/zinc/37/75/44/1056377544.db2.gz YOJFAMXUPPIJOW-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP Cc1ccc(C[NH+]2CCCCC2)cc1-c1ccc2[nH+]ccn2c1 ZINC001240220821 1056378283 /nfs/dbraw/zinc/37/82/83/1056378283.db2.gz BRNVWCUHXKUDGP-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893942 1056594215 /nfs/dbraw/zinc/59/42/15/1056594215.db2.gz GONYULLWCAJUOF-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893942 1056594227 /nfs/dbraw/zinc/59/42/27/1056594227.db2.gz GONYULLWCAJUOF-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893942 1056594233 /nfs/dbraw/zinc/59/42/33/1056594233.db2.gz GONYULLWCAJUOF-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893942 1056594243 /nfs/dbraw/zinc/59/42/43/1056594243.db2.gz GONYULLWCAJUOF-MLGOLLRUSA-N 2 2 315.288 4.156 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc3ccccc3o2)[nH+]1 ZINC001616208992 1056620551 /nfs/dbraw/zinc/62/05/51/1056620551.db2.gz YEOHEHVRILDIDO-KRWDZBQOSA-N 2 2 321.424 4.213 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc3ccccc3o2)[nH+]1 ZINC001616208992 1056620557 /nfs/dbraw/zinc/62/05/57/1056620557.db2.gz YEOHEHVRILDIDO-KRWDZBQOSA-N 2 2 321.424 4.213 20 0 DIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC001616824848 1056724662 /nfs/dbraw/zinc/72/46/62/1056724662.db2.gz TVFHXBXTHCEWBF-UXHICEINSA-N 2 2 320.496 4.245 20 0 DIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC001616824848 1056724667 /nfs/dbraw/zinc/72/46/67/1056724667.db2.gz TVFHXBXTHCEWBF-UXHICEINSA-N 2 2 320.496 4.245 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c2ccccc12 ZINC001241006019 1056810052 /nfs/dbraw/zinc/81/00/52/1056810052.db2.gz BHNDYJVBTNBZLC-SFHVURJKSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c2ccccc12 ZINC001241006019 1056810056 /nfs/dbraw/zinc/81/00/56/1056810056.db2.gz BHNDYJVBTNBZLC-SFHVURJKSA-N 2 2 316.448 4.348 20 0 DIADLP CC[NH+](CC)Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1F ZINC001241252632 1056981663 /nfs/dbraw/zinc/98/16/63/1056981663.db2.gz VGPTYZDACSNIJY-UHFFFAOYSA-N 2 2 315.436 4.104 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359946316 1057017116 /nfs/dbraw/zinc/01/71/16/1057017116.db2.gz ZCNQQBXFKJBUNE-JYJNAYRXSA-N 2 2 322.905 4.093 20 0 DIADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359946316 1057017119 /nfs/dbraw/zinc/01/71/19/1057017119.db2.gz ZCNQQBXFKJBUNE-JYJNAYRXSA-N 2 2 322.905 4.093 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccsc32)C1 ZINC001241403374 1057041388 /nfs/dbraw/zinc/04/13/88/1057041388.db2.gz CJYVIMMKHAVCGG-MRXNPFEDSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccsc32)C1 ZINC001241403374 1057041391 /nfs/dbraw/zinc/04/13/91/1057041391.db2.gz CJYVIMMKHAVCGG-MRXNPFEDSA-N 2 2 308.450 4.101 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+]Cc1cccc2ccccc21)c1cccnc1 ZINC000922628224 1057042357 /nfs/dbraw/zinc/04/23/57/1057042357.db2.gz CXEAFHWBSQZEGR-NRFANRHFSA-N 2 2 319.452 4.017 20 0 DIADLP Clc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390522675 1057046891 /nfs/dbraw/zinc/04/68/91/1057046891.db2.gz HKFHATUKVMYQQP-LJQANCHMSA-N 2 2 314.860 4.094 20 0 DIADLP Clc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390522675 1057046894 /nfs/dbraw/zinc/04/68/94/1057046894.db2.gz HKFHATUKVMYQQP-LJQANCHMSA-N 2 2 314.860 4.094 20 0 DIADLP CCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000675817569 1057418602 /nfs/dbraw/zinc/41/86/02/1057418602.db2.gz VEMFXKUTNMJBKT-OXQOHEQNSA-N 2 2 320.440 4.459 20 0 DIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918199 1057430702 /nfs/dbraw/zinc/43/07/02/1057430702.db2.gz FAHNBIYJFFKEQJ-QFBILLFUSA-N 2 2 305.425 4.055 20 0 DIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000675918250 1057430830 /nfs/dbraw/zinc/43/08/30/1057430830.db2.gz FSSQGLNRQFWZHC-GDBMZVCRSA-N 2 2 311.454 4.116 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918197 1057431226 /nfs/dbraw/zinc/43/12/26/1057431226.db2.gz FAHNBIYJFFKEQJ-APWZRJJASA-N 2 2 305.425 4.055 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675919904 1057431417 /nfs/dbraw/zinc/43/14/17/1057431417.db2.gz PKERIMQRGOKSEP-PXNSSMCTSA-N 2 2 319.452 4.363 20 0 DIADLP C[NH+](C)Cc1c(F)cc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC001242695920 1057450595 /nfs/dbraw/zinc/45/05/95/1057450595.db2.gz FFSIWGWBLDGBLO-INIZCTEOSA-N 2 2 320.427 4.058 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242985444 1057536903 /nfs/dbraw/zinc/53/69/03/1057536903.db2.gz SYCFELIURJHUCF-LJQANCHMSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242985444 1057536910 /nfs/dbraw/zinc/53/69/10/1057536910.db2.gz SYCFELIURJHUCF-LJQANCHMSA-N 2 2 316.448 4.348 20 0 DIADLP COc1cc2[nH+]c[nH]c2cc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243655307 1057745108 /nfs/dbraw/zinc/74/51/08/1057745108.db2.gz WFNYRISRKQYKQV-UHFFFAOYSA-N 2 2 321.424 4.048 20 0 DIADLP c1c[nH+]c(-c2ccc(-c3cccc(C4CC[NH2+]CC4)c3)cc2)[nH]1 ZINC001243975993 1057826451 /nfs/dbraw/zinc/82/64/51/1057826451.db2.gz FPZYAWAVINBOLA-UHFFFAOYSA-N 2 2 303.409 4.211 20 0 DIADLP Fc1cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[C@H]1CCC[NH2+]1 ZINC001243977915 1057827119 /nfs/dbraw/zinc/82/71/19/1057827119.db2.gz BBYIXSDLCIACRP-GOSISDBHSA-N 2 2 307.372 4.307 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244129399 1057879784 /nfs/dbraw/zinc/87/97/84/1057879784.db2.gz QPXFSLTVDPWVIC-LJQANCHMSA-N 2 2 324.443 4.212 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244129399 1057879790 /nfs/dbraw/zinc/87/97/90/1057879790.db2.gz QPXFSLTVDPWVIC-LJQANCHMSA-N 2 2 324.443 4.212 20 0 DIADLP Cc1c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cccc1C1CC1 ZINC001244133005 1057882224 /nfs/dbraw/zinc/88/22/24/1057882224.db2.gz QNFDNQQPXVDGMM-LJQANCHMSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cccc1C1CC1 ZINC001244133005 1057882228 /nfs/dbraw/zinc/88/22/28/1057882228.db2.gz QNFDNQQPXVDGMM-LJQANCHMSA-N 2 2 306.453 4.072 20 0 DIADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1C(C)C ZINC001244134165 1057882932 /nfs/dbraw/zinc/88/29/32/1057882932.db2.gz NWQJKDOGBJGPAZ-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1C(C)C ZINC001244134165 1057882933 /nfs/dbraw/zinc/88/29/33/1057882933.db2.gz NWQJKDOGBJGPAZ-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244276787 1057921689 /nfs/dbraw/zinc/92/16/89/1057921689.db2.gz SLKGKLHZHQXCLK-FQEVSTJZSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244276787 1057921694 /nfs/dbraw/zinc/92/16/94/1057921694.db2.gz SLKGKLHZHQXCLK-FQEVSTJZSA-N 2 2 306.453 4.072 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(C4CCC4)c3)cc2)C1 ZINC001244980751 1058085083 /nfs/dbraw/zinc/08/50/83/1058085083.db2.gz KKZCCZKJLHNLOY-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(C4CCC4)c3)cc2)C1 ZINC001244980751 1058085086 /nfs/dbraw/zinc/08/50/86/1058085086.db2.gz KKZCCZKJLHNLOY-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245196609 1058126257 /nfs/dbraw/zinc/12/62/57/1058126257.db2.gz IMQVSJNMKFLSTO-IBGZPJMESA-N 2 2 303.409 4.023 20 0 DIADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(C)c1Cl ZINC001245825321 1058518517 /nfs/dbraw/zinc/51/85/17/1058518517.db2.gz DJXYWNJXPOORPQ-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(C)c1Cl ZINC001245825321 1058518539 /nfs/dbraw/zinc/51/85/39/1058518539.db2.gz DJXYWNJXPOORPQ-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246078085 1058667346 /nfs/dbraw/zinc/66/73/46/1058667346.db2.gz GDAXGKCPDZSQLE-ROUUACIJSA-N 2 2 318.823 4.062 20 0 DIADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246074768 1058667731 /nfs/dbraw/zinc/66/77/31/1058667731.db2.gz QIGCXVLSTWYBRU-XHDPSFHLSA-N 2 2 315.288 4.250 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246078807 1058671013 /nfs/dbraw/zinc/67/10/13/1058671013.db2.gz XDCBUTWSWGPACC-CXAGYDPISA-N 2 2 320.889 4.110 20 0 DIADLP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1Cl ZINC001246159218 1058701153 /nfs/dbraw/zinc/70/11/53/1058701153.db2.gz NZEYCZDMYAFHDV-IUODEOHRSA-N 2 2 312.860 4.044 20 0 DIADLP c1ccc(C[NH2+]CC[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC001246166971 1058709743 /nfs/dbraw/zinc/70/97/43/1058709743.db2.gz AFUGQVSXHVVINW-UHFFFAOYSA-N 2 2 308.469 4.092 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246164251 1058709985 /nfs/dbraw/zinc/70/99/85/1058709985.db2.gz ULNKKJGTPQTVQE-ZIAGYGMSSA-N 2 2 312.860 4.188 20 0 DIADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246167729 1058710921 /nfs/dbraw/zinc/71/09/21/1058710921.db2.gz AOGGHZYHZVBYJA-DZGCQCFKSA-N 2 2 315.288 4.250 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246167734 1058712908 /nfs/dbraw/zinc/71/29/08/1058712908.db2.gz AOGGHZYHZVBYJA-HIFRSBDPSA-N 2 2 315.288 4.250 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246167741 1058713162 /nfs/dbraw/zinc/71/31/62/1058713162.db2.gz AOGGHZYHZVBYJA-ZFWWWQNUSA-N 2 2 315.288 4.250 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246170469 1058713385 /nfs/dbraw/zinc/71/33/85/1058713385.db2.gz KPXHJGSJPGWVDU-FICVDOATSA-N 2 2 315.288 4.392 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246179146 1058722804 /nfs/dbraw/zinc/72/28/04/1058722804.db2.gz DBBGXVYUZUUWSD-HUUCEWRRSA-N 2 2 315.288 4.394 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC[NH2+]1 ZINC001246182029 1058726355 /nfs/dbraw/zinc/72/63/55/1058726355.db2.gz WASJBTVDBFFKJW-QHAWAJNXSA-N 2 2 323.484 4.071 20 0 DIADLP CCCCC(CCCC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197179 1058738628 /nfs/dbraw/zinc/73/86/28/1058738628.db2.gz YWMMYMRSKIAETE-HNNXBMFYSA-N 2 2 308.432 4.256 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C[C@H](CC)[NH2+]1 ZINC001246233774 1058758414 /nfs/dbraw/zinc/75/84/14/1058758414.db2.gz DZYBJJAMEAQPBG-JTJHWIPRSA-N 2 2 323.484 4.070 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C[C@H](CC)[NH2+]1 ZINC001246233783 1058758672 /nfs/dbraw/zinc/75/86/72/1058758672.db2.gz DZYBJJAMEAQPBG-XODKDNOYSA-N 2 2 323.484 4.070 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246237961 1058761929 /nfs/dbraw/zinc/76/19/29/1058761929.db2.gz XVSNEJYNRVDQIP-STQMWFEESA-N 2 2 316.823 4.019 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246251940 1058770368 /nfs/dbraw/zinc/77/03/68/1058770368.db2.gz GNZJKVQKEYGWTJ-QJPTWQEYSA-N 2 2 301.261 4.175 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C(C)(C)C1)c1c(Cl)cccc1Cl ZINC001246254375 1058774130 /nfs/dbraw/zinc/77/41/30/1058774130.db2.gz QBTZQZAFTVOMMA-WDEREUQCSA-N 2 2 301.261 4.175 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1c(F)cccc1Cl ZINC001246293196 1058808920 /nfs/dbraw/zinc/80/89/20/1058808920.db2.gz AYQISVRCTHSCSK-HUBLWGQQSA-N 2 2 312.860 4.296 20 0 DIADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC001246308392 1058817826 /nfs/dbraw/zinc/81/78/26/1058817826.db2.gz QWVRLTFSKRCRTE-JRGCBEDISA-N 2 2 324.443 4.360 20 0 DIADLP CC[C@H]1C[C@@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246322019 1058835859 /nfs/dbraw/zinc/83/58/59/1058835859.db2.gz GNZJKVQKEYGWTJ-WOPDTQHZSA-N 2 2 301.261 4.175 20 0 DIADLP Clc1cc(Cl)c(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246341200 1058846790 /nfs/dbraw/zinc/84/67/90/1058846790.db2.gz HQQAQPPNMUXQEH-FOSCPWQOSA-N 2 2 319.663 4.019 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519559 1058980814 /nfs/dbraw/zinc/98/08/14/1058980814.db2.gz OFUOWUMPAAUFLE-ICSRJNTNSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519559 1058980829 /nfs/dbraw/zinc/98/08/29/1058980829.db2.gz OFUOWUMPAAUFLE-ICSRJNTNSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815599 1059106651 /nfs/dbraw/zinc/10/66/51/1059106651.db2.gz ZAKFVCFPFZZGHW-AEFFLSMTSA-N 2 2 318.461 4.121 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815599 1059106657 /nfs/dbraw/zinc/10/66/57/1059106657.db2.gz ZAKFVCFPFZZGHW-AEFFLSMTSA-N 2 2 318.461 4.121 20 0 DIADLP Clc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246837450 1059118702 /nfs/dbraw/zinc/11/87/02/1059118702.db2.gz UEYRDLBDUZOAJJ-GOSISDBHSA-N 2 2 318.892 4.153 20 0 DIADLP Clc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246837450 1059118708 /nfs/dbraw/zinc/11/87/08/1059118708.db2.gz UEYRDLBDUZOAJJ-GOSISDBHSA-N 2 2 318.892 4.153 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838958 1059119457 /nfs/dbraw/zinc/11/94/57/1059119457.db2.gz KTXBIMFSAXFHTI-RYUDHWBXSA-N 2 2 308.878 4.127 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838958 1059119464 /nfs/dbraw/zinc/11/94/64/1059119464.db2.gz KTXBIMFSAXFHTI-RYUDHWBXSA-N 2 2 308.878 4.127 20 0 DIADLP C[N@H+](Cc1sc2ccccc2c1Cl)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246839829 1059120029 /nfs/dbraw/zinc/12/00/29/1059120029.db2.gz MZDZPTXFNOXCMW-FUNVUKJBSA-N 2 2 318.873 4.046 20 0 DIADLP C[N@@H+](Cc1sc2ccccc2c1Cl)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246839829 1059120044 /nfs/dbraw/zinc/12/00/44/1059120044.db2.gz MZDZPTXFNOXCMW-FUNVUKJBSA-N 2 2 318.873 4.046 20 0 DIADLP Clc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246867995 1059140747 /nfs/dbraw/zinc/14/07/47/1059140747.db2.gz KSCHVDPQZDEAPE-MOPGFXCFSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246867995 1059140750 /nfs/dbraw/zinc/14/07/50/1059140750.db2.gz KSCHVDPQZDEAPE-MOPGFXCFSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1cccc2c1C[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246868002 1059141337 /nfs/dbraw/zinc/14/13/37/1059141337.db2.gz MDZSQZSNNFCWRE-QFBILLFUSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1cccc2c1C[N@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246868002 1059141355 /nfs/dbraw/zinc/14/13/55/1059141355.db2.gz MDZSQZSNNFCWRE-QFBILLFUSA-N 2 2 312.844 4.149 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246905747 1059166361 /nfs/dbraw/zinc/16/63/61/1059166361.db2.gz BFFDWJAMXHZUMG-CKEIUWERSA-N 2 2 308.897 4.500 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246905747 1059166383 /nfs/dbraw/zinc/16/63/83/1059166383.db2.gz BFFDWJAMXHZUMG-CKEIUWERSA-N 2 2 308.897 4.500 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905774 1059167156 /nfs/dbraw/zinc/16/71/56/1059167156.db2.gz BNBZQEIRKRVETJ-HOTGVXAUSA-N 2 2 310.432 4.098 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905774 1059167169 /nfs/dbraw/zinc/16/71/69/1059167169.db2.gz BNBZQEIRKRVETJ-HOTGVXAUSA-N 2 2 310.432 4.098 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951432 1059196587 /nfs/dbraw/zinc/19/65/87/1059196587.db2.gz ZKFXMIPJJHINNV-WSTZPKSXSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246951432 1059196596 /nfs/dbraw/zinc/19/65/96/1059196596.db2.gz ZKFXMIPJJHINNV-WSTZPKSXSA-N 2 2 317.521 4.241 20 0 DIADLP CCCCCC[C@@H](CC)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953013 1059198105 /nfs/dbraw/zinc/19/81/05/1059198105.db2.gz OHJOQZCZGFZFDW-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@@H](CC)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953013 1059198112 /nfs/dbraw/zinc/19/81/12/1059198112.db2.gz OHJOQZCZGFZFDW-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952677 1059202162 /nfs/dbraw/zinc/20/21/62/1059202162.db2.gz LTOSTOYBXGDRCG-GGPKGHCWSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952677 1059202179 /nfs/dbraw/zinc/20/21/79/1059202179.db2.gz LTOSTOYBXGDRCG-GGPKGHCWSA-N 2 2 317.521 4.241 20 0 DIADLP CCCC[C@H](CC)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246961635 1059205907 /nfs/dbraw/zinc/20/59/07/1059205907.db2.gz HCMLKODHTRHXHH-HNNXBMFYSA-N 2 2 324.459 4.488 20 0 DIADLP CCCC[C@H](CC)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246961635 1059205925 /nfs/dbraw/zinc/20/59/25/1059205925.db2.gz HCMLKODHTRHXHH-HNNXBMFYSA-N 2 2 324.459 4.488 20 0 DIADLP CC1(C)CC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966170 1059210717 /nfs/dbraw/zinc/21/07/17/1059210717.db2.gz VDWCNPDMGWHQKL-OAHLLOKOSA-N 2 2 322.443 4.098 20 0 DIADLP CC1(C)CC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966170 1059210735 /nfs/dbraw/zinc/21/07/35/1059210735.db2.gz VDWCNPDMGWHQKL-OAHLLOKOSA-N 2 2 322.443 4.098 20 0 DIADLP c1sc2ccccc2c1C1CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246977939 1059220506 /nfs/dbraw/zinc/22/05/06/1059220506.db2.gz GJRCETPWARBUFU-MRXNPFEDSA-N 2 2 314.498 4.223 20 0 DIADLP c1cn(CC[NH+](CC2CCCCC2)CC2CCCCC2)c[nH+]1 ZINC001559497296 1059280100 /nfs/dbraw/zinc/28/01/00/1059280100.db2.gz RBFACEBUUDXYRC-UHFFFAOYSA-N 2 2 303.494 4.346 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC001559645390 1059471669 /nfs/dbraw/zinc/47/16/69/1059471669.db2.gz FTKIHFBBGMDQOD-WOJBJXKFSA-N 2 2 300.490 4.380 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC001559645390 1059471676 /nfs/dbraw/zinc/47/16/76/1059471676.db2.gz FTKIHFBBGMDQOD-WOJBJXKFSA-N 2 2 300.490 4.380 20 0 DIADLP Clc1ccc([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC001559837076 1059667162 /nfs/dbraw/zinc/66/71/62/1059667162.db2.gz MEIWJDPCXIJBKV-QGZVFWFLSA-N 2 2 303.837 4.154 20 0 DIADLP Clc1ccc([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC001559837076 1059667170 /nfs/dbraw/zinc/66/71/70/1059667170.db2.gz MEIWJDPCXIJBKV-QGZVFWFLSA-N 2 2 303.837 4.154 20 0 DIADLP CCCc1cc[nH+]c(Nc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC001248411343 1059819412 /nfs/dbraw/zinc/81/94/12/1059819412.db2.gz SQDOWLZYUTYWMA-UHFFFAOYSA-N 2 2 313.445 4.108 20 0 DIADLP C[NH+](C)CCCOc1ccc(Nc2[nH+]cccc2C2CC2)cc1 ZINC001248411074 1059820267 /nfs/dbraw/zinc/82/02/67/1059820267.db2.gz LZRKAICNIGUYAC-UHFFFAOYSA-N 2 2 311.429 4.033 20 0 DIADLP CC[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC001560059527 1059872379 /nfs/dbraw/zinc/87/23/79/1059872379.db2.gz SHQKXSQGXPCVPM-FQEVSTJZSA-N 2 2 323.415 4.426 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001560091832 1059902124 /nfs/dbraw/zinc/90/21/24/1059902124.db2.gz PYLLANDUXNRWQA-GUDVDZBRSA-N 2 2 300.490 4.033 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001560091832 1059902137 /nfs/dbraw/zinc/90/21/37/1059902137.db2.gz PYLLANDUXNRWQA-GUDVDZBRSA-N 2 2 300.490 4.033 20 0 DIADLP CC1(C)CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC001560091906 1059903969 /nfs/dbraw/zinc/90/39/69/1059903969.db2.gz DGYCGXLKRXYDES-OALUTQOASA-N 2 2 311.473 4.225 20 0 DIADLP c1cc(C2CCCCC2)ccc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001248887242 1060042649 /nfs/dbraw/zinc/04/26/49/1060042649.db2.gz FDXUQORVOYUAHN-UHFFFAOYSA-N 2 2 312.501 4.404 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001560351100 1060134660 /nfs/dbraw/zinc/13/46/60/1060134660.db2.gz ROEORDCMHUTEKS-XLIONFOSSA-N 2 2 314.517 4.034 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2sc(Cl)c3ccccc32)CC1 ZINC001249068727 1060143611 /nfs/dbraw/zinc/14/36/11/1060143611.db2.gz YEXQWACSDFJXRF-UHFFFAOYSA-N 2 2 322.905 4.471 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2sc(Cl)c3ccccc32)CC1 ZINC001249068727 1060143628 /nfs/dbraw/zinc/14/36/28/1060143628.db2.gz YEXQWACSDFJXRF-UHFFFAOYSA-N 2 2 322.905 4.471 20 0 DIADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075053 1060146915 /nfs/dbraw/zinc/14/69/15/1060146915.db2.gz GSQRPMMDUYMYGT-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075053 1060146920 /nfs/dbraw/zinc/14/69/20/1060146920.db2.gz GSQRPMMDUYMYGT-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075053 1060146923 /nfs/dbraw/zinc/14/69/23/1060146923.db2.gz GSQRPMMDUYMYGT-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075053 1060146929 /nfs/dbraw/zinc/14/69/29/1060146929.db2.gz GSQRPMMDUYMYGT-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP c1cn(-c2csc(C[NH2+]CC3(Cc4ccccc4)CC3)c2)c[nH+]1 ZINC001560405015 1060190055 /nfs/dbraw/zinc/19/00/55/1060190055.db2.gz SXHWVCBFDPLKRV-UHFFFAOYSA-N 2 2 323.465 4.046 20 0 DIADLP CCC[C@H](C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572787 1060384818 /nfs/dbraw/zinc/38/48/18/1060384818.db2.gz CICXJRJOMZSPHC-PKOBYXMFSA-N 2 2 302.506 4.455 20 0 DIADLP CCC[C@H](C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572787 1060384838 /nfs/dbraw/zinc/38/48/38/1060384838.db2.gz CICXJRJOMZSPHC-PKOBYXMFSA-N 2 2 302.506 4.455 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001560615371 1060428557 /nfs/dbraw/zinc/42/85/57/1060428557.db2.gz NTVWQJQZSOFZBC-UXHICEINSA-N 2 2 314.517 4.424 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001560615371 1060428567 /nfs/dbraw/zinc/42/85/67/1060428567.db2.gz NTVWQJQZSOFZBC-UXHICEINSA-N 2 2 314.517 4.424 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644098 1060464402 /nfs/dbraw/zinc/46/44/02/1060464402.db2.gz HTCKFMRCHZILTO-MXEMCNAFSA-N 2 2 312.501 4.055 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644098 1060464409 /nfs/dbraw/zinc/46/44/09/1060464409.db2.gz HTCKFMRCHZILTO-MXEMCNAFSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644098 1060464418 /nfs/dbraw/zinc/46/44/18/1060464418.db2.gz HTCKFMRCHZILTO-MXEMCNAFSA-N 2 2 312.501 4.055 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001560644098 1060464424 /nfs/dbraw/zinc/46/44/24/1060464424.db2.gz HTCKFMRCHZILTO-MXEMCNAFSA-N 2 2 312.501 4.055 20 0 DIADLP Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1F ZINC001560657711 1060481149 /nfs/dbraw/zinc/48/11/49/1060481149.db2.gz XBHJPIOPOGYPEM-GOSISDBHSA-N 2 2 318.480 4.078 20 0 DIADLP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1F ZINC001560657711 1060481158 /nfs/dbraw/zinc/48/11/58/1060481158.db2.gz XBHJPIOPOGYPEM-GOSISDBHSA-N 2 2 318.480 4.078 20 0 DIADLP C[NH+](C)C1(C[NH2+]CC2CCC(c3ccccc3)CC2)CCC1 ZINC001560763268 1060629335 /nfs/dbraw/zinc/62/93/35/1060629335.db2.gz HLJLTDAFWGUOOQ-UHFFFAOYSA-N 2 2 300.490 4.034 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001560807338 1060668796 /nfs/dbraw/zinc/66/87/96/1060668796.db2.gz BWBCAOVSUBAZCL-QUCCMNQESA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001560807338 1060668800 /nfs/dbraw/zinc/66/88/00/1060668800.db2.gz BWBCAOVSUBAZCL-QUCCMNQESA-N 2 2 300.490 4.004 20 0 DIADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1(C)C ZINC001560844738 1060699942 /nfs/dbraw/zinc/69/99/42/1060699942.db2.gz AJQIPCAMFZFDAA-IPMKNSEASA-N 2 2 324.553 4.070 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)c1 ZINC001560943636 1060807801 /nfs/dbraw/zinc/80/78/01/1060807801.db2.gz WNSAGYSOSRMIOH-KNQAVFIVSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)c1 ZINC001560943636 1060807816 /nfs/dbraw/zinc/80/78/16/1060807816.db2.gz WNSAGYSOSRMIOH-KNQAVFIVSA-N 2 2 322.496 4.304 20 0 DIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1F ZINC001560947857 1060815460 /nfs/dbraw/zinc/81/54/60/1060815460.db2.gz JPNFOKKRKVBISO-ZGHZSDCSSA-N 2 2 322.443 4.030 20 0 DIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1F ZINC001560947857 1060815476 /nfs/dbraw/zinc/81/54/76/1060815476.db2.gz JPNFOKKRKVBISO-ZGHZSDCSSA-N 2 2 322.443 4.030 20 0 DIADLP Cc1cc(C)cc(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001560983472 1060847720 /nfs/dbraw/zinc/84/77/20/1060847720.db2.gz CYTVVJRHTSARAO-OAQYLSRUSA-N 2 2 319.452 4.074 20 0 DIADLP Cc1cc(C)cc(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001560983469 1060848124 /nfs/dbraw/zinc/84/81/24/1060848124.db2.gz CYTVVJRHTSARAO-NRFANRHFSA-N 2 2 319.452 4.074 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001560985769 1060849847 /nfs/dbraw/zinc/84/98/47/1060849847.db2.gz LCDMXFKZCRHXEM-LPHOPBHVSA-N 2 2 315.505 4.208 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001560985769 1060849854 /nfs/dbraw/zinc/84/98/54/1060849854.db2.gz LCDMXFKZCRHXEM-LPHOPBHVSA-N 2 2 315.505 4.208 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042835 1060893719 /nfs/dbraw/zinc/89/37/19/1060893719.db2.gz KKJDUUBPEPLHCY-WMZOPIPTSA-N 2 2 320.908 4.298 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042835 1060893730 /nfs/dbraw/zinc/89/37/30/1060893730.db2.gz KKJDUUBPEPLHCY-WMZOPIPTSA-N 2 2 320.908 4.298 20 0 DIADLP C[C@H]1CCC[C@@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001462145303 1060967414 /nfs/dbraw/zinc/96/74/14/1060967414.db2.gz GZONEYZIQCLJGX-RBUKOAKNSA-N 2 2 306.538 4.449 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC001462194524 1061018806 /nfs/dbraw/zinc/01/88/06/1061018806.db2.gz UVKWVQCKUPVMAK-UHFFFAOYSA-N 2 2 322.452 4.311 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001462204862 1061024862 /nfs/dbraw/zinc/02/48/62/1061024862.db2.gz WFWZQMCNIIAXCO-OALUTQOASA-N 2 2 302.506 4.108 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001462204862 1061024879 /nfs/dbraw/zinc/02/48/79/1061024879.db2.gz WFWZQMCNIIAXCO-OALUTQOASA-N 2 2 302.506 4.108 20 0 DIADLP Fc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001278596281 1061057020 /nfs/dbraw/zinc/05/70/20/1061057020.db2.gz KNQICCSHMLTYOL-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001278596281 1061057031 /nfs/dbraw/zinc/05/70/31/1061057031.db2.gz KNQICCSHMLTYOL-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001278596281 1061057034 /nfs/dbraw/zinc/05/70/34/1061057034.db2.gz KNQICCSHMLTYOL-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001278596281 1061057041 /nfs/dbraw/zinc/05/70/41/1061057041.db2.gz KNQICCSHMLTYOL-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C2CCCCC2)cc1 ZINC001473343557 1061101703 /nfs/dbraw/zinc/10/17/03/1061101703.db2.gz OUKMCFPBGRDOEC-UHFFFAOYSA-N 2 2 311.473 4.453 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C2CCCCC2)cc1 ZINC001473343557 1061101715 /nfs/dbraw/zinc/10/17/15/1061101715.db2.gz OUKMCFPBGRDOEC-UHFFFAOYSA-N 2 2 311.473 4.453 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001462387481 1061143108 /nfs/dbraw/zinc/14/31/08/1061143108.db2.gz QDXVCELPUWZAPD-AABGKKOBSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001462387481 1061143110 /nfs/dbraw/zinc/14/31/10/1061143110.db2.gz QDXVCELPUWZAPD-AABGKKOBSA-N 2 2 300.490 4.004 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC001462475920 1061195122 /nfs/dbraw/zinc/19/51/22/1061195122.db2.gz BGXXHUPRBWIKKY-XLIONFOSSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC001462475920 1061195126 /nfs/dbraw/zinc/19/51/26/1061195126.db2.gz BGXXHUPRBWIKKY-XLIONFOSSA-N 2 2 310.441 4.046 20 0 DIADLP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487390 1061206407 /nfs/dbraw/zinc/20/64/07/1061206407.db2.gz SUZVSYSZPYWDSB-KBXCAEBGSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(Cl)c1 ZINC001462487390 1061206428 /nfs/dbraw/zinc/20/64/28/1061206428.db2.gz SUZVSYSZPYWDSB-KBXCAEBGSA-N 2 2 306.881 4.050 20 0 DIADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001462542749 1061248524 /nfs/dbraw/zinc/24/85/24/1061248524.db2.gz NLJBKKNOTVTMMA-UHFFFAOYSA-N 2 2 315.505 4.054 20 0 DIADLP CC1(C)CCC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC001462585557 1061279588 /nfs/dbraw/zinc/27/95/88/1061279588.db2.gz LOZWPRWLGBOHGN-MRXNPFEDSA-N 2 2 301.478 4.174 20 0 DIADLP C[C@@]1(c2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473756312 1061396572 /nfs/dbraw/zinc/39/65/72/1061396572.db2.gz ZFSZPKRVACWLCC-NRFANRHFSA-N 2 2 317.436 4.384 20 0 DIADLP C[C@@]1(c2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473756312 1061396591 /nfs/dbraw/zinc/39/65/91/1061396591.db2.gz ZFSZPKRVACWLCC-NRFANRHFSA-N 2 2 317.436 4.384 20 0 DIADLP C[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC1CCCCC1 ZINC001473950142 1061492629 /nfs/dbraw/zinc/49/26/29/1061492629.db2.gz FHMIDKGZQRTNTF-FUHWJXTLSA-N 2 2 305.510 4.494 20 0 DIADLP CCc1ccccc1C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001473996944 1061540573 /nfs/dbraw/zinc/54/05/73/1061540573.db2.gz GLFOIEMMNRZDRW-QGZVFWFLSA-N 2 2 310.485 4.468 20 0 DIADLP C[C@@H]1CC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C[C@@H](C)C1 ZINC001474001253 1061542372 /nfs/dbraw/zinc/54/23/72/1061542372.db2.gz IQYCQZUJTFMSGS-IRXDYDNUSA-N 2 2 324.578 4.152 20 0 DIADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023467 1061563590 /nfs/dbraw/zinc/56/35/90/1061563590.db2.gz ZUVWQLOJHYILOO-QZTJIDSGSA-N 2 2 316.533 4.094 20 0 DIADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001474023467 1061563608 /nfs/dbraw/zinc/56/36/08/1061563608.db2.gz ZUVWQLOJHYILOO-QZTJIDSGSA-N 2 2 316.533 4.094 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]CCCNc2cccc[nH+]2)c(C)c1 ZINC001474035008 1061580375 /nfs/dbraw/zinc/58/03/75/1061580375.db2.gz NHNGMHUEECCVCE-SOFGYWHQSA-N 2 2 309.457 4.112 20 0 DIADLP CC[N@@H+](c1ccc(NCc2cccc3[nH+]ccn32)cc1)C(C)C ZINC001474063173 1061610377 /nfs/dbraw/zinc/61/03/77/1061610377.db2.gz VWRXPWZDAOMZPV-UHFFFAOYSA-N 2 2 308.429 4.181 20 0 DIADLP CC[N@H+](c1ccc(NCc2cccc3[nH+]ccn32)cc1)C(C)C ZINC001474063173 1061610381 /nfs/dbraw/zinc/61/03/81/1061610381.db2.gz VWRXPWZDAOMZPV-UHFFFAOYSA-N 2 2 308.429 4.181 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccccc2F)c(C)c1 ZINC001474082315 1061630358 /nfs/dbraw/zinc/63/03/58/1061630358.db2.gz PHONPFYUSYNUOT-HXUWFJFHSA-N 2 2 323.415 4.170 20 0 DIADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474088276 1061634264 /nfs/dbraw/zinc/63/42/64/1061634264.db2.gz ZHNRDLWZZDCTPZ-KUHUBIRLSA-N 2 2 323.465 4.347 20 0 DIADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474088277 1061635019 /nfs/dbraw/zinc/63/50/19/1061635019.db2.gz ZHNRDLWZZDCTPZ-LIRRHRJNSA-N 2 2 323.465 4.347 20 0 DIADLP CC(C)[C@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001474127531 1061673563 /nfs/dbraw/zinc/67/35/63/1061673563.db2.gz BZCUQEDPIBYUHD-IBGZPJMESA-N 2 2 302.506 4.138 20 0 DIADLP CC(C)[C@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001474127531 1061673567 /nfs/dbraw/zinc/67/35/67/1061673567.db2.gz BZCUQEDPIBYUHD-IBGZPJMESA-N 2 2 302.506 4.138 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C)[NH+](CC)CC)cc1 ZINC001474164805 1061709961 /nfs/dbraw/zinc/70/99/61/1061709961.db2.gz RXRVTWYETNHMHZ-AHRSYUTCSA-N 2 2 302.506 4.410 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC001474230503 1061793002 /nfs/dbraw/zinc/79/30/02/1061793002.db2.gz MIGIMLIQNNZZRO-FAFZWHIHSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001474230503 1061793023 /nfs/dbraw/zinc/79/30/23/1061793023.db2.gz MIGIMLIQNNZZRO-FAFZWHIHSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)c1ccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001474315749 1061886590 /nfs/dbraw/zinc/88/65/90/1061886590.db2.gz WQHZVFFYDLLEJT-UHFFFAOYSA-N 2 2 320.440 4.023 20 0 DIADLP CC(C)c1ccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001474315749 1061886601 /nfs/dbraw/zinc/88/66/01/1061886601.db2.gz WQHZVFFYDLLEJT-UHFFFAOYSA-N 2 2 320.440 4.023 20 0 DIADLP CC(C)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C ZINC001474322910 1061903332 /nfs/dbraw/zinc/90/33/32/1061903332.db2.gz RGZLMKXWWWNQGC-UHFFFAOYSA-N 2 2 305.491 4.438 20 0 DIADLP CC(C)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C ZINC001474322910 1061903355 /nfs/dbraw/zinc/90/33/55/1061903355.db2.gz RGZLMKXWWWNQGC-UHFFFAOYSA-N 2 2 305.491 4.438 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cs2)[nH+]1 ZINC001474323789 1061909330 /nfs/dbraw/zinc/90/93/30/1061909330.db2.gz HPEWZUAOFGLPBI-AWEZNQCLSA-N 2 2 321.877 4.181 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(Cl)cs2)[nH+]1 ZINC001474323789 1061909356 /nfs/dbraw/zinc/90/93/56/1061909356.db2.gz HPEWZUAOFGLPBI-AWEZNQCLSA-N 2 2 321.877 4.181 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[N@@H+]1C ZINC001474351633 1061961990 /nfs/dbraw/zinc/96/19/90/1061961990.db2.gz KDFTWVMPGIUETQ-QVHKTLOISA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351633 1061961940 /nfs/dbraw/zinc/96/19/40/1061961940.db2.gz KDFTWVMPGIUETQ-QVHKTLOISA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[NH+]1C ZINC001474351633 1061961962 /nfs/dbraw/zinc/96/19/62/1061961962.db2.gz KDFTWVMPGIUETQ-QVHKTLOISA-N 2 2 310.532 4.088 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2C[C@H](C)Sc3sccc32)CC[N@H+]1C ZINC001474351633 1061962007 /nfs/dbraw/zinc/96/20/07/1061962007.db2.gz KDFTWVMPGIUETQ-QVHKTLOISA-N 2 2 310.532 4.088 20 0 DIADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+]C2CCC3(CC3)CC2)cc1 ZINC001254436559 1062100772 /nfs/dbraw/zinc/10/07/72/1062100772.db2.gz GVPVJSVIMVERGN-FQEVSTJZSA-N 2 2 312.501 4.006 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465167 1062145452 /nfs/dbraw/zinc/14/54/52/1062145452.db2.gz KDVZKGKQAGERFM-HBMCJLEFSA-N 2 2 314.517 4.311 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465167 1062145472 /nfs/dbraw/zinc/14/54/72/1062145472.db2.gz KDVZKGKQAGERFM-HBMCJLEFSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H](C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496326 1062177378 /nfs/dbraw/zinc/17/73/78/1062177378.db2.gz GAYHMNRYPFUSDX-RHSMWYFYSA-N 2 2 308.897 4.154 20 0 DIADLP C[C@H](C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496326 1062177393 /nfs/dbraw/zinc/17/73/93/1062177393.db2.gz GAYHMNRYPFUSDX-RHSMWYFYSA-N 2 2 308.897 4.154 20 0 DIADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001474514573 1062197773 /nfs/dbraw/zinc/19/77/73/1062197773.db2.gz AKQIXTMUQCCOHY-UHFFFAOYSA-N 2 2 324.509 4.148 20 0 DIADLP Fc1ccc(-c2cccc(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)c2)cc1 ZINC001254843521 1062262203 /nfs/dbraw/zinc/26/22/03/1062262203.db2.gz FVMKOMBZVUOVAG-OAQYLSRUSA-N 2 2 324.443 4.067 20 0 DIADLP Fc1ccc([C@H](CC2CCC2)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254848730 1062264602 /nfs/dbraw/zinc/26/46/02/1062264602.db2.gz VSNGBTQLVQBJRR-PMACEKPBSA-N 2 2 316.464 4.131 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630650 1062352004 /nfs/dbraw/zinc/35/20/04/1062352004.db2.gz PIWAPEXWAVZXAB-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001474630650 1062352027 /nfs/dbraw/zinc/35/20/27/1062352027.db2.gz PIWAPEXWAVZXAB-RTBURBONSA-N 2 2 304.522 4.486 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001474630388 1062352922 /nfs/dbraw/zinc/35/29/22/1062352922.db2.gz KPCYFEGGJWQTHS-PCCBWWKXSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001474630388 1062352944 /nfs/dbraw/zinc/35/29/44/1062352944.db2.gz KPCYFEGGJWQTHS-PCCBWWKXSA-N 2 2 312.501 4.319 20 0 DIADLP CC(C)(C)c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658023 1062390935 /nfs/dbraw/zinc/39/09/35/1062390935.db2.gz BNBQGQKYSLNFMC-FQEVSTJZSA-N 2 2 314.517 4.133 20 0 DIADLP CC(C)(C)c1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658023 1062390953 /nfs/dbraw/zinc/39/09/53/1062390953.db2.gz BNBQGQKYSLNFMC-FQEVSTJZSA-N 2 2 314.517 4.133 20 0 DIADLP CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001255316621 1062391112 /nfs/dbraw/zinc/39/11/12/1062391112.db2.gz FGUZCKRJYLVNJG-INIZCTEOSA-N 2 2 306.469 4.267 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(Cl)c2C)CC1 ZINC001474659440 1062393784 /nfs/dbraw/zinc/39/37/84/1062393784.db2.gz HNRLDPASTWUXLK-UHFFFAOYSA-N 2 2 320.908 4.489 20 0 DIADLP Cc1ccc([C@H](C)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001474682079 1062413738 /nfs/dbraw/zinc/41/37/38/1062413738.db2.gz HDRDDEGPOZCVKF-NQIIRXRSSA-N 2 2 319.452 4.326 20 0 DIADLP CC[C@H](Cc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683297 1062417495 /nfs/dbraw/zinc/41/74/95/1062417495.db2.gz XULSKHMRVZWEPG-NHCUHLMSSA-N 2 2 319.452 4.235 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+]CCC1CCCCCC1)c1cccnc1 ZINC001474717051 1062441924 /nfs/dbraw/zinc/44/19/24/1062441924.db2.gz WUUATXXIOWOJSW-LJQANCHMSA-N 2 2 303.494 4.025 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001255698615 1062524555 /nfs/dbraw/zinc/52/45/55/1062524555.db2.gz BVWWAVYLDCISFI-HUUCEWRRSA-N 2 2 323.362 4.302 20 0 DIADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC001255757644 1062579084 /nfs/dbraw/zinc/57/90/84/1062579084.db2.gz YVTRDUYYTBMDFO-IAGOWNOFSA-N 2 2 318.530 4.082 20 0 DIADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC001255757644 1062579103 /nfs/dbraw/zinc/57/91/03/1062579103.db2.gz YVTRDUYYTBMDFO-IAGOWNOFSA-N 2 2 318.530 4.082 20 0 DIADLP Cc1ccc(SC[C@@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001255773054 1062595434 /nfs/dbraw/zinc/59/54/34/1062595434.db2.gz SOQJLFWBHKNTJS-QGZVFWFLSA-N 2 2 320.546 4.280 20 0 DIADLP Cc1ccc(SC[C@@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001255773054 1062595447 /nfs/dbraw/zinc/59/54/47/1062595447.db2.gz SOQJLFWBHKNTJS-QGZVFWFLSA-N 2 2 320.546 4.280 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255879888 1062652592 /nfs/dbraw/zinc/65/25/92/1062652592.db2.gz NKKDIWDNLIZLHP-MRXNPFEDSA-N 2 2 318.480 4.096 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255879888 1062652600 /nfs/dbraw/zinc/65/26/00/1062652600.db2.gz NKKDIWDNLIZLHP-MRXNPFEDSA-N 2 2 318.480 4.096 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256068049 1062691665 /nfs/dbraw/zinc/69/16/65/1062691665.db2.gz UMKBVCIPAHQGKY-UHFFFAOYSA-N 2 2 313.272 4.018 20 0 DIADLP c1cn2cc(C[NH2+][C@@H]3CCC[C@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001256113519 1062712673 /nfs/dbraw/zinc/71/26/73/1062712673.db2.gz MMKYPNLRKRNLQH-RBUKOAKNSA-N 2 2 305.425 4.150 20 0 DIADLP c1cn(C2CC[NH+]([C@H]3CCC[C@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001256120537 1062719475 /nfs/dbraw/zinc/71/94/75/1062719475.db2.gz FEWVQVIASMETBK-ICSRJNTNSA-N 2 2 309.457 4.246 20 0 DIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCC(C)C)CC1 ZINC001256353100 1062782147 /nfs/dbraw/zinc/78/21/47/1062782147.db2.gz OPBVZPWVRFSIRF-KRWDZBQOSA-N 2 2 318.505 4.074 20 0 DIADLP CC(C)CC[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256364101 1062786944 /nfs/dbraw/zinc/78/69/44/1062786944.db2.gz PXPLXNWKHHAECA-GOSISDBHSA-N 2 2 302.506 4.408 20 0 DIADLP CC(C)CC[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256364101 1062786965 /nfs/dbraw/zinc/78/69/65/1062786965.db2.gz PXPLXNWKHHAECA-GOSISDBHSA-N 2 2 302.506 4.408 20 0 DIADLP C[C@H]1C[C@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555414 1062872155 /nfs/dbraw/zinc/87/21/55/1062872155.db2.gz UXDGKVKHBMNBIG-HRAATJIYSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555414 1062872180 /nfs/dbraw/zinc/87/21/80/1062872180.db2.gz UXDGKVKHBMNBIG-HRAATJIYSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555414 1062872201 /nfs/dbraw/zinc/87/22/01/1062872201.db2.gz UXDGKVKHBMNBIG-HRAATJIYSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555414 1062872221 /nfs/dbraw/zinc/87/22/21/1062872221.db2.gz UXDGKVKHBMNBIG-HRAATJIYSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2C3CCCC2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552272 1062879392 /nfs/dbraw/zinc/87/93/92/1062879392.db2.gz ATOPOZYITQVMKY-GHOZHQTGSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2C3CCCC2CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552272 1062879421 /nfs/dbraw/zinc/87/94/21/1062879421.db2.gz ATOPOZYITQVMKY-GHOZHQTGSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(F)c1Cl ZINC001256565601 1062891754 /nfs/dbraw/zinc/89/17/54/1062891754.db2.gz DULJKARQMUNWPU-GFCCVEGCSA-N 2 2 312.860 4.393 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001256567821 1062894492 /nfs/dbraw/zinc/89/44/92/1062894492.db2.gz ZKTNKGUCECNVHH-KRWDZBQOSA-N 2 2 321.896 4.039 20 0 DIADLP Cc1cccc2c1CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256604601 1062913116 /nfs/dbraw/zinc/91/31/16/1062913116.db2.gz TXTUJNQVFYJFGS-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP Cc1cccc2c1CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256604601 1062913135 /nfs/dbraw/zinc/91/31/35/1062913135.db2.gz TXTUJNQVFYJFGS-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001460579873 1062920862 /nfs/dbraw/zinc/92/08/62/1062920862.db2.gz QCAPIXDKKTVYOU-INIZCTEOSA-N 2 2 304.453 4.227 20 0 DIADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460663423 1062969661 /nfs/dbraw/zinc/96/96/61/1062969661.db2.gz MCXFYQPFLIQPII-AWEZNQCLSA-N 2 2 309.457 4.081 20 0 DIADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460663423 1062969684 /nfs/dbraw/zinc/96/96/84/1062969684.db2.gz MCXFYQPFLIQPII-AWEZNQCLSA-N 2 2 309.457 4.081 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001460734723 1063029452 /nfs/dbraw/zinc/02/94/52/1063029452.db2.gz WEJMJQYGKIJLAZ-SFTDATJTSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001460734723 1063029468 /nfs/dbraw/zinc/02/94/68/1063029468.db2.gz WEJMJQYGKIJLAZ-SFTDATJTSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001460734723 1063029488 /nfs/dbraw/zinc/02/94/88/1063029488.db2.gz WEJMJQYGKIJLAZ-SFTDATJTSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001460734723 1063029508 /nfs/dbraw/zinc/02/95/08/1063029508.db2.gz WEJMJQYGKIJLAZ-SFTDATJTSA-N 2 2 308.469 4.071 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001257219968 1063147244 /nfs/dbraw/zinc/14/72/44/1063147244.db2.gz LVCIMKAIMIJNBN-IBGZPJMESA-N 2 2 304.453 4.226 20 0 DIADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001257219968 1063147257 /nfs/dbraw/zinc/14/72/57/1063147257.db2.gz LVCIMKAIMIJNBN-IBGZPJMESA-N 2 2 304.453 4.226 20 0 DIADLP CCC[N@H+](C/C=C\Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460942166 1063149474 /nfs/dbraw/zinc/14/94/74/1063149474.db2.gz YGFAMQAXVHNXHT-WDZFZDKYSA-N 2 2 306.881 4.116 20 0 DIADLP CCC[N@@H+](C/C=C\Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460942166 1063149485 /nfs/dbraw/zinc/14/94/85/1063149485.db2.gz YGFAMQAXVHNXHT-WDZFZDKYSA-N 2 2 306.881 4.116 20 0 DIADLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001257249896 1063156383 /nfs/dbraw/zinc/15/63/83/1063156383.db2.gz DIBULBGKGFUPDR-KRWDZBQOSA-N 2 2 306.469 4.267 20 0 DIADLP CCC(CC)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001257299688 1063190020 /nfs/dbraw/zinc/19/00/20/1063190020.db2.gz MLVDTYZFOJPZNL-UHFFFAOYSA-N 2 2 309.413 4.182 20 0 DIADLP CCCC(CCC)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257329198 1063210577 /nfs/dbraw/zinc/21/05/77/1063210577.db2.gz VAPCUBRQNGCXAI-UHFFFAOYSA-N 2 2 318.505 4.218 20 0 DIADLP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001257358379 1063227347 /nfs/dbraw/zinc/22/73/47/1063227347.db2.gz ZYSSGDMWSQHPGV-QGZVFWFLSA-N 2 2 318.505 4.305 20 0 DIADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001461088503 1063244008 /nfs/dbraw/zinc/24/40/08/1063244008.db2.gz XRLRGDSCWZERBA-MRXNPFEDSA-N 2 2 317.477 4.287 20 0 DIADLP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC001461146000 1063293296 /nfs/dbraw/zinc/29/32/96/1063293296.db2.gz FPJZULSIKGCYRP-ZWKOTPCHSA-N 2 2 303.494 4.468 20 0 DIADLP CC(C)C1CCC(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC001461152797 1063296353 /nfs/dbraw/zinc/29/63/53/1063296353.db2.gz WNWCQBPKHNVJMZ-UHFFFAOYSA-N 2 2 303.494 4.326 20 0 DIADLP CCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511310 1063317822 /nfs/dbraw/zinc/31/78/22/1063317822.db2.gz CFTZLALYXXOQIQ-BBWFWOEESA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511310 1063317839 /nfs/dbraw/zinc/31/78/39/1063317839.db2.gz CFTZLALYXXOQIQ-BBWFWOEESA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257511310 1063317854 /nfs/dbraw/zinc/31/78/54/1063317854.db2.gz CFTZLALYXXOQIQ-BBWFWOEESA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257511310 1063317869 /nfs/dbraw/zinc/31/78/69/1063317869.db2.gz CFTZLALYXXOQIQ-BBWFWOEESA-N 2 2 321.534 4.008 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)CCc1c[nH+]cn1C ZINC001473144730 1063448947 /nfs/dbraw/zinc/44/89/47/1063448947.db2.gz NHOPWVRMWHHSJN-IBGZPJMESA-N 2 2 313.489 4.086 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CCc1c[nH+]cn1C ZINC001473144730 1063448954 /nfs/dbraw/zinc/44/89/54/1063448954.db2.gz NHOPWVRMWHHSJN-IBGZPJMESA-N 2 2 313.489 4.086 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccccc2)c(C)c1 ZINC001461370142 1063453187 /nfs/dbraw/zinc/45/31/87/1063453187.db2.gz PMLIUSPQTGNQNX-HXUWFJFHSA-N 2 2 305.425 4.031 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC001258003096 1063458001 /nfs/dbraw/zinc/45/80/01/1063458001.db2.gz ZOHBAUGJLNNFEZ-UHFFFAOYSA-N 2 2 306.881 4.039 20 0 DIADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC001258017563 1063468186 /nfs/dbraw/zinc/46/81/86/1063468186.db2.gz MGZSXGAUZKTOMG-LJQANCHMSA-N 2 2 322.443 4.222 20 0 DIADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC001258017563 1063468193 /nfs/dbraw/zinc/46/81/93/1063468193.db2.gz MGZSXGAUZKTOMG-LJQANCHMSA-N 2 2 322.443 4.222 20 0 DIADLP CCC[C@@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001461465323 1063525780 /nfs/dbraw/zinc/52/57/80/1063525780.db2.gz RQXNZEPHMLYJRH-IBGZPJMESA-N 2 2 302.506 4.282 20 0 DIADLP CCC[C@@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001461465323 1063525799 /nfs/dbraw/zinc/52/57/99/1063525799.db2.gz RQXNZEPHMLYJRH-IBGZPJMESA-N 2 2 302.506 4.282 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301769 1063599049 /nfs/dbraw/zinc/59/90/49/1063599049.db2.gz IKDRFAVECOCOJI-HZPDHXFCSA-N 2 2 324.534 4.142 20 0 DIADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301769 1063599056 /nfs/dbraw/zinc/59/90/56/1063599056.db2.gz IKDRFAVECOCOJI-HZPDHXFCSA-N 2 2 324.534 4.142 20 0 DIADLP CCCCC(CCCC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001258380615 1063624572 /nfs/dbraw/zinc/62/45/72/1063624572.db2.gz LEPFXMZDSNIQOA-UHFFFAOYSA-N 2 2 303.494 4.389 20 0 DIADLP CCCCC[C@@H](CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258438547 1063653143 /nfs/dbraw/zinc/65/31/43/1063653143.db2.gz NVCKZNWKAJRJAB-GOSISDBHSA-N 2 2 303.494 4.247 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001461683784 1063655957 /nfs/dbraw/zinc/65/59/57/1063655957.db2.gz QZUQXLODAAYBGW-LBKOFNPBSA-N 2 2 318.892 4.350 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001461683784 1063655963 /nfs/dbraw/zinc/65/59/63/1063655963.db2.gz QZUQXLODAAYBGW-LBKOFNPBSA-N 2 2 318.892 4.350 20 0 DIADLP CC(C)(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccccc1 ZINC001461697784 1063664757 /nfs/dbraw/zinc/66/47/57/1063664757.db2.gz BMNHPSFYQWBIJK-FQEVSTJZSA-N 2 2 314.517 4.351 20 0 DIADLP CC(C)(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1 ZINC001461697784 1063664746 /nfs/dbraw/zinc/66/47/46/1063664746.db2.gz BMNHPSFYQWBIJK-FQEVSTJZSA-N 2 2 314.517 4.351 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC001258599331 1063701513 /nfs/dbraw/zinc/70/15/13/1063701513.db2.gz YUPUYYHPEQLCLK-LJQANCHMSA-N 2 2 318.480 4.267 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC001258599016 1063703031 /nfs/dbraw/zinc/70/30/31/1063703031.db2.gz PPLUSTZERMXPTP-GOSISDBHSA-N 2 2 318.480 4.267 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841710 1063745093 /nfs/dbraw/zinc/74/50/93/1063745093.db2.gz HKXLRQRFFNDABS-MRXNPFEDSA-N 2 2 306.494 4.049 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841710 1063745098 /nfs/dbraw/zinc/74/50/98/1063745098.db2.gz HKXLRQRFFNDABS-MRXNPFEDSA-N 2 2 306.494 4.049 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841710 1063745107 /nfs/dbraw/zinc/74/51/07/1063745107.db2.gz HKXLRQRFFNDABS-MRXNPFEDSA-N 2 2 306.494 4.049 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841710 1063745118 /nfs/dbraw/zinc/74/51/18/1063745118.db2.gz HKXLRQRFFNDABS-MRXNPFEDSA-N 2 2 306.494 4.049 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC001258814699 1063844734 /nfs/dbraw/zinc/84/47/34/1063844734.db2.gz QFQZTZYWZHATQJ-QRWLVFNGSA-N 2 2 318.480 4.267 20 0 DIADLP c1c2ccccc2oc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000571038327 1063950459 /nfs/dbraw/zinc/95/04/59/1063950459.db2.gz JKAPGLYXCMQNMN-IEBWSBKVSA-N 2 2 306.409 4.016 20 0 DIADLP C[C@H]1CCC[C@@H](C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471310 1064074976 /nfs/dbraw/zinc/07/49/76/1064074976.db2.gz TYVWEXAISYKAHB-AZUAARDMSA-N 2 2 314.517 4.457 20 0 DIADLP C[C@H]1CCC[C@@H](C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471310 1064074984 /nfs/dbraw/zinc/07/49/84/1064074984.db2.gz TYVWEXAISYKAHB-AZUAARDMSA-N 2 2 314.517 4.457 20 0 DIADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345347 1064395875 /nfs/dbraw/zinc/39/58/75/1064395875.db2.gz AGTYWYHDRKTMIY-HXUWFJFHSA-N 2 2 316.464 4.011 20 0 DIADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345347 1064395887 /nfs/dbraw/zinc/39/58/87/1064395887.db2.gz AGTYWYHDRKTMIY-HXUWFJFHSA-N 2 2 316.464 4.011 20 0 DIADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345347 1064395895 /nfs/dbraw/zinc/39/58/95/1064395895.db2.gz AGTYWYHDRKTMIY-HXUWFJFHSA-N 2 2 316.464 4.011 20 0 DIADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001280345347 1064395908 /nfs/dbraw/zinc/39/59/08/1064395908.db2.gz AGTYWYHDRKTMIY-HXUWFJFHSA-N 2 2 316.464 4.011 20 0 DIADLP CC(C)C[C@@H](CNc1cc(C(C)C)[nH+]c(C(C)C)n1)[NH+](C)C ZINC001306924038 1064719992 /nfs/dbraw/zinc/71/99/92/1064719992.db2.gz MAEPCLQJNQNFOS-HNNXBMFYSA-N 2 2 306.498 4.112 20 0 DIADLP CC(C)c1cc(NCC(C)(C)C[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001307108860 1065267181 /nfs/dbraw/zinc/26/71/81/1065267181.db2.gz BGJHQQHRCRYOJO-UHFFFAOYSA-N 2 2 318.509 4.257 20 0 DIADLP CCc1cc(NCCC[N@@H+](CC)C2CCCCC2)nc(CC)[nH+]1 ZINC001307159384 1065288604 /nfs/dbraw/zinc/28/86/04/1065288604.db2.gz YJFFFKBKVJCNMH-UHFFFAOYSA-N 2 2 318.509 4.058 20 0 DIADLP CCc1cc(NCCC[N@H+](CC)C2CCCCC2)nc(CC)[nH+]1 ZINC001307159384 1065288617 /nfs/dbraw/zinc/28/86/17/1065288617.db2.gz YJFFFKBKVJCNMH-UHFFFAOYSA-N 2 2 318.509 4.058 20 0 DIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)Cc1ccccc1F ZINC001307438713 1065400822 /nfs/dbraw/zinc/40/08/22/1065400822.db2.gz NBJTXVJYBXAIFM-UHFFFAOYSA-N 2 2 323.415 4.342 20 0 DIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)Cc1ccccc1F ZINC001307438713 1065400825 /nfs/dbraw/zinc/40/08/25/1065400825.db2.gz NBJTXVJYBXAIFM-UHFFFAOYSA-N 2 2 323.415 4.342 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001307982898 1065711309 /nfs/dbraw/zinc/71/13/09/1065711309.db2.gz UAWXODLFSHXNHK-GOSISDBHSA-N 2 2 318.892 4.278 20 0 DIADLP Cc1cc(C)c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC001308033071 1065733001 /nfs/dbraw/zinc/73/30/01/1065733001.db2.gz KDASTGQVOLIWST-OAQYLSRUSA-N 2 2 319.452 4.339 20 0 DIADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC001308053460 1065741001 /nfs/dbraw/zinc/74/10/01/1065741001.db2.gz SPJUEOYDFJLMHQ-MOPGFXCFSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC001308053460 1065741006 /nfs/dbraw/zinc/74/10/06/1065741006.db2.gz SPJUEOYDFJLMHQ-MOPGFXCFSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC001308053460 1065741013 /nfs/dbraw/zinc/74/10/13/1065741013.db2.gz SPJUEOYDFJLMHQ-MOPGFXCFSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC001308053460 1065741021 /nfs/dbraw/zinc/74/10/21/1065741021.db2.gz SPJUEOYDFJLMHQ-MOPGFXCFSA-N 2 2 300.490 4.043 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC001308164295 1065787936 /nfs/dbraw/zinc/78/79/36/1065787936.db2.gz BQXHYFWQPKBEBH-OHTSDLOESA-N 2 2 315.505 4.398 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC001308164295 1065787950 /nfs/dbraw/zinc/78/79/50/1065787950.db2.gz BQXHYFWQPKBEBH-OHTSDLOESA-N 2 2 315.505 4.398 20 0 DIADLP c1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[NH+]2CCCC2)cc1 ZINC001308181869 1065793800 /nfs/dbraw/zinc/79/38/00/1065793800.db2.gz BXPDVTFNYWVBBI-JOCHJYFZSA-N 2 2 320.480 4.102 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC001308182233 1065793834 /nfs/dbraw/zinc/79/38/34/1065793834.db2.gz IWHKWNKZBFKQOG-FKBYEOEOSA-N 2 2 322.496 4.463 20 0 DIADLP Cc1ccsc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001308413906 1065972167 /nfs/dbraw/zinc/97/21/67/1065972167.db2.gz FVPZFKTVOCXTFS-UHFFFAOYSA-N 2 2 317.845 4.185 20 0 DIADLP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001308466962 1066007505 /nfs/dbraw/zinc/00/75/05/1066007505.db2.gz RMHHISHAKWBOJI-HXUWFJFHSA-N 2 2 308.469 4.336 20 0 DIADLP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001308466962 1066007513 /nfs/dbraw/zinc/00/75/13/1066007513.db2.gz RMHHISHAKWBOJI-HXUWFJFHSA-N 2 2 308.469 4.336 20 0 DIADLP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001308466961 1066008500 /nfs/dbraw/zinc/00/85/00/1066008500.db2.gz RMHHISHAKWBOJI-FQEVSTJZSA-N 2 2 308.469 4.336 20 0 DIADLP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001308466961 1066008509 /nfs/dbraw/zinc/00/85/09/1066008509.db2.gz RMHHISHAKWBOJI-FQEVSTJZSA-N 2 2 308.469 4.336 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC001308548485 1066062556 /nfs/dbraw/zinc/06/25/56/1066062556.db2.gz VYHGWCGVJCOKRX-IHPCNDPISA-N 2 2 314.517 4.280 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C[C@@H](c2ccccc2)C1 ZINC001308548485 1066062564 /nfs/dbraw/zinc/06/25/64/1066062564.db2.gz VYHGWCGVJCOKRX-IHPCNDPISA-N 2 2 314.517 4.280 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589333 1066103626 /nfs/dbraw/zinc/10/36/26/1066103626.db2.gz MYJPEOLONNAOOO-MSOLQXFVSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589333 1066103628 /nfs/dbraw/zinc/10/36/28/1066103628.db2.gz MYJPEOLONNAOOO-MSOLQXFVSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589333 1066103633 /nfs/dbraw/zinc/10/36/33/1066103633.db2.gz MYJPEOLONNAOOO-MSOLQXFVSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(F)c1 ZINC001308589333 1066103637 /nfs/dbraw/zinc/10/36/37/1066103637.db2.gz MYJPEOLONNAOOO-MSOLQXFVSA-N 2 2 318.480 4.221 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001308593212 1066104624 /nfs/dbraw/zinc/10/46/24/1066104624.db2.gz GNSBCDSHTIRLAF-INIZCTEOSA-N 2 2 306.494 4.049 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001308593212 1066104627 /nfs/dbraw/zinc/10/46/27/1066104627.db2.gz GNSBCDSHTIRLAF-INIZCTEOSA-N 2 2 306.494 4.049 20 0 DIADLP CCCc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC001308731267 1066206009 /nfs/dbraw/zinc/20/60/09/1066206009.db2.gz ICKNJUNFKAJFTE-UHFFFAOYSA-N 2 2 324.468 4.386 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001308730336 1066207503 /nfs/dbraw/zinc/20/75/03/1066207503.db2.gz BYKBPNMSMZUJDE-UHFFFAOYSA-N 2 2 322.452 4.311 20 0 DIADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001308736915 1066211486 /nfs/dbraw/zinc/21/14/86/1066211486.db2.gz AUDMOMAEZUYWRY-QAPCUYQASA-N 2 2 320.546 4.050 20 0 DIADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001308736915 1066211493 /nfs/dbraw/zinc/21/14/93/1066211493.db2.gz AUDMOMAEZUYWRY-QAPCUYQASA-N 2 2 320.546 4.050 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)[NH+](CC)CC)cc1 ZINC001308791544 1066266968 /nfs/dbraw/zinc/26/69/68/1066266968.db2.gz DEVQVWKJYMNNBX-WBAXXEDZSA-N 2 2 324.459 4.265 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877261 1066356101 /nfs/dbraw/zinc/35/61/01/1066356101.db2.gz ITIRBBJVMGAPDA-UHOSZYNNSA-N 2 2 320.908 4.440 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877261 1066356117 /nfs/dbraw/zinc/35/61/17/1066356117.db2.gz ITIRBBJVMGAPDA-UHOSZYNNSA-N 2 2 320.908 4.440 20 0 DIADLP C[C@@H](CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001308916240 1066394324 /nfs/dbraw/zinc/39/43/24/1066394324.db2.gz VFYFALUWMOBKBD-RXVVDRJESA-N 2 2 319.452 4.408 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308916334 1066395041 /nfs/dbraw/zinc/39/50/41/1066395041.db2.gz WEARZDUEBMXUNM-RLLQIKCJSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001308967041 1066423829 /nfs/dbraw/zinc/42/38/29/1066423829.db2.gz IRHKHPKLIIAJTF-PGRDOPGGSA-N 2 2 322.496 4.359 20 0 DIADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001308967041 1066423836 /nfs/dbraw/zinc/42/38/36/1066423836.db2.gz IRHKHPKLIIAJTF-PGRDOPGGSA-N 2 2 322.496 4.359 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000090667638 185308910 /nfs/dbraw/zinc/30/89/10/185308910.db2.gz FRPMVGZWRDPKOR-ULQDDVLXSA-N 2 2 315.505 4.021 20 0 DIADLP c1cn(C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)c[nH+]1 ZINC000092659194 185332199 /nfs/dbraw/zinc/33/21/99/185332199.db2.gz KACDXGVCQMKJRZ-UHFFFAOYSA-N 2 2 323.465 4.449 20 0 DIADLP CC(C)CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccoc1 ZINC000285737184 131197993 /nfs/dbraw/zinc/19/79/93/131197993.db2.gz QYDBQHZZHMSBKD-GOSISDBHSA-N 2 2 324.428 4.127 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc(C3CC3)c1)CCC2 ZINC000340251187 131273787 /nfs/dbraw/zinc/27/37/87/131273787.db2.gz HTQLXUSNFORHKB-KXBFYZLASA-N 2 2 309.457 4.297 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000289290065 131371889 /nfs/dbraw/zinc/37/18/89/131371889.db2.gz RBWJKIFSSXYAAX-IERDGZPVSA-N 2 2 317.436 4.270 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120789068 132150867 /nfs/dbraw/zinc/15/08/67/132150867.db2.gz PKQMFDYGAVYRGE-KDOFPFPSSA-N 2 2 307.397 4.194 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000121358119 132154061 /nfs/dbraw/zinc/15/40/61/132154061.db2.gz SCBQATABWXRJET-AWEZNQCLSA-N 2 2 315.848 4.055 20 0 DIADLP Cc1ccc(C2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c[nH+]1 ZINC000340778800 132187492 /nfs/dbraw/zinc/18/74/92/132187492.db2.gz LYHHDEJDERVPBG-UHFFFAOYSA-N 2 2 321.399 4.461 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](CNc1[nH+]c3ccccc3cc1C)CCC2 ZINC000533560907 435246358 /nfs/dbraw/zinc/24/63/58/435246358.db2.gz MCKSBPLCNVHZNQ-MRXNPFEDSA-N 2 2 306.413 4.038 20 0 DIADLP CCc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc[nH+]1 ZINC000603386199 435335476 /nfs/dbraw/zinc/33/54/76/435335476.db2.gz LEICOJKJBPWERM-UHFFFAOYSA-N 2 2 324.472 4.027 20 0 DIADLP Clc1ccc([C@H]2CCCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000556519275 331713964 /nfs/dbraw/zinc/71/39/64/331713964.db2.gz LPTHGFPHHYUASY-QZTJIDSGSA-N 2 2 317.864 4.243 20 0 DIADLP CCC1CC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000556590426 331718821 /nfs/dbraw/zinc/71/88/21/331718821.db2.gz XVQXWRGMLUBVHW-UHFFFAOYSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(Cl)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000557827191 331819477 /nfs/dbraw/zinc/81/94/77/331819477.db2.gz KMSFTWUKCSCXIR-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000558257591 331889965 /nfs/dbraw/zinc/88/99/65/331889965.db2.gz KPNQQUIUXQAXFI-ATZDWAIDSA-N 2 2 315.505 4.021 20 0 DIADLP CCO[C@H]1C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCCCC2 ZINC000558404279 331903128 /nfs/dbraw/zinc/90/31/28/331903128.db2.gz FAJOLAVMSRPZJW-OALUTQOASA-N 2 2 316.489 4.040 20 0 DIADLP CC[C@H](c1ccccc1OC)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000518258581 332002388 /nfs/dbraw/zinc/00/23/88/332002388.db2.gz NLDINZLWXCQCTE-LJQANCHMSA-N 2 2 312.457 4.414 20 0 DIADLP CC[C@H](c1ccccc1OC)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000518258581 332002391 /nfs/dbraw/zinc/00/23/91/332002391.db2.gz NLDINZLWXCQCTE-LJQANCHMSA-N 2 2 312.457 4.414 20 0 DIADLP CC(C)C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccs1 ZINC000152792687 332017282 /nfs/dbraw/zinc/01/72/82/332017282.db2.gz PYGGXCGXHGNHBG-INIZCTEOSA-N 2 2 317.502 4.200 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C[N@@H+]1C1CC1 ZINC000129756806 332020536 /nfs/dbraw/zinc/02/05/36/332020536.db2.gz RBDWQJFRGKAXSK-PVXIVEMSSA-N 2 2 322.905 4.092 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C[N@H+]1C1CC1 ZINC000129756806 332020538 /nfs/dbraw/zinc/02/05/38/332020538.db2.gz RBDWQJFRGKAXSK-PVXIVEMSSA-N 2 2 322.905 4.092 20 0 DIADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000569410962 332078029 /nfs/dbraw/zinc/07/80/29/332078029.db2.gz PHQCTEGXKMJJOY-QFBILLFUSA-N 2 2 311.473 4.236 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000091671108 332110172 /nfs/dbraw/zinc/11/01/72/332110172.db2.gz RZESNKLKEQSXCW-UHFFFAOYSA-N 2 2 318.848 4.126 20 0 DIADLP COc1cccc(Cl)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000317760887 332171280 /nfs/dbraw/zinc/17/12/80/332171280.db2.gz RISYRQJUIXNLBU-UHFFFAOYSA-N 2 2 324.896 4.093 20 0 DIADLP COc1cccc(Cl)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000317760887 332171281 /nfs/dbraw/zinc/17/12/81/332171281.db2.gz RISYRQJUIXNLBU-UHFFFAOYSA-N 2 2 324.896 4.093 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000368037964 332202106 /nfs/dbraw/zinc/20/21/06/332202106.db2.gz OBHLGFKIPRLDRI-IUDNXUCKSA-N 2 2 320.443 4.064 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000559722576 332278119 /nfs/dbraw/zinc/27/81/19/332278119.db2.gz XXKPDWAMMVNKAC-MJGOQNOKSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000559722576 332278121 /nfs/dbraw/zinc/27/81/21/332278121.db2.gz XXKPDWAMMVNKAC-MJGOQNOKSA-N 2 2 314.860 4.265 20 0 DIADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCn1cc[nH+]c1 ZINC000559893306 332290388 /nfs/dbraw/zinc/29/03/88/332290388.db2.gz AENPPYSQPKAAHF-MRXNPFEDSA-N 2 2 324.472 4.101 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000560389177 332336374 /nfs/dbraw/zinc/33/63/74/332336374.db2.gz VTFCGOQSAFSWPM-RYUDHWBXSA-N 2 2 324.255 4.277 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000560389177 332336376 /nfs/dbraw/zinc/33/63/76/332336376.db2.gz VTFCGOQSAFSWPM-RYUDHWBXSA-N 2 2 324.255 4.277 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000181738896 332439422 /nfs/dbraw/zinc/43/94/22/332439422.db2.gz GNELAYMSNFSWET-MOPGFXCFSA-N 2 2 311.473 4.032 20 0 DIADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000427691367 332488581 /nfs/dbraw/zinc/48/85/81/332488581.db2.gz UHHPKBGISLVLMO-IBGZPJMESA-N 2 2 311.473 4.131 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2cccs2)cc1 ZINC000151113568 332520620 /nfs/dbraw/zinc/52/06/20/332520620.db2.gz NKHJXNIKHBCOAC-OAHLLOKOSA-N 2 2 311.454 4.353 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000561954112 332520628 /nfs/dbraw/zinc/52/06/28/332520628.db2.gz BYFXINGZTCJLLD-UHFFFAOYSA-N 2 2 300.421 4.029 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000562078582 332543085 /nfs/dbraw/zinc/54/30/85/332543085.db2.gz NKAVMXBEGNPXDA-UHFFFAOYSA-N 2 2 320.424 4.119 20 0 DIADLP C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000151658437 332600029 /nfs/dbraw/zinc/60/00/29/332600029.db2.gz UKFKZBILURTGQF-GJZGRUSLSA-N 2 2 309.388 4.423 20 0 DIADLP C[C@@H](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000378872484 333058142 /nfs/dbraw/zinc/05/81/42/333058142.db2.gz RGDPDGDTUIBPPP-KRWDZBQOSA-N 2 2 305.425 4.156 20 0 DIADLP COc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(Cl)c1 ZINC000518772604 333087571 /nfs/dbraw/zinc/08/75/71/333087571.db2.gz OXFJMALFYJBOIR-UHFFFAOYSA-N 2 2 324.896 4.093 20 0 DIADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(Cl)c1 ZINC000518772604 333087572 /nfs/dbraw/zinc/08/75/72/333087572.db2.gz OXFJMALFYJBOIR-UHFFFAOYSA-N 2 2 324.896 4.093 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000518775923 333128583 /nfs/dbraw/zinc/12/85/83/333128583.db2.gz IVLBMXPOUYXQEY-LPHOPBHVSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000518775923 333128584 /nfs/dbraw/zinc/12/85/84/333128584.db2.gz IVLBMXPOUYXQEY-LPHOPBHVSA-N 2 2 312.432 4.059 20 0 DIADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)c(C)c1 ZINC000188792624 333159983 /nfs/dbraw/zinc/15/99/83/333159983.db2.gz OGRFZMFBYCWZEB-UHFFFAOYSA-N 2 2 323.440 4.030 20 0 DIADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000019231999 333206872 /nfs/dbraw/zinc/20/68/72/333206872.db2.gz CWFPONHXVXULBY-LBPRGKRZSA-N 2 2 301.261 4.130 20 0 DIADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1cccc(F)c1 ZINC000323470488 333339394 /nfs/dbraw/zinc/33/93/94/333339394.db2.gz XLVGNPRFBHEDQM-KRWDZBQOSA-N 2 2 311.404 4.225 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531340079 333344874 /nfs/dbraw/zinc/34/48/74/333344874.db2.gz VBISTHDYLZOJKR-GOEBONIOSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531340079 333344876 /nfs/dbraw/zinc/34/48/76/333344876.db2.gz VBISTHDYLZOJKR-GOEBONIOSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531340079 333344877 /nfs/dbraw/zinc/34/48/77/333344877.db2.gz VBISTHDYLZOJKR-GOEBONIOSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531340079 333344878 /nfs/dbraw/zinc/34/48/78/333344878.db2.gz VBISTHDYLZOJKR-GOEBONIOSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000221831620 333368663 /nfs/dbraw/zinc/36/86/63/333368663.db2.gz DBIBIQLQXBXATN-GFCCVEGCSA-N 2 2 301.261 4.130 20 0 DIADLP Cc1cc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)s1 ZINC000121344241 333385769 /nfs/dbraw/zinc/38/57/69/333385769.db2.gz HEAHVTUYIFCJQN-AWEZNQCLSA-N 2 2 315.486 4.080 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390911007 333405179 /nfs/dbraw/zinc/40/51/79/333405179.db2.gz OSWYGOVOCJLKPW-HOCLYGCPSA-N 2 2 319.399 4.348 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390911009 333405181 /nfs/dbraw/zinc/40/51/81/333405181.db2.gz OSWYGOVOCJLKPW-ZBFHGGJFSA-N 2 2 319.399 4.348 20 0 DIADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cccs1 ZINC000021787801 333451874 /nfs/dbraw/zinc/45/18/74/333451874.db2.gz HJWXPRYEVOIWHG-DOTOQJQBSA-N 2 2 300.471 4.236 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccs1 ZINC000021787805 333451932 /nfs/dbraw/zinc/45/19/32/333451932.db2.gz HJWXPRYEVOIWHG-WBVHZDCISA-N 2 2 300.471 4.236 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000531718370 333550384 /nfs/dbraw/zinc/55/03/84/333550384.db2.gz WRTMVYGJCCDJBO-RDJZCZTQSA-N 2 2 318.505 4.052 20 0 DIADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000152216662 333645602 /nfs/dbraw/zinc/64/56/02/333645602.db2.gz STXKYOGVYHETNC-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCCn1cc[nH+]c1 ZINC000571083367 333658978 /nfs/dbraw/zinc/65/89/78/333658978.db2.gz DSCPUENHBNWYEF-LJQANCHMSA-N 2 2 322.456 4.120 20 0 DIADLP Clc1cccc([C@H]2CCC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414047459 333887659 /nfs/dbraw/zinc/88/76/59/333887659.db2.gz BXNWFPZOXPERIB-FUHWJXTLSA-N 2 2 317.864 4.243 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000414106438 333897198 /nfs/dbraw/zinc/89/71/98/333897198.db2.gz QXSMTSWVKDYZRK-MNEFBYGVSA-N 2 2 315.505 4.021 20 0 DIADLP Cn1c[nH+]c(CC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)c1 ZINC000414125867 333899034 /nfs/dbraw/zinc/89/90/34/333899034.db2.gz NFLAASHPOQRWHD-GOSISDBHSA-N 2 2 311.429 4.086 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000343474249 335168150 /nfs/dbraw/zinc/16/81/50/335168150.db2.gz IRRISIIRTCJVQX-YWZLYKJASA-N 2 2 303.409 4.210 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000343474247 335168169 /nfs/dbraw/zinc/16/81/69/335168169.db2.gz IRRISIIRTCJVQX-QRWLVFNGSA-N 2 2 303.409 4.210 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCc3sccc32)c[nH+]1 ZINC000268778331 333993705 /nfs/dbraw/zinc/99/37/05/333993705.db2.gz SGGSYYZTVPWWQE-SFHVURJKSA-N 2 2 323.465 4.160 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000343507567 335172705 /nfs/dbraw/zinc/17/27/05/335172705.db2.gz IPMWKRMNJLWXSF-HRAATJIYSA-N 2 2 317.436 4.270 20 0 DIADLP C[C@@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000414840513 334112053 /nfs/dbraw/zinc/11/20/53/334112053.db2.gz XEILEYJHDXBPED-GUYCJALGSA-N 2 2 322.374 4.099 20 0 DIADLP CC(C)(C)C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000343563970 335178224 /nfs/dbraw/zinc/17/82/24/335178224.db2.gz NCTIJDQUUIWYKC-QGZVFWFLSA-N 2 2 303.425 4.179 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCCC13CCCC3)CCC2 ZINC000340251927 334157288 /nfs/dbraw/zinc/15/72/88/334157288.db2.gz JAULDIMDYSJOJJ-IAGOWNOFSA-N 2 2 301.478 4.162 20 0 DIADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940177 334202091 /nfs/dbraw/zinc/20/20/91/334202091.db2.gz JYSXARNIGGNHOM-WBMJQRKESA-N 2 2 310.363 4.160 20 0 DIADLP Clc1scc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000415041922 334260901 /nfs/dbraw/zinc/26/09/01/334260901.db2.gz LWNLPFLDRSBAAM-ZYHUDNBSSA-N 2 2 319.301 4.019 20 0 DIADLP Clc1scc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Cl ZINC000415041922 334260902 /nfs/dbraw/zinc/26/09/02/334260902.db2.gz LWNLPFLDRSBAAM-ZYHUDNBSSA-N 2 2 319.301 4.019 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000534472096 334270624 /nfs/dbraw/zinc/27/06/24/334270624.db2.gz GSORSHRGJTYCJG-QGZVFWFLSA-N 2 2 323.415 4.148 20 0 DIADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415107381 334281194 /nfs/dbraw/zinc/28/11/94/334281194.db2.gz JCUPASKHJHSMST-ILZDJORESA-N 2 2 324.468 4.148 20 0 DIADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c2ccccc12 ZINC000531938606 334299391 /nfs/dbraw/zinc/29/93/91/334299391.db2.gz ADQUOFABXUWGNS-INIZCTEOSA-N 2 2 323.440 4.176 20 0 DIADLP CC(C)c1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000531941823 334301724 /nfs/dbraw/zinc/30/17/24/334301724.db2.gz CQNHCSVOMRRNEP-INIZCTEOSA-N 2 2 307.441 4.351 20 0 DIADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc2ccccc21 ZINC000531942035 334302104 /nfs/dbraw/zinc/30/21/04/334302104.db2.gz NPZDHAICOMFZFP-MRXNPFEDSA-N 2 2 315.420 4.381 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1)CCC2 ZINC000534647433 334316292 /nfs/dbraw/zinc/31/62/92/334316292.db2.gz DHPSXZNMLJUBAH-SPUZQDLCSA-N 2 2 303.494 4.119 20 0 DIADLP Clc1cccc2c1CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000531965052 334319683 /nfs/dbraw/zinc/31/96/83/334319683.db2.gz SXIHTPPETPEENY-KRWDZBQOSA-N 2 2 315.848 4.204 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000534954349 334352521 /nfs/dbraw/zinc/35/25/21/334352521.db2.gz MKHCEGXAIQALTO-LJQANCHMSA-N 2 2 311.473 4.326 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000534954349 334352522 /nfs/dbraw/zinc/35/25/22/334352522.db2.gz MKHCEGXAIQALTO-LJQANCHMSA-N 2 2 311.473 4.326 20 0 DIADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccsc1 ZINC000050338514 334382130 /nfs/dbraw/zinc/38/21/30/334382130.db2.gz BEVCOLPRRKBSPX-YJBOKZPZSA-N 2 2 300.471 4.236 20 0 DIADLP Cc1cc(F)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000343761806 335191364 /nfs/dbraw/zinc/19/13/64/335191364.db2.gz UESLDBYXYBELGW-UHFFFAOYSA-N 2 2 315.436 4.023 20 0 DIADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc(Cl)c1 ZINC000343971929 335208985 /nfs/dbraw/zinc/20/89/85/335208985.db2.gz FBCBKYCKAOUQOF-NVXWUHKLSA-N 2 2 317.864 4.463 20 0 DIADLP c1c(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)[nH+]c2ccccn12 ZINC000344033716 335210877 /nfs/dbraw/zinc/21/08/77/335210877.db2.gz MAGAWLCXABBEFZ-FQEVSTJZSA-N 2 2 319.452 4.398 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000344174426 335227604 /nfs/dbraw/zinc/22/76/04/335227604.db2.gz QXHJMQKGAARXAP-SFHVURJKSA-N 2 2 313.420 4.080 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc3ccccc13)CCC2 ZINC000344531721 335255598 /nfs/dbraw/zinc/25/55/98/335255598.db2.gz DURJBSJOHHWQGA-CQSZACIVSA-N 2 2 311.454 4.073 20 0 DIADLP Clc1ccc([C@@H](CC2CC2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000345695275 335342681 /nfs/dbraw/zinc/34/26/81/335342681.db2.gz PCTSVRWVZLKNKZ-QGZVFWFLSA-N 2 2 303.837 4.058 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3C3CCCC3)c2)c[nH+]1 ZINC000346139458 335380552 /nfs/dbraw/zinc/38/05/52/335380552.db2.gz VMMZUAXXAQLXCQ-QGZVFWFLSA-N 2 2 301.459 4.088 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3C3CCCC3)c2)c[nH+]1 ZINC000346139458 335380554 /nfs/dbraw/zinc/38/05/54/335380554.db2.gz VMMZUAXXAQLXCQ-QGZVFWFLSA-N 2 2 301.459 4.088 20 0 DIADLP CC[N@H+](Cc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142890 335380924 /nfs/dbraw/zinc/38/09/24/335380924.db2.gz CYEIUMSMWLWTNR-UHFFFAOYSA-N 2 2 303.456 4.017 20 0 DIADLP CC[N@@H+](Cc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142890 335380926 /nfs/dbraw/zinc/38/09/26/335380926.db2.gz CYEIUMSMWLWTNR-UHFFFAOYSA-N 2 2 303.456 4.017 20 0 DIADLP C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346148165 335381833 /nfs/dbraw/zinc/38/18/33/335381833.db2.gz WEUURQNWEBWLSD-CQSZACIVSA-N 2 2 309.438 4.053 20 0 DIADLP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346148165 335381834 /nfs/dbraw/zinc/38/18/34/335381834.db2.gz WEUURQNWEBWLSD-CQSZACIVSA-N 2 2 309.438 4.053 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346156323 335383029 /nfs/dbraw/zinc/38/30/29/335383029.db2.gz AVNAHNJMHOGSQV-ZDUSSCGKSA-N 2 2 315.417 4.266 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346156323 335383030 /nfs/dbraw/zinc/38/30/30/335383030.db2.gz AVNAHNJMHOGSQV-ZDUSSCGKSA-N 2 2 315.417 4.266 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3c3ccsc3)c2)c[nH+]1 ZINC000346169271 335384589 /nfs/dbraw/zinc/38/45/89/335384589.db2.gz IUICRFVFMJFAPX-INIZCTEOSA-N 2 2 315.467 4.332 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]3c3ccsc3)c2)c[nH+]1 ZINC000346169271 335384591 /nfs/dbraw/zinc/38/45/91/335384591.db2.gz IUICRFVFMJFAPX-INIZCTEOSA-N 2 2 315.467 4.332 20 0 DIADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000366947414 335414733 /nfs/dbraw/zinc/41/47/33/335414733.db2.gz SUXPYGJYDJPRES-INIZCTEOSA-N 2 2 303.837 4.114 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000347650295 335517449 /nfs/dbraw/zinc/51/74/49/335517449.db2.gz JMBCJIVIYHAHIU-UHFFFAOYSA-N 2 2 310.397 4.211 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCNc3ccccc32)[NH+](C)C)cc1 ZINC000347904432 335533081 /nfs/dbraw/zinc/53/30/81/335533081.db2.gz HILGSOBORONJOI-RTWAWAEBSA-N 2 2 323.484 4.134 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349673010 335691008 /nfs/dbraw/zinc/69/10/08/335691008.db2.gz VFLXJPYIHOGHIC-IERDGZPVSA-N 2 2 319.452 4.016 20 0 DIADLP Fc1ccc2oc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2c1 ZINC000349799768 335701236 /nfs/dbraw/zinc/70/12/36/335701236.db2.gz AJSRJBXSIOIHSP-UHFFFAOYSA-N 2 2 316.420 4.022 20 0 DIADLP CCSc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000535989365 335807407 /nfs/dbraw/zinc/80/74/07/335807407.db2.gz VKCPPKWHBBEZTC-HNNXBMFYSA-N 2 2 315.486 4.346 20 0 DIADLP c1csc([C@@H](C[NH2+][C@@H]2CCc3ccccc32)[NH+]2CCCC2)c1 ZINC000532188423 335912820 /nfs/dbraw/zinc/91/28/20/335912820.db2.gz JLDKRDJHFMYNRK-QZTJIDSGSA-N 2 2 312.482 4.162 20 0 DIADLP C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532225292 335920481 /nfs/dbraw/zinc/92/04/81/335920481.db2.gz MAEVLSMEWFHNNG-MRXNPFEDSA-N 2 2 323.415 4.295 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480555890 336031093 /nfs/dbraw/zinc/03/10/93/336031093.db2.gz RLNHQAJUWYPIPG-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480555890 336031094 /nfs/dbraw/zinc/03/10/94/336031094.db2.gz RLNHQAJUWYPIPG-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480555890 336031096 /nfs/dbraw/zinc/03/10/96/336031096.db2.gz RLNHQAJUWYPIPG-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480555890 336031097 /nfs/dbraw/zinc/03/10/97/336031097.db2.gz RLNHQAJUWYPIPG-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000351776194 336068534 /nfs/dbraw/zinc/06/85/34/336068534.db2.gz ZAQXXFZNINANJI-UZLBHIALSA-N 2 2 309.457 4.234 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000351776194 336068536 /nfs/dbraw/zinc/06/85/36/336068536.db2.gz ZAQXXFZNINANJI-UZLBHIALSA-N 2 2 309.457 4.234 20 0 DIADLP CC(C)C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352245244 336206404 /nfs/dbraw/zinc/20/64/04/336206404.db2.gz FPXAHCYRANOBKY-KRWDZBQOSA-N 2 2 317.502 4.082 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629488 336236534 /nfs/dbraw/zinc/23/65/34/336236534.db2.gz UGNUXWHIOXNTGZ-PXNSSMCTSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000324629488 336236535 /nfs/dbraw/zinc/23/65/35/336236535.db2.gz UGNUXWHIOXNTGZ-PXNSSMCTSA-N 2 2 320.480 4.033 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192838201 336265350 /nfs/dbraw/zinc/26/53/50/336265350.db2.gz IPWFFGVCUOHQTG-AWEZNQCLSA-N 2 2 312.457 4.273 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(C)cc2C)CC1 ZINC000325121938 336279422 /nfs/dbraw/zinc/27/94/22/336279422.db2.gz WSKKNQJGUGRVEK-JOCHJYFZSA-N 2 2 322.496 4.467 20 0 DIADLP Clc1cc(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000352856354 336281438 /nfs/dbraw/zinc/28/14/38/336281438.db2.gz GDFRNMWFSDCNLS-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP Cc1cc(NCCCCNc2cccc[nH+]2)c2ccccc2[nH+]1 ZINC000301243873 336296490 /nfs/dbraw/zinc/29/64/90/336296490.db2.gz KMTWMPOPDSJOBH-UHFFFAOYSA-N 2 2 306.413 4.242 20 0 DIADLP c1cn(-c2ccc(CNc3cc[nH+]c4ccsc43)cc2)c[nH+]1 ZINC000301332969 336301022 /nfs/dbraw/zinc/30/10/22/336301022.db2.gz BYSXKMJCWGNHLC-UHFFFAOYSA-N 2 2 306.394 4.094 20 0 DIADLP CCN(CC)c1ccc(CNc2cc[nH+]c3ccsc32)c[nH+]1 ZINC000301366847 336302849 /nfs/dbraw/zinc/30/28/49/336302849.db2.gz NYPGNRQQGLZOIZ-UHFFFAOYSA-N 2 2 312.442 4.150 20 0 DIADLP Clc1c[nH+]ccc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000301493955 336310190 /nfs/dbraw/zinc/31/01/90/336310190.db2.gz AFZSAUJUVFWHHJ-UHFFFAOYSA-N 2 2 316.836 4.123 20 0 DIADLP CC1CC[NH+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301497352 336310513 /nfs/dbraw/zinc/31/05/13/336310513.db2.gz CSOMBOROQRFUHK-UHFFFAOYSA-N 2 2 315.383 4.024 20 0 DIADLP CCc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301786009 336329731 /nfs/dbraw/zinc/32/97/31/336329731.db2.gz LCSJZULLTIWXCP-MGPUTAFESA-N 2 2 320.440 4.081 20 0 DIADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000514118823 336369944 /nfs/dbraw/zinc/36/99/44/336369944.db2.gz NNQKVENDWSZZQJ-CQSZACIVSA-N 2 2 305.491 4.021 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000514118823 336369945 /nfs/dbraw/zinc/36/99/45/336369945.db2.gz NNQKVENDWSZZQJ-CQSZACIVSA-N 2 2 305.491 4.021 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000514633744 336386991 /nfs/dbraw/zinc/38/69/91/336386991.db2.gz LKFKZFLJFFLRCK-UHFFFAOYSA-N 2 2 309.240 4.419 20 0 DIADLP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000563944862 336387982 /nfs/dbraw/zinc/38/79/82/336387982.db2.gz YLHGTPANKICLNT-SFHVURJKSA-N 2 2 319.880 4.174 20 0 DIADLP CSCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000353090836 336400311 /nfs/dbraw/zinc/40/03/11/336400311.db2.gz VUEJXCGIINDCDS-UHFFFAOYSA-N 2 2 323.465 4.025 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(C)c1 ZINC000353494714 336420533 /nfs/dbraw/zinc/42/05/33/336420533.db2.gz DWGFWRDSJHLCCN-IBGZPJMESA-N 2 2 305.425 4.422 20 0 DIADLP CC(C)Sc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000358052485 336608770 /nfs/dbraw/zinc/60/87/70/336608770.db2.gz SWRRZCZKLYITAC-UHFFFAOYSA-N 2 2 315.486 4.221 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000358223173 336617734 /nfs/dbraw/zinc/61/77/34/336617734.db2.gz OZFICWTUDXRNOV-DNVCBOLYSA-N 2 2 305.425 4.105 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccsc2S1 ZINC000359047099 336655148 /nfs/dbraw/zinc/65/51/48/336655148.db2.gz MFYKLZHMMIMKMU-WLIAPVHPSA-N 2 2 322.543 4.280 20 0 DIADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1cccc(Cl)c1F ZINC000359437424 336673036 /nfs/dbraw/zinc/67/30/36/336673036.db2.gz YLBFLGBGLDONFS-INIZCTEOSA-N 2 2 306.812 4.466 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H](C)c3ccc(C4CC4)cc3)c[nH+]c12 ZINC000418115647 336822043 /nfs/dbraw/zinc/82/20/43/336822043.db2.gz POEGWWBFXQPZIW-HNNXBMFYSA-N 2 2 305.425 4.371 20 0 DIADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)c2ccccc21 ZINC000375273220 337007082 /nfs/dbraw/zinc/00/70/82/337007082.db2.gz YLVJALZNHPAUQC-MOPGFXCFSA-N 2 2 309.457 4.194 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000377617525 337056439 /nfs/dbraw/zinc/05/64/39/337056439.db2.gz RYQUWGGIVYOSBE-FQEVSTJZSA-N 2 2 306.409 4.295 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3ccccc31)CCC2 ZINC000377837366 337062218 /nfs/dbraw/zinc/06/22/18/337062218.db2.gz LXXDHDDNTATSKN-GOSISDBHSA-N 2 2 305.425 4.012 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)CCC2 ZINC000377837780 337062301 /nfs/dbraw/zinc/06/23/01/337062301.db2.gz QWMVZTHSDITKED-ZDUSSCGKSA-N 2 2 324.255 4.166 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000377964957 337064519 /nfs/dbraw/zinc/06/45/19/337064519.db2.gz WTRSDKVGTNRACW-GOEBONIOSA-N 2 2 315.486 4.142 20 0 DIADLP C[C@H]([NH2+]CCSc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321006236 337162312 /nfs/dbraw/zinc/16/23/12/337162312.db2.gz OLRXQSGVRMHWDP-INIZCTEOSA-N 2 2 323.465 4.315 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1OCC(C)C ZINC000583051243 337230077 /nfs/dbraw/zinc/23/00/77/337230077.db2.gz GTDALKJFRQIUBL-UHFFFAOYSA-N 2 2 312.457 4.147 20 0 DIADLP Cc1ccccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321695617 337283501 /nfs/dbraw/zinc/28/35/01/337283501.db2.gz KTCRYBUTWXXQKV-QGZVFWFLSA-N 2 2 305.425 4.074 20 0 DIADLP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000584546586 337358397 /nfs/dbraw/zinc/35/83/97/337358397.db2.gz GNDIDAZYPHHGQE-ZDUSSCGKSA-N 2 2 303.837 4.032 20 0 DIADLP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000584546586 337358398 /nfs/dbraw/zinc/35/83/98/337358398.db2.gz GNDIDAZYPHHGQE-ZDUSSCGKSA-N 2 2 303.837 4.032 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)CCc3ccccc3)n2c1 ZINC000532932929 337393832 /nfs/dbraw/zinc/39/38/32/337393832.db2.gz JCINXKUQVGOPNE-UHFFFAOYSA-N 2 2 307.441 4.144 20 0 DIADLP c1cn(Cc2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)c[nH+]1 ZINC000421336291 337527119 /nfs/dbraw/zinc/52/71/19/337527119.db2.gz VZGBCOWMBAQHAA-UHFFFAOYSA-N 2 2 317.436 4.099 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421368017 337532750 /nfs/dbraw/zinc/53/27/50/337532750.db2.gz FPDNLDFJCFHHCY-QGZVFWFLSA-N 2 2 304.384 4.309 20 0 DIADLP CC(C)CC(CC(C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162252998 337610639 /nfs/dbraw/zinc/61/06/39/337610639.db2.gz RKDBTUJLNBASSF-UHFFFAOYSA-N 2 2 317.521 4.096 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1Cl ZINC000421839286 337652856 /nfs/dbraw/zinc/65/28/56/337652856.db2.gz WNDGASLMCPROQT-AWEZNQCLSA-N 2 2 321.896 4.183 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1Cl ZINC000422750966 337685025 /nfs/dbraw/zinc/68/50/25/337685025.db2.gz FCBRLZSSYMGKLG-HKJPBSJPSA-N 2 2 304.796 4.275 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1Cl ZINC000422750974 337685063 /nfs/dbraw/zinc/68/50/63/337685063.db2.gz FCBRLZSSYMGKLG-POJUEXTFSA-N 2 2 304.796 4.275 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OCC2CC2)c1 ZINC000422870654 337689463 /nfs/dbraw/zinc/68/94/63/337689463.db2.gz XULXHIZXROXJHD-PMACEKPBSA-N 2 2 322.452 4.018 20 0 DIADLP C[C@H]([NH2+][C@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422935208 337692179 /nfs/dbraw/zinc/69/21/79/337692179.db2.gz DJBVQKOROLLLRP-NUTKFTJISA-N 2 2 320.889 4.221 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3sc(Cl)cc32)c2ccccc21 ZINC000423118753 337700472 /nfs/dbraw/zinc/70/04/72/337700472.db2.gz AEEMOJQMNZYWSF-HZSPNIEDSA-N 2 2 304.846 4.123 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239916 337706709 /nfs/dbraw/zinc/70/67/09/337706709.db2.gz BVMOZHFCCMEABF-AZUAARDMSA-N 2 2 319.452 4.143 20 0 DIADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423367439 337714926 /nfs/dbraw/zinc/71/49/26/337714926.db2.gz ALLORZWJAGTLOI-HZPDHXFCSA-N 2 2 312.457 4.011 20 0 DIADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423393082 337718629 /nfs/dbraw/zinc/71/86/29/337718629.db2.gz YFIBUHMKDABHDD-ZIAGYGMSSA-N 2 2 317.502 4.076 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H](C)c1ccc(Cl)cc1 ZINC000527229168 337739378 /nfs/dbraw/zinc/73/93/78/337739378.db2.gz YECMWMYLBNZAMR-HUUCEWRRSA-N 2 2 305.853 4.099 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)Cc1ccsc1)[NH+](C)C ZINC000527488877 337745802 /nfs/dbraw/zinc/74/58/02/337745802.db2.gz GHOVCYNGPSPGMV-BXWFABGCSA-N 2 2 316.514 4.269 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000527521118 337748591 /nfs/dbraw/zinc/74/85/91/337748591.db2.gz SIHOAJIRXRRSBA-HZSPNIEDSA-N 2 2 323.893 4.160 20 0 DIADLP Cc1cccc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C(C)C)c1 ZINC000527807616 337765197 /nfs/dbraw/zinc/76/51/97/337765197.db2.gz CIQXFFILUDBZLY-FQEVSTJZSA-N 2 2 320.440 4.063 20 0 DIADLP CCc1ccc([C@H](CC(C)C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000527893493 337772061 /nfs/dbraw/zinc/77/20/61/337772061.db2.gz RCJXIMYEUOEPGU-OALUTQOASA-N 2 2 311.473 4.137 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000424270072 337813832 /nfs/dbraw/zinc/81/38/32/337813832.db2.gz NDLRQQNXEBIQAM-ZDUSSCGKSA-N 2 2 322.880 4.016 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Cl)c1 ZINC000424307331 337818442 /nfs/dbraw/zinc/81/84/42/337818442.db2.gz XJZHEDSCTNSVLV-CYBMUJFWSA-N 2 2 324.896 4.262 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000533179242 337833429 /nfs/dbraw/zinc/83/34/29/337833429.db2.gz CMCHBRPOZMODRL-UHFFFAOYSA-N 2 2 324.399 4.430 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nccs1 ZINC000091725733 337894783 /nfs/dbraw/zinc/89/47/83/337894783.db2.gz LZSSVRRKHAZBJX-GJZGRUSLSA-N 2 2 315.486 4.019 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000537295585 337928931 /nfs/dbraw/zinc/92/89/31/337928931.db2.gz JRPHUUMKCCCFGF-OAHLLOKOSA-N 2 2 311.429 4.241 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000515918724 338001213 /nfs/dbraw/zinc/00/12/13/338001213.db2.gz RRRRCAWYEJPZBN-SFHVURJKSA-N 2 2 323.484 4.274 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc3ccc(C)cc3o1)CCC2 ZINC000426027778 338019835 /nfs/dbraw/zinc/01/98/35/338019835.db2.gz CJJIMWRDSOARCM-NVXWUHKLSA-N 2 2 323.440 4.474 20 0 DIADLP Cc1[nH+]ccn1CCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000428268074 338044854 /nfs/dbraw/zinc/04/48/54/338044854.db2.gz ZBQNUMPKJSJJGJ-UHFFFAOYSA-N 2 2 317.436 4.264 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCC2CCCCC2)C1 ZINC000428273346 338045157 /nfs/dbraw/zinc/04/51/57/338045157.db2.gz ZUAXIQIOHJXDJJ-SFHVURJKSA-N 2 2 303.494 4.035 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000428273346 338045158 /nfs/dbraw/zinc/04/51/58/338045158.db2.gz ZUAXIQIOHJXDJJ-SFHVURJKSA-N 2 2 303.494 4.035 20 0 DIADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993525 338067880 /nfs/dbraw/zinc/06/78/80/338067880.db2.gz LPOPVASOMWHIHP-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993525 338067881 /nfs/dbraw/zinc/06/78/81/338067881.db2.gz LPOPVASOMWHIHP-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993525 338067882 /nfs/dbraw/zinc/06/78/82/338067882.db2.gz LPOPVASOMWHIHP-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993525 338067883 /nfs/dbraw/zinc/06/78/83/338067883.db2.gz LPOPVASOMWHIHP-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429016231 338069005 /nfs/dbraw/zinc/06/90/05/338069005.db2.gz BHFSFNLSMWSGLL-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429016231 338069006 /nfs/dbraw/zinc/06/90/06/338069006.db2.gz BHFSFNLSMWSGLL-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429016231 338069007 /nfs/dbraw/zinc/06/90/07/338069007.db2.gz BHFSFNLSMWSGLL-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429016231 338069008 /nfs/dbraw/zinc/06/90/08/338069008.db2.gz BHFSFNLSMWSGLL-WBMJQRKESA-N 2 2 313.272 4.082 20 0 DIADLP COC1(C[C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000429527786 338083032 /nfs/dbraw/zinc/08/30/32/338083032.db2.gz NJVFURQTYYABHX-IRXDYDNUSA-N 2 2 318.505 4.053 20 0 DIADLP Cc1ccc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000429723466 338088410 /nfs/dbraw/zinc/08/84/10/338088410.db2.gz MZRSVMNASGIUOU-UHFFFAOYSA-N 2 2 310.441 4.050 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000448523456 338152425 /nfs/dbraw/zinc/15/24/25/338152425.db2.gz ZIYIVLUSPSCYHX-MSOLQXFVSA-N 2 2 316.832 4.339 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432754691 338166681 /nfs/dbraw/zinc/16/66/81/338166681.db2.gz NDORTQKVTRLHDF-UHFFFAOYSA-N 2 2 319.251 4.049 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432754691 338166682 /nfs/dbraw/zinc/16/66/82/338166682.db2.gz NDORTQKVTRLHDF-UHFFFAOYSA-N 2 2 319.251 4.049 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985901 338228992 /nfs/dbraw/zinc/22/89/92/338228992.db2.gz LFUMWCMKHHHPFL-QGZVFWFLSA-N 2 2 303.837 4.394 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000435780626 338248806 /nfs/dbraw/zinc/24/88/06/338248806.db2.gz FEWPFWQJTXKOAK-WGSAOQKQSA-N 2 2 317.436 4.217 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000436247233 338263442 /nfs/dbraw/zinc/26/34/42/338263442.db2.gz NZPGKYYZOOBDAJ-PMACEKPBSA-N 2 2 317.436 4.298 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592883 338315413 /nfs/dbraw/zinc/31/54/13/338315413.db2.gz RVQPCCAJDVETTP-POAQFYNOSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000437592883 338315414 /nfs/dbraw/zinc/31/54/14/338315414.db2.gz RVQPCCAJDVETTP-POAQFYNOSA-N 2 2 309.457 4.100 20 0 DIADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000438087905 338330735 /nfs/dbraw/zinc/33/07/35/338330735.db2.gz ZPWODZJODZSUQJ-GJZGRUSLSA-N 2 2 323.362 4.083 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCCC4(CCCC4)C3)c2)c[nH+]1 ZINC000438351719 338340960 /nfs/dbraw/zinc/34/09/60/338340960.db2.gz HZJDAUCSKHWJQE-UHFFFAOYSA-N 2 2 301.459 4.090 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCCC4(CCCC4)C3)c2)c[nH+]1 ZINC000438351719 338340961 /nfs/dbraw/zinc/34/09/61/338340961.db2.gz HZJDAUCSKHWJQE-UHFFFAOYSA-N 2 2 301.459 4.090 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000162869657 338402141 /nfs/dbraw/zinc/40/21/41/338402141.db2.gz ZMGWDJWZVGTMJH-LBPRGKRZSA-N 2 2 323.362 4.042 20 0 DIADLP Clc1cccc(Cl)c1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000450472787 338686219 /nfs/dbraw/zinc/68/62/19/338686219.db2.gz GDCPEJUXPMYHQY-UHFFFAOYSA-N 2 2 324.255 4.139 20 0 DIADLP CCC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCC1 ZINC000453086645 338792067 /nfs/dbraw/zinc/79/20/67/338792067.db2.gz PBYBYLPKULGRFK-IBGZPJMESA-N 2 2 311.473 4.032 20 0 DIADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000453119130 338796117 /nfs/dbraw/zinc/79/61/17/338796117.db2.gz LQVGXPGFBXSHEZ-KXBFYZLASA-N 2 2 306.413 4.069 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373371 339025330 /nfs/dbraw/zinc/02/53/30/339025330.db2.gz RZTBAPFVRFALSJ-INMHGKMJSA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373371 339025331 /nfs/dbraw/zinc/02/53/31/339025331.db2.gz RZTBAPFVRFALSJ-INMHGKMJSA-N 2 2 314.464 4.149 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3c4ccccc4CCC[C@@H]3C)c[nH+]c12 ZINC000462550430 339081210 /nfs/dbraw/zinc/08/12/10/339081210.db2.gz XMWYNCCAMBAPBY-YWZLYKJASA-N 2 2 319.452 4.446 20 0 DIADLP Cc1ccoc1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000462724897 339084971 /nfs/dbraw/zinc/08/49/71/339084971.db2.gz JNFJXCZGXDVVRC-QGZVFWFLSA-N 2 2 312.457 4.341 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)c[nH+]c12 ZINC000462750318 339086798 /nfs/dbraw/zinc/08/67/98/339086798.db2.gz YLBNHDYDXXUWFO-UYAOXDASSA-N 2 2 319.452 4.144 20 0 DIADLP Cc1cccn2c(C[NH2+]C(C)(C)Cc3ccccc3C)c[nH+]c12 ZINC000462748473 339086804 /nfs/dbraw/zinc/08/68/04/339086804.db2.gz IDTMEFYIYINLDV-UHFFFAOYSA-N 2 2 307.441 4.062 20 0 DIADLP Cc1cccn2c(C[NH2+]CC(C)(C)c3ccccc3C)c[nH+]c12 ZINC000462773803 339087919 /nfs/dbraw/zinc/08/79/19/339087919.db2.gz MOZDEIBFUKRCSC-UHFFFAOYSA-N 2 2 307.441 4.019 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463113516 339106240 /nfs/dbraw/zinc/10/62/40/339106240.db2.gz YUVIEYHLHHUHCZ-ZBFHGGJFSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000463127893 339106664 /nfs/dbraw/zinc/10/66/64/339106664.db2.gz BTMGMYXKWGCAEF-OAHLLOKOSA-N 2 2 320.908 4.473 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000463136364 339106948 /nfs/dbraw/zinc/10/69/48/339106948.db2.gz JRHHIQDLDBTRCV-UHFFFAOYSA-N 2 2 314.860 4.094 20 0 DIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000463146839 339107332 /nfs/dbraw/zinc/10/73/32/339107332.db2.gz UPIWWYABBAORRX-UHFFFAOYSA-N 2 2 320.443 4.353 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CCCC4)CC2)cc1 ZINC000463246230 339111750 /nfs/dbraw/zinc/11/17/50/339111750.db2.gz VDPJQRZMXNYSGE-SFHVURJKSA-N 2 2 318.892 4.227 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463280663 339113077 /nfs/dbraw/zinc/11/30/77/339113077.db2.gz INHUHAIPKZWTRP-OAHLLOKOSA-N 2 2 320.908 4.473 20 0 DIADLP CC1(C)[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000464073788 339133298 /nfs/dbraw/zinc/13/32/98/339133298.db2.gz JMRVWXRXDFVITH-ZWKOTPCHSA-N 2 2 309.457 4.056 20 0 DIADLP CC1(C)[C@H]([NH2+]CCCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000464084933 339133810 /nfs/dbraw/zinc/13/38/10/339133810.db2.gz LHCGRVCHNLPHRF-RBUKOAKNSA-N 2 2 323.484 4.446 20 0 DIADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788740 339153934 /nfs/dbraw/zinc/15/39/34/339153934.db2.gz LJNVKRVNMBIAPQ-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788740 339153935 /nfs/dbraw/zinc/15/39/35/339153935.db2.gz LJNVKRVNMBIAPQ-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788740 339153936 /nfs/dbraw/zinc/15/39/36/339153936.db2.gz LJNVKRVNMBIAPQ-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788740 339153937 /nfs/dbraw/zinc/15/39/37/339153937.db2.gz LJNVKRVNMBIAPQ-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000466395755 339202406 /nfs/dbraw/zinc/20/24/06/339202406.db2.gz LFTITDKCKQGVMK-HNNXBMFYSA-N 2 2 311.454 4.217 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000466414264 339203353 /nfs/dbraw/zinc/20/33/53/339203353.db2.gz INZUHNOSOIUPMH-CQSZACIVSA-N 2 2 311.454 4.215 20 0 DIADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1)CCC2 ZINC000468551625 339266171 /nfs/dbraw/zinc/26/61/71/339266171.db2.gz DPOXRWNZGGQONG-SLFFLAALSA-N 2 2 323.484 4.152 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1CCC(C)C)CCC2 ZINC000468557241 339266401 /nfs/dbraw/zinc/26/64/01/339266401.db2.gz XUAVJNJIORTLQD-BZSNNMDCSA-N 2 2 303.494 4.263 20 0 DIADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469740360 339297491 /nfs/dbraw/zinc/29/74/91/339297491.db2.gz XGXKSGWTVKURAK-KKSFZXQISA-N 2 2 318.420 4.449 20 0 DIADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469740357 339297531 /nfs/dbraw/zinc/29/75/31/339297531.db2.gz XGXKSGWTVKURAK-HRAATJIYSA-N 2 2 318.420 4.449 20 0 DIADLP C[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000469774306 339298788 /nfs/dbraw/zinc/29/87/88/339298788.db2.gz DXGDTJMOZYOFIB-DLBZAZTESA-N 2 2 305.425 4.327 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000469774308 339298852 /nfs/dbraw/zinc/29/88/52/339298852.db2.gz DXGDTJMOZYOFIB-IRXDYDNUSA-N 2 2 305.425 4.327 20 0 DIADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469983372 339306727 /nfs/dbraw/zinc/30/67/27/339306727.db2.gz HHDVSYDMHIMPHZ-XLIONFOSSA-N 2 2 311.473 4.132 20 0 DIADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469983372 339306728 /nfs/dbraw/zinc/30/67/28/339306728.db2.gz HHDVSYDMHIMPHZ-XLIONFOSSA-N 2 2 311.473 4.132 20 0 DIADLP Cc1cc2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)oc2cc1C ZINC000470015740 339308510 /nfs/dbraw/zinc/30/85/10/339308510.db2.gz CPVKPTBQDITHNO-UHFFFAOYSA-N 2 2 312.457 4.014 20 0 DIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363142 339318339 /nfs/dbraw/zinc/31/83/39/339318339.db2.gz NHTGDUWDDPIXFE-PBHICJAKSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363142 339318340 /nfs/dbraw/zinc/31/83/40/339318340.db2.gz NHTGDUWDDPIXFE-PBHICJAKSA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021633 339334538 /nfs/dbraw/zinc/33/45/38/339334538.db2.gz YTCAACPXEQGIRB-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021633 339334539 /nfs/dbraw/zinc/33/45/39/339334539.db2.gz YTCAACPXEQGIRB-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021633 339334540 /nfs/dbraw/zinc/33/45/40/339334540.db2.gz YTCAACPXEQGIRB-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021633 339334541 /nfs/dbraw/zinc/33/45/41/339334541.db2.gz YTCAACPXEQGIRB-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471578470 339347948 /nfs/dbraw/zinc/34/79/48/339347948.db2.gz RJFJKKRCKYYKEU-AOUGCYQESA-N 2 2 308.469 4.214 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000471597724 339348752 /nfs/dbraw/zinc/34/87/52/339348752.db2.gz GSRRMMDRFSAJOA-QMTMVMCOSA-N 2 2 300.421 4.168 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000471597144 339348881 /nfs/dbraw/zinc/34/88/81/339348881.db2.gz CLDAQHYTOLZGLX-VHKYSDTDSA-N 2 2 312.432 4.094 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471611408 339349523 /nfs/dbraw/zinc/34/95/23/339349523.db2.gz QFEAICSHOKUJTO-YRNRMSPPSA-N 2 2 312.457 4.037 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000471618584 339349792 /nfs/dbraw/zinc/34/97/92/339349792.db2.gz KJHVPUJRKGONSH-CKFHNAJUSA-N 2 2 318.411 4.307 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000471618585 339349811 /nfs/dbraw/zinc/34/98/11/339349811.db2.gz KJHVPUJRKGONSH-IQUTYRLHSA-N 2 2 318.411 4.307 20 0 DIADLP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000472078838 339362758 /nfs/dbraw/zinc/36/27/58/339362758.db2.gz QQLGKXWQIUDBMH-IFABGAQTSA-N 2 2 312.432 4.120 20 0 DIADLP Fc1cccc(Cl)c1CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000472579320 339374274 /nfs/dbraw/zinc/37/42/74/339374274.db2.gz HXJJBPGYXSFESP-CYBMUJFWSA-N 2 2 321.827 4.014 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H](C)c3cc4cccc(F)c4o3)c[nH+]c12 ZINC000474021816 339397324 /nfs/dbraw/zinc/39/73/24/339397324.db2.gz NWCZBFCNSJOISK-CYBMUJFWSA-N 2 2 323.371 4.379 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+](C)Cc1ccccc1 ZINC000474026669 339397549 /nfs/dbraw/zinc/39/75/49/339397549.db2.gz ACXIOEHLJGWNSC-CVEARBPZSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000474026669 339397550 /nfs/dbraw/zinc/39/75/50/339397550.db2.gz ACXIOEHLJGWNSC-CVEARBPZSA-N 2 2 324.459 4.311 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000474030952 339397864 /nfs/dbraw/zinc/39/78/64/339397864.db2.gz GWRNPSYNUQFQDY-CRAIPNDOSA-N 2 2 324.459 4.401 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000474036872 339398215 /nfs/dbraw/zinc/39/82/15/339398215.db2.gz QNEBTOMMCBBLOF-KFWWJZLASA-N 2 2 302.453 4.053 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+]1CCCC[C@H]1C ZINC000474036872 339398216 /nfs/dbraw/zinc/39/82/16/339398216.db2.gz QNEBTOMMCBBLOF-KFWWJZLASA-N 2 2 302.453 4.053 20 0 DIADLP c1csc([C@@H](C[NH2+][C@@H]2CCC23CCCC3)[NH+]2CCCC2)c1 ZINC000474037001 339398320 /nfs/dbraw/zinc/39/83/20/339398320.db2.gz SAFDEUYREAUYRN-NVXWUHKLSA-N 2 2 304.503 4.197 20 0 DIADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474062330 339400252 /nfs/dbraw/zinc/40/02/52/339400252.db2.gz FZMIOLGHCWXRLZ-WMLDXEAASA-N 2 2 310.432 4.093 20 0 DIADLP CCCCOc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000474463886 339415464 /nfs/dbraw/zinc/41/54/64/339415464.db2.gz IIDODMVFPIZDCX-UHFFFAOYSA-N 2 2 312.457 4.291 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474797435 339426461 /nfs/dbraw/zinc/42/64/61/339426461.db2.gz RWCKGEDKOYYFDJ-QZTJIDSGSA-N 2 2 324.553 4.070 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474865947 339429073 /nfs/dbraw/zinc/42/90/73/339429073.db2.gz AZJOGOYKAKVTKP-LSDHHAIUSA-N 2 2 302.849 4.368 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000475356655 339449039 /nfs/dbraw/zinc/44/90/39/339449039.db2.gz MVZVXLWCCILXNI-AZUAARDMSA-N 2 2 312.432 4.388 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@@H](c4cccc(F)c4)C3)n2c1 ZINC000475557952 339455047 /nfs/dbraw/zinc/45/50/47/339455047.db2.gz GDHMHHKMKXMVIS-AEFFLSMTSA-N 2 2 323.415 4.208 20 0 DIADLP Clc1oc2ccccc2c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475583839 339456546 /nfs/dbraw/zinc/45/65/46/339456546.db2.gz NQWBXFQYUZLLLD-UHFFFAOYSA-N 2 2 318.848 4.193 20 0 DIADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Cl)c1 ZINC000479517238 339538964 /nfs/dbraw/zinc/53/89/64/339538964.db2.gz NBDDUCNVRHEEPU-GRTSSRMGSA-N 2 2 310.844 4.147 20 0 DIADLP Cc1cccn2c(C[NH2+]C3(Cc4cccc(F)c4)CCC3)c[nH+]c12 ZINC000479871215 339551820 /nfs/dbraw/zinc/55/18/20/339551820.db2.gz HXPVOVPNEMYOGM-UHFFFAOYSA-N 2 2 323.415 4.037 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000480068955 339557497 /nfs/dbraw/zinc/55/74/97/339557497.db2.gz PKONTWVIXDMEAF-AWEZNQCLSA-N 2 2 313.470 4.456 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000480747773 339585686 /nfs/dbraw/zinc/58/56/86/339585686.db2.gz UYUFMQADNSCQFH-IAGOWNOFSA-N 2 2 305.425 4.289 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000480747774 339585712 /nfs/dbraw/zinc/58/57/12/339585712.db2.gz UYUFMQADNSCQFH-IRXDYDNUSA-N 2 2 305.425 4.289 20 0 DIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000480770927 339586392 /nfs/dbraw/zinc/58/63/92/339586392.db2.gz QMLJNCDOXUDOIA-HIFRSBDPSA-N 2 2 323.893 4.086 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+]CC[C@H](C)CCC=C(C)C)CC1 ZINC000482246373 339627467 /nfs/dbraw/zinc/62/74/67/339627467.db2.gz PUUYAQBXSLVNRE-GOSISDBHSA-N 2 2 324.553 4.238 20 0 DIADLP C[NH+](C)CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000491411572 339861170 /nfs/dbraw/zinc/86/11/70/339861170.db2.gz YIFOIPSAHHYJNJ-SFHVURJKSA-N 2 2 320.839 4.110 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cn1 ZINC000493062202 339916242 /nfs/dbraw/zinc/91/62/42/339916242.db2.gz SKQKDXBTIQHLDN-GOSISDBHSA-N 2 2 319.468 4.059 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000494940808 339965985 /nfs/dbraw/zinc/96/59/85/339965985.db2.gz NFYAQHNJGVOBNM-XLIONFOSSA-N 2 2 309.457 4.027 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000498958378 340027089 /nfs/dbraw/zinc/02/70/89/340027089.db2.gz UTVQKOPJVLBPOQ-FQEVSTJZSA-N 2 2 311.473 4.069 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000498958378 340027090 /nfs/dbraw/zinc/02/70/90/340027090.db2.gz UTVQKOPJVLBPOQ-FQEVSTJZSA-N 2 2 311.473 4.069 20 0 DIADLP CC1CC[NH+]([C@H](C[NH2+]C2CCCCC2)c2cccs2)CC1 ZINC000500037615 340049054 /nfs/dbraw/zinc/04/90/54/340049054.db2.gz KADQQBDHBMQHHN-QGZVFWFLSA-N 2 2 306.519 4.443 20 0 DIADLP CC[C@@H]1C[C@]1([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1cccc(C)c1 ZINC000500496957 340060578 /nfs/dbraw/zinc/06/05/78/340060578.db2.gz JLGOWCGSIJEADY-DYESRHJHSA-N 2 2 319.452 4.366 20 0 DIADLP CC[C@@H]1C[C@@]1([NH2+]Cc1c[nH+]c2c(C)cccn12)c1cccc(C)c1 ZINC000500507279 340060959 /nfs/dbraw/zinc/06/09/59/340060959.db2.gz INWOOONDFXQOBV-UTKZUKDTSA-N 2 2 319.452 4.366 20 0 DIADLP CC[C@@H]1C[C@]1([NH2+]Cc1c[nH+]c2c(C)cccn12)c1cccc(C)c1 ZINC000500507277 340061027 /nfs/dbraw/zinc/06/10/27/340061027.db2.gz INWOOONDFXQOBV-DYESRHJHSA-N 2 2 319.452 4.366 20 0 DIADLP CC[C@H]1C[C@]1([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C)c1 ZINC000500538974 340061847 /nfs/dbraw/zinc/06/18/47/340061847.db2.gz VXZCDHOFLCESEA-OXJNMPFZSA-N 2 2 305.425 4.058 20 0 DIADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC000500618236 340063906 /nfs/dbraw/zinc/06/39/06/340063906.db2.gz NXHVCGCQASUNTH-VQTJNVASSA-N 2 2 323.484 4.177 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC12CCC2)c1cccc(OC)c1 ZINC000502701480 340111382 /nfs/dbraw/zinc/11/13/82/340111382.db2.gz VJWNPRDFKGRBEK-RTBURBONSA-N 2 2 316.489 4.000 20 0 DIADLP c1c2ccccc2sc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000506372080 340193565 /nfs/dbraw/zinc/19/35/65/340193565.db2.gz XNJCGGURWKXNTD-UHFFFAOYSA-N 2 2 314.498 4.352 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468407 340195259 /nfs/dbraw/zinc/19/52/59/340195259.db2.gz DGOABCDAMXPDCB-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468407 340195260 /nfs/dbraw/zinc/19/52/60/340195260.db2.gz DGOABCDAMXPDCB-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468407 340195261 /nfs/dbraw/zinc/19/52/61/340195261.db2.gz DGOABCDAMXPDCB-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468407 340195262 /nfs/dbraw/zinc/19/52/62/340195262.db2.gz DGOABCDAMXPDCB-AEFFLSMTSA-N 2 2 320.908 4.426 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000507468434 340221050 /nfs/dbraw/zinc/22/10/50/340221050.db2.gz HGCBNUIDKCRQNZ-ZDUSSCGKSA-N 2 2 320.424 4.206 20 0 DIADLP CCc1cccnc1[C@@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000507486237 340222164 /nfs/dbraw/zinc/22/21/64/340222164.db2.gz OKHOAJRLTRPPCO-OAHLLOKOSA-N 2 2 322.456 4.043 20 0 DIADLP CC(C)C1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000507512327 340223493 /nfs/dbraw/zinc/22/34/93/340223493.db2.gz PLXJKIHUUBNAQF-UHFFFAOYSA-N 2 2 320.443 4.208 20 0 DIADLP C(=C/[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877722 340234944 /nfs/dbraw/zinc/23/49/44/340234944.db2.gz SUIRRNRDBORNJJ-IENJSVCTSA-N 2 2 303.409 4.012 20 0 DIADLP C(=C/[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)\c1ccccc1 ZINC000507877722 340234945 /nfs/dbraw/zinc/23/49/45/340234945.db2.gz SUIRRNRDBORNJJ-IENJSVCTSA-N 2 2 303.409 4.012 20 0 DIADLP C[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000507897719 340235322 /nfs/dbraw/zinc/23/53/22/340235322.db2.gz VIVRAYHKXGOXSF-LRDDRELGSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000507897719 340235323 /nfs/dbraw/zinc/23/53/23/340235323.db2.gz VIVRAYHKXGOXSF-LRDDRELGSA-N 2 2 324.255 4.273 20 0 DIADLP C[N@H+](CCC[NH2+]Cc1cc2ccccc2o1)Cc1ccccc1 ZINC000302795950 340282190 /nfs/dbraw/zinc/28/21/90/340282190.db2.gz IWRNGIYTUQYWOC-UHFFFAOYSA-N 2 2 308.425 4.045 20 0 DIADLP C[N@@H+](CCC[NH2+]Cc1cc2ccccc2o1)Cc1ccccc1 ZINC000302795950 340282191 /nfs/dbraw/zinc/28/21/91/340282191.db2.gz IWRNGIYTUQYWOC-UHFFFAOYSA-N 2 2 308.425 4.045 20 0 DIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H]1CCCF)C2 ZINC000510672000 340305976 /nfs/dbraw/zinc/30/59/76/340305976.db2.gz RZCPNHYEBLXSIR-JYJNAYRXSA-N 2 2 321.484 4.003 20 0 DIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCCF)C2 ZINC000510672001 340305989 /nfs/dbraw/zinc/30/59/89/340305989.db2.gz RZCPNHYEBLXSIR-OWCLPIDISA-N 2 2 321.484 4.003 20 0 DIADLP Cc1ccccc1C(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303170967 340309169 /nfs/dbraw/zinc/30/91/69/340309169.db2.gz VQWFRBZCGMCUDB-UHFFFAOYSA-N 2 2 319.452 4.248 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@@H+]1C1CC1 ZINC000511624767 340332794 /nfs/dbraw/zinc/33/27/94/340332794.db2.gz CQVLECQKKXARDL-PXNSSMCTSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C[N@H+]1C1CC1 ZINC000511624767 340332795 /nfs/dbraw/zinc/33/27/95/340332795.db2.gz CQVLECQKKXARDL-PXNSSMCTSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194458 340351902 /nfs/dbraw/zinc/35/19/02/340351902.db2.gz LAKGLADFDFJXGT-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2F)C1 ZINC000512194458 340351903 /nfs/dbraw/zinc/35/19/03/340351903.db2.gz LAKGLADFDFJXGT-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000512194458 340351904 /nfs/dbraw/zinc/35/19/04/340351904.db2.gz LAKGLADFDFJXGT-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000512194458 340351905 /nfs/dbraw/zinc/35/19/05/340351905.db2.gz LAKGLADFDFJXGT-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)o2)cc1 ZINC000513131011 340394506 /nfs/dbraw/zinc/39/45/06/340394506.db2.gz BCOAPTOWOZYRHC-UHFFFAOYSA-N 2 2 324.468 4.219 20 0 DIADLP c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513207956 340397206 /nfs/dbraw/zinc/39/72/06/340397206.db2.gz JQVFPGKNYUMYIX-SFHVURJKSA-N 2 2 316.514 4.220 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c2ccccc21 ZINC000185393853 340500704 /nfs/dbraw/zinc/50/07/04/340500704.db2.gz GWFYTYAMYYEOKS-CQSZACIVSA-N 2 2 313.832 4.431 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cs1 ZINC000186502336 340513656 /nfs/dbraw/zinc/51/36/56/340513656.db2.gz NDYRBOWIJDXGQZ-CABCVRRESA-N 2 2 309.523 4.182 20 0 DIADLP Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000303351429 340634913 /nfs/dbraw/zinc/63/49/13/340634913.db2.gz NSCMKYSPHUXOAT-SFHVURJKSA-N 2 2 319.452 4.210 20 0 DIADLP C[C@@H](CC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000237568757 340672307 /nfs/dbraw/zinc/67/23/07/340672307.db2.gz WGJSBILQWOFFQQ-SFHVURJKSA-N 2 2 319.452 4.215 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000237585217 340672461 /nfs/dbraw/zinc/67/24/61/340672461.db2.gz UCVCTNYGBHWAKF-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)C1CC(F)(F)C1)[NH+](C)C ZINC000529559560 340763200 /nfs/dbraw/zinc/76/32/00/340763200.db2.gz XTNHDXYRJIWWNK-KEYYUXOJSA-N 2 2 310.432 4.010 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000539040514 340866348 /nfs/dbraw/zinc/86/63/48/340866348.db2.gz GOOKSPKHBXESDI-CQSZACIVSA-N 2 2 300.471 4.224 20 0 DIADLP Fc1ccccc1[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000539164613 340875353 /nfs/dbraw/zinc/87/53/53/340875353.db2.gz XJAHAIIQBWNQFV-IBGZPJMESA-N 2 2 315.436 4.324 20 0 DIADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CCC2)o1 ZINC000541732988 340981223 /nfs/dbraw/zinc/98/12/23/340981223.db2.gz AAUWLSCTZRCRKY-FQEVSTJZSA-N 2 2 321.424 4.405 20 0 DIADLP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466853 341008561 /nfs/dbraw/zinc/00/85/61/341008561.db2.gz LALCFLNDUMDITE-DNVCBOLYSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466853 341008562 /nfs/dbraw/zinc/00/85/62/341008562.db2.gz LALCFLNDUMDITE-DNVCBOLYSA-N 2 2 323.465 4.312 20 0 DIADLP Cc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)o1 ZINC000542677259 341016845 /nfs/dbraw/zinc/01/68/45/341016845.db2.gz GUWUKRDJSGDHQS-GOSISDBHSA-N 2 2 301.434 4.086 20 0 DIADLP CC(C)[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000542848452 341023500 /nfs/dbraw/zinc/02/35/00/341023500.db2.gz ZMNUDVFVVPJTAH-SFHVURJKSA-N 2 2 319.399 4.149 20 0 DIADLP CC(C)[NH+](CCC[NH2+][C@@H](c1ccco1)c1ccccc1)C(C)C ZINC000543400227 341042217 /nfs/dbraw/zinc/04/22/17/341042217.db2.gz VAYTVATWQJWKTK-HXUWFJFHSA-N 2 2 314.473 4.468 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000543600835 341050576 /nfs/dbraw/zinc/05/05/76/341050576.db2.gz JBIPLALTYSOGAA-HUUCEWRRSA-N 2 2 311.454 4.351 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)CC2CCCCC2)CC1 ZINC000543636412 341052431 /nfs/dbraw/zinc/05/24/31/341052431.db2.gz WJYYBNPDMATULS-KRWDZBQOSA-N 2 2 324.553 4.072 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000132282655 341120018 /nfs/dbraw/zinc/12/00/18/341120018.db2.gz DVOIXBCGKYHVPI-GOSISDBHSA-N 2 2 319.452 4.133 20 0 DIADLP Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000134230981 341210272 /nfs/dbraw/zinc/21/02/72/341210272.db2.gz DEZWJGOPHVXEQX-UONOGXRCSA-N 2 2 312.442 4.049 20 0 DIADLP Clc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000077467813 341225339 /nfs/dbraw/zinc/22/53/39/341225339.db2.gz BPHJZVYWOLLICX-UHFFFAOYSA-N 2 2 323.827 4.305 20 0 DIADLP FC(F)c1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000547767665 341231260 /nfs/dbraw/zinc/23/12/60/341231260.db2.gz PDCQIYCBJIZCKL-UHFFFAOYSA-N 2 2 317.383 4.096 20 0 DIADLP C[C@@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)Cn1cc[nH+]c1 ZINC000548752414 341272255 /nfs/dbraw/zinc/27/22/55/341272255.db2.gz WIAHMMUZKANTBF-XEYPJELSSA-N 2 2 311.473 4.081 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+]C(C3CC3)C3CC3)ccc2n1C1CC1 ZINC000549225699 341289116 /nfs/dbraw/zinc/28/91/16/341289116.db2.gz QAWQAQSSZGJMLE-UHFFFAOYSA-N 2 2 309.457 4.212 20 0 DIADLP C[C@H]1CC[N@H+](Cc2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000245562403 341302071 /nfs/dbraw/zinc/30/20/71/341302071.db2.gz CQBRZGIDIPLOKJ-WMLDXEAASA-N 2 2 311.454 4.181 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000245562403 341302072 /nfs/dbraw/zinc/30/20/72/341302072.db2.gz CQBRZGIDIPLOKJ-WMLDXEAASA-N 2 2 311.454 4.181 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000245562400 341302141 /nfs/dbraw/zinc/30/21/41/341302141.db2.gz CQBRZGIDIPLOKJ-RHSMWYFYSA-N 2 2 311.454 4.181 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000245562400 341302142 /nfs/dbraw/zinc/30/21/42/341302142.db2.gz CQBRZGIDIPLOKJ-RHSMWYFYSA-N 2 2 311.454 4.181 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)c2ccccc21 ZINC000550679979 341321277 /nfs/dbraw/zinc/32/12/77/341321277.db2.gz DRQLPKJQCHPHOW-YRVVQQKDSA-N 2 2 312.432 4.112 20 0 DIADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)c2ccccc21 ZINC000550679979 341321278 /nfs/dbraw/zinc/32/12/78/341321278.db2.gz DRQLPKJQCHPHOW-YRVVQQKDSA-N 2 2 312.432 4.112 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000551085944 341331233 /nfs/dbraw/zinc/33/12/33/341331233.db2.gz JVRVGCDYOSJQCI-SFHVURJKSA-N 2 2 311.473 4.208 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@H](CC1CCC1)c1ccccc1)CCCC2 ZINC000551572839 341346027 /nfs/dbraw/zinc/34/60/27/341346027.db2.gz WYVUXTVOFPYQQP-LJQANCHMSA-N 2 2 309.457 4.241 20 0 DIADLP CCn1cc[nH+]c1CNc1ccc([NH+]2CCCCCC2)cc1C ZINC000552020740 341361928 /nfs/dbraw/zinc/36/19/28/341361928.db2.gz OBMFUZIVGQUTIR-UHFFFAOYSA-N 2 2 312.461 4.204 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000249010154 341392025 /nfs/dbraw/zinc/39/20/25/341392025.db2.gz OKQSSPGBMSCFAL-LSDHHAIUSA-N 2 2 309.523 4.182 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000249010154 341392026 /nfs/dbraw/zinc/39/20/26/341392026.db2.gz OKQSSPGBMSCFAL-LSDHHAIUSA-N 2 2 309.523 4.182 20 0 DIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000089512912 341405234 /nfs/dbraw/zinc/40/52/34/341405234.db2.gz RCCONRFTSOMJMJ-ZDUSSCGKSA-N 2 2 324.896 4.262 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)[C@H](C)c1ccccc1 ZINC000090050808 341412966 /nfs/dbraw/zinc/41/29/66/341412966.db2.gz ATEWHMSGZCVVET-DLBZAZTESA-N 2 2 321.468 4.288 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1Cl ZINC000556254664 341499409 /nfs/dbraw/zinc/49/94/09/341499409.db2.gz OCDPCDMIHGWOAB-AWEZNQCLSA-N 2 2 306.881 4.398 20 0 DIADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000152921487 341511902 /nfs/dbraw/zinc/51/19/02/341511902.db2.gz ZHRPBPARXPEANP-VQIMIIECSA-N 2 2 321.468 4.197 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000153678837 341576815 /nfs/dbraw/zinc/57/68/15/341576815.db2.gz WQGPFOKOQNKVKC-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000267272357 341590475 /nfs/dbraw/zinc/59/04/75/341590475.db2.gz SOLUHDPWMIPQED-JKSUJKDBSA-N 2 2 321.424 4.293 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155134238 341602455 /nfs/dbraw/zinc/60/24/55/341602455.db2.gz WXZUOGWVGNTDBO-JLTOFOAXSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(F)cc1F ZINC000156156707 341617538 /nfs/dbraw/zinc/61/75/38/341617538.db2.gz HPXFRGBYURJFJW-LBPRGKRZSA-N 2 2 315.367 4.125 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cc(F)cc(F)c1 ZINC000156189859 341617894 /nfs/dbraw/zinc/61/78/94/341617894.db2.gz NLJBGKBZUMHCJF-GFCCVEGCSA-N 2 2 315.367 4.125 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000567721139 341629633 /nfs/dbraw/zinc/62/96/33/341629633.db2.gz KHACOGYUWIBOQU-AWEZNQCLSA-N 2 2 306.862 4.315 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000157560540 341640609 /nfs/dbraw/zinc/64/06/09/341640609.db2.gz HIYGOKZNCUXOMH-HNNXBMFYSA-N 2 2 304.478 4.290 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000568040596 341647386 /nfs/dbraw/zinc/64/73/86/341647386.db2.gz YPHHUGNHXXDICL-XLIONFOSSA-N 2 2 309.457 4.013 20 0 DIADLP COc1cccc(C2CC[NH+](CCCc3c[nH+]ccc3C)CC2)c1 ZINC000573960897 341744340 /nfs/dbraw/zinc/74/43/40/341744340.db2.gz HTVYQNBMQBTDAX-UHFFFAOYSA-N 2 2 324.468 4.211 20 0 DIADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000574083927 341747938 /nfs/dbraw/zinc/74/79/38/341747938.db2.gz KMXNTSNUEJYRBB-NVXWUHKLSA-N 2 2 311.473 4.088 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000336852627 341807940 /nfs/dbraw/zinc/80/79/40/341807940.db2.gz VBPFEELYUKNKSD-OAHLLOKOSA-N 2 2 311.454 4.073 20 0 DIADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000037320202 517827243 /nfs/dbraw/zinc/82/72/43/517827243.db2.gz IPBGKSIGEIWJPN-NHYWBVRUSA-N 2 2 312.244 4.319 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000157808246 521155073 /nfs/dbraw/zinc/15/50/73/521155073.db2.gz NMXCVGWCGDYACK-NRFANRHFSA-N 2 2 323.484 4.177 20 0 DIADLP CCCC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000266773418 521239276 /nfs/dbraw/zinc/23/92/76/521239276.db2.gz BMAZUQAENDXBPJ-IBGZPJMESA-N 2 2 320.440 4.288 20 0 DIADLP COc1c(C)c[nH+]c(C[N@@H+]2CCC[C@H]2c2ccsc2)c1C ZINC000336832240 521813410 /nfs/dbraw/zinc/81/34/10/521813410.db2.gz ADSCFUNREXHTIU-INIZCTEOSA-N 2 2 302.443 4.106 20 0 DIADLP COc1c(C)c[nH+]c(C[N@H+]2CCC[C@H]2c2ccsc2)c1C ZINC000336832240 521813416 /nfs/dbraw/zinc/81/34/16/521813416.db2.gz ADSCFUNREXHTIU-INIZCTEOSA-N 2 2 302.443 4.106 20 0 DIADLP CCc1[nH+]c2cc(CNc3cc(C)cc[nH+]3)ccc2n1C1CC1 ZINC000338489483 522486266 /nfs/dbraw/zinc/48/62/66/522486266.db2.gz OSMIOTHCXNRWRG-UHFFFAOYSA-N 2 2 306.413 4.249 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1F ZINC000161789419 522558463 /nfs/dbraw/zinc/55/84/63/522558463.db2.gz MXJPSMNHUXSTQS-INIZCTEOSA-N 2 2 312.860 4.393 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(C(F)(F)F)c1 ZINC000367439849 525551928 /nfs/dbraw/zinc/55/19/28/525551928.db2.gz XQSPUSCVTCREAR-GFCCVEGCSA-N 2 2 323.362 4.089 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191151 525569999 /nfs/dbraw/zinc/56/99/99/525569999.db2.gz KEFNHAKEMFWBBT-IACUBPJLSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191151 525570003 /nfs/dbraw/zinc/57/00/03/525570003.db2.gz KEFNHAKEMFWBBT-IACUBPJLSA-N 2 2 313.272 4.271 20 0 DIADLP Cc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCC2)cc1 ZINC000367440083 525774109 /nfs/dbraw/zinc/77/41/09/525774109.db2.gz ZKMFMQZDCYDOEF-FQEVSTJZSA-N 2 2 309.457 4.159 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CCC2 ZINC000366213861 525940013 /nfs/dbraw/zinc/94/00/13/525940013.db2.gz ZKMSRWZIOLDQAK-SLFFLAALSA-N 2 2 323.484 4.070 20 0 DIADLP c1c2ccccc2sc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000131110840 526403505 /nfs/dbraw/zinc/40/35/05/526403505.db2.gz ADIBCJBKGFYOMU-UHFFFAOYSA-N 2 2 323.465 4.055 20 0 DIADLP c1cn(-c2csc(CNc3ccc(C4CCC4)c[nH+]3)c2)c[nH+]1 ZINC000339566594 526528017 /nfs/dbraw/zinc/52/80/17/526528017.db2.gz ZYADDTSIKWXNBS-UHFFFAOYSA-N 2 2 310.426 4.208 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2F)cc1 ZINC000338008274 527379952 /nfs/dbraw/zinc/37/99/52/527379952.db2.gz PMZSYUVAACDXAL-KGLIPLIRSA-N 2 2 324.403 4.127 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(C)c1 ZINC000285680896 535921025 /nfs/dbraw/zinc/92/10/25/535921025.db2.gz NWIXICBUDRPOKB-NRFANRHFSA-N 2 2 319.452 4.481 20 0 DIADLP Cc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]c2ccccc12 ZINC001165049760 721969785 /nfs/dbraw/zinc/96/97/85/721969785.db2.gz WSVMRLJSNTWTIO-SFHVURJKSA-N 2 2 323.484 4.388 20 0 DIADLP Cc1cccc2c1cc[nH+]c2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046540 721970586 /nfs/dbraw/zinc/97/05/86/721970586.db2.gz GVHDYEOAEBGTNB-GOSISDBHSA-N 2 2 323.484 4.388 20 0 DIADLP Clc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000065982001 1035745504 /nfs/dbraw/zinc/74/55/04/1035745504.db2.gz SJFVREJUSLAEPJ-UHFFFAOYSA-N 2 2 310.869 4.067 20 0 DIADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000339681806 1035914725 /nfs/dbraw/zinc/91/47/25/1035914725.db2.gz ZXBFKPIVXWHADT-HNNXBMFYSA-N 2 2 312.244 4.321 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000037319113 1036019522 /nfs/dbraw/zinc/01/95/22/1036019522.db2.gz UPBLLBAOBCRXSG-CYBMUJFWSA-N 2 2 312.860 4.394 20 0 DIADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000180028882 1036028854 /nfs/dbraw/zinc/02/88/54/1036028854.db2.gz JMVQBPRTCZGLOO-QFIPXVFZSA-N 2 2 320.480 4.301 20 0 DIADLP C[C@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000683706093 1036737862 /nfs/dbraw/zinc/73/78/62/1036737862.db2.gz BPQPLRRYNVZYQN-YLJYHZDGSA-N 2 2 319.452 4.097 20 0 DIADLP Cc1ccc(-c2cccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000580767009 1037294246 /nfs/dbraw/zinc/29/42/46/1037294246.db2.gz PVKPHLLZNVURGL-IBGZPJMESA-N 2 2 317.436 4.032 20 0 DIADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1F ZINC001143384648 1037355457 /nfs/dbraw/zinc/35/54/57/1037355457.db2.gz KIQGLRRLRAZPSG-UHFFFAOYSA-N 2 2 323.415 4.260 20 0 DIADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1F ZINC001143384648 1037355473 /nfs/dbraw/zinc/35/54/73/1037355473.db2.gz KIQGLRRLRAZPSG-UHFFFAOYSA-N 2 2 323.415 4.260 20 0 DIADLP CCn1c[nH+]cc1CNc1cc(O[C@H](C)c2ccccc2)cc[nH+]1 ZINC000656780554 1037868314 /nfs/dbraw/zinc/86/83/14/1037868314.db2.gz RZQKUUZEBSFNJX-OAHLLOKOSA-N 2 2 322.412 4.050 20 0 DIADLP Cn1c[nH+]cc1CCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000581734021 1037950985 /nfs/dbraw/zinc/95/09/85/1037950985.db2.gz WSQDMIBBFCYLHT-UHFFFAOYSA-N 2 2 317.436 4.036 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@@H]3CCCc4sccc43)c2)c[nH+]1 ZINC000341542482 1038104314 /nfs/dbraw/zinc/10/43/14/1038104314.db2.gz GKJOUBBQTQANLO-OAHLLOKOSA-N 2 2 315.467 4.163 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000341642890 1038200529 /nfs/dbraw/zinc/20/05/29/1038200529.db2.gz PTOBUWCPQAOMQF-INIZCTEOSA-N 2 2 307.397 4.026 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000535664186 1038279006 /nfs/dbraw/zinc/27/90/06/1038279006.db2.gz YKEZCNBOXRERGV-YVNCXZRQSA-N 2 2 309.457 4.150 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000535664186 1038279019 /nfs/dbraw/zinc/27/90/19/1038279019.db2.gz YKEZCNBOXRERGV-YVNCXZRQSA-N 2 2 309.457 4.150 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000151316973 1038437785 /nfs/dbraw/zinc/43/77/85/1038437785.db2.gz PDAFVMHISNMSKD-HXUWFJFHSA-N 2 2 305.425 4.172 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000151353380 1038438550 /nfs/dbraw/zinc/43/85/50/1038438550.db2.gz CFQJABSORUVMQR-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP Cc1[nH]c(CNc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[nH+]c1C ZINC000657320245 1038564254 /nfs/dbraw/zinc/56/42/54/1038564254.db2.gz AYLNUCCOBZNGFA-AWEZNQCLSA-N 2 2 312.461 4.013 20 0 DIADLP Cc1[nH]c(CNc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[nH+]c1C ZINC000657320245 1038564265 /nfs/dbraw/zinc/56/42/65/1038564265.db2.gz AYLNUCCOBZNGFA-AWEZNQCLSA-N 2 2 312.461 4.013 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000152259610 1038598739 /nfs/dbraw/zinc/59/87/39/1038598739.db2.gz HKJBSJBRFURPOD-SFHVURJKSA-N 2 2 309.388 4.252 20 0 DIADLP CCc1ccc([C@H]2CCCCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000342475767 1038627968 /nfs/dbraw/zinc/62/79/68/1038627968.db2.gz YYIIFGRRVMDXKT-QGZVFWFLSA-N 2 2 301.434 4.046 20 0 DIADLP CCc1ccc([C@H]2CCCCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000342475767 1038627974 /nfs/dbraw/zinc/62/79/74/1038627974.db2.gz YYIIFGRRVMDXKT-QGZVFWFLSA-N 2 2 301.434 4.046 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1C ZINC000608061355 1038760728 /nfs/dbraw/zinc/76/07/28/1038760728.db2.gz QHDRGCNEVYWJHJ-XJKSGUPXSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@H+]1C ZINC000608061355 1038760731 /nfs/dbraw/zinc/76/07/31/1038760731.db2.gz QHDRGCNEVYWJHJ-XJKSGUPXSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1C ZINC000608061352 1038762022 /nfs/dbraw/zinc/76/20/22/1038762022.db2.gz QHDRGCNEVYWJHJ-BBRMVZONSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@H+]1C ZINC000608061352 1038762028 /nfs/dbraw/zinc/76/20/28/1038762028.db2.gz QHDRGCNEVYWJHJ-BBRMVZONSA-N 2 2 318.848 4.172 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000608056522 1038767853 /nfs/dbraw/zinc/76/78/53/1038767853.db2.gz URLRJJTYWFFFNN-UHFFFAOYSA-N 2 2 324.553 4.070 20 0 DIADLP C[C@@H](CC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000237568294 1038940745 /nfs/dbraw/zinc/94/07/45/1038940745.db2.gz MJQXBHABYZNSKA-SFHVURJKSA-N 2 2 319.452 4.215 20 0 DIADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000078395100 1038942821 /nfs/dbraw/zinc/94/28/21/1038942821.db2.gz AOIJVIFDXAUOFV-HNNXBMFYSA-N 2 2 309.388 4.204 20 0 DIADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000078395100 1038942836 /nfs/dbraw/zinc/94/28/36/1038942836.db2.gz AOIJVIFDXAUOFV-HNNXBMFYSA-N 2 2 309.388 4.204 20 0 DIADLP C[C@@H](CCSc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000122594743 1039108920 /nfs/dbraw/zinc/10/89/20/1039108920.db2.gz HQVHOYIYIALPAK-INIZCTEOSA-N 2 2 315.486 4.091 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)CC[N@@H+]1Cc1ccccc1 ZINC000359100951 1039247616 /nfs/dbraw/zinc/24/76/16/1039247616.db2.gz BLFASJRJGCZVIQ-POAQFYNOSA-N 2 2 324.468 4.300 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)CC[N@H+]1Cc1ccccc1 ZINC000359100951 1039247625 /nfs/dbraw/zinc/24/76/25/1039247625.db2.gz BLFASJRJGCZVIQ-POAQFYNOSA-N 2 2 324.468 4.300 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000539495864 1039276232 /nfs/dbraw/zinc/27/62/32/1039276232.db2.gz GSHPODPXUJTELE-HRCADAONSA-N 2 2 314.473 4.437 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000539495864 1039276251 /nfs/dbraw/zinc/27/62/51/1039276251.db2.gz GSHPODPXUJTELE-HRCADAONSA-N 2 2 314.473 4.437 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000539495865 1039276809 /nfs/dbraw/zinc/27/68/09/1039276809.db2.gz GSHPODPXUJTELE-JYJNAYRXSA-N 2 2 314.473 4.437 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000539495865 1039276824 /nfs/dbraw/zinc/27/68/24/1039276824.db2.gz GSHPODPXUJTELE-JYJNAYRXSA-N 2 2 314.473 4.437 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C)c2C)cn1 ZINC000126326927 1039294356 /nfs/dbraw/zinc/29/43/56/1039294356.db2.gz IPLNSCUNFZPSOZ-MRXNPFEDSA-N 2 2 320.440 4.043 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000539818135 1039350542 /nfs/dbraw/zinc/35/05/42/1039350542.db2.gz RAKSMCHQYZVOPT-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000539818135 1039350552 /nfs/dbraw/zinc/35/05/52/1039350552.db2.gz RAKSMCHQYZVOPT-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818135 1039350564 /nfs/dbraw/zinc/35/05/64/1039350564.db2.gz RAKSMCHQYZVOPT-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818135 1039350576 /nfs/dbraw/zinc/35/05/76/1039350576.db2.gz RAKSMCHQYZVOPT-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539851778 1039369976 /nfs/dbraw/zinc/36/99/76/1039369976.db2.gz APMZMQSPQRCIRT-AWEZNQCLSA-N 2 2 320.864 4.250 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539851778 1039369990 /nfs/dbraw/zinc/36/99/90/1039369990.db2.gz APMZMQSPQRCIRT-AWEZNQCLSA-N 2 2 320.864 4.250 20 0 DIADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000539856685 1039371003 /nfs/dbraw/zinc/37/10/03/1039371003.db2.gz UXOUGUHEWIURGN-AHRSYUTCSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1Cl ZINC000540410986 1039488356 /nfs/dbraw/zinc/48/83/56/1039488356.db2.gz IVAVOKSYKXUVPY-NEPJUHHUSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1Cl ZINC000540410986 1039488371 /nfs/dbraw/zinc/48/83/71/1039488371.db2.gz IVAVOKSYKXUVPY-NEPJUHHUSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599550 1039712193 /nfs/dbraw/zinc/71/21/93/1039712193.db2.gz JMFCEFDEMQIBPM-ZIAGYGMSSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599550 1039712206 /nfs/dbraw/zinc/71/22/06/1039712206.db2.gz JMFCEFDEMQIBPM-ZIAGYGMSSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089613668 1039777155 /nfs/dbraw/zinc/77/71/55/1039777155.db2.gz FPCQGVIXVTUKBI-XFQAVAEZSA-N 2 2 317.436 4.456 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667694 1039814424 /nfs/dbraw/zinc/81/44/24/1039814424.db2.gz XUTGCUQEUWYAEO-ZWKOTPCHSA-N 2 2 315.505 4.332 20 0 DIADLP C[NH+](C)CCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000491420842 1039842400 /nfs/dbraw/zinc/84/24/00/1039842400.db2.gz CXSMNBDJASFCBP-GOSISDBHSA-N 2 2 320.839 4.110 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)[nH]1 ZINC000092071317 1039867366 /nfs/dbraw/zinc/86/73/66/1039867366.db2.gz XFFBSEODFLYEEY-INIZCTEOSA-N 2 2 307.397 4.049 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)[nH]1 ZINC000092071317 1039867393 /nfs/dbraw/zinc/86/73/93/1039867393.db2.gz XFFBSEODFLYEEY-INIZCTEOSA-N 2 2 307.397 4.049 20 0 DIADLP CCOc1cccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000152239899 1040001424 /nfs/dbraw/zinc/00/14/24/1040001424.db2.gz WHIQXTFIYQDMDK-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP Clc1cscc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000685459587 1040068281 /nfs/dbraw/zinc/06/82/81/1040068281.db2.gz NLYDDCMADMNMOZ-UHFFFAOYSA-N 2 2 323.893 4.290 20 0 DIADLP C[N@H+](CCC[NH2+]Cc1sccc1Cl)Cc1ccccc1 ZINC000310004931 1040104211 /nfs/dbraw/zinc/10/42/11/1040104211.db2.gz UGODDZQRQKWJEC-UHFFFAOYSA-N 2 2 308.878 4.013 20 0 DIADLP C[N@@H+](CCC[NH2+]Cc1sccc1Cl)Cc1ccccc1 ZINC000310004931 1040104219 /nfs/dbraw/zinc/10/42/19/1040104219.db2.gz UGODDZQRQKWJEC-UHFFFAOYSA-N 2 2 308.878 4.013 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)[C@@H](C)C2 ZINC000493223766 1040139772 /nfs/dbraw/zinc/13/97/72/1040139772.db2.gz CMMIGESYKDFIBL-KKSFZXQISA-N 2 2 317.436 4.204 20 0 DIADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000685612792 1040158667 /nfs/dbraw/zinc/15/86/67/1040158667.db2.gz BGVHYUQAIOADPB-OXQOHEQNSA-N 2 2 309.457 4.013 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000685617337 1040161580 /nfs/dbraw/zinc/16/15/80/1040161580.db2.gz JWBBNCYIROJZKN-HQRMLTQVSA-N 2 2 323.484 4.286 20 0 DIADLP CCC(CC)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)SC ZINC000318446180 1040678018 /nfs/dbraw/zinc/67/80/18/1040678018.db2.gz QJGRVNTUFUDYNL-HNNXBMFYSA-N 2 2 317.502 4.445 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590268 1040722994 /nfs/dbraw/zinc/72/29/94/1040722994.db2.gz MUSNMWADQZDBRX-JHJVBQTASA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590268 1040723007 /nfs/dbraw/zinc/72/30/07/1040723007.db2.gz MUSNMWADQZDBRX-JHJVBQTASA-N 2 2 313.272 4.271 20 0 DIADLP CC[C@H](C)[C@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000179992427 1041522030 /nfs/dbraw/zinc/52/20/30/1041522030.db2.gz AEOSEVRYXKHGGT-HOTGVXAUSA-N 2 2 303.494 4.064 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C2CC2)cc1 ZINC000417352656 1041661882 /nfs/dbraw/zinc/66/18/82/1041661882.db2.gz GPQUJHHTBUIHBV-MRXNPFEDSA-N 2 2 321.468 4.279 20 0 DIADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H](c3ccccc3)[C@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC001170715304 1041744310 /nfs/dbraw/zinc/74/43/10/1041744310.db2.gz GEMZDEHOEYMLOF-FDKIHUSFSA-N 2 2 320.480 4.452 20 0 DIADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000651741627 1041900268 /nfs/dbraw/zinc/90/02/68/1041900268.db2.gz QJKTUGFJUHGUSQ-FFZOFVMBSA-N 2 2 315.505 4.165 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651750195 1041901876 /nfs/dbraw/zinc/90/18/76/1041901876.db2.gz ZZKYGVUVRBKBNU-KRWDZBQOSA-N 2 2 311.473 4.131 20 0 DIADLP CCc1ccc([C@@H](C[NH2+]C2CC(C(F)F)C2)[NH+](CC)CC)cc1 ZINC000816620289 1042075107 /nfs/dbraw/zinc/07/51/07/1042075107.db2.gz PQLFKSPRIHZSID-DAWZGUTISA-N 2 2 324.459 4.265 20 0 DIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817893714 1042128104 /nfs/dbraw/zinc/12/81/04/1042128104.db2.gz GWWLTCUOACMBRP-ILXRZTDVSA-N 2 2 317.502 4.258 20 0 DIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(SC(F)F)cc1 ZINC000817955079 1042131060 /nfs/dbraw/zinc/13/10/60/1042131060.db2.gz QBIUIMNTVSWDQU-BLLLJJGKSA-N 2 2 322.424 4.352 20 0 DIADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(SC(F)F)cc1 ZINC000817955082 1042131459 /nfs/dbraw/zinc/13/14/59/1042131459.db2.gz QBIUIMNTVSWDQU-WBMJQRKESA-N 2 2 322.424 4.352 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000317225091 1042216702 /nfs/dbraw/zinc/21/67/02/1042216702.db2.gz HZXDDOGZNBDRSD-LRDDRELGSA-N 2 2 323.843 4.441 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877269 1042236250 /nfs/dbraw/zinc/23/62/50/1042236250.db2.gz RXCCEYTUAUWVAP-APWZRJJASA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877269 1042236257 /nfs/dbraw/zinc/23/62/57/1042236257.db2.gz RXCCEYTUAUWVAP-APWZRJJASA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000822812805 1042302223 /nfs/dbraw/zinc/30/22/23/1042302223.db2.gz NAFRNEGTVYGSIF-TZMCWYRMSA-N 2 2 324.255 4.107 20 0 DIADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000152091175 1042413509 /nfs/dbraw/zinc/41/35/09/1042413509.db2.gz SENQJNPXSLMTAN-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000152228484 1042434316 /nfs/dbraw/zinc/43/43/16/1042434316.db2.gz UESSNTIRYVEPFC-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP CC(C)CCCC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000894142333 1042469152 /nfs/dbraw/zinc/46/91/52/1042469152.db2.gz OTAKKAVJZFKHGB-UHFFFAOYSA-N 2 2 320.443 4.208 20 0 DIADLP Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000052185312 1042477629 /nfs/dbraw/zinc/47/76/29/1042477629.db2.gz RQISZVGKHSVCAE-UHFFFAOYSA-N 2 2 318.424 4.019 20 0 DIADLP c1cn(Cc2ccc(C[NH2+]C3CC4(C3)CCCCC4)cc2)c[nH+]1 ZINC000421334880 1042631432 /nfs/dbraw/zinc/63/14/32/1042631432.db2.gz QYVYMHQSJBOATJ-UHFFFAOYSA-N 2 2 309.457 4.134 20 0 DIADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccncc1Cl ZINC000421821831 1042653219 /nfs/dbraw/zinc/65/32/19/1042653219.db2.gz UKKZWNZBCCMNMI-AWEZNQCLSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccncc1Cl ZINC000421821831 1042653220 /nfs/dbraw/zinc/65/32/20/1042653220.db2.gz UKKZWNZBCCMNMI-AWEZNQCLSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271992415 1042674804 /nfs/dbraw/zinc/67/48/04/1042674804.db2.gz MGCGKGJMJXKZKA-INIZCTEOSA-N 2 2 303.409 4.212 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(Cl)cc1Cl ZINC000422737364 1042688943 /nfs/dbraw/zinc/68/89/43/1042688943.db2.gz XMPZTVRQEXDEJO-GKDVJIACSA-N 2 2 317.235 4.066 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422785027 1042689973 /nfs/dbraw/zinc/68/99/73/1042689973.db2.gz QMQLOFAFUAXWTB-GQIGUUNPSA-N 2 2 324.468 4.153 20 0 DIADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(F)ccc1F ZINC000422919979 1042693131 /nfs/dbraw/zinc/69/31/31/1042693131.db2.gz LIAOQQRJEYIGFF-FGTMMUONSA-N 2 2 302.368 4.150 20 0 DIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCS2 ZINC000423239328 1042700428 /nfs/dbraw/zinc/70/04/28/1042700428.db2.gz JVCWYWSVYQHVNL-MSOLQXFVSA-N 2 2 312.482 4.130 20 0 DIADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423241198 1042701869 /nfs/dbraw/zinc/70/18/69/1042701869.db2.gz LCXJJMHRCAKEFO-RDTXWAMCSA-N 2 2 300.471 4.149 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000423230945 1042702096 /nfs/dbraw/zinc/70/20/96/1042702096.db2.gz ABIRMSKXAPHGQK-RTWAWAEBSA-N 2 2 323.484 4.336 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000423230943 1042702594 /nfs/dbraw/zinc/70/25/94/1042702594.db2.gz ABIRMSKXAPHGQK-LEWJYISDSA-N 2 2 323.484 4.336 20 0 DIADLP [NH3+][C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC000423254284 1042703131 /nfs/dbraw/zinc/70/31/31/1042703131.db2.gz ZTOGPBSDGMLHKT-QZTJIDSGSA-N 2 2 300.833 4.081 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423370551 1042708790 /nfs/dbraw/zinc/70/87/90/1042708790.db2.gz GYZLUHBNSWHJNN-KXUCPTDWSA-N 2 2 321.679 4.438 20 0 DIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccccc21 ZINC000423513159 1042717457 /nfs/dbraw/zinc/71/74/57/1042717457.db2.gz VIEOXJMWUXYKML-QZTJIDSGSA-N 2 2 312.482 4.076 20 0 DIADLP Clc1cccc([C@H]2CC[C@@H]([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000515217192 1042813148 /nfs/dbraw/zinc/81/31/48/1042813148.db2.gz ZZBUSHCMAMZANE-FUHWJXTLSA-N 2 2 317.864 4.243 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1C ZINC000608061353 1042975923 /nfs/dbraw/zinc/97/59/23/1042975923.db2.gz QHDRGCNEVYWJHJ-CJNGLKHVSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC[N@H+]1C ZINC000608061353 1042975924 /nfs/dbraw/zinc/97/59/24/1042975924.db2.gz QHDRGCNEVYWJHJ-CJNGLKHVSA-N 2 2 318.848 4.172 20 0 DIADLP c1cn(CCCC[NH2+][C@@H]2CCc3cccc4cccc2c43)c[nH+]1 ZINC000866238322 1043164425 /nfs/dbraw/zinc/16/44/25/1043164425.db2.gz OOGFETZMGGPDSJ-LJQANCHMSA-N 2 2 305.425 4.094 20 0 DIADLP COC(C)(C)[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000645411216 1043239565 /nfs/dbraw/zinc/23/95/65/1043239565.db2.gz XSLLNHFBPLPSDS-DLBZAZTESA-N 2 2 318.505 4.053 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000665228790 1043290636 /nfs/dbraw/zinc/29/06/36/1043290636.db2.gz HIWKYHNFJUHZLG-HOTGVXAUSA-N 2 2 307.224 4.228 20 0 DIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194854954 1043294449 /nfs/dbraw/zinc/29/44/49/1043294449.db2.gz OVKPADVTUWLIDA-KRWDZBQOSA-N 2 2 324.468 4.016 20 0 DIADLP Cc1cncc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000427840890 1043307914 /nfs/dbraw/zinc/30/79/14/1043307914.db2.gz HMMOZVQFASSGMV-WIYYLYMNSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1cncc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000427840890 1043307920 /nfs/dbraw/zinc/30/79/20/1043307920.db2.gz HMMOZVQFASSGMV-WIYYLYMNSA-N 2 2 323.484 4.095 20 0 DIADLP CCCc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427853837 1043309407 /nfs/dbraw/zinc/30/94/07/1043309407.db2.gz XZZALJXVQLGKHB-UYAOXDASSA-N 2 2 311.473 4.137 20 0 DIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)CC2 ZINC000427875132 1043309754 /nfs/dbraw/zinc/30/97/54/1043309754.db2.gz JGTJJTQXGHVPPB-ICSRJNTNSA-N 2 2 309.457 4.109 20 0 DIADLP CCCc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427853833 1043310543 /nfs/dbraw/zinc/31/05/43/1043310543.db2.gz XZZALJXVQLGKHB-ICSRJNTNSA-N 2 2 311.473 4.137 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427871297 1043311632 /nfs/dbraw/zinc/31/16/32/1043311632.db2.gz AGNIGWFJOGGKOB-GJZGRUSLSA-N 2 2 323.440 4.166 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)cc1 ZINC000427872221 1043311742 /nfs/dbraw/zinc/31/17/42/1043311742.db2.gz JIICLSFQPVGLBI-OXJNMPFZSA-N 2 2 317.436 4.216 20 0 DIADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427859852 1043312050 /nfs/dbraw/zinc/31/20/50/1043312050.db2.gz PDZCKULDZBRABJ-WFASDCNBSA-N 2 2 324.255 4.246 20 0 DIADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000268760109 1043326769 /nfs/dbraw/zinc/32/67/69/1043326769.db2.gz KYQXIUILDOQZJN-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268740921 1043326987 /nfs/dbraw/zinc/32/69/87/1043326987.db2.gz DDGQFBCOJRUVRM-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268739124 1043327838 /nfs/dbraw/zinc/32/78/38/1043327838.db2.gz CKNLFLSSYJKCBV-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000665263436 1043334215 /nfs/dbraw/zinc/33/42/15/1043334215.db2.gz MFPDUYJCMATMFN-CVEARBPZSA-N 2 2 307.224 4.228 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012142 1043338027 /nfs/dbraw/zinc/33/80/27/1043338027.db2.gz WVBVYRMJTXFICE-DMUMMCEESA-N 2 2 323.484 4.174 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012142 1043338038 /nfs/dbraw/zinc/33/80/38/1043338038.db2.gz WVBVYRMJTXFICE-DMUMMCEESA-N 2 2 323.484 4.174 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000442777051 1043416015 /nfs/dbraw/zinc/41/60/15/1043416015.db2.gz FOVAHAXWYBDWOR-HUUCEWRRSA-N 2 2 315.486 4.142 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccsc1Cl ZINC000349133991 1043494561 /nfs/dbraw/zinc/49/45/61/1043494561.db2.gz WDINHEDTLKRNAM-UHFFFAOYSA-N 2 2 311.882 4.073 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccsc1Cl ZINC000349133991 1043494569 /nfs/dbraw/zinc/49/45/69/1043494569.db2.gz WDINHEDTLKRNAM-UHFFFAOYSA-N 2 2 311.882 4.073 20 0 DIADLP Clc1sccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349344543 1043503838 /nfs/dbraw/zinc/50/38/38/1043503838.db2.gz HMZXRJCVHWIWQS-UHFFFAOYSA-N 2 2 323.893 4.290 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349373521 1043504818 /nfs/dbraw/zinc/50/48/18/1043504818.db2.gz XBNYKSFUZHDWBC-UHFFFAOYSA-N 2 2 315.436 4.023 20 0 DIADLP CCc1[nH+]c2ccccc2c(N2CCC(n3cc[nH+]c3)CC2)c1C ZINC000558446036 1043511661 /nfs/dbraw/zinc/51/16/61/1043511661.db2.gz DBHHBKWNDXPCTM-UHFFFAOYSA-N 2 2 320.440 4.144 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014468 1043547272 /nfs/dbraw/zinc/54/72/72/1043547272.db2.gz BOUPWZLIOQKLCC-WOJBJXKFSA-N 2 2 314.517 4.455 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014468 1043547279 /nfs/dbraw/zinc/54/72/79/1043547279.db2.gz BOUPWZLIOQKLCC-WOJBJXKFSA-N 2 2 314.517 4.455 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014457 1043547783 /nfs/dbraw/zinc/54/77/83/1043547783.db2.gz BOUPWZLIOQKLCC-UXHICEINSA-N 2 2 314.517 4.455 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000718014457 1043547793 /nfs/dbraw/zinc/54/77/93/1043547793.db2.gz BOUPWZLIOQKLCC-UXHICEINSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718013893 1043547841 /nfs/dbraw/zinc/54/78/41/1043547841.db2.gz DNMNDADXDWQWCU-QMMLZNLJSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718013893 1043547851 /nfs/dbraw/zinc/54/78/51/1043547851.db2.gz DNMNDADXDWQWCU-QMMLZNLJSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718016402 1043548230 /nfs/dbraw/zinc/54/82/30/1043548230.db2.gz GVHRJJYBMHDQKE-UXPWSPDFSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718016402 1043548242 /nfs/dbraw/zinc/54/82/42/1043548242.db2.gz GVHRJJYBMHDQKE-UXPWSPDFSA-N 2 2 314.517 4.311 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC000718021754 1043551712 /nfs/dbraw/zinc/55/17/12/1043551712.db2.gz TYEHYRXUFDLKOQ-OAQYLSRUSA-N 2 2 314.517 4.457 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC000718021754 1043551722 /nfs/dbraw/zinc/55/17/22/1043551722.db2.gz TYEHYRXUFDLKOQ-OAQYLSRUSA-N 2 2 314.517 4.457 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCC(F)(F)CC1 ZINC000353245057 1043593794 /nfs/dbraw/zinc/59/37/94/1043593794.db2.gz RTHQDRSEDXDEFN-AWEZNQCLSA-N 2 2 319.399 4.176 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C)c1 ZINC000353408600 1043604564 /nfs/dbraw/zinc/60/45/64/1043604564.db2.gz UCWSMQFMLFUIKB-OAQYLSRUSA-N 2 2 319.452 4.481 20 0 DIADLP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccoc1 ZINC001168024387 1043644323 /nfs/dbraw/zinc/64/43/23/1043644323.db2.gz FVSLNLUALBCHAL-ULQDDVLXSA-N 2 2 312.457 4.372 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000474156725 1043675754 /nfs/dbraw/zinc/67/57/54/1043675754.db2.gz GBUACYWGNDHIEE-IBGZPJMESA-N 2 2 311.473 4.350 20 0 DIADLP CC[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000777696635 1043763751 /nfs/dbraw/zinc/76/37/51/1043763751.db2.gz SKUBSZKTLNXWES-FQEVSTJZSA-N 2 2 315.505 4.065 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CCSCC1)c1ccccc1 ZINC000474481563 1043797348 /nfs/dbraw/zinc/79/73/48/1043797348.db2.gz INHKRZGABNPARA-APWZRJJASA-N 2 2 320.546 4.191 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCCc3ccccc31)CCC2 ZINC000356614538 1043854578 /nfs/dbraw/zinc/85/45/78/1043854578.db2.gz AEYDWZYJRXGTSN-MJGOQNOKSA-N 2 2 309.457 4.126 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000237385213 1043901480 /nfs/dbraw/zinc/90/14/80/1043901480.db2.gz PCKFPJJZBFRYFX-MRXNPFEDSA-N 2 2 321.468 4.387 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000474795397 1043918451 /nfs/dbraw/zinc/91/84/51/1043918451.db2.gz IKLUDZZQAIIRMX-SJORKVTESA-N 2 2 324.553 4.070 20 0 DIADLP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000290142610 1043922195 /nfs/dbraw/zinc/92/21/95/1043922195.db2.gz CFYAGDZLPHPEBU-KSZLIROESA-N 2 2 317.521 4.411 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@H](C)C1CCCCC1)CCC2 ZINC000474806047 1043924998 /nfs/dbraw/zinc/92/49/98/1043924998.db2.gz CXAIERALLYODOG-BQFCYCMXSA-N 2 2 303.494 4.263 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCCCC1 ZINC000561393528 1043944126 /nfs/dbraw/zinc/94/41/26/1043944126.db2.gz WKVSRVTXNHJAEB-QGZVFWFLSA-N 2 2 311.473 4.380 20 0 DIADLP Clc1ccc2c(NCc3ccn4cc[nH+]c4c3)cc[nH+]c2c1 ZINC000357444061 1043951299 /nfs/dbraw/zinc/95/12/99/1043951299.db2.gz XMYOCTHIEXEDPS-UHFFFAOYSA-N 2 2 308.772 4.148 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000561746350 1044001242 /nfs/dbraw/zinc/00/12/42/1044001242.db2.gz RCYUMVUHMOEUCK-SFHVURJKSA-N 2 2 319.452 4.292 20 0 DIADLP CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000561987896 1044043464 /nfs/dbraw/zinc/04/34/64/1044043464.db2.gz ORGKVMFVTFEFON-NRFANRHFSA-N 2 2 319.452 4.042 20 0 DIADLP C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358353264 1044058444 /nfs/dbraw/zinc/05/84/44/1044058444.db2.gz JUSPIEMPBFCIAV-MGPUTAFESA-N 2 2 318.424 4.069 20 0 DIADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC001649175939 1044112625 /nfs/dbraw/zinc/11/26/25/1044112625.db2.gz RXWFFJKKFWLZPW-NSHDSACASA-N 2 2 321.317 4.265 20 0 DIADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC001649175939 1044112620 /nfs/dbraw/zinc/11/26/20/1044112620.db2.gz RXWFFJKKFWLZPW-NSHDSACASA-N 2 2 321.317 4.265 20 0 DIADLP C[C@@H]([NH3+])CCc1ccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)cc1 ZINC000629733121 1044166883 /nfs/dbraw/zinc/16/68/83/1044166883.db2.gz ZJUKBFZPDNGGEL-OAHLLOKOSA-N 2 2 323.415 4.017 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1sccc1Cl ZINC000883180597 1044229027 /nfs/dbraw/zinc/22/90/27/1044229027.db2.gz GQCKIEODEAAKEF-HNNXBMFYSA-N 2 2 312.910 4.459 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386385 1044298835 /nfs/dbraw/zinc/29/88/35/1044298835.db2.gz FFBVOVLHDIFQET-WBVHZDCISA-N 2 2 311.454 4.345 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386383 1044299453 /nfs/dbraw/zinc/29/94/53/1044299453.db2.gz FFBVOVLHDIFQET-NVXWUHKLSA-N 2 2 311.454 4.345 20 0 DIADLP CCc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883387301 1044299739 /nfs/dbraw/zinc/29/97/39/1044299739.db2.gz VHZWYTBMCZYVDA-YJBOKZPZSA-N 2 2 309.413 4.131 20 0 DIADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387560 1044299785 /nfs/dbraw/zinc/29/97/85/1044299785.db2.gz ZQHVKWJLBROTFP-UXHICEINSA-N 2 2 321.399 4.041 20 0 DIADLP CCc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883387299 1044300077 /nfs/dbraw/zinc/30/00/77/1044300077.db2.gz VHZWYTBMCZYVDA-MAUKXSAKSA-N 2 2 309.413 4.131 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)o1 ZINC000883386675 1044300346 /nfs/dbraw/zinc/30/03/46/1044300346.db2.gz LCAGSODSGRAQTB-KXBFYZLASA-N 2 2 309.413 4.185 20 0 DIADLP FC(F)C1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387986 1044303654 /nfs/dbraw/zinc/30/36/54/1044303654.db2.gz JXTKHMWEUBODBN-JCYILVPMSA-N 2 2 319.399 4.038 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000883387618 1044303862 /nfs/dbraw/zinc/30/38/62/1044303862.db2.gz ALUUTXPBXMOMAF-CZAAIQMYSA-N 2 2 317.436 4.463 20 0 DIADLP c1cn(CCCC2CC[NH+](CCCc3ccsc3)CC2)c[nH+]1 ZINC000361073457 1044356860 /nfs/dbraw/zinc/35/68/60/1044356860.db2.gz OFUVGBRGRHWZIE-UHFFFAOYSA-N 2 2 317.502 4.070 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361099078 1044360649 /nfs/dbraw/zinc/36/06/49/1044360649.db2.gz YKFRVTGVZNHVHA-APWZRJJASA-N 2 2 317.436 4.253 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000361484401 1044407537 /nfs/dbraw/zinc/40/75/37/1044407537.db2.gz JDLOBDYSHFPIII-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccccc1Cl)CCC2 ZINC000361650480 1044428916 /nfs/dbraw/zinc/42/89/16/1044428916.db2.gz BBMAXDURBBXTMT-ZIAGYGMSSA-N 2 2 303.837 4.073 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H](C)c3ccccc31)CCC2 ZINC000361664745 1044429274 /nfs/dbraw/zinc/42/92/74/1044429274.db2.gz PHTRBXFNWDRFPY-QOKNQOGYSA-N 2 2 309.457 4.297 20 0 DIADLP CSc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001142031295 1044462698 /nfs/dbraw/zinc/46/26/98/1044462698.db2.gz DUHSFTORZJVWKH-UHFFFAOYSA-N 2 2 324.559 4.309 20 0 DIADLP CSc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001142031295 1044462701 /nfs/dbraw/zinc/46/27/01/1044462701.db2.gz DUHSFTORZJVWKH-UHFFFAOYSA-N 2 2 324.559 4.309 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000295592076 1044543955 /nfs/dbraw/zinc/54/39/55/1044543955.db2.gz FGBMYDSFFWTGQD-JKSUJKDBSA-N 2 2 303.494 4.021 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000295698410 1044553412 /nfs/dbraw/zinc/55/34/12/1044553412.db2.gz MDNYLEGYNRQVGK-AXVVYFOYSA-N 2 2 315.505 4.021 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2cccs2)cc1 ZINC000444653755 1044585639 /nfs/dbraw/zinc/58/56/39/1044585639.db2.gz MXDKJHJKSOHODL-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2cccs2)cc1 ZINC000444653755 1044585649 /nfs/dbraw/zinc/58/56/49/1044585649.db2.gz MXDKJHJKSOHODL-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP Cc1cc[nH+]c(C(C)C)c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212805977 1044612244 /nfs/dbraw/zinc/61/22/44/1044612244.db2.gz GNSJJYWRTVMVAH-UHFFFAOYSA-N 2 2 313.445 4.197 20 0 DIADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000568334044 1044616535 /nfs/dbraw/zinc/61/65/35/1044616535.db2.gz QTMCOKAPUWAWCF-IFXJQAMLSA-N 2 2 309.413 4.000 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000444780444 1044620166 /nfs/dbraw/zinc/62/01/66/1044620166.db2.gz FFCSCYHCZIQDFJ-HOCLYGCPSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000444780444 1044620171 /nfs/dbraw/zinc/62/01/71/1044620171.db2.gz FFCSCYHCZIQDFJ-HOCLYGCPSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)CCC2 ZINC000366209541 1044714369 /nfs/dbraw/zinc/71/43/69/1044714369.db2.gz LGTUTCFORWJASY-STQMWFEESA-N 2 2 321.827 4.212 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc3ccccc3o1)CCC2 ZINC000366236835 1044716565 /nfs/dbraw/zinc/71/65/65/1044716565.db2.gz VJIOADRMBUKFTJ-HOCLYGCPSA-N 2 2 309.413 4.166 20 0 DIADLP CC(C)[NH+](CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C(C)C ZINC000569914044 1044721954 /nfs/dbraw/zinc/72/19/54/1044721954.db2.gz FEJRGABHONDIBM-GOSISDBHSA-N 2 2 320.525 4.130 20 0 DIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cscc1C(F)(F)F ZINC000356132744 1044741831 /nfs/dbraw/zinc/74/18/31/1044741831.db2.gz WEKWFQLUOSLMCD-ZDUSSCGKSA-N 2 2 320.424 4.073 20 0 DIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cscc1C(F)(F)F ZINC000356132744 1044741846 /nfs/dbraw/zinc/74/18/46/1044741846.db2.gz WEKWFQLUOSLMCD-ZDUSSCGKSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cscc1C(F)(F)F ZINC000356132744 1044741857 /nfs/dbraw/zinc/74/18/57/1044741857.db2.gz WEKWFQLUOSLMCD-ZDUSSCGKSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cscc1C(F)(F)F ZINC000356132744 1044741872 /nfs/dbraw/zinc/74/18/72/1044741872.db2.gz WEKWFQLUOSLMCD-ZDUSSCGKSA-N 2 2 320.424 4.073 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)cn1 ZINC000126300810 1044810750 /nfs/dbraw/zinc/81/07/50/1044810750.db2.gz FRNPJFNXKLRWMM-MRXNPFEDSA-N 2 2 320.440 4.043 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424725 1044898385 /nfs/dbraw/zinc/89/83/85/1044898385.db2.gz CISYCUPXLXZBLP-FUHWJXTLSA-N 2 2 309.457 4.160 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424725 1044898403 /nfs/dbraw/zinc/89/84/03/1044898403.db2.gz CISYCUPXLXZBLP-FUHWJXTLSA-N 2 2 309.457 4.160 20 0 DIADLP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524744 1044917228 /nfs/dbraw/zinc/91/72/28/1044917228.db2.gz VOEMRQZVFZJOBR-HBMCJLEFSA-N 2 2 323.484 4.158 20 0 DIADLP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524744 1044917242 /nfs/dbraw/zinc/91/72/42/1044917242.db2.gz VOEMRQZVFZJOBR-HBMCJLEFSA-N 2 2 323.484 4.158 20 0 DIADLP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524744 1044917255 /nfs/dbraw/zinc/91/72/55/1044917255.db2.gz VOEMRQZVFZJOBR-HBMCJLEFSA-N 2 2 323.484 4.158 20 0 DIADLP CC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524744 1044917269 /nfs/dbraw/zinc/91/72/69/1044917269.db2.gz VOEMRQZVFZJOBR-HBMCJLEFSA-N 2 2 323.484 4.158 20 0 DIADLP c1coc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CCCC2)c1 ZINC000337621517 1044930329 /nfs/dbraw/zinc/93/03/29/1044930329.db2.gz GJTMSXNDMHPZCY-UHFFFAOYSA-N 2 2 321.424 4.410 20 0 DIADLP c1coc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CCCC2)c1 ZINC000337621517 1044930357 /nfs/dbraw/zinc/93/03/57/1044930357.db2.gz GJTMSXNDMHPZCY-UHFFFAOYSA-N 2 2 321.424 4.410 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000525283253 1045028112 /nfs/dbraw/zinc/02/81/12/1045028112.db2.gz UZYOJGURUPOKQO-KSSFIOAISA-N 2 2 310.432 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000525283253 1045028123 /nfs/dbraw/zinc/02/81/23/1045028123.db2.gz UZYOJGURUPOKQO-KSSFIOAISA-N 2 2 310.432 4.080 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151695807 1045030257 /nfs/dbraw/zinc/03/02/57/1045030257.db2.gz DGKBEEDVQDBESL-VLIAUNLRSA-N 2 2 321.399 4.350 20 0 DIADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000151715304 1045030391 /nfs/dbraw/zinc/03/03/91/1045030391.db2.gz QCWYCIBZOIUOQU-CVEARBPZSA-N 2 2 323.444 4.062 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151695618 1045030984 /nfs/dbraw/zinc/03/09/84/1045030984.db2.gz DGKBEEDVQDBESL-VBKZILBWSA-N 2 2 321.399 4.350 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCc3sccc32)c[nH+]1 ZINC000152252573 1045038269 /nfs/dbraw/zinc/03/82/69/1045038269.db2.gz HNXGCJBIFPPOAD-MRXNPFEDSA-N 2 2 309.438 4.101 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(OC)cc1 ZINC000152236420 1045039555 /nfs/dbraw/zinc/03/95/55/1045039555.db2.gz HOVJJQUYOGFDFU-IBGZPJMESA-N 2 2 321.424 4.122 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000446824375 1045047103 /nfs/dbraw/zinc/04/71/03/1045047103.db2.gz SXBYBMHLKZYQHK-IBGZPJMESA-N 2 2 309.388 4.252 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000374574381 1045072361 /nfs/dbraw/zinc/07/23/61/1045072361.db2.gz GWGUHAOJVMPMEG-KGLIPLIRSA-N 2 2 303.475 4.044 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000374574383 1045072618 /nfs/dbraw/zinc/07/26/18/1045072618.db2.gz GWGUHAOJVMPMEG-ZIAGYGMSSA-N 2 2 303.475 4.044 20 0 DIADLP C/C(=C/c1ccccc1)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447088873 1045092757 /nfs/dbraw/zinc/09/27/57/1045092757.db2.gz UQOXPHVONUZFRP-VKAVYKQESA-N 2 2 322.452 4.337 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@@H+]1C ZINC000525709177 1045113372 /nfs/dbraw/zinc/11/33/72/1045113372.db2.gz ZAUWBFWMOILPMO-UONOGXRCSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@H+]1C ZINC000525709177 1045113381 /nfs/dbraw/zinc/11/33/81/1045113381.db2.gz ZAUWBFWMOILPMO-UONOGXRCSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355680 1045221222 /nfs/dbraw/zinc/22/12/22/1045221222.db2.gz HMBCOINAAMTLIB-ZFWWWQNUSA-N 2 2 303.837 4.046 20 0 DIADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355680 1045221234 /nfs/dbraw/zinc/22/12/34/1045221234.db2.gz HMBCOINAAMTLIB-ZFWWWQNUSA-N 2 2 303.837 4.046 20 0 DIADLP CC(C)c1cccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000527844492 1045267587 /nfs/dbraw/zinc/26/75/87/1045267587.db2.gz AVBOQOBCPNDLHM-MRXNPFEDSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1coc3ccccc13)CCC2 ZINC000449166044 1045356563 /nfs/dbraw/zinc/35/65/63/1045356563.db2.gz BLGBZGBZQCXJLM-ZBFHGGJFSA-N 2 2 323.440 4.036 20 0 DIADLP Fc1ccc(C2CC2)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449372322 1045383246 /nfs/dbraw/zinc/38/32/46/1045383246.db2.gz GFOKLQMBJMSLRW-UHFFFAOYSA-N 2 2 321.399 4.179 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528567 1045488572 /nfs/dbraw/zinc/48/85/72/1045488572.db2.gz KCQOHGOXNSRRFG-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528567 1045488574 /nfs/dbraw/zinc/48/85/74/1045488574.db2.gz KCQOHGOXNSRRFG-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528567 1045488577 /nfs/dbraw/zinc/48/85/77/1045488577.db2.gz KCQOHGOXNSRRFG-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)C[C@H]1C ZINC000529528567 1045488580 /nfs/dbraw/zinc/48/85/80/1045488580.db2.gz KCQOHGOXNSRRFG-DGCLKSJQSA-N 2 2 320.424 4.072 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000628215650 1045546732 /nfs/dbraw/zinc/54/67/32/1045546732.db2.gz PPEIQTYQKMXYMB-KBPBESRZSA-N 2 2 310.432 4.139 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@H]1CC2CCC1CC2 ZINC000381536445 1045569094 /nfs/dbraw/zinc/56/90/94/1045569094.db2.gz QSWKJOLBVFOVIN-VVLHZNOGSA-N 2 2 303.494 4.102 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878023 1045584272 /nfs/dbraw/zinc/58/42/72/1045584272.db2.gz SCYWBYYHRVHRFZ-QFBILLFUSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccoc1 ZINC000390878023 1045584284 /nfs/dbraw/zinc/58/42/84/1045584284.db2.gz SCYWBYYHRVHRFZ-QFBILLFUSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1csc(Cl)c1 ZINC000191218777 1045667029 /nfs/dbraw/zinc/66/70/29/1045667029.db2.gz XAWPVBJGVBNLGX-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC000629731281 1045702328 /nfs/dbraw/zinc/70/23/28/1045702328.db2.gz IEXBNTLBNSGCJE-HXUWFJFHSA-N 2 2 321.399 4.162 20 0 DIADLP C[C@H]1C[C@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C[NH2+]1 ZINC000629742103 1045706941 /nfs/dbraw/zinc/70/69/41/1045706941.db2.gz OGLPXILBBIVGKO-KKSFZXQISA-N 2 2 317.436 4.064 20 0 DIADLP Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1[C@@H]1CCC[NH2+]1 ZINC000629741865 1045707542 /nfs/dbraw/zinc/70/75/42/1045707542.db2.gz FYBDYNJGCVMHHP-NRFANRHFSA-N 2 2 317.436 4.331 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000530905330 1045749601 /nfs/dbraw/zinc/74/96/01/1045749601.db2.gz KPHIAWVYWQXKRR-CHWSQXEVSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@H+]1C ZINC000530905330 1045749608 /nfs/dbraw/zinc/74/96/08/1045749608.db2.gz KPHIAWVYWQXKRR-CHWSQXEVSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905330 1045749620 /nfs/dbraw/zinc/74/96/20/1045749620.db2.gz KPHIAWVYWQXKRR-CHWSQXEVSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905330 1045749633 /nfs/dbraw/zinc/74/96/33/1045749633.db2.gz KPHIAWVYWQXKRR-CHWSQXEVSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000530905334 1045750565 /nfs/dbraw/zinc/75/05/65/1045750565.db2.gz KPHIAWVYWQXKRR-OLZOCXBDSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@H+]1C ZINC000530905334 1045750575 /nfs/dbraw/zinc/75/05/75/1045750575.db2.gz KPHIAWVYWQXKRR-OLZOCXBDSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905334 1045750585 /nfs/dbraw/zinc/75/05/85/1045750585.db2.gz KPHIAWVYWQXKRR-OLZOCXBDSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905334 1045750596 /nfs/dbraw/zinc/75/05/96/1045750596.db2.gz KPHIAWVYWQXKRR-OLZOCXBDSA-N 2 2 322.905 4.469 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000453093235 1045932295 /nfs/dbraw/zinc/93/22/95/1045932295.db2.gz TUEVDZQTQVFBPH-GOSISDBHSA-N 2 2 311.454 4.234 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H](C)c3ccsc31)CCC2 ZINC000453126021 1045946736 /nfs/dbraw/zinc/94/67/36/1045946736.db2.gz UEYPRMYNFFSMLE-NOLJZWGESA-N 2 2 315.486 4.359 20 0 DIADLP COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000902886052 1046100276 /nfs/dbraw/zinc/10/02/76/1046100276.db2.gz IXPGXEXWSNUKHG-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894514 1046104404 /nfs/dbraw/zinc/10/44/04/1046104404.db2.gz MCMJEFPRWFQWBN-JKSUJKDBSA-N 2 2 320.440 4.242 20 0 DIADLP C[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000903020225 1046143258 /nfs/dbraw/zinc/14/32/58/1046143258.db2.gz WTIBECZKBUNKCD-CHWSQXEVSA-N 2 2 311.351 4.111 20 0 DIADLP COc1cccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000903057825 1046150466 /nfs/dbraw/zinc/15/04/66/1046150466.db2.gz AWTHFWATRSIHRE-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)c2ccccc21 ZINC000635006602 1046171147 /nfs/dbraw/zinc/17/11/47/1046171147.db2.gz ZKBGEOLDEUOXKP-CHWSQXEVSA-N 2 2 312.360 4.001 20 0 DIADLP Cc1c2ccccc2sc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001138464298 1046191823 /nfs/dbraw/zinc/19/18/23/1046191823.db2.gz VBAZNDBQRHODFK-UHFFFAOYSA-N 2 2 311.454 4.243 20 0 DIADLP CN(C)c1cc[nH+]c(C[NH2+][C@H](c2cccs2)C2CCCC2)c1 ZINC000903201715 1046192399 /nfs/dbraw/zinc/19/23/99/1046192399.db2.gz LPUWUKVCLNGUMB-SFHVURJKSA-N 2 2 315.486 4.230 20 0 DIADLP C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903334960 1046245561 /nfs/dbraw/zinc/24/55/61/1046245561.db2.gz JERZFQCENYLKOL-FOIQADDNSA-N 2 2 318.424 4.069 20 0 DIADLP C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903334962 1046245917 /nfs/dbraw/zinc/24/59/17/1046245917.db2.gz JERZFQCENYLKOL-QRWLVFNGSA-N 2 2 318.424 4.069 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC001138756037 1046250622 /nfs/dbraw/zinc/25/06/22/1046250622.db2.gz VGAXPQXGFLRVJK-UHFFFAOYSA-N 2 2 303.475 4.124 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C2CC2)cc1 ZINC000903380154 1046261329 /nfs/dbraw/zinc/26/13/29/1046261329.db2.gz LBKBDBDTAQVWRM-NHCUHLMSSA-N 2 2 323.484 4.124 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)c2ccccc21 ZINC000903384661 1046262976 /nfs/dbraw/zinc/26/29/76/1046262976.db2.gz SMMOFHOQTZSGKH-HBGVWJBISA-N 2 2 323.484 4.303 20 0 DIADLP Cc1cccc(Cl)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001138721758 1046277343 /nfs/dbraw/zinc/27/73/43/1046277343.db2.gz IXNWKLSYNDOHKJ-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP CCCCc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001138755576 1046288712 /nfs/dbraw/zinc/28/87/12/1046288712.db2.gz QKZLWTWVKCJUBO-UHFFFAOYSA-N 2 2 308.535 4.395 20 0 DIADLP CCCCc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001138755576 1046288721 /nfs/dbraw/zinc/28/87/21/1046288721.db2.gz QKZLWTWVKCJUBO-UHFFFAOYSA-N 2 2 308.535 4.395 20 0 DIADLP Clc1c2ccccc2oc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000637983238 1046289573 /nfs/dbraw/zinc/28/95/73/1046289573.db2.gz MUMYLXCQPNYMLY-UHFFFAOYSA-N 2 2 315.804 4.120 20 0 DIADLP Fc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc12 ZINC000637983587 1046290315 /nfs/dbraw/zinc/29/03/15/1046290315.db2.gz QJXLJYXIMFZAPT-UHFFFAOYSA-N 2 2 309.388 4.013 20 0 DIADLP CC(C)[N@H+](Cc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC001138834957 1046307218 /nfs/dbraw/zinc/30/72/18/1046307218.db2.gz BTEFJWDRKLAKCG-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC001138834957 1046307234 /nfs/dbraw/zinc/30/72/34/1046307234.db2.gz BTEFJWDRKLAKCG-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP [NH3+][C@H](C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)CC(F)F ZINC000903922480 1046339271 /nfs/dbraw/zinc/33/92/71/1046339271.db2.gz XWPYTZUDPGFGCZ-DOTOQJQBSA-N 2 2 324.802 4.002 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3cccs3)s2)CC1 ZINC001139019702 1046362472 /nfs/dbraw/zinc/36/24/72/1046362472.db2.gz XCSMGRJNOVSEPT-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3cccs3)s2)CC1 ZINC001139019702 1046362484 /nfs/dbraw/zinc/36/24/84/1046362484.db2.gz XCSMGRJNOVSEPT-UHFFFAOYSA-N 2 2 320.527 4.393 20 0 DIADLP CC(C)[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168194801 1046383643 /nfs/dbraw/zinc/38/36/43/1046383643.db2.gz ZYOGPGVLDHTOSI-HNNXBMFYSA-N 2 2 308.897 4.076 20 0 DIADLP CC(C)[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168194801 1046383653 /nfs/dbraw/zinc/38/36/53/1046383653.db2.gz ZYOGPGVLDHTOSI-HNNXBMFYSA-N 2 2 308.897 4.076 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000639374706 1046388704 /nfs/dbraw/zinc/38/87/04/1046388704.db2.gz JHASLYQNDDJKQX-UHFFFAOYSA-N 2 2 308.416 4.075 20 0 DIADLP C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780882386 1046410053 /nfs/dbraw/zinc/41/00/53/1046410053.db2.gz MEAHUHJBWIOWRE-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780882386 1046410065 /nfs/dbraw/zinc/41/00/65/1046410065.db2.gz MEAHUHJBWIOWRE-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001139360594 1046436688 /nfs/dbraw/zinc/43/66/88/1046436688.db2.gz XZSUWOQUFAIIBS-UHFFFAOYSA-N 2 2 321.468 4.273 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001139360594 1046436693 /nfs/dbraw/zinc/43/66/93/1046436693.db2.gz XZSUWOQUFAIIBS-UHFFFAOYSA-N 2 2 321.468 4.273 20 0 DIADLP CCCc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000676876578 1046442492 /nfs/dbraw/zinc/44/24/92/1046442492.db2.gz DUGWCKPTDDWBHG-QGZVFWFLSA-N 2 2 320.440 4.225 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C1CC[NH+](C)CC1 ZINC001139416818 1046446618 /nfs/dbraw/zinc/44/66/18/1046446618.db2.gz ZRLXVOPHFMBLMG-UHFFFAOYSA-N 2 2 318.848 4.126 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C1CC[NH+](C)CC1 ZINC001139416818 1046446623 /nfs/dbraw/zinc/44/66/23/1046446623.db2.gz ZRLXVOPHFMBLMG-UHFFFAOYSA-N 2 2 318.848 4.126 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cnc3ccccc3c2)C2CCCC2)CC1 ZINC001137286002 1046469752 /nfs/dbraw/zinc/46/97/52/1046469752.db2.gz RWDPNULZSCFYSG-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cnc3ccccc3c2)C2CCCC2)CC1 ZINC001137286002 1046469758 /nfs/dbraw/zinc/46/97/58/1046469758.db2.gz RWDPNULZSCFYSG-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP CC1(C)C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000677748910 1046519913 /nfs/dbraw/zinc/51/99/13/1046519913.db2.gz CDGSTLJLMFQDJA-DLBZAZTESA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000677748910 1046519923 /nfs/dbraw/zinc/51/99/23/1046519923.db2.gz CDGSTLJLMFQDJA-DLBZAZTESA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000677748913 1046523282 /nfs/dbraw/zinc/52/32/82/1046523282.db2.gz CDGSTLJLMFQDJA-SJORKVTESA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000677748913 1046523287 /nfs/dbraw/zinc/52/32/87/1046523287.db2.gz CDGSTLJLMFQDJA-SJORKVTESA-N 2 2 322.443 4.207 20 0 DIADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000132147155 1046528741 /nfs/dbraw/zinc/52/87/41/1046528741.db2.gz KGYNSIMESZRQNC-HXUWFJFHSA-N 2 2 319.452 4.215 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)c(F)c1 ZINC000536626016 1046539169 /nfs/dbraw/zinc/53/91/69/1046539169.db2.gz VQVNJYVJHJBMMB-ZDUSSCGKSA-N 2 2 321.827 4.417 20 0 DIADLP c1ccc(C2CC2)c(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001139880712 1046539876 /nfs/dbraw/zinc/53/98/76/1046539876.db2.gz JKKQEUBKVPECBL-UHFFFAOYSA-N 2 2 308.425 4.002 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1C1CC1 ZINC001139883590 1046542833 /nfs/dbraw/zinc/54/28/33/1046542833.db2.gz YEDFJVMIHATCLG-UHFFFAOYSA-N 2 2 317.436 4.382 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1C1CC1 ZINC001139883590 1046542837 /nfs/dbraw/zinc/54/28/37/1046542837.db2.gz YEDFJVMIHATCLG-UHFFFAOYSA-N 2 2 317.436 4.382 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC001202986266 1046555990 /nfs/dbraw/zinc/55/59/90/1046555990.db2.gz OWAXHUXTNBYGKK-MDCAWNJWSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC001202986266 1046556000 /nfs/dbraw/zinc/55/60/00/1046556000.db2.gz OWAXHUXTNBYGKK-MDCAWNJWSA-N 2 2 312.501 4.232 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc3ccccc3cn2)C2CCCC2)CC1 ZINC001140003517 1046568330 /nfs/dbraw/zinc/56/83/30/1046568330.db2.gz URKKOQFFWLWROI-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc3ccccc3cn2)C2CCCC2)CC1 ZINC001140003517 1046568346 /nfs/dbraw/zinc/56/83/46/1046568346.db2.gz URKKOQFFWLWROI-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001140022490 1046572312 /nfs/dbraw/zinc/57/23/12/1046572312.db2.gz HQWOYGQMECOORT-MRXNPFEDSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001140022490 1046572318 /nfs/dbraw/zinc/57/23/18/1046572318.db2.gz HQWOYGQMECOORT-MRXNPFEDSA-N 2 2 317.436 4.300 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(O)c1 ZINC000194893653 1046587845 /nfs/dbraw/zinc/58/78/45/1046587845.db2.gz FRPWUQFNVGEHBS-SJORKVTESA-N 2 2 324.468 4.268 20 0 DIADLP C[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000783598582 1046613377 /nfs/dbraw/zinc/61/33/77/1046613377.db2.gz JOVOZDXLQHQKNT-RHSMWYFYSA-N 2 2 319.880 4.345 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000532968540 1046632639 /nfs/dbraw/zinc/63/26/39/1046632639.db2.gz HIJRFUSJZJWLID-HNAYVOBHSA-N 2 2 322.443 4.224 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000532968540 1046632642 /nfs/dbraw/zinc/63/26/42/1046632642.db2.gz HIJRFUSJZJWLID-HNAYVOBHSA-N 2 2 322.443 4.224 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC2(C1)CCCCC2)c1ccccc1 ZINC000643290334 1046656801 /nfs/dbraw/zinc/65/68/01/1046656801.db2.gz PMWPOUMNBZUQPN-LJQANCHMSA-N 2 2 323.484 4.406 20 0 DIADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000678767395 1046697245 /nfs/dbraw/zinc/69/72/45/1046697245.db2.gz INYOZRVLASEMLR-IERDGZPVSA-N 2 2 317.436 4.286 20 0 DIADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000796869938 1046750325 /nfs/dbraw/zinc/75/03/25/1046750325.db2.gz PAQOFDXOWJZTHI-PMACEKPBSA-N 2 2 315.505 4.064 20 0 DIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000678997495 1046752698 /nfs/dbraw/zinc/75/26/98/1046752698.db2.gz KZXXMWTWUKIHCF-XJKSGUPXSA-N 2 2 310.869 4.066 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc(F)cc(Cl)c2)C2CCCC2)CC1 ZINC001140540945 1046775190 /nfs/dbraw/zinc/77/51/90/1046775190.db2.gz SNLFXMYRKQSDEP-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc(F)cc(Cl)c2)C2CCCC2)CC1 ZINC001140540945 1046775204 /nfs/dbraw/zinc/77/52/04/1046775204.db2.gz SNLFXMYRKQSDEP-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406981 1046789198 /nfs/dbraw/zinc/78/91/98/1046789198.db2.gz UWYIDVXMLNZEJU-HOCLYGCPSA-N 2 2 312.432 4.114 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406981 1046789211 /nfs/dbraw/zinc/78/92/11/1046789211.db2.gz UWYIDVXMLNZEJU-HOCLYGCPSA-N 2 2 312.432 4.114 20 0 DIADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)c[nH+]1 ZINC000679579930 1046877205 /nfs/dbraw/zinc/87/72/05/1046877205.db2.gz OPJLVJIHVYVSNB-MRXNPFEDSA-N 2 2 323.396 4.106 20 0 DIADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)c[nH+]1 ZINC000679579930 1046877227 /nfs/dbraw/zinc/87/72/27/1046877227.db2.gz OPJLVJIHVYVSNB-MRXNPFEDSA-N 2 2 323.396 4.106 20 0 DIADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001140800083 1046905224 /nfs/dbraw/zinc/90/52/24/1046905224.db2.gz TUSNNAAAUFCSHH-UHFFFAOYSA-N 2 2 305.425 4.018 20 0 DIADLP Fc1ccc(F)c([C@@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807034 1046911463 /nfs/dbraw/zinc/91/14/63/1046911463.db2.gz IXIALAPKSSDPFV-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc(F)c([C@@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807034 1046911473 /nfs/dbraw/zinc/91/14/73/1046911473.db2.gz IXIALAPKSSDPFV-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000321042663 1046951250 /nfs/dbraw/zinc/95/12/50/1046951250.db2.gz SWWDYWXRYSFLQZ-OAHLLOKOSA-N 2 2 311.429 4.323 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H](C)C1 ZINC000680342242 1046967970 /nfs/dbraw/zinc/96/79/70/1046967970.db2.gz NHGVBOBJNQJCBI-KCITZHQASA-N 2 2 311.473 4.118 20 0 DIADLP C[C@@H]([NH2+]CC1CCC(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000647349192 1046990343 /nfs/dbraw/zinc/99/03/43/1046990343.db2.gz CTBKQJWTDZRVHL-HPUBIQBYSA-N 2 2 301.409 4.051 20 0 DIADLP CC(C)(C)c1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001141102697 1047012425 /nfs/dbraw/zinc/01/24/25/1047012425.db2.gz KPNWAESGWPMSTE-UHFFFAOYSA-N 2 2 300.490 4.044 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000379621102 1047082220 /nfs/dbraw/zinc/08/22/20/1047082220.db2.gz DZTWHHBRZKLUCC-ZBFHGGJFSA-N 2 2 318.848 4.076 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000379621102 1047082234 /nfs/dbraw/zinc/08/22/34/1047082234.db2.gz DZTWHHBRZKLUCC-ZBFHGGJFSA-N 2 2 318.848 4.076 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000379641194 1047093322 /nfs/dbraw/zinc/09/33/22/1047093322.db2.gz CVZDRXYUYSPNIM-DOTOQJQBSA-N 2 2 300.446 4.149 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000379641194 1047093338 /nfs/dbraw/zinc/09/33/38/1047093338.db2.gz CVZDRXYUYSPNIM-DOTOQJQBSA-N 2 2 300.446 4.149 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000536832613 1047112906 /nfs/dbraw/zinc/11/29/06/1047112906.db2.gz JUPAOFCFVGXGSU-MJGOQNOKSA-N 2 2 323.440 4.493 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC001116439196 1047140743 /nfs/dbraw/zinc/14/07/43/1047140743.db2.gz MJAYLMAYNQTCRJ-UHFFFAOYSA-N 2 2 302.487 4.208 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000396980271 1047205136 /nfs/dbraw/zinc/20/51/36/1047205136.db2.gz VEKDACGOVXJAOD-STQMWFEESA-N 2 2 311.351 4.111 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccccc1 ZINC000682732158 1047217469 /nfs/dbraw/zinc/21/74/69/1047217469.db2.gz FUHHIJBHCLAPFB-QZTJIDSGSA-N 2 2 309.457 4.016 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccccc1 ZINC000682732159 1047218123 /nfs/dbraw/zinc/21/81/23/1047218123.db2.gz FUHHIJBHCLAPFB-ROUUACIJSA-N 2 2 309.457 4.016 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccccc21 ZINC000387362863 1047282981 /nfs/dbraw/zinc/28/29/81/1047282981.db2.gz QJELOQDNNYVSJK-DOTOQJQBSA-N 2 2 315.486 4.125 20 0 DIADLP CCOc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000390321765 1047296572 /nfs/dbraw/zinc/29/65/72/1047296572.db2.gz YBFGBBXFIURLFD-QAPCUYQASA-N 2 2 315.461 4.047 20 0 DIADLP C[N@H+](Cc1sccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC001141994533 1047334332 /nfs/dbraw/zinc/33/43/32/1047334332.db2.gz OOPXPPQNTHUCGW-UHFFFAOYSA-N 2 2 316.470 4.066 20 0 DIADLP C[N@@H+](Cc1sccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC001141994533 1047334337 /nfs/dbraw/zinc/33/43/37/1047334337.db2.gz OOPXPPQNTHUCGW-UHFFFAOYSA-N 2 2 316.470 4.066 20 0 DIADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000045105644 1047359021 /nfs/dbraw/zinc/35/90/21/1047359021.db2.gz QOGKVHRHRGSATI-KRWDZBQOSA-N 2 2 305.853 4.448 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841745858 1047448426 /nfs/dbraw/zinc/44/84/26/1047448426.db2.gz BBOZFGSUQURTAU-JCGIZDLHSA-N 2 2 323.465 4.216 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119670556 1047468143 /nfs/dbraw/zinc/46/81/43/1047468143.db2.gz QNIGIACRSTYQFS-ZDUSSCGKSA-N 2 2 322.880 4.016 20 0 DIADLP Clc1ccc(C2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC001168334297 1047481492 /nfs/dbraw/zinc/48/14/92/1047481492.db2.gz PLUHAYDIZXBHHR-UHFFFAOYSA-N 2 2 306.881 4.052 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2csc(Cl)c2)CC1 ZINC001142779959 1047494641 /nfs/dbraw/zinc/49/46/41/1047494641.db2.gz AKLCEPLFFPSRGC-UHFFFAOYSA-N 2 2 300.899 4.098 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2csc(Cl)c2)CC1 ZINC001142779959 1047494645 /nfs/dbraw/zinc/49/46/45/1047494645.db2.gz AKLCEPLFFPSRGC-UHFFFAOYSA-N 2 2 300.899 4.098 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)cc1 ZINC000092648893 1047537850 /nfs/dbraw/zinc/53/78/50/1047537850.db2.gz IDQCAMXEBOELEA-UHFFFAOYSA-N 2 2 321.424 4.289 20 0 DIADLP COc1ccc([C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C2CC2)cc1 ZINC000538062506 1047656330 /nfs/dbraw/zinc/65/63/30/1047656330.db2.gz LHCQUQBKILYMBS-IBGZPJMESA-N 2 2 316.489 4.000 20 0 DIADLP C(=C\[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268239 1047665131 /nfs/dbraw/zinc/66/51/31/1047665131.db2.gz DAWSYRQFXNNLQP-DUQGCJEPSA-N 2 2 309.457 4.231 20 0 DIADLP C(=C\[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268239 1047665133 /nfs/dbraw/zinc/66/51/33/1047665133.db2.gz DAWSYRQFXNNLQP-DUQGCJEPSA-N 2 2 309.457 4.231 20 0 DIADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000538709258 1047698229 /nfs/dbraw/zinc/69/82/29/1047698229.db2.gz XGFZBBCXRQRZNX-GOSISDBHSA-N 2 2 317.502 4.070 20 0 DIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CC(C)C ZINC000552624663 1047784357 /nfs/dbraw/zinc/78/43/57/1047784357.db2.gz RMZZGLIAIKIARO-KRWDZBQOSA-N 2 2 303.494 4.055 20 0 DIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CC(C)C ZINC000552624663 1047784362 /nfs/dbraw/zinc/78/43/62/1047784362.db2.gz RMZZGLIAIKIARO-KRWDZBQOSA-N 2 2 303.494 4.055 20 0 DIADLP c1ccc2c(c1)cc[nH+]c2Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159107628 1047812275 /nfs/dbraw/zinc/81/22/75/1047812275.db2.gz STGOMVSPRJKFPL-UHFFFAOYSA-N 2 2 303.409 4.445 20 0 DIADLP c1cc([C@@H]2CCC[NH2+]2)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001159167892 1047817041 /nfs/dbraw/zinc/81/70/41/1047817041.db2.gz YHOPOARYSRIMKZ-IBGZPJMESA-N 2 2 322.456 4.240 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001182872549 1047855560 /nfs/dbraw/zinc/85/55/60/1047855560.db2.gz DNEXRLCBVMBZIP-SESVDKBCSA-N 2 2 314.517 4.341 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918986 1047857950 /nfs/dbraw/zinc/85/79/50/1047857950.db2.gz UMQYGKGTQXQPSQ-KXBFYZLASA-N 2 2 320.908 4.268 20 0 DIADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182918986 1047857957 /nfs/dbraw/zinc/85/79/57/1047857957.db2.gz UMQYGKGTQXQPSQ-KXBFYZLASA-N 2 2 320.908 4.268 20 0 DIADLP C[C@@H](CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC001182918502 1047865603 /nfs/dbraw/zinc/86/56/03/1047865603.db2.gz OVEHLXKRSIANQU-FXAWDEMLSA-N 2 2 300.490 4.177 20 0 DIADLP C[C@@H](CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001182918502 1047865620 /nfs/dbraw/zinc/86/56/20/1047865620.db2.gz OVEHLXKRSIANQU-FXAWDEMLSA-N 2 2 300.490 4.177 20 0 DIADLP CN(c1ccc(Nc2ccc(CC[NH3+])cc2)c[nH+]1)C1CCCCC1 ZINC001159640134 1047890639 /nfs/dbraw/zinc/89/06/39/1047890639.db2.gz NELHDBSXDAGCDJ-UHFFFAOYSA-N 2 2 324.472 4.095 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816054 1047896567 /nfs/dbraw/zinc/89/65/67/1047896567.db2.gz IXQSODVFKILZEF-STQMWFEESA-N 2 2 306.500 4.036 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816054 1047896581 /nfs/dbraw/zinc/89/65/81/1047896581.db2.gz IXQSODVFKILZEF-STQMWFEESA-N 2 2 306.500 4.036 20 0 DIADLP CN(c1ccc(Nc2ccccc2C[NH3+])c[nH+]1)C1CCCCC1 ZINC001159734806 1047911560 /nfs/dbraw/zinc/91/15/60/1047911560.db2.gz GAEBITMWAURUNU-UHFFFAOYSA-N 2 2 310.445 4.053 20 0 DIADLP [NH3+]C1(c2ccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)CCC1 ZINC001159730250 1047912468 /nfs/dbraw/zinc/91/24/68/1047912468.db2.gz MMIPFNAZSNHYPZ-UHFFFAOYSA-N 2 2 304.397 4.158 20 0 DIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)s1 ZINC000479507292 1047913842 /nfs/dbraw/zinc/91/38/42/1047913842.db2.gz AOPZZQSMUAIPNW-JXQTWKCFSA-N 2 2 312.910 4.459 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000479525946 1047914957 /nfs/dbraw/zinc/91/49/57/1047914957.db2.gz IMUVJRUSLXTOIV-LJQANCHMSA-N 2 2 323.827 4.303 20 0 DIADLP c1cc([C@H]2CC[NH2+]C2)ccc1Nc1ccc([NH+]2CCCC2)cc1 ZINC001159774916 1047920443 /nfs/dbraw/zinc/92/04/43/1047920443.db2.gz AEBMAVQQVGQICF-KRWDZBQOSA-N 2 2 307.441 4.107 20 0 DIADLP Cc1ccc2c(Nc3ccc([C@@H]4CC[NH2+]C4)cc3)cccc2[nH+]1 ZINC001159775991 1047921793 /nfs/dbraw/zinc/92/17/93/1047921793.db2.gz BNAYKFHAUPJDKN-MRXNPFEDSA-N 2 2 303.409 4.364 20 0 DIADLP CCSc1ccccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479553093 1047927492 /nfs/dbraw/zinc/92/74/92/1047927492.db2.gz PCAOZKDRYXGSPZ-KLAILNCOSA-N 2 2 318.530 4.466 20 0 DIADLP Cc1cc(Oc2ccc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc[nH+]1 ZINC001159814195 1047928691 /nfs/dbraw/zinc/92/86/91/1047928691.db2.gz WNNXQWJUAKXFGC-CVEARBPZSA-N 2 2 307.397 4.002 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1C1=CC[NH2+]CC1 ZINC001160023100 1047971253 /nfs/dbraw/zinc/97/12/53/1047971253.db2.gz GHIGEWLYVIAYBQ-UHFFFAOYSA-N 2 2 305.425 4.388 20 0 DIADLP c1c[nH+]c(-c2ccc(Nc3ccccc3C3=CC[NH2+]CC3)cc2)[nH]1 ZINC001160023981 1047972942 /nfs/dbraw/zinc/97/29/42/1047972942.db2.gz ZXCZYKCWXUVVQQ-UHFFFAOYSA-N 2 2 316.408 4.197 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183864000 1047977105 /nfs/dbraw/zinc/97/71/05/1047977105.db2.gz IJRJXZOJRAGKGC-IAGOWNOFSA-N 2 2 301.478 4.174 20 0 DIADLP COc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc2ccccc21 ZINC000924729810 1047993407 /nfs/dbraw/zinc/99/34/07/1047993407.db2.gz BNIBXVXKZSTVME-MRXNPFEDSA-N 2 2 323.440 4.176 20 0 DIADLP c1ccc(O[C@H]2CCC[NH2+]C2)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001160232473 1048005732 /nfs/dbraw/zinc/00/57/32/1048005732.db2.gz CEJCFXXQOGLYLM-INIZCTEOSA-N 2 2 319.408 4.109 20 0 DIADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccsc1C(F)(F)F ZINC001198900059 1048014938 /nfs/dbraw/zinc/01/49/38/1048014938.db2.gz DYWYMTIFGVGNFR-UHFFFAOYSA-N 2 2 322.440 4.369 20 0 DIADLP Clc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203921144 1048015988 /nfs/dbraw/zinc/01/59/88/1048015988.db2.gz AHXAFCLDOVBPQH-SFHVURJKSA-N 2 2 306.881 4.180 20 0 DIADLP Clc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203921144 1048015998 /nfs/dbraw/zinc/01/59/98/1048015998.db2.gz AHXAFCLDOVBPQH-SFHVURJKSA-N 2 2 306.881 4.180 20 0 DIADLP Cc1cc(Cl)c(C)c(NC2CC[NH+](CC(C)(C)C)CC2)[nH+]1 ZINC001161209084 1048115948 /nfs/dbraw/zinc/11/59/48/1048115948.db2.gz XYTCBGGYHCSFEC-UHFFFAOYSA-N 2 2 309.885 4.274 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000480756358 1048238812 /nfs/dbraw/zinc/23/88/12/1048238812.db2.gz JZJAUMMPBUGWMP-XJKSGUPXSA-N 2 2 311.454 4.154 20 0 DIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2ccccc2c1 ZINC000480774061 1048241700 /nfs/dbraw/zinc/24/17/00/1048241700.db2.gz LDGHSXODMOUXKD-MRXNPFEDSA-N 2 2 319.452 4.266 20 0 DIADLP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000480771633 1048242442 /nfs/dbraw/zinc/24/24/42/1048242442.db2.gz CSEHFABFMDISAQ-DLBZAZTESA-N 2 2 315.461 4.047 20 0 DIADLP Cc1ccc(-c2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)c2)cc1 ZINC001162452706 1048282650 /nfs/dbraw/zinc/28/26/50/1048282650.db2.gz GWRXSVOSEAIBMH-VQIMIIECSA-N 2 2 309.457 4.105 20 0 DIADLP Cc1ccc(-c2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2)cc1 ZINC001162452703 1048283309 /nfs/dbraw/zinc/28/33/09/1048283309.db2.gz GWRXSVOSEAIBMH-APWZRJJASA-N 2 2 309.457 4.105 20 0 DIADLP CCCCOc1ccc(C[NH+]2CCC([NH+](CC)CC)CC2)cc1 ZINC001203970267 1048303196 /nfs/dbraw/zinc/30/31/96/1048303196.db2.gz KQCXUJHKAQPEHO-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CCC[C@H](C)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201551287 1048304738 /nfs/dbraw/zinc/30/47/38/1048304738.db2.gz SYOHFDBEURINNL-HNNXBMFYSA-N 2 2 323.440 4.430 20 0 DIADLP CCCCCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201755937 1048366614 /nfs/dbraw/zinc/36/66/14/1048366614.db2.gz CJTFEVMMRZPUKB-UHFFFAOYSA-N 2 2 306.469 4.302 20 0 DIADLP CCCCCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201755937 1048366620 /nfs/dbraw/zinc/36/66/20/1048366620.db2.gz CJTFEVMMRZPUKB-UHFFFAOYSA-N 2 2 306.469 4.302 20 0 DIADLP C[C@@H]([NH2+]Cc1cscc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947029 1048407908 /nfs/dbraw/zinc/40/79/08/1048407908.db2.gz QGMZHANUJVVPTL-CHWSQXEVSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@@H]([NH2+]Cc1cscc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947029 1048407918 /nfs/dbraw/zinc/40/79/18/1048407918.db2.gz QGMZHANUJVVPTL-CHWSQXEVSA-N 2 2 312.910 4.144 20 0 DIADLP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(F)c1F ZINC001143610451 1048425387 /nfs/dbraw/zinc/42/53/87/1048425387.db2.gz YEAWFOCVIIOMAE-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(F)c1F ZINC001143610451 1048425392 /nfs/dbraw/zinc/42/53/92/1048425392.db2.gz YEAWFOCVIIOMAE-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1F ZINC001143610451 1048425395 /nfs/dbraw/zinc/42/53/95/1048425395.db2.gz YEAWFOCVIIOMAE-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1F ZINC001143610451 1048425399 /nfs/dbraw/zinc/42/53/99/1048425399.db2.gz YEAWFOCVIIOMAE-IRXDYDNUSA-N 2 2 322.443 4.112 20 0 DIADLP c1ccc2c(c1)cc[nH+]c2NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001163315705 1048449597 /nfs/dbraw/zinc/44/95/97/1048449597.db2.gz QOJKVEOUAUHCDH-QGZVFWFLSA-N 2 2 321.468 4.467 20 0 DIADLP CSc1cc[nH+]c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC001163319900 1048449614 /nfs/dbraw/zinc/44/96/14/1048449614.db2.gz KSYDAZOZDKFSLM-HNNXBMFYSA-N 2 2 317.502 4.036 20 0 DIADLP CSc1cc[nH+]c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC001163319901 1048450179 /nfs/dbraw/zinc/45/01/79/1048450179.db2.gz KSYDAZOZDKFSLM-OAHLLOKOSA-N 2 2 317.502 4.036 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1C ZINC001202150468 1048462680 /nfs/dbraw/zinc/46/26/80/1048462680.db2.gz JJUKHPPYBFLYQY-GUDVDZBRSA-N 2 2 306.538 4.447 20 0 DIADLP COC(=[NH2+])c1cccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001163847801 1048535901 /nfs/dbraw/zinc/53/59/01/1048535901.db2.gz BGWCRSPOBSJVFT-UHFFFAOYSA-N 2 2 311.429 4.264 20 0 DIADLP Cc1ccc2c(ccc(C)c2C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC001176070323 1048544849 /nfs/dbraw/zinc/54/48/49/1048544849.db2.gz PWZWPQSHKNWMCD-RBUKOAKNSA-N 2 2 308.469 4.125 20 0 DIADLP Cc1ccc2c(ccc(C)c2C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC001176070323 1048544857 /nfs/dbraw/zinc/54/48/57/1048544857.db2.gz PWZWPQSHKNWMCD-RBUKOAKNSA-N 2 2 308.469 4.125 20 0 DIADLP Cc1ccc2c(ccc(C)c2C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC001176070323 1048544868 /nfs/dbraw/zinc/54/48/68/1048544868.db2.gz PWZWPQSHKNWMCD-RBUKOAKNSA-N 2 2 308.469 4.125 20 0 DIADLP Cc1ccc2c(ccc(C)c2C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC001176070323 1048544879 /nfs/dbraw/zinc/54/48/79/1048544879.db2.gz PWZWPQSHKNWMCD-RBUKOAKNSA-N 2 2 308.469 4.125 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000482245324 1048573544 /nfs/dbraw/zinc/57/35/44/1048573544.db2.gz PYAJBXHCCKZLEK-GOSISDBHSA-N 2 2 309.457 4.286 20 0 DIADLP c1c[nH+]c(N2CCCC2)c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001176195634 1048591305 /nfs/dbraw/zinc/59/13/05/1048591305.db2.gz ZZDRGDTXKXIWRT-UHFFFAOYSA-N 2 2 322.456 4.021 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1C ZINC001164491581 1048633621 /nfs/dbraw/zinc/63/36/21/1048633621.db2.gz FEMOHEJJWFRUKM-VAMGGRTRSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1c[nH+]cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1C ZINC001164491581 1048633626 /nfs/dbraw/zinc/63/36/26/1048633626.db2.gz FEMOHEJJWFRUKM-VAMGGRTRSA-N 2 2 321.468 4.021 20 0 DIADLP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC001190383719 1048722864 /nfs/dbraw/zinc/72/28/64/1048722864.db2.gz SDKWEIDBVUOKEO-LJQANCHMSA-N 2 2 311.473 4.408 20 0 DIADLP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC001190383719 1048722876 /nfs/dbraw/zinc/72/28/76/1048722876.db2.gz SDKWEIDBVUOKEO-LJQANCHMSA-N 2 2 311.473 4.408 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)CCC2 ZINC000483451037 1048797769 /nfs/dbraw/zinc/79/77/69/1048797769.db2.gz NQTJCKAAJLILLW-GVDBMIGSSA-N 2 2 303.494 4.263 20 0 DIADLP Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001177033552 1048816946 /nfs/dbraw/zinc/81/69/46/1048816946.db2.gz IQSFZJJOQCIRON-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1cc(C)c2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001177033552 1048816955 /nfs/dbraw/zinc/81/69/55/1048816955.db2.gz IQSFZJJOQCIRON-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](CC)CC)C1 ZINC001177222416 1048847928 /nfs/dbraw/zinc/84/79/28/1048847928.db2.gz JQGFKCGDNVOVIR-HLAWJBBLSA-N 2 2 316.533 4.498 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)c1cccs1 ZINC000483729999 1048848465 /nfs/dbraw/zinc/84/84/65/1048848465.db2.gz QVHFNYACJNITAZ-UHFFFAOYSA-N 2 2 311.454 4.267 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC1(C)C ZINC001203389980 1048891228 /nfs/dbraw/zinc/89/12/28/1048891228.db2.gz PANZVNOUSUUMIX-LBPRGKRZSA-N 2 2 319.251 4.095 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC1(C)C ZINC001203389980 1048891240 /nfs/dbraw/zinc/89/12/40/1048891240.db2.gz PANZVNOUSUUMIX-LBPRGKRZSA-N 2 2 319.251 4.095 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC001177308495 1048873929 /nfs/dbraw/zinc/87/39/29/1048873929.db2.gz UXLWPPDOBBOSKK-KGLIPLIRSA-N 2 2 313.272 4.018 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC001177308495 1048873941 /nfs/dbraw/zinc/87/39/41/1048873941.db2.gz UXLWPPDOBBOSKK-KGLIPLIRSA-N 2 2 313.272 4.018 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000557556125 1048885716 /nfs/dbraw/zinc/88/57/16/1048885716.db2.gz TYEDIYYNAZTPCG-ZDUSSCGKSA-N 2 2 303.837 4.030 20 0 DIADLP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000557556125 1048885738 /nfs/dbraw/zinc/88/57/38/1048885738.db2.gz TYEDIYYNAZTPCG-ZDUSSCGKSA-N 2 2 303.837 4.030 20 0 DIADLP CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001191276907 1048914916 /nfs/dbraw/zinc/91/49/16/1048914916.db2.gz GNPLTVQIIBHTMG-HXUWFJFHSA-N 2 2 319.452 4.325 20 0 DIADLP CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001191276907 1048914927 /nfs/dbraw/zinc/91/49/27/1048914927.db2.gz GNPLTVQIIBHTMG-HXUWFJFHSA-N 2 2 319.452 4.325 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC001177939032 1048966727 /nfs/dbraw/zinc/96/67/27/1048966727.db2.gz VCFINWXPVZHDPV-UHFFFAOYSA-N 2 2 303.475 4.032 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178280392 1049011952 /nfs/dbraw/zinc/01/19/52/1049011952.db2.gz ARELBKNFMVPNLZ-FQEVSTJZSA-N 2 2 322.496 4.446 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178280392 1049011964 /nfs/dbraw/zinc/01/19/64/1049011964.db2.gz ARELBKNFMVPNLZ-FQEVSTJZSA-N 2 2 322.496 4.446 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001178327058 1049022122 /nfs/dbraw/zinc/02/21/22/1049022122.db2.gz XCGPCLDNZPWBAA-XEGHISHKSA-N 2 2 320.480 4.343 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001178327058 1049022133 /nfs/dbraw/zinc/02/21/33/1049022133.db2.gz XCGPCLDNZPWBAA-XEGHISHKSA-N 2 2 320.480 4.343 20 0 DIADLP c1ccc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)ccc2c1 ZINC001203997898 1049058810 /nfs/dbraw/zinc/05/88/10/1049058810.db2.gz NTMFXGOUISKTEI-UHFFFAOYSA-N 2 2 318.420 4.278 20 0 DIADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557187 1049060924 /nfs/dbraw/zinc/06/09/24/1049060924.db2.gz NGEKVKNAZIYSFH-BHIYHBOVSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557187 1049060937 /nfs/dbraw/zinc/06/09/37/1049060937.db2.gz NGEKVKNAZIYSFH-BHIYHBOVSA-N 2 2 300.490 4.065 20 0 DIADLP Cc1cn2cccc(Nc3cccc(C[NH+]4CCCCC4)c3)c2[nH+]1 ZINC001204087851 1049082661 /nfs/dbraw/zinc/08/26/61/1049082661.db2.gz VWIBXLZQQQDDDH-UHFFFAOYSA-N 2 2 320.440 4.372 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C[C@@H]1C ZINC001178790844 1049088521 /nfs/dbraw/zinc/08/85/21/1049088521.db2.gz FJKXYMFUWGURRQ-QLFBSQMISA-N 2 2 317.864 4.440 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)[nH]1 ZINC001179849556 1049216116 /nfs/dbraw/zinc/21/61/16/1049216116.db2.gz HQAMKOOUVUMTMN-IBGZPJMESA-N 2 2 309.457 4.447 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(C4CCCC4)c3)C2)[nH]1 ZINC001179849556 1049216123 /nfs/dbraw/zinc/21/61/23/1049216123.db2.gz HQAMKOOUVUMTMN-IBGZPJMESA-N 2 2 309.457 4.447 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccns1 ZINC000858576963 1049281582 /nfs/dbraw/zinc/28/15/82/1049281582.db2.gz NYFHVOJJGKZHCG-AWEZNQCLSA-N 2 2 323.550 4.473 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC001180173457 1049296003 /nfs/dbraw/zinc/29/60/03/1049296003.db2.gz GEDIUHGFJKWEBT-PLNGDYQASA-N 2 2 309.457 4.159 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204946667 1049320539 /nfs/dbraw/zinc/32/05/39/1049320539.db2.gz QUCNVHCIHXEMKX-OAQYLSRUSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204946667 1049320553 /nfs/dbraw/zinc/32/05/53/1049320553.db2.gz QUCNVHCIHXEMKX-OAQYLSRUSA-N 2 2 323.484 4.076 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)c2ccc(C)cc2)CC1 ZINC001205237725 1049414970 /nfs/dbraw/zinc/41/49/70/1049414970.db2.gz NXCKFBAOHJGWNM-INIZCTEOSA-N 2 2 314.395 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205274623 1049423080 /nfs/dbraw/zinc/42/30/80/1049423080.db2.gz ZCVGNNQUTOOHMK-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001205274623 1049423087 /nfs/dbraw/zinc/42/30/87/1049423087.db2.gz ZCVGNNQUTOOHMK-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001181243873 1049453511 /nfs/dbraw/zinc/45/35/11/1049453511.db2.gz KZFMTJOEZLVFHW-UHFFFAOYSA-N 2 2 314.517 4.424 20 0 DIADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001181243873 1049453514 /nfs/dbraw/zinc/45/35/14/1049453514.db2.gz KZFMTJOEZLVFHW-UHFFFAOYSA-N 2 2 314.517 4.424 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001205517372 1049490975 /nfs/dbraw/zinc/49/09/75/1049490975.db2.gz NXZUNKABIMRTAU-RBUKOAKNSA-N 2 2 304.522 4.201 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001205517373 1049491417 /nfs/dbraw/zinc/49/14/17/1049491417.db2.gz NXZUNKABIMRTAU-RTBURBONSA-N 2 2 304.522 4.201 20 0 DIADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805670 1049568802 /nfs/dbraw/zinc/56/88/02/1049568802.db2.gz RGTDCRRELSWZLH-ZIAGYGMSSA-N 2 2 318.848 4.159 20 0 DIADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001205805670 1049568812 /nfs/dbraw/zinc/56/88/12/1049568812.db2.gz RGTDCRRELSWZLH-ZIAGYGMSSA-N 2 2 318.848 4.159 20 0 DIADLP c1cn(Cc2cccc(-c3cccc([C@H]4CCC[NH2+]4)c3)c2)c[nH+]1 ZINC000863690823 1049588177 /nfs/dbraw/zinc/58/81/77/1049588177.db2.gz WWMDYIKILJTUOA-HXUWFJFHSA-N 2 2 303.409 4.023 20 0 DIADLP c1cn(Cc2cccc(-c3cccc(C[NH2+]CC4CC4)c3)c2)c[nH+]1 ZINC000863690251 1049588549 /nfs/dbraw/zinc/58/85/49/1049588549.db2.gz NRXGEMVFPOOUDX-UHFFFAOYSA-N 2 2 317.436 4.098 20 0 DIADLP C[C@H]1C[C@H](c2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2)C[NH2+]1 ZINC000863690159 1049588825 /nfs/dbraw/zinc/58/88/25/1049588825.db2.gz LWPNCIALXCBFCN-KKSFZXQISA-N 2 2 317.436 4.064 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc3sc4ccccc4c3c2)C[C@@H]1[NH3+] ZINC001205889098 1049592820 /nfs/dbraw/zinc/59/28/20/1049592820.db2.gz RWNUNNNLYSULGD-DYVFJYSZSA-N 2 2 310.466 4.224 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C[C@@H]1[NH3+] ZINC001205889098 1049592829 /nfs/dbraw/zinc/59/28/29/1049592829.db2.gz RWNUNNNLYSULGD-DYVFJYSZSA-N 2 2 310.466 4.224 20 0 DIADLP C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000864001531 1049611810 /nfs/dbraw/zinc/61/18/10/1049611810.db2.gz MCAVVZKHEMHDPC-MRXNPFEDSA-N 2 2 323.484 4.304 20 0 DIADLP C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1cccc(C[NH+](C)C)c1 ZINC000864001531 1049611816 /nfs/dbraw/zinc/61/18/16/1049611816.db2.gz MCAVVZKHEMHDPC-MRXNPFEDSA-N 2 2 323.484 4.304 20 0 DIADLP CC1(C)CCC(C)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001182395858 1049642194 /nfs/dbraw/zinc/64/21/94/1049642194.db2.gz AYJYILXYFOFCNW-UHFFFAOYSA-N 2 2 315.505 4.247 20 0 DIADLP CSc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001202514205 1049680587 /nfs/dbraw/zinc/68/05/87/1049680587.db2.gz UVTZAFKJSKEEIA-KRWDZBQOSA-N 2 2 306.519 4.009 20 0 DIADLP C[C@H](C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335507 1049715453 /nfs/dbraw/zinc/71/54/53/1049715453.db2.gz FLOCYGCPFIZUGS-OXQOHEQNSA-N 2 2 314.448 4.096 20 0 DIADLP C[C@H](C[N@H+]1CCCC[C@@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335507 1049715463 /nfs/dbraw/zinc/71/54/63/1049715463.db2.gz FLOCYGCPFIZUGS-OXQOHEQNSA-N 2 2 314.448 4.096 20 0 DIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1 ZINC000489320679 1049743455 /nfs/dbraw/zinc/74/34/55/1049743455.db2.gz BHSSFGVRWBKCMG-SFHVURJKSA-N 2 2 323.484 4.381 20 0 DIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1 ZINC000489320679 1049743459 /nfs/dbraw/zinc/74/34/59/1049743459.db2.gz BHSSFGVRWBKCMG-SFHVURJKSA-N 2 2 323.484 4.381 20 0 DIADLP Cc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1Cl ZINC001206563897 1049757901 /nfs/dbraw/zinc/75/79/01/1049757901.db2.gz KBVZJKVTRXOQMQ-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1Cl ZINC001206563897 1049757912 /nfs/dbraw/zinc/75/79/12/1049757912.db2.gz KBVZJKVTRXOQMQ-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1cc(Cl)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206574687 1049758623 /nfs/dbraw/zinc/75/86/23/1049758623.db2.gz UGZXHSLUDCREPA-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1cc(Cl)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206574687 1049758642 /nfs/dbraw/zinc/75/86/42/1049758642.db2.gz UGZXHSLUDCREPA-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001207057440 1049827576 /nfs/dbraw/zinc/82/75/76/1049827576.db2.gz GNWZIYQNSQKTDI-GIVPXCGWSA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001207057440 1049827585 /nfs/dbraw/zinc/82/75/85/1049827585.db2.gz GNWZIYQNSQKTDI-GIVPXCGWSA-N 2 2 312.501 4.103 20 0 DIADLP Cc1occc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000490423108 1049827971 /nfs/dbraw/zinc/82/79/71/1049827971.db2.gz NDXWEGYDDKBITA-UZLBHIALSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000490423108 1049827983 /nfs/dbraw/zinc/82/79/83/1049827983.db2.gz NDXWEGYDDKBITA-UZLBHIALSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000490423108 1049828003 /nfs/dbraw/zinc/82/80/03/1049828003.db2.gz NDXWEGYDDKBITA-UZLBHIALSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000490423108 1049828024 /nfs/dbraw/zinc/82/80/24/1049828024.db2.gz NDXWEGYDDKBITA-UZLBHIALSA-N 2 2 312.457 4.073 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc(C(F)F)c2)C2CCCC2)CC1 ZINC001207132449 1049842907 /nfs/dbraw/zinc/84/29/07/1049842907.db2.gz HMCUZGBUHGYJQC-UHFFFAOYSA-N 2 2 322.443 4.463 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc(C(F)F)c2)C2CCCC2)CC1 ZINC001207132449 1049842916 /nfs/dbraw/zinc/84/29/16/1049842916.db2.gz HMCUZGBUHGYJQC-UHFFFAOYSA-N 2 2 322.443 4.463 20 0 DIADLP CC(C)[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197441 1049862172 /nfs/dbraw/zinc/86/21/72/1049862172.db2.gz QFQNRZRVUHBOIZ-LPHOPBHVSA-N 2 2 320.908 4.248 20 0 DIADLP CC(C)[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197441 1049862177 /nfs/dbraw/zinc/86/21/77/1049862177.db2.gz QFQNRZRVUHBOIZ-LPHOPBHVSA-N 2 2 320.908 4.248 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)CC(c1ccccc1)c1ccccc1 ZINC001207528453 1049906638 /nfs/dbraw/zinc/90/66/38/1049906638.db2.gz ZHGZGTJABWOUPX-UHFFFAOYSA-N 2 2 319.452 4.037 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)CC(c1ccccc1)c1ccccc1 ZINC001207528453 1049906655 /nfs/dbraw/zinc/90/66/55/1049906655.db2.gz ZHGZGTJABWOUPX-UHFFFAOYSA-N 2 2 319.452 4.037 20 0 DIADLP CC(C)C(C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)C(C)C ZINC000572047631 1049990440 /nfs/dbraw/zinc/99/04/40/1049990440.db2.gz QDMANBLDQVRIME-UHFFFAOYSA-N 2 2 306.494 4.104 20 0 DIADLP CC(C)C(C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)C(C)C ZINC000572047631 1049990444 /nfs/dbraw/zinc/99/04/44/1049990444.db2.gz QDMANBLDQVRIME-UHFFFAOYSA-N 2 2 306.494 4.104 20 0 DIADLP C[C@H](CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1)CC(C)(C)C ZINC001208656367 1049999535 /nfs/dbraw/zinc/99/95/35/1049999535.db2.gz VNVJEZDTLSYLSB-MRXNPFEDSA-N 2 2 304.478 4.387 20 0 DIADLP CC(C)CCC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001208734918 1050006619 /nfs/dbraw/zinc/00/66/19/1050006619.db2.gz GQAPSOPKVOKQKT-UHFFFAOYSA-N 2 2 323.440 4.430 20 0 DIADLP CC(C)[N@H+](CCCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209232972 1050045913 /nfs/dbraw/zinc/04/59/13/1050045913.db2.gz PFMANDRXSJZPLX-UHFFFAOYSA-N 2 2 302.506 4.204 20 0 DIADLP CC(C)[N@@H+](CCCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209232972 1050045919 /nfs/dbraw/zinc/04/59/19/1050045919.db2.gz PFMANDRXSJZPLX-UHFFFAOYSA-N 2 2 302.506 4.204 20 0 DIADLP c1cn(C2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)c[nH+]1 ZINC001209448050 1050060009 /nfs/dbraw/zinc/06/00/09/1050060009.db2.gz UXAXREJZVCOYOJ-UHFFFAOYSA-N 2 2 313.489 4.127 20 0 DIADLP CC(C)[N@H+](Cc1cccc2[nH]cc(Cl)c21)C1CC[NH+](C)CC1 ZINC001209660996 1050074707 /nfs/dbraw/zinc/07/47/07/1050074707.db2.gz MXUTZSMAAIZXRO-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1cccc2[nH]cc(Cl)c21)C1CC[NH+](C)CC1 ZINC001209660996 1050074710 /nfs/dbraw/zinc/07/47/10/1050074710.db2.gz MXUTZSMAAIZXRO-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000796897152 1050442989 /nfs/dbraw/zinc/44/29/89/1050442989.db2.gz JGYVZTHNPXYYIZ-PMACEKPBSA-N 2 2 315.505 4.064 20 0 DIADLP CCc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001144326532 1050545049 /nfs/dbraw/zinc/54/50/49/1050545049.db2.gz DPTCQEVTNXYAAW-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP CCc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001144326532 1050545066 /nfs/dbraw/zinc/54/50/66/1050545066.db2.gz DPTCQEVTNXYAAW-UHFFFAOYSA-N 2 2 305.425 4.067 20 0 DIADLP CC(C)CCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001170071280 1050583130 /nfs/dbraw/zinc/58/31/30/1050583130.db2.gz MQPQNYDUCKETPC-MRXNPFEDSA-N 2 2 306.469 4.290 20 0 DIADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000575097869 1050644662 /nfs/dbraw/zinc/64/46/62/1050644662.db2.gz RMXXJLSRMKQJDY-OXQOHEQNSA-N 2 2 309.457 4.013 20 0 DIADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000846181729 1050687908 /nfs/dbraw/zinc/68/79/08/1050687908.db2.gz HTYYVJAFOHNLNH-HNNXBMFYSA-N 2 2 321.509 4.241 20 0 DIADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000846181729 1050687918 /nfs/dbraw/zinc/68/79/18/1050687918.db2.gz HTYYVJAFOHNLNH-HNNXBMFYSA-N 2 2 321.509 4.241 20 0 DIADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000846181731 1050688400 /nfs/dbraw/zinc/68/84/00/1050688400.db2.gz HTYYVJAFOHNLNH-OAHLLOKOSA-N 2 2 321.509 4.241 20 0 DIADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000846181731 1050688410 /nfs/dbraw/zinc/68/84/10/1050688410.db2.gz HTYYVJAFOHNLNH-OAHLLOKOSA-N 2 2 321.509 4.241 20 0 DIADLP Cc1ccc(N([C@H](C)CCCC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001170090196 1050758131 /nfs/dbraw/zinc/75/81/31/1050758131.db2.gz IRDNSUJDPBCUPN-QGZVFWFLSA-N 2 2 303.494 4.163 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCC(F)(F)CC1 ZINC000788989049 1050773804 /nfs/dbraw/zinc/77/38/04/1050773804.db2.gz UMFNPTGFCYFGBK-UKRRQHHQSA-N 2 2 313.436 4.101 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1 ZINC000037156359 1051113809 /nfs/dbraw/zinc/11/38/09/1051113809.db2.gz PMZHLGBIFMGJLX-BBRMVZONSA-N 2 2 305.853 4.302 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1Cl ZINC000037156393 1051113992 /nfs/dbraw/zinc/11/39/92/1051113992.db2.gz FYKANVGNVYESPL-CJNGLKHVSA-N 2 2 305.853 4.302 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1(C)C ZINC001171628874 1051171761 /nfs/dbraw/zinc/17/17/61/1051171761.db2.gz KQGGBGFLYCXEPO-UHFFFAOYSA-N 2 2 323.912 4.211 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC001171629834 1051171946 /nfs/dbraw/zinc/17/19/46/1051171946.db2.gz WNEQMJZMIYREMF-MRXNPFEDSA-N 2 2 322.443 4.193 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(Cl)cc2F)CC1(C)C ZINC001171622150 1051179862 /nfs/dbraw/zinc/17/98/62/1051179862.db2.gz VZKJOXPYNNJKBJ-UHFFFAOYSA-N 2 2 312.860 4.220 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170284440 1051181722 /nfs/dbraw/zinc/18/17/22/1051181722.db2.gz NKSHHVFRHHZXCB-HNNXBMFYSA-N 2 2 308.897 4.077 20 0 DIADLP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC001171626828 1051181910 /nfs/dbraw/zinc/18/19/10/1051181910.db2.gz CMFMHIMLBKZZDU-LBPRGKRZSA-N 2 2 310.432 4.267 20 0 DIADLP CCc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c1 ZINC001170333711 1051186326 /nfs/dbraw/zinc/18/63/26/1051186326.db2.gz UCLSTFUQXRCIMH-OWZKRDHZSA-N 2 2 321.468 4.252 20 0 DIADLP CCc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c1 ZINC001170333711 1051186333 /nfs/dbraw/zinc/18/63/33/1051186333.db2.gz UCLSTFUQXRCIMH-OWZKRDHZSA-N 2 2 321.468 4.252 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638197 1051195501 /nfs/dbraw/zinc/19/55/01/1051195501.db2.gz WNCUZBPPRQXJPH-UHFFFAOYSA-N 2 2 308.897 4.423 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171638197 1051195504 /nfs/dbraw/zinc/19/55/04/1051195504.db2.gz WNCUZBPPRQXJPH-UHFFFAOYSA-N 2 2 308.897 4.423 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969192 1051258098 /nfs/dbraw/zinc/25/80/98/1051258098.db2.gz UIIOALPZTOHBLB-PKOBYXMFSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969192 1051258110 /nfs/dbraw/zinc/25/81/10/1051258110.db2.gz UIIOALPZTOHBLB-PKOBYXMFSA-N 2 2 323.484 4.175 20 0 DIADLP F[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075444 1051274578 /nfs/dbraw/zinc/27/45/78/1051274578.db2.gz XKBPJIQDLCRQOG-YSTOQKLRSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075444 1051274592 /nfs/dbraw/zinc/27/45/92/1051274592.db2.gz XKBPJIQDLCRQOG-YSTOQKLRSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075444 1051274610 /nfs/dbraw/zinc/27/46/10/1051274610.db2.gz XKBPJIQDLCRQOG-YSTOQKLRSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075444 1051274622 /nfs/dbraw/zinc/27/46/22/1051274622.db2.gz XKBPJIQDLCRQOG-YSTOQKLRSA-N 2 2 316.464 4.006 20 0 DIADLP Fc1cc(Nc2cccc3[nH+]ccn32)ccc1C[NH+]1CCCCC1 ZINC001215709700 1051317025 /nfs/dbraw/zinc/31/70/25/1051317025.db2.gz CGVLUTIXZNDBJB-UHFFFAOYSA-N 2 2 324.403 4.203 20 0 DIADLP Fc1cc(Nc2ccn3cc[nH+]c3c2)ccc1C[NH+]1CCCCC1 ZINC001215711576 1051319842 /nfs/dbraw/zinc/31/98/42/1051319842.db2.gz FEQOUPYSHMWOMY-UHFFFAOYSA-N 2 2 324.403 4.203 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc3c(c2)[nH+]cn3C)cc1 ZINC001215745603 1051340804 /nfs/dbraw/zinc/34/08/04/1051340804.db2.gz XSJQUZWDBYXMMJ-UHFFFAOYSA-N 2 2 308.429 4.063 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccnc1Cl ZINC000766409887 1051411489 /nfs/dbraw/zinc/41/14/89/1051411489.db2.gz VXQIPUJMRJZNEG-CQSZACIVSA-N 2 2 321.896 4.183 20 0 DIADLP c1cn(C2CC[NH+]([C@@H]3CCC[C@@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001172551156 1051435456 /nfs/dbraw/zinc/43/54/56/1051435456.db2.gz FEWVQVIASMETBK-UYAOXDASSA-N 2 2 309.457 4.246 20 0 DIADLP CC(C)[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172564161 1051442349 /nfs/dbraw/zinc/44/23/49/1051442349.db2.gz BYJWIRZEOYMLSG-QUCCMNQESA-N 2 2 300.490 4.127 20 0 DIADLP CC(C)[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172564161 1051442352 /nfs/dbraw/zinc/44/23/52/1051442352.db2.gz BYJWIRZEOYMLSG-QUCCMNQESA-N 2 2 300.490 4.127 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565813 1051445037 /nfs/dbraw/zinc/44/50/37/1051445037.db2.gz OLHHBIXDGWDYTN-AABGKKOBSA-N 2 2 322.452 4.179 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565813 1051445041 /nfs/dbraw/zinc/44/50/41/1051445041.db2.gz OLHHBIXDGWDYTN-AABGKKOBSA-N 2 2 322.452 4.179 20 0 DIADLP c1cn2cc(C[NH2+][C@H]3CCC[C@@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001172545829 1051457013 /nfs/dbraw/zinc/45/70/13/1051457013.db2.gz MMKYPNLRKRNLQH-MOPGFXCFSA-N 2 2 305.425 4.150 20 0 DIADLP CC[C@H]1CC[C@H](C2CCC(n3cc[nH+]c3CC[NH3+])CC2)CC1 ZINC001172586173 1051462421 /nfs/dbraw/zinc/46/24/21/1051462421.db2.gz HDJPRRZTDFXQRH-MJYONLJCSA-N 2 2 303.494 4.332 20 0 DIADLP Cc1ccc2c(c1)C[C@@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)CC2 ZINC001172833842 1051521272 /nfs/dbraw/zinc/52/12/72/1051521272.db2.gz BHGBSKUVYMFLTM-FQEVSTJZSA-N 2 2 317.436 4.047 20 0 DIADLP CC1(C)C[C@H](Nc2cc(-c3ccncc3)cc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169138284 1051529227 /nfs/dbraw/zinc/52/92/27/1051529227.db2.gz PJNZBPOSZFWDIG-PXNSSMCTSA-N 2 2 324.472 4.099 20 0 DIADLP COc1ccc([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169141592 1051532268 /nfs/dbraw/zinc/53/22/68/1051532268.db2.gz CKPHCWQSRPTISB-YJYMSZOUSA-N 2 2 315.461 4.132 20 0 DIADLP COc1ccc([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169141591 1051533673 /nfs/dbraw/zinc/53/36/73/1051533673.db2.gz CKPHCWQSRPTISB-ORAYPTAESA-N 2 2 315.461 4.132 20 0 DIADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000103173421 1051586484 /nfs/dbraw/zinc/58/64/84/1051586484.db2.gz OVHKVFLYTRYGPR-UHFFFAOYSA-N 2 2 309.388 4.036 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(Nc2cccc(C[NH+](C)C)c2F)cc1 ZINC001216230930 1051640432 /nfs/dbraw/zinc/64/04/32/1051640432.db2.gz JDRYSKPAZACWMO-UHFFFAOYSA-N 2 2 324.403 4.125 20 0 DIADLP CCCC[C@@H](CC(C)C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001173253554 1051655060 /nfs/dbraw/zinc/65/50/60/1051655060.db2.gz QMZBSZVOXCSVRT-IBGZPJMESA-N 2 2 317.521 4.493 20 0 DIADLP CCCC[C@H](CC(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001173253181 1051655310 /nfs/dbraw/zinc/65/53/10/1051655310.db2.gz NWQHAJKDSHATNP-GOSISDBHSA-N 2 2 303.494 4.245 20 0 DIADLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001173270145 1051667747 /nfs/dbraw/zinc/66/77/47/1051667747.db2.gz AVUPSKWIYRNXIU-OXJNMPFZSA-N 2 2 318.480 4.267 20 0 DIADLP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285756 1051689931 /nfs/dbraw/zinc/68/99/31/1051689931.db2.gz XZUIOJCCCZXSBS-OXQOHEQNSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285756 1051689941 /nfs/dbraw/zinc/68/99/41/1051689941.db2.gz XZUIOJCCCZXSBS-OXQOHEQNSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285757 1051690098 /nfs/dbraw/zinc/69/00/98/1051690098.db2.gz XZUIOJCCCZXSBS-UZLBHIALSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285757 1051690104 /nfs/dbraw/zinc/69/01/04/1051690104.db2.gz XZUIOJCCCZXSBS-UZLBHIALSA-N 2 2 318.480 4.301 20 0 DIADLP CCCCC/C(=C\c1ccccc1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494442576 1051899483 /nfs/dbraw/zinc/89/94/83/1051899483.db2.gz FAJXNTKBHGAZQM-ZAQQZEBGSA-N 2 2 323.484 4.451 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494473507 1051901583 /nfs/dbraw/zinc/90/15/83/1051901583.db2.gz ZNZFPBSCMZLDGF-MRXNPFEDSA-N 2 2 323.465 4.025 20 0 DIADLP Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000303351428 1052322602 /nfs/dbraw/zinc/32/26/02/1052322602.db2.gz NSCMKYSPHUXOAT-GOSISDBHSA-N 2 2 319.452 4.210 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000315633873 1052346344 /nfs/dbraw/zinc/34/63/44/1052346344.db2.gz YDDLTGSSCQWMKV-LRDDRELGSA-N 2 2 323.843 4.441 20 0 DIADLP Clc1sccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166834 1052455011 /nfs/dbraw/zinc/45/50/11/1052455011.db2.gz CVFFPJQQCMZVNN-INIZCTEOSA-N 2 2 312.910 4.147 20 0 DIADLP Clc1sccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166834 1052455013 /nfs/dbraw/zinc/45/50/13/1052455013.db2.gz CVFFPJQQCMZVNN-INIZCTEOSA-N 2 2 312.910 4.147 20 0 DIADLP c1cc(-c2csc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2)cs1 ZINC001222252631 1052468957 /nfs/dbraw/zinc/46/89/57/1052468957.db2.gz IBOMZNHJHBXNRL-QGZVFWFLSA-N 2 2 318.511 4.195 20 0 DIADLP c1cc(-c2csc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2)cs1 ZINC001222252631 1052468962 /nfs/dbraw/zinc/46/89/62/1052468962.db2.gz IBOMZNHJHBXNRL-QGZVFWFLSA-N 2 2 318.511 4.195 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222297857 1052476103 /nfs/dbraw/zinc/47/61/03/1052476103.db2.gz MFEQADQJLYSREO-UHFFFAOYSA-N 2 2 306.881 4.065 20 0 DIADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347061 1052488420 /nfs/dbraw/zinc/48/84/20/1052488420.db2.gz UZQWLBYIAYZNFG-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347061 1052488426 /nfs/dbraw/zinc/48/84/26/1052488426.db2.gz UZQWLBYIAYZNFG-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2ccccc2o1 ZINC000026313779 1052488430 /nfs/dbraw/zinc/48/84/30/1052488430.db2.gz NHJKQFRRHCKIBJ-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222354847 1052490129 /nfs/dbraw/zinc/49/01/29/1052490129.db2.gz OEPDSRYAGZCGFL-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccccc2C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222354847 1052490133 /nfs/dbraw/zinc/49/01/33/1052490133.db2.gz OEPDSRYAGZCGFL-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001222361147 1052490894 /nfs/dbraw/zinc/49/08/94/1052490894.db2.gz DZZCBKJHJNUSBX-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001222361147 1052490898 /nfs/dbraw/zinc/49/08/98/1052490898.db2.gz DZZCBKJHJNUSBX-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000322637426 1052493700 /nfs/dbraw/zinc/49/37/00/1052493700.db2.gz HWYRLQAYULIXOX-IEBWSBKVSA-N 2 2 315.505 4.245 20 0 DIADLP c1sc2ccccc2c1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222389818 1052494861 /nfs/dbraw/zinc/49/48/61/1052494861.db2.gz GVVPSIOLXUZDCV-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1sc2ccccc2c1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222389818 1052494866 /nfs/dbraw/zinc/49/48/66/1052494866.db2.gz GVVPSIOLXUZDCV-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP Fc1cccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cccc12 ZINC001222396543 1052495192 /nfs/dbraw/zinc/49/51/92/1052495192.db2.gz SJJXXVXVELROHS-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1cccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cccc12 ZINC001222396543 1052495196 /nfs/dbraw/zinc/49/51/96/1052495196.db2.gz SJJXXVXVELROHS-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP Cc1ccccc1C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001649029718 1052586514 /nfs/dbraw/zinc/58/65/14/1052586514.db2.gz XRCGMIRMBDQLEP-UHFFFAOYSA-N 2 2 323.465 4.064 20 0 DIADLP Cc1cc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001223423380 1052600304 /nfs/dbraw/zinc/60/03/04/1052600304.db2.gz CKEIECXCYQMOTA-KKSFZXQISA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001223423380 1052600310 /nfs/dbraw/zinc/60/03/10/1052600310.db2.gz CKEIECXCYQMOTA-KKSFZXQISA-N 2 2 324.468 4.126 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cncs1 ZINC000125091624 1052646207 /nfs/dbraw/zinc/64/62/07/1052646207.db2.gz QRPASJJLNKDLEM-GJZGRUSLSA-N 2 2 315.486 4.019 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347476151 1052851423 /nfs/dbraw/zinc/85/14/23/1052851423.db2.gz HYTXOUKPYPJKJR-BLLLJJGKSA-N 2 2 305.372 4.019 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000347476151 1052851429 /nfs/dbraw/zinc/85/14/29/1052851429.db2.gz HYTXOUKPYPJKJR-BLLLJJGKSA-N 2 2 305.372 4.019 20 0 DIADLP C[N@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220042 1052882680 /nfs/dbraw/zinc/88/26/80/1052882680.db2.gz YIULKQZYFPXJFJ-QWHCGFSZSA-N 2 2 321.679 4.349 20 0 DIADLP C[N@@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220042 1052882686 /nfs/dbraw/zinc/88/26/86/1052882686.db2.gz YIULKQZYFPXJFJ-QWHCGFSZSA-N 2 2 321.679 4.349 20 0 DIADLP CCCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921197251 1052964285 /nfs/dbraw/zinc/96/42/85/1052964285.db2.gz CGODTIVRHHHQED-UHFFFAOYSA-N 2 2 305.425 4.115 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001227266208 1052978123 /nfs/dbraw/zinc/97/81/23/1052978123.db2.gz YHNXHWXMQLKSCH-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001227266208 1052978124 /nfs/dbraw/zinc/97/81/24/1052978124.db2.gz YHNXHWXMQLKSCH-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000180265394 1053050947 /nfs/dbraw/zinc/05/09/47/1053050947.db2.gz ZFHNORLWYCPNGJ-IBGZPJMESA-N 2 2 309.388 4.252 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001474626759 1053067381 /nfs/dbraw/zinc/06/73/81/1053067381.db2.gz QZLWIRADIKQZIV-TYPHKJRUSA-N 2 2 314.517 4.108 20 0 DIADLP Cc1ccc([C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000091306971 1053258575 /nfs/dbraw/zinc/25/85/75/1053258575.db2.gz PUFZPGWSGOMIAI-OAQYLSRUSA-N 2 2 317.436 4.422 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000091284356 1053259451 /nfs/dbraw/zinc/25/94/51/1053259451.db2.gz IKQTVRITRHYHKY-OAQYLSRUSA-N 2 2 317.436 4.172 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318163 1053382777 /nfs/dbraw/zinc/38/27/77/1053382777.db2.gz WGEUNFZGGVBYEK-SJLPKXTDSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000093318163 1053382789 /nfs/dbraw/zinc/38/27/89/1053382789.db2.gz WGEUNFZGGVBYEK-SJLPKXTDSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318163 1053382801 /nfs/dbraw/zinc/38/28/01/1053382801.db2.gz WGEUNFZGGVBYEK-SJLPKXTDSA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000093318163 1053382812 /nfs/dbraw/zinc/38/28/12/1053382812.db2.gz WGEUNFZGGVBYEK-SJLPKXTDSA-N 2 2 314.498 4.233 20 0 DIADLP CCCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000619775690 1053556599 /nfs/dbraw/zinc/55/65/99/1053556599.db2.gz IAAZGDCICAQSLP-UHFFFAOYSA-N 2 2 305.425 4.115 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)c(F)c1 ZINC001325744920 1053725883 /nfs/dbraw/zinc/72/58/83/1053725883.db2.gz WTULCTSCTUYLPW-POJUEXTFSA-N 2 2 304.796 4.275 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)c(F)c1 ZINC001325744921 1053728216 /nfs/dbraw/zinc/72/82/16/1053728216.db2.gz WTULCTSCTUYLPW-PZDALLCQSA-N 2 2 304.796 4.275 20 0 DIADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC001231511162 1053775636 /nfs/dbraw/zinc/77/56/36/1053775636.db2.gz JRLKLMQBRJHWKQ-UHFFFAOYSA-N 2 2 320.480 4.412 20 0 DIADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC001231511162 1053775644 /nfs/dbraw/zinc/77/56/44/1053775644.db2.gz JRLKLMQBRJHWKQ-UHFFFAOYSA-N 2 2 320.480 4.412 20 0 DIADLP CCC1(CC)CCC([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001200572704 1053776845 /nfs/dbraw/zinc/77/68/45/1053776845.db2.gz RWADOIOLPUGHRZ-UHFFFAOYSA-N 2 2 324.553 4.214 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccccc2F)s1 ZINC000155651413 1053783655 /nfs/dbraw/zinc/78/36/55/1053783655.db2.gz AEWYEPBDHVHGGA-CYBMUJFWSA-N 2 2 315.417 4.102 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158162670 1053891813 /nfs/dbraw/zinc/89/18/13/1053891813.db2.gz HKRPWAKMILEHLI-UWVGGRQHSA-N 2 2 307.290 4.047 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158162670 1053891826 /nfs/dbraw/zinc/89/18/26/1053891826.db2.gz HKRPWAKMILEHLI-UWVGGRQHSA-N 2 2 307.290 4.047 20 0 DIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824328 1053878939 /nfs/dbraw/zinc/87/89/39/1053878939.db2.gz ACFVXUSFJOYHSW-NQIIRXRSSA-N 2 2 324.443 4.019 20 0 DIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824328 1053878948 /nfs/dbraw/zinc/87/89/48/1053878948.db2.gz ACFVXUSFJOYHSW-NQIIRXRSSA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824328 1053878952 /nfs/dbraw/zinc/87/89/52/1053878952.db2.gz ACFVXUSFJOYHSW-NQIIRXRSSA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824328 1053878966 /nfs/dbraw/zinc/87/89/66/1053878966.db2.gz ACFVXUSFJOYHSW-NQIIRXRSSA-N 2 2 324.443 4.019 20 0 DIADLP CCCc1[nH+]ccn1Cc1ccc(Cn2cc[nH+]c2CCC)cc1 ZINC000158022225 1053879522 /nfs/dbraw/zinc/87/95/22/1053879522.db2.gz RAWNSZYUURKRHP-UHFFFAOYSA-N 2 2 322.456 4.081 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2sc3scc(C)c3c2C)CC1 ZINC001231830873 1053887814 /nfs/dbraw/zinc/88/78/14/1053887814.db2.gz GJJOIIFUTHXTEL-UHFFFAOYSA-N 2 2 322.543 4.496 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2sc3scc(C)c3c2C)CC1 ZINC001231830873 1053887830 /nfs/dbraw/zinc/88/78/30/1053887830.db2.gz GJJOIIFUTHXTEL-UHFFFAOYSA-N 2 2 322.543 4.496 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000315529173 1053909514 /nfs/dbraw/zinc/90/95/14/1053909514.db2.gz GARRNNITSJUVKX-CYBMUJFWSA-N 2 2 311.351 4.033 20 0 DIADLP Clc1cccc(CCCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000621262081 1053924259 /nfs/dbraw/zinc/92/42/59/1053924259.db2.gz NQKGKIOLWRKMRM-UHFFFAOYSA-N 2 2 317.864 4.196 20 0 DIADLP Fc1cccc(F)c1[C@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017107 1053942005 /nfs/dbraw/zinc/94/20/05/1053942005.db2.gz LKBNPAIMCFPUBM-QGZVFWFLSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cccc(F)c1[C@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017107 1053942021 /nfs/dbraw/zinc/94/20/21/1053942021.db2.gz LKBNPAIMCFPUBM-QGZVFWFLSA-N 2 2 313.351 4.178 20 0 DIADLP Clc1csc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232282492 1054013609 /nfs/dbraw/zinc/01/36/09/1054013609.db2.gz YEBHOACQEQVSCY-HNNXBMFYSA-N 2 2 312.910 4.242 20 0 DIADLP Clc1csc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232282492 1054013619 /nfs/dbraw/zinc/01/36/19/1054013619.db2.gz YEBHOACQEQVSCY-HNNXBMFYSA-N 2 2 312.910 4.242 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000159271582 1054032640 /nfs/dbraw/zinc/03/26/40/1054032640.db2.gz TZSUKDKMNPMXEW-HNNXBMFYSA-N 2 2 300.446 4.185 20 0 DIADLP Cc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1OC(C)C ZINC001232394617 1054037207 /nfs/dbraw/zinc/03/72/07/1054037207.db2.gz URPYDIDHFUWLQX-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP Cc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1OC(C)C ZINC001232394617 1054037215 /nfs/dbraw/zinc/03/72/15/1054037215.db2.gz URPYDIDHFUWLQX-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001233205751 1054201621 /nfs/dbraw/zinc/20/16/21/1054201621.db2.gz FTAJFTMROASYJD-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001233205751 1054201630 /nfs/dbraw/zinc/20/16/30/1054201630.db2.gz FTAJFTMROASYJD-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP COc1cc(C[NH+]2CCCCCCCC2)ccc1-n1cc[nH+]c1 ZINC001234084990 1054432453 /nfs/dbraw/zinc/43/24/53/1054432453.db2.gz JWEWJAIMOFGJQF-UHFFFAOYSA-N 2 2 313.445 4.037 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000671245705 1054458628 /nfs/dbraw/zinc/45/86/28/1054458628.db2.gz HHVKMNFAFBHHMI-UHFFFAOYSA-N 2 2 305.425 4.239 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)c1ccccc1 ZINC000671245705 1054458637 /nfs/dbraw/zinc/45/86/37/1054458637.db2.gz HHVKMNFAFBHHMI-UHFFFAOYSA-N 2 2 305.425 4.239 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2Cl)[nH+]1 ZINC001344076075 1054462984 /nfs/dbraw/zinc/46/29/84/1054462984.db2.gz RUDGWGCNSLCSLQ-INIZCTEOSA-N 2 2 315.848 4.120 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2Cl)[nH+]1 ZINC001344076075 1054462989 /nfs/dbraw/zinc/46/29/89/1054462989.db2.gz RUDGWGCNSLCSLQ-INIZCTEOSA-N 2 2 315.848 4.120 20 0 DIADLP c1cn(Cc2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2)c[nH+]1 ZINC000623169933 1054544128 /nfs/dbraw/zinc/54/41/28/1054544128.db2.gz SFALNKBIJFBNOI-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP CCCC[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623382302 1054580200 /nfs/dbraw/zinc/58/02/00/1054580200.db2.gz AOXGYZKCBFAWIG-UHFFFAOYSA-N 2 2 320.424 4.121 20 0 DIADLP c1ccc(-c2ccccc2C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235122416 1054661844 /nfs/dbraw/zinc/66/18/44/1054661844.db2.gz UICAVRAARGNFMU-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccccc2C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235122416 1054661853 /nfs/dbraw/zinc/66/18/53/1054661853.db2.gz UICAVRAARGNFMU-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP Fc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001235167096 1054670618 /nfs/dbraw/zinc/67/06/18/1054670618.db2.gz FNMNGFLLLNCXSX-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001235167096 1054670629 /nfs/dbraw/zinc/67/06/29/1054670629.db2.gz FNMNGFLLLNCXSX-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235218658 1054685257 /nfs/dbraw/zinc/68/52/57/1054685257.db2.gz JCYBDEXDLZJKGT-KDOFPFPSSA-N 2 2 322.477 4.238 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235218658 1054685263 /nfs/dbraw/zinc/68/52/63/1054685263.db2.gz JCYBDEXDLZJKGT-KDOFPFPSSA-N 2 2 322.477 4.238 20 0 DIADLP C[N@H+](Cc1ccccc1-c1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC001235343339 1054704416 /nfs/dbraw/zinc/70/44/16/1054704416.db2.gz UJGBYPNYLVULSH-INIZCTEOSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@@H+](Cc1ccccc1-c1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC001235343339 1054704434 /nfs/dbraw/zinc/70/44/34/1054704434.db2.gz UJGBYPNYLVULSH-INIZCTEOSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+](Cc1cccc2c3ccccc3sc21)[C@@H]1CCC[NH2+]C1 ZINC001235343358 1054704810 /nfs/dbraw/zinc/70/48/10/1054704810.db2.gz UUFKVWOTDRODBD-OAHLLOKOSA-N 2 2 310.466 4.238 20 0 DIADLP C[N@@H+](Cc1cccc2c3ccccc3sc21)[C@@H]1CCC[NH2+]C1 ZINC001235343358 1054704821 /nfs/dbraw/zinc/70/48/21/1054704821.db2.gz UUFKVWOTDRODBD-OAHLLOKOSA-N 2 2 310.466 4.238 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000180404844 1054756159 /nfs/dbraw/zinc/75/61/59/1054756159.db2.gz WJBXQYTWOWCWMY-AWEZNQCLSA-N 2 2 324.896 4.262 20 0 DIADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001235724902 1054788116 /nfs/dbraw/zinc/78/81/16/1054788116.db2.gz KTVSWQFVYSXFPL-INIZCTEOSA-N 2 2 316.832 4.055 20 0 DIADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001235724902 1054788131 /nfs/dbraw/zinc/78/81/31/1054788131.db2.gz KTVSWQFVYSXFPL-INIZCTEOSA-N 2 2 316.832 4.055 20 0 DIADLP c1ccc(C(c2ccccc2)[C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001235865461 1054826408 /nfs/dbraw/zinc/82/64/08/1054826408.db2.gz BRJBRZRLKGXJEF-LEWJYISDSA-N 2 2 320.480 4.035 20 0 DIADLP c1ccc(C(c2ccccc2)[C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001235865461 1054826416 /nfs/dbraw/zinc/82/64/16/1054826416.db2.gz BRJBRZRLKGXJEF-LEWJYISDSA-N 2 2 320.480 4.035 20 0 DIADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(C)sc1C ZINC000623964910 1054837563 /nfs/dbraw/zinc/83/75/63/1054837563.db2.gz UAWFZDSIKJGMFE-HOCLYGCPSA-N 2 2 303.475 4.007 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235904538 1054842406 /nfs/dbraw/zinc/84/24/06/1054842406.db2.gz KJCCBOWCTYMLNY-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235904538 1054842422 /nfs/dbraw/zinc/84/24/22/1054842422.db2.gz KJCCBOWCTYMLNY-MJGOQNOKSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)(C)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001235927347 1054850751 /nfs/dbraw/zinc/85/07/51/1054850751.db2.gz HNTDYBRIBARDBF-IBGZPJMESA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)(C)Oc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001235927347 1054850759 /nfs/dbraw/zinc/85/07/59/1054850759.db2.gz HNTDYBRIBARDBF-IBGZPJMESA-N 2 2 324.468 4.064 20 0 DIADLP C[N@@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001236119112 1054959130 /nfs/dbraw/zinc/95/91/30/1054959130.db2.gz SKLJPGVTQICPFI-KRWDZBQOSA-N 2 2 319.452 4.019 20 0 DIADLP C[N@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001236119112 1054959145 /nfs/dbraw/zinc/95/91/45/1054959145.db2.gz SKLJPGVTQICPFI-KRWDZBQOSA-N 2 2 319.452 4.019 20 0 DIADLP CCCCN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236173187 1054978554 /nfs/dbraw/zinc/97/85/54/1054978554.db2.gz MNNRWUYNUKIQEX-LJQANCHMSA-N 2 2 323.484 4.158 20 0 DIADLP CCCCN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236173187 1054978564 /nfs/dbraw/zinc/97/85/64/1054978564.db2.gz MNNRWUYNUKIQEX-LJQANCHMSA-N 2 2 323.484 4.158 20 0 DIADLP CCC[N@H+](Cc1cc(Cl)cc(Cl)c1F)C1CC[NH2+]CC1 ZINC001236184077 1054984420 /nfs/dbraw/zinc/98/44/20/1054984420.db2.gz OIWZHGXDLUZWAH-UHFFFAOYSA-N 2 2 319.251 4.097 20 0 DIADLP CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1F)C1CC[NH2+]CC1 ZINC001236184077 1054984430 /nfs/dbraw/zinc/98/44/30/1054984430.db2.gz OIWZHGXDLUZWAH-UHFFFAOYSA-N 2 2 319.251 4.097 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214170 1055002737 /nfs/dbraw/zinc/00/27/37/1055002737.db2.gz CNKAYCKCYQANRO-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214170 1055002749 /nfs/dbraw/zinc/00/27/49/1055002749.db2.gz CNKAYCKCYQANRO-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215078 1055003237 /nfs/dbraw/zinc/00/32/37/1055003237.db2.gz VSRMEFTZGAYKIX-SJORKVTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215078 1055003251 /nfs/dbraw/zinc/00/32/51/1055003251.db2.gz VSRMEFTZGAYKIX-SJORKVTESA-N 2 2 318.848 4.302 20 0 DIADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236217635 1055006128 /nfs/dbraw/zinc/00/61/28/1055006128.db2.gz CYNQMSHDHOWBKC-KRWDZBQOSA-N 2 2 320.436 4.302 20 0 DIADLP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236217635 1055006143 /nfs/dbraw/zinc/00/61/43/1055006143.db2.gz CYNQMSHDHOWBKC-KRWDZBQOSA-N 2 2 320.436 4.302 20 0 DIADLP C[N@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218335 1055006264 /nfs/dbraw/zinc/00/62/64/1055006264.db2.gz SCDSGKHMGJSACD-JKSUJKDBSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218335 1055006280 /nfs/dbraw/zinc/00/62/80/1055006280.db2.gz SCDSGKHMGJSACD-JKSUJKDBSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220816 1055010132 /nfs/dbraw/zinc/01/01/32/1055010132.db2.gz ZJPHVFPLPKYSPC-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220816 1055010147 /nfs/dbraw/zinc/01/01/47/1055010147.db2.gz ZJPHVFPLPKYSPC-KGLIPLIRSA-N 2 2 320.786 4.061 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182812988 1055011630 /nfs/dbraw/zinc/01/16/30/1055011630.db2.gz WCCOSLBYHGMCJJ-LSDHHAIUSA-N 2 2 305.853 4.051 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182812988 1055011643 /nfs/dbraw/zinc/01/16/43/1055011643.db2.gz WCCOSLBYHGMCJJ-LSDHHAIUSA-N 2 2 305.853 4.051 20 0 DIADLP Cc1c(C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cccc1-c1ccccc1 ZINC001236222275 1055012013 /nfs/dbraw/zinc/01/20/13/1055012013.db2.gz LRKOJCUDOZKGHO-NRFANRHFSA-N 2 2 320.480 4.378 20 0 DIADLP Cc1c(C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cccc1-c1ccccc1 ZINC001236222275 1055012028 /nfs/dbraw/zinc/01/20/28/1055012028.db2.gz LRKOJCUDOZKGHO-NRFANRHFSA-N 2 2 320.480 4.378 20 0 DIADLP Cn1ccc2c1cc[nH+]c2-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236231191 1055021322 /nfs/dbraw/zinc/02/13/22/1055021322.db2.gz ASNNMXKPWXDQHY-UHFFFAOYSA-N 2 2 323.415 4.365 20 0 DIADLP Cc1csc2sc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c(C)c12 ZINC001236239350 1055026111 /nfs/dbraw/zinc/02/61/11/1055026111.db2.gz GPPRQHWJGUSBFR-CQSZACIVSA-N 2 2 320.527 4.296 20 0 DIADLP Cc1csc2sc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c(C)c12 ZINC001236239350 1055026126 /nfs/dbraw/zinc/02/61/26/1055026126.db2.gz GPPRQHWJGUSBFR-CQSZACIVSA-N 2 2 320.527 4.296 20 0 DIADLP c1ccc2c(c1)oc1c2cccc1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236240031 1055026157 /nfs/dbraw/zinc/02/61/57/1055026157.db2.gz OACNPJKRQLMGCM-KRWDZBQOSA-N 2 2 320.436 4.302 20 0 DIADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236240031 1055026172 /nfs/dbraw/zinc/02/61/72/1055026172.db2.gz OACNPJKRQLMGCM-KRWDZBQOSA-N 2 2 320.436 4.302 20 0 DIADLP Clc1cc(-c2ccccc2)ccc1C[NH+]1CCC[NH2+]CCC1 ZINC001236239078 1055026578 /nfs/dbraw/zinc/02/65/78/1055026578.db2.gz ATGAOVVNYZCVKL-UHFFFAOYSA-N 2 2 314.860 4.192 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183171631 1055033276 /nfs/dbraw/zinc/03/32/76/1055033276.db2.gz GCXPRFSXZVLSON-CQSZACIVSA-N 2 2 303.837 4.152 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183171631 1055033290 /nfs/dbraw/zinc/03/32/90/1055033290.db2.gz GCXPRFSXZVLSON-CQSZACIVSA-N 2 2 303.837 4.152 20 0 DIADLP Clc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)s1 ZINC001236285229 1055048100 /nfs/dbraw/zinc/04/81/00/1055048100.db2.gz DIMBRLPMCCALIQ-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Clc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)s1 ZINC001236285229 1055048113 /nfs/dbraw/zinc/04/81/13/1055048113.db2.gz DIMBRLPMCCALIQ-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP CCC[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1CC[NH2+]C1 ZINC001236324796 1055057811 /nfs/dbraw/zinc/05/78/11/1055057811.db2.gz ZUMQCNSPAKXHJR-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP CCC[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1CC[NH2+]C1 ZINC001236324796 1055057825 /nfs/dbraw/zinc/05/78/25/1055057825.db2.gz ZUMQCNSPAKXHJR-MRXNPFEDSA-N 2 2 308.425 4.160 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001236417748 1055105363 /nfs/dbraw/zinc/10/53/63/1055105363.db2.gz RZIDBUDIVUOTFF-QGZVFWFLSA-N 2 2 314.860 4.191 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001236417748 1055105366 /nfs/dbraw/zinc/10/53/66/1055105366.db2.gz RZIDBUDIVUOTFF-QGZVFWFLSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421289 1055107541 /nfs/dbraw/zinc/10/75/41/1055107541.db2.gz SZQWPTPIHNLKDP-SUMWQHHRSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001236421289 1055107548 /nfs/dbraw/zinc/10/75/48/1055107548.db2.gz SZQWPTPIHNLKDP-SUMWQHHRSA-N 2 2 310.466 4.366 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236421020 1055107795 /nfs/dbraw/zinc/10/77/95/1055107795.db2.gz RQRHANMTKSCZNC-XLIONFOSSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236421020 1055107805 /nfs/dbraw/zinc/10/78/05/1055107805.db2.gz RQRHANMTKSCZNC-XLIONFOSSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236421548 1055107960 /nfs/dbraw/zinc/10/79/60/1055107960.db2.gz UNEWVZCGNRRBGR-UTKZUKDTSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236421548 1055107965 /nfs/dbraw/zinc/10/79/65/1055107965.db2.gz UNEWVZCGNRRBGR-UTKZUKDTSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)(C)C[N@H+](Cc1cccc(F)c1Cl)C1CC[NH2+]CC1 ZINC001236458109 1055125204 /nfs/dbraw/zinc/12/52/04/1055125204.db2.gz UVGCWOJIWAPKKD-UHFFFAOYSA-N 2 2 312.860 4.079 20 0 DIADLP CC(C)(C)C[N@@H+](Cc1cccc(F)c1Cl)C1CC[NH2+]CC1 ZINC001236458109 1055125212 /nfs/dbraw/zinc/12/52/12/1055125212.db2.gz UVGCWOJIWAPKKD-UHFFFAOYSA-N 2 2 312.860 4.079 20 0 DIADLP COc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C(C)C ZINC001236467468 1055129942 /nfs/dbraw/zinc/12/99/42/1055129942.db2.gz DVEGPPLJKUKXEJ-GOSISDBHSA-N 2 2 318.505 4.089 20 0 DIADLP COc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C(C)C ZINC001236467468 1055129944 /nfs/dbraw/zinc/12/99/44/1055129944.db2.gz DVEGPPLJKUKXEJ-GOSISDBHSA-N 2 2 318.505 4.089 20 0 DIADLP Cc1cnc(-c2ccccc2)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236470924 1055130130 /nfs/dbraw/zinc/13/01/30/1055130130.db2.gz HZNCRUGAUBUOOJ-HXUWFJFHSA-N 2 2 323.484 4.019 20 0 DIADLP Cc1cnc(-c2ccccc2)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236470924 1055130133 /nfs/dbraw/zinc/13/01/33/1055130133.db2.gz HZNCRUGAUBUOOJ-HXUWFJFHSA-N 2 2 323.484 4.019 20 0 DIADLP CC(C)[N@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC001236471106 1055130238 /nfs/dbraw/zinc/13/02/38/1055130238.db2.gz VKGCDAIGRCLRCE-MRXNPFEDSA-N 2 2 320.527 4.439 20 0 DIADLP CC(C)[N@@H+](Cc1cc(-c2ccsc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC001236471106 1055130244 /nfs/dbraw/zinc/13/02/44/1055130244.db2.gz VKGCDAIGRCLRCE-MRXNPFEDSA-N 2 2 320.527 4.439 20 0 DIADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccccc1-c1ccccc1 ZINC001236523691 1055160158 /nfs/dbraw/zinc/16/01/58/1055160158.db2.gz HONGDBNSPNDPMX-UHFFFAOYSA-N 2 2 316.448 4.315 20 0 DIADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccccc1-c1ccccc1 ZINC001236523691 1055160165 /nfs/dbraw/zinc/16/01/65/1055160165.db2.gz HONGDBNSPNDPMX-UHFFFAOYSA-N 2 2 316.448 4.315 20 0 DIADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001236883775 1055302663 /nfs/dbraw/zinc/30/26/63/1055302663.db2.gz FRAAARJYMQMQAU-SFHVURJKSA-N 2 2 302.849 4.176 20 0 DIADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001236883775 1055302682 /nfs/dbraw/zinc/30/26/82/1055302682.db2.gz FRAAARJYMQMQAU-SFHVURJKSA-N 2 2 302.849 4.176 20 0 DIADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236909871 1055309311 /nfs/dbraw/zinc/30/93/11/1055309311.db2.gz YWFKTFNYRKMKHC-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236909871 1055309327 /nfs/dbraw/zinc/30/93/27/1055309327.db2.gz YWFKTFNYRKMKHC-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(C[NH+]2CC(c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC001236912366 1055312460 /nfs/dbraw/zinc/31/24/60/1055312460.db2.gz PWSKCVWHDMSXRF-UHFFFAOYSA-N 2 2 323.827 4.125 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC001236913278 1055313074 /nfs/dbraw/zinc/31/30/74/1055313074.db2.gz KLPSVBNFZUQGID-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001236915058 1055315798 /nfs/dbraw/zinc/31/57/98/1055315798.db2.gz BDBKFMRCALFJSH-GJZGRUSLSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001236915058 1055315814 /nfs/dbraw/zinc/31/58/14/1055315814.db2.gz BDBKFMRCALFJSH-GJZGRUSLSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC(c2ccccc2)C1 ZINC001236916780 1055318626 /nfs/dbraw/zinc/31/86/26/1055318626.db2.gz PDZPQMSQZXIDGJ-UHFFFAOYSA-N 2 2 323.827 4.125 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1F ZINC000765252937 1055344671 /nfs/dbraw/zinc/34/46/71/1055344671.db2.gz UBOWHFBCRGUMIU-DLBZAZTESA-N 2 2 321.415 4.317 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2ccccc2n1 ZINC000765253605 1055344843 /nfs/dbraw/zinc/34/48/43/1055344843.db2.gz GWRWWYXPPJAORT-BEFAXECRSA-N 2 2 322.456 4.197 20 0 DIADLP CC(C)[N@H+](Cc1cccc(OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001237106038 1055372745 /nfs/dbraw/zinc/37/27/45/1055372745.db2.gz LRUIJJQTSUWNGE-UHFFFAOYSA-N 2 2 318.505 4.169 20 0 DIADLP CC(C)[N@@H+](Cc1cccc(OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001237106038 1055372765 /nfs/dbraw/zinc/37/27/65/1055372765.db2.gz LRUIJJQTSUWNGE-UHFFFAOYSA-N 2 2 318.505 4.169 20 0 DIADLP CC(C)c1ccccc1C[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237310979 1055423286 /nfs/dbraw/zinc/42/32/86/1055423286.db2.gz MQOJVUFIUXXBAP-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP CC(C)c1ccccc1C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237310979 1055423297 /nfs/dbraw/zinc/42/32/97/1055423297.db2.gz MQOJVUFIUXXBAP-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP CC(C)c1cccc(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237311393 1055423353 /nfs/dbraw/zinc/42/33/53/1055423353.db2.gz RCDNIPKAMIJQQJ-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP CC(C)c1cccc(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237311393 1055423360 /nfs/dbraw/zinc/42/33/60/1055423360.db2.gz RCDNIPKAMIJQQJ-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP Cc1cc(F)cc(C)c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237333491 1055431376 /nfs/dbraw/zinc/43/13/76/1055431376.db2.gz LFBVFHOYMLICBU-UHFFFAOYSA-N 2 2 318.480 4.281 20 0 DIADLP Cc1cc(F)cc(C)c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237333491 1055431380 /nfs/dbraw/zinc/43/13/80/1055431380.db2.gz LFBVFHOYMLICBU-UHFFFAOYSA-N 2 2 318.480 4.281 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237351809 1055436671 /nfs/dbraw/zinc/43/66/71/1055436671.db2.gz AIOQLPIHCJECSH-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237351809 1055436675 /nfs/dbraw/zinc/43/66/75/1055436675.db2.gz AIOQLPIHCJECSH-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP c1cc2cc(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)ccc2o1 ZINC001237367266 1055442557 /nfs/dbraw/zinc/44/25/57/1055442557.db2.gz WQAVNPZMCKFCJT-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP Cc1ccc2c(cc[nH+]c2N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168543830 1055461524 /nfs/dbraw/zinc/46/15/24/1055461524.db2.gz FPWUJJILPRHOIU-MRXNPFEDSA-N 2 2 303.409 4.127 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C)C1 ZINC001237732608 1055515350 /nfs/dbraw/zinc/51/53/50/1055515350.db2.gz MTPPQLZTVNQOHM-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001237732608 1055515362 /nfs/dbraw/zinc/51/53/62/1055515362.db2.gz MTPPQLZTVNQOHM-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCn4cccc4[C@H]3C)cc21 ZINC001237885167 1055551116 /nfs/dbraw/zinc/55/11/16/1055551116.db2.gz GMCOCHOJBSNUBK-MRXNPFEDSA-N 2 2 321.468 4.066 20 0 DIADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCn4cccc4[C@H]3C)cc21 ZINC001237885167 1055551127 /nfs/dbraw/zinc/55/11/27/1055551127.db2.gz GMCOCHOJBSNUBK-MRXNPFEDSA-N 2 2 321.468 4.066 20 0 DIADLP Clc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238111727 1055608068 /nfs/dbraw/zinc/60/80/68/1055608068.db2.gz WVRSVCKYFYCNTA-SFHVURJKSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1cccc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)c1 ZINC001238111727 1055608079 /nfs/dbraw/zinc/60/80/79/1055608079.db2.gz WVRSVCKYFYCNTA-SFHVURJKSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113827 1055608944 /nfs/dbraw/zinc/60/89/44/1055608944.db2.gz MUALWNTXNOWOQS-GOSISDBHSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113827 1055608948 /nfs/dbraw/zinc/60/89/48/1055608948.db2.gz MUALWNTXNOWOQS-GOSISDBHSA-N 2 2 311.816 4.325 20 0 DIADLP Cc1c(Cl)ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC001238223535 1055625127 /nfs/dbraw/zinc/62/51/27/1055625127.db2.gz QBRCXFBOJVIVFH-UHFFFAOYSA-N 2 2 320.908 4.407 20 0 DIADLP CCCCCCc1ccc(C[NH+]2CCC([NH+](C)C)CC2)s1 ZINC001238712913 1055731092 /nfs/dbraw/zinc/73/10/92/1055731092.db2.gz GHYWULYUBUJDLK-UHFFFAOYSA-N 2 2 308.535 4.397 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000057681770 1055786591 /nfs/dbraw/zinc/78/65/91/1055786591.db2.gz OTGXUECMQZLPMY-NRFANRHFSA-N 2 2 308.469 4.230 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4ccccc43)cc2)C1 ZINC001239471030 1055895678 /nfs/dbraw/zinc/89/56/78/1055895678.db2.gz DZAWDJOJMVNSTC-LJQANCHMSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4ccccc43)cc2)C1 ZINC001239471030 1055895687 /nfs/dbraw/zinc/89/56/87/1055895687.db2.gz DZAWDJOJMVNSTC-LJQANCHMSA-N 2 2 302.421 4.040 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)cc1 ZINC001620987668 1055959760 /nfs/dbraw/zinc/95/97/60/1055959760.db2.gz CMCQJRCYRRBICB-VXKWHMMOSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)cc1 ZINC001620987668 1055959771 /nfs/dbraw/zinc/95/97/71/1055959771.db2.gz CMCQJRCYRRBICB-VXKWHMMOSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)cc1 ZINC001620987669 1055960291 /nfs/dbraw/zinc/96/02/91/1055960291.db2.gz CMCQJRCYRRBICB-YADHBBJMSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)cc1 ZINC001620987669 1055960301 /nfs/dbraw/zinc/96/03/01/1055960301.db2.gz CMCQJRCYRRBICB-YADHBBJMSA-N 2 2 320.480 4.460 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC001621121492 1055962082 /nfs/dbraw/zinc/96/20/82/1055962082.db2.gz HJQBOYOFQFXOTK-PBHICJAKSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC001621121492 1055962092 /nfs/dbraw/zinc/96/20/92/1055962092.db2.gz HJQBOYOFQFXOTK-PBHICJAKSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001621121492 1055962106 /nfs/dbraw/zinc/96/21/06/1055962106.db2.gz HJQBOYOFQFXOTK-PBHICJAKSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001621121492 1055962114 /nfs/dbraw/zinc/96/21/14/1055962114.db2.gz HJQBOYOFQFXOTK-PBHICJAKSA-N 2 2 324.896 4.043 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CCCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC001621009159 1055975709 /nfs/dbraw/zinc/97/57/09/1055975709.db2.gz TVJLFWXCEKECBL-LJQANCHMSA-N 2 2 300.490 4.209 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CCCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC001621009159 1055975721 /nfs/dbraw/zinc/97/57/21/1055975721.db2.gz TVJLFWXCEKECBL-LJQANCHMSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748198 1055993187 /nfs/dbraw/zinc/99/31/87/1055993187.db2.gz MXKKSGVZBPNFQC-RLLQIKCJSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001620748198 1055993197 /nfs/dbraw/zinc/99/31/97/1055993197.db2.gz MXKKSGVZBPNFQC-RLLQIKCJSA-N 2 2 314.517 4.455 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239661535 1056010135 /nfs/dbraw/zinc/01/01/35/1056010135.db2.gz IUKWHBHEIPXWLD-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239661535 1056010145 /nfs/dbraw/zinc/01/01/45/1056010145.db2.gz IUKWHBHEIPXWLD-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001168602534 1056019857 /nfs/dbraw/zinc/01/98/57/1056019857.db2.gz RPLJZTQIUAAJTQ-HKUYNNGSSA-N 2 2 303.494 4.126 20 0 DIADLP CC[C@H](C)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347648042 1056264649 /nfs/dbraw/zinc/26/46/49/1056264649.db2.gz GGDFHBFKFAYHPS-HNNXBMFYSA-N 2 2 317.502 4.005 20 0 DIADLP CC[C@H](C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347648042 1056264657 /nfs/dbraw/zinc/26/46/57/1056264657.db2.gz GGDFHBFKFAYHPS-HNNXBMFYSA-N 2 2 317.502 4.005 20 0 DIADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805043 1056357858 /nfs/dbraw/zinc/35/78/58/1056357858.db2.gz ANVINDRZPUVTQS-AKZYDZMLSA-N 2 2 320.443 4.062 20 0 DIADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474805043 1056357875 /nfs/dbraw/zinc/35/78/75/1056357875.db2.gz ANVINDRZPUVTQS-AKZYDZMLSA-N 2 2 320.443 4.062 20 0 DIADLP Cc1cc2[nH+]ccn2cc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240169701 1056362921 /nfs/dbraw/zinc/36/29/21/1056362921.db2.gz RCJXHACIKVCGKT-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013734506 1056426753 /nfs/dbraw/zinc/42/67/53/1056426753.db2.gz PWZNTOMVDUTTTH-UHFFFAOYSA-N 2 2 320.864 4.422 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC001615226874 1056480855 /nfs/dbraw/zinc/48/08/55/1056480855.db2.gz VVUROOZXURLUQN-FQEVSTJZSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC001615226874 1056480861 /nfs/dbraw/zinc/48/08/61/1056480861.db2.gz VVUROOZXURLUQN-FQEVSTJZSA-N 2 2 309.457 4.335 20 0 DIADLP Fc1ccccc1C[N@H+](CCC[NH+]1CCCCC1)C1CCC1 ZINC001616338792 1056636757 /nfs/dbraw/zinc/63/67/57/1056636757.db2.gz PVKIQSXLKRBOIZ-UHFFFAOYSA-N 2 2 304.453 4.056 20 0 DIADLP Fc1ccccc1C[N@@H+](CCC[NH+]1CCCCC1)C1CCC1 ZINC001616338792 1056636769 /nfs/dbraw/zinc/63/67/69/1056636769.db2.gz PVKIQSXLKRBOIZ-UHFFFAOYSA-N 2 2 304.453 4.056 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C)(C(C)C)CC1 ZINC001617365979 1056821354 /nfs/dbraw/zinc/82/13/54/1056821354.db2.gz FBNCAUOBIHLAJV-UHFFFAOYSA-N 2 2 311.473 4.439 20 0 DIADLP CCCCOc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241021548 1056822286 /nfs/dbraw/zinc/82/22/86/1056822286.db2.gz LRANMWDWYXNUJI-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241021548 1056822295 /nfs/dbraw/zinc/82/22/95/1056822295.db2.gz LRANMWDWYXNUJI-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001241251795 1056980775 /nfs/dbraw/zinc/98/07/75/1056980775.db2.gz KGSYEDQKDDUWBM-UHFFFAOYSA-N 2 2 315.436 4.104 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2Cc3cccc(Cl)c3C2)c1 ZINC001168715519 1056985464 /nfs/dbraw/zinc/98/54/64/1056985464.db2.gz OREQBFIUHWZZPM-MRXNPFEDSA-N 2 2 323.827 4.002 20 0 DIADLP CCCCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241269498 1056989506 /nfs/dbraw/zinc/98/95/06/1056989506.db2.gz SEYRJXNAPZCZSE-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241269498 1056989512 /nfs/dbraw/zinc/98/95/12/1056989512.db2.gz SEYRJXNAPZCZSE-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241294709 1057000661 /nfs/dbraw/zinc/00/06/61/1057000661.db2.gz JWALFVUAOXAEOH-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241294709 1057000670 /nfs/dbraw/zinc/00/06/70/1057000670.db2.gz JWALFVUAOXAEOH-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)c1ccccc1 ZINC000657815759 1057017588 /nfs/dbraw/zinc/01/75/88/1057017588.db2.gz IKEXXQLOWHNFAE-GOEBONIOSA-N 2 2 312.448 4.339 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccsc32)C1 ZINC001241403372 1057041089 /nfs/dbraw/zinc/04/10/89/1057041089.db2.gz CJYVIMMKHAVCGG-INIZCTEOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccsc32)C1 ZINC001241403372 1057041095 /nfs/dbraw/zinc/04/10/95/1057041095.db2.gz CJYVIMMKHAVCGG-INIZCTEOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4ccsc43)c2)C1 ZINC001241404141 1057041730 /nfs/dbraw/zinc/04/17/30/1057041730.db2.gz NBOFMMYZSDICNH-KRWDZBQOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4ccsc43)c2)C1 ZINC001241404141 1057041735 /nfs/dbraw/zinc/04/17/35/1057041735.db2.gz NBOFMMYZSDICNH-KRWDZBQOSA-N 2 2 308.450 4.101 20 0 DIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000922673750 1057048203 /nfs/dbraw/zinc/04/82/03/1057048203.db2.gz QPHZXWPWZGPHKJ-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP CC(C)Sc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001241611413 1057109470 /nfs/dbraw/zinc/10/94/70/1057109470.db2.gz UBYMNZQFYCDKMM-UHFFFAOYSA-N 2 2 323.465 4.189 20 0 DIADLP CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347816071 1057137948 /nfs/dbraw/zinc/13/79/48/1057137948.db2.gz OBPQKUDGBCAZEL-SFHVURJKSA-N 2 2 317.502 4.034 20 0 DIADLP CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347816071 1057137950 /nfs/dbraw/zinc/13/79/50/1057137950.db2.gz OBPQKUDGBCAZEL-SFHVURJKSA-N 2 2 317.502 4.034 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000675731659 1057406006 /nfs/dbraw/zinc/40/60/06/1057406006.db2.gz MTZBBYKSHCZIAP-QGZVFWFLSA-N 2 2 324.468 4.109 20 0 DIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1F ZINC000675918259 1057430632 /nfs/dbraw/zinc/43/06/32/1057430632.db2.gz FXGYAVIMTYFIDD-DNVCBOLYSA-N 2 2 323.415 4.194 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920459 1057430788 /nfs/dbraw/zinc/43/07/88/1057430788.db2.gz RLXYTIZBWKWPNF-FXAWDEMLSA-N 2 2 319.452 4.363 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1F ZINC000675918258 1057431019 /nfs/dbraw/zinc/43/10/19/1057431019.db2.gz FXGYAVIMTYFIDD-BEFAXECRSA-N 2 2 323.415 4.194 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920465 1057431339 /nfs/dbraw/zinc/43/13/39/1057431339.db2.gz RLXYTIZBWKWPNF-YLJYHZDGSA-N 2 2 319.452 4.363 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920238 1057431450 /nfs/dbraw/zinc/43/14/50/1057431450.db2.gz JQNYZTONCAFUDF-PKOBYXMFSA-N 2 2 311.473 4.428 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC000675923709 1057431870 /nfs/dbraw/zinc/43/18/70/1057431870.db2.gz TYMOMAMBLJXWII-ZCNNSNEGSA-N 2 2 323.484 4.262 20 0 DIADLP Cc1ccc2ccccc2c1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242984718 1057535955 /nfs/dbraw/zinc/53/59/55/1057535955.db2.gz ITSBJHQVSCVXTP-FQEVSTJZSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc2ccccc2c1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242984718 1057535958 /nfs/dbraw/zinc/53/59/58/1057535958.db2.gz ITSBJHQVSCVXTP-FQEVSTJZSA-N 2 2 316.448 4.348 20 0 DIADLP CC[NH+](CC)Cc1ccccc1-c1cc[nH+]c(N2CCCC2)c1 ZINC001243336578 1057650607 /nfs/dbraw/zinc/65/06/07/1057650607.db2.gz YKEPJDWDTUHBSM-UHFFFAOYSA-N 2 2 309.457 4.191 20 0 DIADLP CC(C)CC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766188945 1057658627 /nfs/dbraw/zinc/65/86/27/1057658627.db2.gz DLNKWYFZHDBPCK-QGZVFWFLSA-N 2 2 317.521 4.136 20 0 DIADLP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000168204894 1057688803 /nfs/dbraw/zinc/68/88/03/1057688803.db2.gz HBNXZPHWELXAFY-OLZOCXBDSA-N 2 2 324.428 4.197 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000731451077 1057744064 /nfs/dbraw/zinc/74/40/64/1057744064.db2.gz ITXCZBUEPFQFFZ-YWZLYKJASA-N 2 2 303.409 4.210 20 0 DIADLP Cc1c(-c2ccc(C3CC[NH+](C)CC3)cc2)ccc2[nH+]ccn21 ZINC001243654418 1057744854 /nfs/dbraw/zinc/74/48/54/1057744854.db2.gz IMXTUGKCKVNJPX-UHFFFAOYSA-N 2 2 305.425 4.119 20 0 DIADLP Cc1cc(-c2ccc(C3CC[NH+](C)CC3)cc2)c2[nH+]ccn2c1 ZINC001243654897 1057744966 /nfs/dbraw/zinc/74/49/66/1057744966.db2.gz MPNWEQGVPYHBNV-UHFFFAOYSA-N 2 2 305.425 4.119 20 0 DIADLP Fc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1[C@H]1CCC[NH2+]1 ZINC001243663611 1057748817 /nfs/dbraw/zinc/74/88/17/1057748817.db2.gz YGLLSWLFYTXTET-HXUWFJFHSA-N 2 2 321.399 4.162 20 0 DIADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C(C)C ZINC001244134135 1057882968 /nfs/dbraw/zinc/88/29/68/1057882968.db2.gz MIWCYALDRSZSJN-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C(C)C ZINC001244134135 1057882974 /nfs/dbraw/zinc/88/29/74/1057882974.db2.gz MIWCYALDRSZSJN-LJQANCHMSA-N 2 2 324.468 4.019 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244275640 1057921132 /nfs/dbraw/zinc/92/11/32/1057921132.db2.gz ATPPZXHFPWHSMB-HXUWFJFHSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1cc(C2CC2)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244275640 1057921134 /nfs/dbraw/zinc/92/11/34/1057921134.db2.gz ATPPZXHFPWHSMB-HXUWFJFHSA-N 2 2 306.453 4.072 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4sccc4c3)c2)C1 ZINC001244298252 1057926745 /nfs/dbraw/zinc/92/67/45/1057926745.db2.gz PGHQQGOSVABINP-SFHVURJKSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4sccc4c3)c2)C1 ZINC001244298252 1057926748 /nfs/dbraw/zinc/92/67/48/1057926748.db2.gz PGHQQGOSVABINP-SFHVURJKSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(C3CCC3)c2)C1 ZINC001244980656 1058085424 /nfs/dbraw/zinc/08/54/24/1058085424.db2.gz HJLPLDYYHRVLRR-HXUWFJFHSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(C3CCC3)c2)C1 ZINC001244980656 1058085426 /nfs/dbraw/zinc/08/54/26/1058085426.db2.gz HJLPLDYYHRVLRR-HXUWFJFHSA-N 2 2 306.453 4.154 20 0 DIADLP c1cn(-c2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC001245524202 1058197121 /nfs/dbraw/zinc/19/71/21/1058197121.db2.gz OOACFCUHKNUWDI-UHFFFAOYSA-N 2 2 303.409 4.006 20 0 DIADLP c1cn(Cc2ccccc2-c2ccc(C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001245527335 1058204337 /nfs/dbraw/zinc/20/43/37/1058204337.db2.gz WGJVBSVRJPXANE-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1Cl ZINC001245826717 1058521766 /nfs/dbraw/zinc/52/17/66/1058521766.db2.gz PNQURVDMEGVQCJ-INIZCTEOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1Cl ZINC001245826717 1058521788 /nfs/dbraw/zinc/52/17/88/1058521788.db2.gz PNQURVDMEGVQCJ-INIZCTEOSA-N 2 2 314.860 4.157 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246074785 1058667598 /nfs/dbraw/zinc/66/75/98/1058667598.db2.gz FMGYLXZCJODFSX-UHTWSYAYSA-N 2 2 301.261 4.175 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246143281 1058696089 /nfs/dbraw/zinc/69/60/89/1058696089.db2.gz PUJWULSGJWWAPE-BDTNDASRSA-N 2 2 322.496 4.481 20 0 DIADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246160113 1058702345 /nfs/dbraw/zinc/70/23/45/1058702345.db2.gz SFIWPSFTCQAWQK-CYBMUJFWSA-N 2 2 310.844 4.024 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(C)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246161542 1058705232 /nfs/dbraw/zinc/70/52/32/1058705232.db2.gz ZWIAHEYDRYGKLO-BTTYYORXSA-N 2 2 312.860 4.186 20 0 DIADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246162504 1058707117 /nfs/dbraw/zinc/70/71/17/1058707117.db2.gz ZMKWMBFFWDKVQS-AEFFLSMTSA-N 2 2 318.823 4.062 20 0 DIADLP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246163953 1058708757 /nfs/dbraw/zinc/70/87/57/1058708757.db2.gz RIMDRJCULRJILO-NVXWUHKLSA-N 2 2 318.823 4.062 20 0 DIADLP c1ccc(C[NH2+]CC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001246165112 1058709316 /nfs/dbraw/zinc/70/93/16/1058709316.db2.gz GAFXRKRGVAZREG-NHCUHLMSSA-N 2 2 308.469 4.092 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246164240 1058710581 /nfs/dbraw/zinc/71/05/81/1058710581.db2.gz ULNKKJGTPQTVQE-KBPBESRZSA-N 2 2 312.860 4.188 20 0 DIADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246167737 1058713051 /nfs/dbraw/zinc/71/30/51/1058713051.db2.gz AOGGHZYHZVBYJA-UKRRQHHQSA-N 2 2 315.288 4.250 20 0 DIADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170794 1058713594 /nfs/dbraw/zinc/71/35/94/1058713594.db2.gz NBMJYQADIHIBEJ-WMZOPIPTSA-N 2 2 318.823 4.062 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)C[C@H](CC)[NH2+]1 ZINC001246208578 1058743481 /nfs/dbraw/zinc/74/34/81/1058743481.db2.gz BVQVLHAGWNRWRS-FICVDOATSA-N 2 2 306.881 4.228 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210062 1058743605 /nfs/dbraw/zinc/74/36/05/1058743605.db2.gz IASDNOZPOUDQCP-BBRMVZONSA-N 2 2 306.881 4.085 20 0 DIADLP Clc1ccccc1C1([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246211847 1058745112 /nfs/dbraw/zinc/74/51/12/1058745112.db2.gz ODVBGMJGXKVWEU-HNNXBMFYSA-N 2 2 318.892 4.374 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@H](CC)[NH2+]1 ZINC001246229590 1058752643 /nfs/dbraw/zinc/75/26/43/1058752643.db2.gz DMRWNCHWIPKDPS-RYUDHWBXSA-N 2 2 316.823 4.017 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC001246255361 1058774053 /nfs/dbraw/zinc/77/40/53/1058774053.db2.gz WSIRHLVPVOWTOE-OLZOCXBDSA-N 2 2 313.272 4.103 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)c1 ZINC001246262940 1058780128 /nfs/dbraw/zinc/78/01/28/1058780128.db2.gz JLVSYNGSGANULD-MJGOQNOKSA-N 2 2 314.860 4.231 20 0 DIADLP Fc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC001246308391 1058815936 /nfs/dbraw/zinc/81/59/36/1058815936.db2.gz QWVRLTFSKRCRTE-IOMROCGXSA-N 2 2 324.443 4.360 20 0 DIADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC001246308389 1058817102 /nfs/dbraw/zinc/81/71/02/1058817102.db2.gz QWVRLTFSKRCRTE-DUXKGJEZSA-N 2 2 324.443 4.360 20 0 DIADLP CC(C)([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1F ZINC001246349597 1058863081 /nfs/dbraw/zinc/86/30/81/1058863081.db2.gz NBMFBATWZHVZJE-LPHOPBHVSA-N 2 2 312.432 4.144 20 0 DIADLP CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC[NH2+]1 ZINC001246353323 1058865668 /nfs/dbraw/zinc/86/56/68/1058865668.db2.gz ZQOYWKDYWOZEOL-NSHDSACASA-N 2 2 321.679 4.267 20 0 DIADLP COc1ccccc1C(C)(C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246360783 1058870053 /nfs/dbraw/zinc/87/00/53/1058870053.db2.gz IATDAOVMWQIZSW-IEBWSBKVSA-N 2 2 324.468 4.013 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(F)c1F ZINC001246376846 1058884340 /nfs/dbraw/zinc/88/43/40/1058884340.db2.gz CBMPJTRGXYAALN-KGLIPLIRSA-N 2 2 308.416 4.070 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)c1cc(F)ccc1F ZINC001246395180 1058899220 /nfs/dbraw/zinc/89/92/20/1058899220.db2.gz KZLWVBCQPBWSGA-ZFWWWQNUSA-N 2 2 308.416 4.070 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246493053 1058968663 /nfs/dbraw/zinc/96/86/63/1058968663.db2.gz YECZVMGXVHPDRX-MQYQWHSLSA-N 2 2 312.860 4.439 20 0 DIADLP CC[N@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C3CCC3)n2)c1 ZINC001559080639 1058971672 /nfs/dbraw/zinc/97/16/72/1058971672.db2.gz NRVHBDRVVIHLRC-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DIADLP CC[N@@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C3CCC3)n2)c1 ZINC001559080639 1058971690 /nfs/dbraw/zinc/97/16/90/1058971690.db2.gz NRVHBDRVVIHLRC-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DIADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614388 1059025790 /nfs/dbraw/zinc/02/57/90/1059025790.db2.gz NZDWKTZAKZNNAF-IEBWSBKVSA-N 2 2 318.530 4.084 20 0 DIADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614388 1059025813 /nfs/dbraw/zinc/02/58/13/1059025813.db2.gz NZDWKTZAKZNNAF-IEBWSBKVSA-N 2 2 318.530 4.084 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246615993 1059031605 /nfs/dbraw/zinc/03/16/05/1059031605.db2.gz ZKHQSIXXEXZJFP-AWEZNQCLSA-N 2 2 324.871 4.018 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639011 1059043846 /nfs/dbraw/zinc/04/38/46/1059043846.db2.gz NSJYYNILRSVTMX-ZPMCFJSWSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246639011 1059043868 /nfs/dbraw/zinc/04/38/68/1059043868.db2.gz NSJYYNILRSVTMX-ZPMCFJSWSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246642980 1059047406 /nfs/dbraw/zinc/04/74/06/1059047406.db2.gz NSJYYNILRSVTMX-BULFRSBZSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246642980 1059047428 /nfs/dbraw/zinc/04/74/28/1059047428.db2.gz NSJYYNILRSVTMX-BULFRSBZSA-N 2 2 320.480 4.033 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246770236 1059075954 /nfs/dbraw/zinc/07/59/54/1059075954.db2.gz NSRZWUPLBSOLGK-PKOBYXMFSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246770236 1059075976 /nfs/dbraw/zinc/07/59/76/1059075976.db2.gz NSRZWUPLBSOLGK-PKOBYXMFSA-N 2 2 314.860 4.265 20 0 DIADLP CCC(C)(C)C1CCC([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246828095 1059114408 /nfs/dbraw/zinc/11/44/08/1059114408.db2.gz WGIYKFLWOJTXKG-FUUBYGMNSA-N 2 2 320.443 4.193 20 0 DIADLP CCC(C)(C)C1CCC([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246828095 1059114431 /nfs/dbraw/zinc/11/44/31/1059114431.db2.gz WGIYKFLWOJTXKG-FUUBYGMNSA-N 2 2 320.443 4.193 20 0 DIADLP CC[C@H](CC(C)C)[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001246833366 1059115389 /nfs/dbraw/zinc/11/53/89/1059115389.db2.gz KLKIMUNVTWEBDP-GUDVDZBRSA-N 2 2 306.469 4.013 20 0 DIADLP CC[C@H](CC(C)C)[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001246833366 1059115398 /nfs/dbraw/zinc/11/53/98/1059115398.db2.gz KLKIMUNVTWEBDP-GUDVDZBRSA-N 2 2 306.469 4.013 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCC[C@@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246834903 1059115765 /nfs/dbraw/zinc/11/57/65/1059115765.db2.gz KAXVHUJDJSWZTK-BQJUDKOJSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCC[C@@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246834903 1059115774 /nfs/dbraw/zinc/11/57/74/1059115774.db2.gz KAXVHUJDJSWZTK-BQJUDKOJSA-N 2 2 312.501 4.004 20 0 DIADLP COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246841077 1059117559 /nfs/dbraw/zinc/11/75/59/1059117559.db2.gz SRKWXXSRIAKJSY-ILZDJORESA-N 2 2 324.468 4.181 20 0 DIADLP COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246841077 1059117568 /nfs/dbraw/zinc/11/75/68/1059117568.db2.gz SRKWXXSRIAKJSY-ILZDJORESA-N 2 2 324.468 4.181 20 0 DIADLP COc1ccccc1[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246841080 1059117726 /nfs/dbraw/zinc/11/77/26/1059117726.db2.gz SRKWXXSRIAKJSY-XKGZKEIXSA-N 2 2 324.468 4.181 20 0 DIADLP COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246841080 1059117737 /nfs/dbraw/zinc/11/77/37/1059117737.db2.gz SRKWXXSRIAKJSY-XKGZKEIXSA-N 2 2 324.468 4.181 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845424 1059122159 /nfs/dbraw/zinc/12/21/59/1059122159.db2.gz GACSDNPCDODOJO-HOTGVXAUSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845424 1059122175 /nfs/dbraw/zinc/12/21/75/1059122175.db2.gz GACSDNPCDODOJO-HOTGVXAUSA-N 2 2 306.881 4.009 20 0 DIADLP C[NH2+]CC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1Oc1ccccc1 ZINC001246843062 1059123105 /nfs/dbraw/zinc/12/31/05/1059123105.db2.gz IFOHNNJVIGFGDE-OAHLLOKOSA-N 2 2 316.420 4.048 20 0 DIADLP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1Oc1ccccc1 ZINC001246843062 1059123110 /nfs/dbraw/zinc/12/31/10/1059123110.db2.gz IFOHNNJVIGFGDE-OAHLLOKOSA-N 2 2 316.420 4.048 20 0 DIADLP C[N@H+](C/C=C/c1ccccc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846098 1059124566 /nfs/dbraw/zinc/12/45/66/1059124566.db2.gz PBFHXCPZZPRLSC-GEDDFEBSSA-N 2 2 306.453 4.125 20 0 DIADLP C[N@@H+](C/C=C/c1ccccc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846098 1059124582 /nfs/dbraw/zinc/12/45/82/1059124582.db2.gz PBFHXCPZZPRLSC-GEDDFEBSSA-N 2 2 306.453 4.125 20 0 DIADLP Clc1cccc2c1C[N@@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246868000 1059142698 /nfs/dbraw/zinc/14/26/98/1059142698.db2.gz MDZSQZSNNFCWRE-LPHOPBHVSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1cccc2c1C[N@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246868000 1059142708 /nfs/dbraw/zinc/14/27/08/1059142708.db2.gz MDZSQZSNNFCWRE-LPHOPBHVSA-N 2 2 312.844 4.149 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901900 1059163062 /nfs/dbraw/zinc/16/30/62/1059163062.db2.gz PMWVXVLPLAMKNS-XYPHTWIQSA-N 2 2 322.443 4.268 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901900 1059163072 /nfs/dbraw/zinc/16/30/72/1059163072.db2.gz PMWVXVLPLAMKNS-XYPHTWIQSA-N 2 2 322.443 4.268 20 0 DIADLP CC[C@@H]1C[C@H]([N@H+](CC)Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246906749 1059167248 /nfs/dbraw/zinc/16/72/48/1059167248.db2.gz GKZBCKQNZRYDBK-ZSHCYNCHSA-N 2 2 310.432 4.096 20 0 DIADLP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246906749 1059167257 /nfs/dbraw/zinc/16/72/57/1059167257.db2.gz GKZBCKQNZRYDBK-ZSHCYNCHSA-N 2 2 310.432 4.096 20 0 DIADLP CCCCC(CCCC)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952656 1059198230 /nfs/dbraw/zinc/19/82/30/1059198230.db2.gz LONOORFIDGIKEL-FQEVSTJZSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC(CCCC)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952656 1059198240 /nfs/dbraw/zinc/19/82/40/1059198240.db2.gz LONOORFIDGIKEL-FQEVSTJZSA-N 2 2 317.521 4.385 20 0 DIADLP CCCC[C@@H](CC(C)C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954105 1059200527 /nfs/dbraw/zinc/20/05/27/1059200527.db2.gz XFAUHBHUCZRBGW-PMACEKPBSA-N 2 2 317.521 4.241 20 0 DIADLP CCCC[C@@H](CC(C)C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954105 1059200537 /nfs/dbraw/zinc/20/05/37/1059200537.db2.gz XFAUHBHUCZRBGW-PMACEKPBSA-N 2 2 317.521 4.241 20 0 DIADLP CC(C)CC(CC(C)C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952983 1059200566 /nfs/dbraw/zinc/20/05/66/1059200566.db2.gz NTJJGBGXXHKMOR-IBGZPJMESA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)CC(CC(C)C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952983 1059200582 /nfs/dbraw/zinc/20/05/82/1059200582.db2.gz NTJJGBGXXHKMOR-IBGZPJMESA-N 2 2 317.521 4.096 20 0 DIADLP CC[C@@H]1CC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961628 1059208262 /nfs/dbraw/zinc/20/82/62/1059208262.db2.gz GZOJYHMNIFAECL-GDBMZVCRSA-N 2 2 322.443 4.098 20 0 DIADLP CC[C@@H]1CC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961628 1059208280 /nfs/dbraw/zinc/20/82/80/1059208280.db2.gz GZOJYHMNIFAECL-GDBMZVCRSA-N 2 2 322.443 4.098 20 0 DIADLP CCCC[C@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960772 1059208483 /nfs/dbraw/zinc/20/84/83/1059208483.db2.gz CDOKJVBTXSKHJJ-AWEZNQCLSA-N 2 2 310.432 4.098 20 0 DIADLP CCCC[C@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960772 1059208498 /nfs/dbraw/zinc/20/84/98/1059208498.db2.gz CDOKJVBTXSKHJJ-AWEZNQCLSA-N 2 2 310.432 4.098 20 0 DIADLP CCCCC[C@@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965728 1059211674 /nfs/dbraw/zinc/21/16/74/1059211674.db2.gz RBEAFSYKNBZQJG-OAHLLOKOSA-N 2 2 324.459 4.488 20 0 DIADLP CCCCC[C@@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965728 1059211690 /nfs/dbraw/zinc/21/16/90/1059211690.db2.gz RBEAFSYKNBZQJG-OAHLLOKOSA-N 2 2 324.459 4.488 20 0 DIADLP CCCCC(CCCC)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246966522 1059213863 /nfs/dbraw/zinc/21/38/63/1059213863.db2.gz YJZDUKLYHUDOSK-FQEVSTJZSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC(CCCC)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246966522 1059213882 /nfs/dbraw/zinc/21/38/82/1059213882.db2.gz YJZDUKLYHUDOSK-FQEVSTJZSA-N 2 2 317.521 4.385 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978775 1059221801 /nfs/dbraw/zinc/22/18/01/1059221801.db2.gz MPEMRXKXIIJVJH-KBMXLJTQSA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978775 1059221824 /nfs/dbraw/zinc/22/18/24/1059221824.db2.gz MPEMRXKXIIJVJH-KBMXLJTQSA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978772 1059225047 /nfs/dbraw/zinc/22/50/47/1059225047.db2.gz MPEMRXKXIIJVJH-FVQBIDKESA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978772 1059225065 /nfs/dbraw/zinc/22/50/65/1059225065.db2.gz MPEMRXKXIIJVJH-FVQBIDKESA-N 2 2 318.427 4.104 20 0 DIADLP CC(C)c1ccc[nH+]c1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001248413924 1059818265 /nfs/dbraw/zinc/81/82/65/1059818265.db2.gz LADYUXKLESBGRM-UHFFFAOYSA-N 2 2 313.445 4.279 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001560050749 1059868359 /nfs/dbraw/zinc/86/83/59/1059868359.db2.gz JDUSHGKYDJCUOR-UHFFFAOYSA-N 2 2 322.443 4.465 20 0 DIADLP CC[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC001560059528 1059875011 /nfs/dbraw/zinc/87/50/11/1059875011.db2.gz SHQKXSQGXPCVPM-HXUWFJFHSA-N 2 2 323.415 4.426 20 0 DIADLP CC1(C)CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC001560091905 1059901643 /nfs/dbraw/zinc/90/16/43/1059901643.db2.gz DGYCGXLKRXYDES-MOPGFXCFSA-N 2 2 311.473 4.225 20 0 DIADLP CC1(C)CCCC[C@@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560098570 1059908708 /nfs/dbraw/zinc/90/87/08/1059908708.db2.gz KTQBABJVDHXZFS-RTBURBONSA-N 2 2 311.473 4.430 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](SC)C1)c1ccccc1 ZINC001560249009 1060015118 /nfs/dbraw/zinc/01/51/18/1060015118.db2.gz ONHBNLQJHQMRHT-IPMKNSEASA-N 2 2 320.546 4.333 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)Cc1ccccc1 ZINC001560261933 1060030579 /nfs/dbraw/zinc/03/05/79/1060030579.db2.gz XYANPGGSWFKPNV-IHPCNDPISA-N 2 2 316.533 4.354 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001560290264 1060071419 /nfs/dbraw/zinc/07/14/19/1060071419.db2.gz QYKMASBZQKXJRJ-NVXWUHKLSA-N 2 2 313.420 4.093 20 0 DIADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC001560300977 1060085508 /nfs/dbraw/zinc/08/55/08/1060085508.db2.gz DIGSDWIEDSLZCJ-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP Clc1cccc(Cl)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001560311245 1060099036 /nfs/dbraw/zinc/09/90/36/1060099036.db2.gz MOTHDKZVMFNHGQ-UHFFFAOYSA-N 2 2 324.255 4.370 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001560318501 1060105050 /nfs/dbraw/zinc/10/50/50/1060105050.db2.gz PFBXDXHOVHCUAW-LSDHHAIUSA-N 2 2 303.475 4.238 20 0 DIADLP CC[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001560351097 1060135939 /nfs/dbraw/zinc/13/59/39/1060135939.db2.gz ROEORDCMHUTEKS-FXAWDEMLSA-N 2 2 314.517 4.034 20 0 DIADLP CC[N@H+](Cc1sc(Cl)c2ccccc21)C1CC[NH+](C)CC1 ZINC001249068374 1060141558 /nfs/dbraw/zinc/14/15/58/1060141558.db2.gz TWMLLPLZCQRUTC-UHFFFAOYSA-N 2 2 322.905 4.471 20 0 DIADLP CC[N@@H+](Cc1sc(Cl)c2ccccc21)C1CC[NH+](C)CC1 ZINC001249068374 1060141573 /nfs/dbraw/zinc/14/15/73/1060141573.db2.gz TWMLLPLZCQRUTC-UHFFFAOYSA-N 2 2 322.905 4.471 20 0 DIADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075051 1060144930 /nfs/dbraw/zinc/14/49/30/1060144930.db2.gz GSQRPMMDUYMYGT-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075051 1060144937 /nfs/dbraw/zinc/14/49/37/1060144937.db2.gz GSQRPMMDUYMYGT-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075051 1060144945 /nfs/dbraw/zinc/14/49/45/1060144945.db2.gz GSQRPMMDUYMYGT-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3sc(Cl)c4ccccc43)C2)C1 ZINC001249075051 1060144955 /nfs/dbraw/zinc/14/49/55/1060144955.db2.gz GSQRPMMDUYMYGT-KRWDZBQOSA-N 2 2 320.889 4.082 20 0 DIADLP Cc1oc(C(C)(C)C)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001560367957 1060155202 /nfs/dbraw/zinc/15/52/02/1060155202.db2.gz ZYTAUMNGVBMITQ-UHFFFAOYSA-N 2 2 318.505 4.382 20 0 DIADLP CC(C)(C)c1c[nH]c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001249479331 1060260969 /nfs/dbraw/zinc/26/09/69/1060260969.db2.gz YEDVDGWQYBYYMX-LJQANCHMSA-N 2 2 317.521 4.153 20 0 DIADLP CC(C)(C)c1c[nH]c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001249479331 1060260991 /nfs/dbraw/zinc/26/09/91/1060260991.db2.gz YEDVDGWQYBYYMX-LJQANCHMSA-N 2 2 317.521 4.153 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001560502858 1060298135 /nfs/dbraw/zinc/29/81/35/1060298135.db2.gz ZRPVXPCNDULPOM-FYWRMAATSA-N 2 2 306.881 4.207 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001560502858 1060298154 /nfs/dbraw/zinc/29/81/54/1060298154.db2.gz ZRPVXPCNDULPOM-FYWRMAATSA-N 2 2 306.881 4.207 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@@H](C3CCC3)C3CCCC3)c2)c[nH+]1 ZINC001560513731 1060311709 /nfs/dbraw/zinc/31/17/09/1060311709.db2.gz AQFFXYIPMOFXAO-GOSISDBHSA-N 2 2 315.486 4.382 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@H](C3CCC3)C3CCCC3)c2)c[nH+]1 ZINC001560513732 1060312294 /nfs/dbraw/zinc/31/22/94/1060312294.db2.gz AQFFXYIPMOFXAO-SFHVURJKSA-N 2 2 315.486 4.382 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]C[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001560535899 1060340517 /nfs/dbraw/zinc/34/05/17/1060340517.db2.gz PHTNSYLJODBSCA-LJQANCHMSA-N 2 2 308.469 4.154 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001560535899 1060340539 /nfs/dbraw/zinc/34/05/39/1060340539.db2.gz PHTNSYLJODBSCA-LJQANCHMSA-N 2 2 308.469 4.154 20 0 DIADLP Fc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278524253 1060344570 /nfs/dbraw/zinc/34/45/70/1060344570.db2.gz AXOBYCVCXSJCRP-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278524253 1060344592 /nfs/dbraw/zinc/34/45/92/1060344592.db2.gz AXOBYCVCXSJCRP-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278524253 1060344614 /nfs/dbraw/zinc/34/46/14/1060344614.db2.gz AXOBYCVCXSJCRP-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001278524253 1060344637 /nfs/dbraw/zinc/34/46/37/1060344637.db2.gz AXOBYCVCXSJCRP-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP CCC[C@@H](C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572785 1060384659 /nfs/dbraw/zinc/38/46/59/1060384659.db2.gz CICXJRJOMZSPHC-IEBWSBKVSA-N 2 2 302.506 4.455 20 0 DIADLP CCC[C@@H](C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572785 1060384675 /nfs/dbraw/zinc/38/46/75/1060384675.db2.gz CICXJRJOMZSPHC-IEBWSBKVSA-N 2 2 302.506 4.455 20 0 DIADLP Cc1cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c[nH+]c1N ZINC001249781678 1060398354 /nfs/dbraw/zinc/39/83/54/1060398354.db2.gz KILQVJBQAFROQZ-UHFFFAOYSA-N 2 2 318.302 4.283 20 0 DIADLP Cc1cc(Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c[nH+]c1N ZINC001249787183 1060401250 /nfs/dbraw/zinc/40/12/50/1060401250.db2.gz FYYIRMXKBNAOAM-UHFFFAOYSA-N 2 2 321.428 4.084 20 0 DIADLP CSC(C)(C)CC[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001560784692 1060647601 /nfs/dbraw/zinc/64/76/01/1060647601.db2.gz UHBCPQMVITZFEW-UHFFFAOYSA-N 2 2 312.567 4.154 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560789716 1060649822 /nfs/dbraw/zinc/64/98/22/1060649822.db2.gz GDAKQGGVYYIZAU-GOSISDBHSA-N 2 2 316.533 4.454 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560789716 1060649826 /nfs/dbraw/zinc/64/98/26/1060649826.db2.gz GDAKQGGVYYIZAU-GOSISDBHSA-N 2 2 316.533 4.454 20 0 DIADLP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1(C)C ZINC001560844737 1060699274 /nfs/dbraw/zinc/69/92/74/1060699274.db2.gz AJQIPCAMFZFDAA-GBESFXJTSA-N 2 2 324.553 4.070 20 0 DIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCC1 ZINC001560843579 1060699320 /nfs/dbraw/zinc/69/93/20/1060699320.db2.gz DIEOZCONAIZFPK-VQTJNVASSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCC1 ZINC001560843579 1060699327 /nfs/dbraw/zinc/69/93/27/1060699327.db2.gz DIEOZCONAIZFPK-VQTJNVASSA-N 2 2 312.501 4.209 20 0 DIADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001560843949 1060699801 /nfs/dbraw/zinc/69/98/01/1060699801.db2.gz OQBXWYFOCHSNNH-RTBURBONSA-N 2 2 300.490 4.065 20 0 DIADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001560843949 1060699806 /nfs/dbraw/zinc/69/98/06/1060699806.db2.gz OQBXWYFOCHSNNH-RTBURBONSA-N 2 2 300.490 4.065 20 0 DIADLP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)[C@@H](C)C1 ZINC000536849042 1060710150 /nfs/dbraw/zinc/71/01/50/1060710150.db2.gz ZFWMTTVZYQARGM-FIKGOQFSSA-N 2 2 323.484 4.128 20 0 DIADLP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)[C@@H](C)C1 ZINC000536849042 1060710166 /nfs/dbraw/zinc/71/01/66/1060710166.db2.gz ZFWMTTVZYQARGM-FIKGOQFSSA-N 2 2 323.484 4.128 20 0 DIADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000536849045 1060711560 /nfs/dbraw/zinc/71/15/60/1060711560.db2.gz ZFWMTTVZYQARGM-XGHQBKJUSA-N 2 2 323.484 4.128 20 0 DIADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000536849045 1060711573 /nfs/dbraw/zinc/71/15/73/1060711573.db2.gz ZFWMTTVZYQARGM-XGHQBKJUSA-N 2 2 323.484 4.128 20 0 DIADLP Cc1cc([NH+]2CCCCC2)ccc1Nc1ccc2c[nH+]cn2c1 ZINC001250331955 1060785289 /nfs/dbraw/zinc/78/52/89/1060785289.db2.gz MAWJHIPGYHFUII-UHFFFAOYSA-N 2 2 306.413 4.377 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945351 1060811129 /nfs/dbraw/zinc/81/11/29/1060811129.db2.gz XZAVMNMDYBFJTJ-JQHSSLGASA-N 2 2 306.881 4.050 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001560945351 1060811148 /nfs/dbraw/zinc/81/11/48/1060811148.db2.gz XZAVMNMDYBFJTJ-JQHSSLGASA-N 2 2 306.881 4.050 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001560961630 1060827149 /nfs/dbraw/zinc/82/71/49/1060827149.db2.gz RRJRLUFHLRKJAK-UYAOXDASSA-N 2 2 300.490 4.004 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001560961630 1060827158 /nfs/dbraw/zinc/82/71/58/1060827158.db2.gz RRJRLUFHLRKJAK-UYAOXDASSA-N 2 2 300.490 4.004 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC001560961392 1060827459 /nfs/dbraw/zinc/82/74/59/1060827459.db2.gz GLSJSNRZYJJUMA-VURMDHGXSA-N 2 2 316.464 4.179 20 0 DIADLP CC[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001560984466 1060849982 /nfs/dbraw/zinc/84/99/82/1060849982.db2.gz ZMZPWHOUSBAQTF-WIYYLYMNSA-N 2 2 319.452 4.408 20 0 DIADLP CC[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001560984463 1060850313 /nfs/dbraw/zinc/85/03/13/1060850313.db2.gz ZMZPWHOUSBAQTF-GHTZIAJQSA-N 2 2 319.452 4.408 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042834 1060893118 /nfs/dbraw/zinc/89/31/18/1060893118.db2.gz KKJDUUBPEPLHCY-SJLPKXTDSA-N 2 2 320.908 4.298 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042834 1060893126 /nfs/dbraw/zinc/89/31/26/1060893126.db2.gz KKJDUUBPEPLHCY-SJLPKXTDSA-N 2 2 320.908 4.298 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)o1 ZINC001561051247 1060899473 /nfs/dbraw/zinc/89/94/73/1060899473.db2.gz SKTYEIVVIMUPLR-INIZCTEOSA-N 2 2 315.461 4.228 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c(C)o1 ZINC001561051247 1060899477 /nfs/dbraw/zinc/89/94/77/1060899477.db2.gz SKTYEIVVIMUPLR-INIZCTEOSA-N 2 2 315.461 4.228 20 0 DIADLP CSCCCCC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462129207 1060949100 /nfs/dbraw/zinc/94/91/00/1060949100.db2.gz SBQUMBUCYWPUBG-MJGOQNOKSA-N 2 2 320.546 4.162 20 0 DIADLP CSCCCCC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462129207 1060949120 /nfs/dbraw/zinc/94/91/20/1060949120.db2.gz SBQUMBUCYWPUBG-MJGOQNOKSA-N 2 2 320.546 4.162 20 0 DIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2ccc(F)cc2)o1 ZINC001462170808 1060990589 /nfs/dbraw/zinc/99/05/89/1060990589.db2.gz DBPHMKPEFVDZJL-UHFFFAOYSA-N 2 2 316.420 4.003 20 0 DIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2ccc(F)cc2)o1 ZINC001462170808 1060990604 /nfs/dbraw/zinc/99/06/04/1060990604.db2.gz DBPHMKPEFVDZJL-UHFFFAOYSA-N 2 2 316.420 4.003 20 0 DIADLP CC(C)CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001462200610 1061020823 /nfs/dbraw/zinc/02/08/23/1061020823.db2.gz QELUTRBARYWSBB-UHFFFAOYSA-N 2 2 305.853 4.085 20 0 DIADLP CC(C)CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001462200610 1061020840 /nfs/dbraw/zinc/02/08/40/1061020840.db2.gz QELUTRBARYWSBB-UHFFFAOYSA-N 2 2 305.853 4.085 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001473263843 1061040956 /nfs/dbraw/zinc/04/09/56/1061040956.db2.gz ZMRDIJJXPXVEMI-LJQANCHMSA-N 2 2 310.485 4.365 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001473263843 1061040969 /nfs/dbraw/zinc/04/09/69/1061040969.db2.gz ZMRDIJJXPXVEMI-LJQANCHMSA-N 2 2 310.485 4.365 20 0 DIADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC001473286369 1061055190 /nfs/dbraw/zinc/05/51/90/1061055190.db2.gz BWGUORXBWRQWSO-HZPDHXFCSA-N 2 2 304.453 4.009 20 0 DIADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCC[NH+]1CCCCC1 ZINC001473286369 1061055203 /nfs/dbraw/zinc/05/52/03/1061055203.db2.gz BWGUORXBWRQWSO-HZPDHXFCSA-N 2 2 304.453 4.009 20 0 DIADLP CC[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC001473314793 1061079780 /nfs/dbraw/zinc/07/97/80/1061079780.db2.gz OGCFUNMQHCKNAL-GGPKGHCWSA-N 2 2 316.533 4.310 20 0 DIADLP CCc1ccc([C@@H](C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)[NH+](CC)CC)cc1 ZINC001462297833 1061088442 /nfs/dbraw/zinc/08/84/42/1061088442.db2.gz SVVRFHZATFIXOD-XSDIEEQYSA-N 2 2 314.517 4.410 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462338172 1061115757 /nfs/dbraw/zinc/11/57/57/1061115757.db2.gz HURHGZXNCBLZFQ-AFYVEPGGSA-N 2 2 316.464 4.225 20 0 DIADLP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462338172 1061115764 /nfs/dbraw/zinc/11/57/64/1061115764.db2.gz HURHGZXNCBLZFQ-AFYVEPGGSA-N 2 2 316.464 4.225 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC001462388693 1061143662 /nfs/dbraw/zinc/14/36/62/1061143662.db2.gz WNXDCWPDNIMXFD-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC001462388693 1061143672 /nfs/dbraw/zinc/14/36/72/1061143672.db2.gz WNXDCWPDNIMXFD-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462485278 1061202786 /nfs/dbraw/zinc/20/27/86/1061202786.db2.gz HURHGZXNCBLZFQ-GSEOLPGOSA-N 2 2 316.464 4.225 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462485278 1061202801 /nfs/dbraw/zinc/20/28/01/1061202801.db2.gz HURHGZXNCBLZFQ-GSEOLPGOSA-N 2 2 316.464 4.225 20 0 DIADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001473909364 1061457802 /nfs/dbraw/zinc/45/78/02/1061457802.db2.gz YITPRYJUFYLXRR-OTWHNJEPSA-N 2 2 318.530 4.087 20 0 DIADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001473932182 1061477011 /nfs/dbraw/zinc/47/70/11/1061477011.db2.gz ZMGZUZXZKYFBMW-KKXNLOMOSA-N 2 2 306.538 4.447 20 0 DIADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001473932182 1061477022 /nfs/dbraw/zinc/47/70/22/1061477022.db2.gz ZMGZUZXZKYFBMW-KKXNLOMOSA-N 2 2 306.538 4.447 20 0 DIADLP CCCC[NH+]1CCC([NH2+]Cc2cc(C(C)(C)C)oc2C)CC1 ZINC001473960478 1061502784 /nfs/dbraw/zinc/50/27/84/1061502784.db2.gz CQUFGGNXRUHCJO-UHFFFAOYSA-N 2 2 306.494 4.240 20 0 DIADLP CCc1ccccc1C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001473996943 1061540518 /nfs/dbraw/zinc/54/05/18/1061540518.db2.gz GLFOIEMMNRZDRW-KRWDZBQOSA-N 2 2 310.485 4.468 20 0 DIADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474088274 1061634393 /nfs/dbraw/zinc/63/43/93/1061634393.db2.gz ZHNRDLWZZDCTPZ-AUUYWEPGSA-N 2 2 323.465 4.347 20 0 DIADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cc1F ZINC001474118385 1061665961 /nfs/dbraw/zinc/66/59/61/1061665961.db2.gz KRPJXGWQHNVRCQ-UHFFFAOYSA-N 2 2 310.432 4.099 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001474195472 1061745233 /nfs/dbraw/zinc/74/52/33/1061745233.db2.gz WSWGXIGDAPZAQX-LEWJYISDSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001474195472 1061745253 /nfs/dbraw/zinc/74/52/53/1061745253.db2.gz WSWGXIGDAPZAQX-LEWJYISDSA-N 2 2 312.501 4.451 20 0 DIADLP c1cn(-c2csc(C[NH2+]C3CCC(C4CCC4)CC3)c2)c[nH+]1 ZINC001474215272 1061771234 /nfs/dbraw/zinc/77/12/34/1061771234.db2.gz RYSZHMJWQHCKGH-UHFFFAOYSA-N 2 2 315.486 4.382 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001474238412 1061803136 /nfs/dbraw/zinc/80/31/36/1061803136.db2.gz BDWJLISKEWMOAZ-XJDXJNMNSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001474238412 1061803151 /nfs/dbraw/zinc/80/31/51/1061803151.db2.gz BDWJLISKEWMOAZ-XJDXJNMNSA-N 2 2 316.464 4.226 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317163 1061894077 /nfs/dbraw/zinc/89/40/77/1061894077.db2.gz JGNBGFIUXHJVLJ-WMLDXEAASA-N 2 2 306.494 4.190 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317163 1061894096 /nfs/dbraw/zinc/89/40/96/1061894096.db2.gz JGNBGFIUXHJVLJ-WMLDXEAASA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317163 1061894123 /nfs/dbraw/zinc/89/41/23/1061894123.db2.gz JGNBGFIUXHJVLJ-WMLDXEAASA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317163 1061894148 /nfs/dbraw/zinc/89/41/48/1061894148.db2.gz JGNBGFIUXHJVLJ-WMLDXEAASA-N 2 2 306.494 4.190 20 0 DIADLP Cc1coc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320940 1061896235 /nfs/dbraw/zinc/89/62/35/1061896235.db2.gz UZOPCOZSHVOLOA-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320940 1061896248 /nfs/dbraw/zinc/89/62/48/1061896248.db2.gz UZOPCOZSHVOLOA-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001474320940 1061896267 /nfs/dbraw/zinc/89/62/67/1061896267.db2.gz UZOPCOZSHVOLOA-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001474320940 1061896281 /nfs/dbraw/zinc/89/62/81/1061896281.db2.gz UZOPCOZSHVOLOA-CTNGQTDRSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320942 1061898417 /nfs/dbraw/zinc/89/84/17/1061898417.db2.gz UZOPCOZSHVOLOA-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001474320942 1061898433 /nfs/dbraw/zinc/89/84/33/1061898433.db2.gz UZOPCOZSHVOLOA-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001474320942 1061898452 /nfs/dbraw/zinc/89/84/52/1061898452.db2.gz UZOPCOZSHVOLOA-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1coc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001474320942 1061898460 /nfs/dbraw/zinc/89/84/60/1061898460.db2.gz UZOPCOZSHVOLOA-PZJWPPBQSA-N 2 2 324.468 4.075 20 0 DIADLP c1cn(-c2csc(C[N@@H+](CC3CC3)C3CCCCC3)c2)c[nH+]1 ZINC001474342825 1061939555 /nfs/dbraw/zinc/93/95/55/1061939555.db2.gz FLHDDJFDLGHPQP-UHFFFAOYSA-N 2 2 315.486 4.479 20 0 DIADLP c1cn(-c2csc(C[N@H+](CC3CC3)C3CCCCC3)c2)c[nH+]1 ZINC001474342825 1061939573 /nfs/dbraw/zinc/93/95/73/1061939573.db2.gz FLHDDJFDLGHPQP-UHFFFAOYSA-N 2 2 315.486 4.479 20 0 DIADLP CCC[C@@H](CCc1ccccc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001254497231 1062138782 /nfs/dbraw/zinc/13/87/82/1062138782.db2.gz AJPRPZOREYWQAB-MOPGFXCFSA-N 2 2 311.473 4.324 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465168 1062146250 /nfs/dbraw/zinc/14/62/50/1062146250.db2.gz KDVZKGKQAGERFM-PCCBWWKXSA-N 2 2 314.517 4.311 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465168 1062146264 /nfs/dbraw/zinc/14/62/64/1062146264.db2.gz KDVZKGKQAGERFM-PCCBWWKXSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505939 1062150548 /nfs/dbraw/zinc/15/05/48/1062150548.db2.gz MBCFZCWOCIDNPV-VXGBXAGGSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505939 1062150562 /nfs/dbraw/zinc/15/05/62/1062150562.db2.gz MBCFZCWOCIDNPV-VXGBXAGGSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H](C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496323 1062176426 /nfs/dbraw/zinc/17/64/26/1062176426.db2.gz GAYHMNRYPFUSDX-PBHICJAKSA-N 2 2 308.897 4.154 20 0 DIADLP C[C@H](C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496323 1062176439 /nfs/dbraw/zinc/17/64/39/1062176439.db2.gz GAYHMNRYPFUSDX-PBHICJAKSA-N 2 2 308.897 4.154 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505025 1062187456 /nfs/dbraw/zinc/18/74/56/1062187456.db2.gz NTYPWGIYAFUFOU-QZTJIDSGSA-N 2 2 318.505 4.392 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505025 1062187468 /nfs/dbraw/zinc/18/74/68/1062187468.db2.gz NTYPWGIYAFUFOU-QZTJIDSGSA-N 2 2 318.505 4.392 20 0 DIADLP C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001459543392 1062195475 /nfs/dbraw/zinc/19/54/75/1062195475.db2.gz NUIGFKHHGYLOHO-OAHLLOKOSA-N 2 2 321.399 4.131 20 0 DIADLP C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001459543392 1062195483 /nfs/dbraw/zinc/19/54/83/1062195483.db2.gz NUIGFKHHGYLOHO-OAHLLOKOSA-N 2 2 321.399 4.131 20 0 DIADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2CCC2)[NH+](CC)CC)cc1 ZINC001474552329 1062251668 /nfs/dbraw/zinc/25/16/68/1062251668.db2.gz GMDIFZFGRPJIDM-OXJNMPFZSA-N 2 2 302.506 4.410 20 0 DIADLP Fc1ccc(-c2cccc(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)c2)cc1 ZINC001254843518 1062262294 /nfs/dbraw/zinc/26/22/94/1062262294.db2.gz FVMKOMBZVUOVAG-NRFANRHFSA-N 2 2 324.443 4.067 20 0 DIADLP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630587 1062354907 /nfs/dbraw/zinc/35/49/07/1062354907.db2.gz NQUJSMMHSHNOSB-WBVHZDCISA-N 2 2 306.519 4.066 20 0 DIADLP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001474630587 1062354928 /nfs/dbraw/zinc/35/49/28/1062354928.db2.gz NQUJSMMHSHNOSB-WBVHZDCISA-N 2 2 306.519 4.066 20 0 DIADLP CC(C)(C)c1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658024 1062390663 /nfs/dbraw/zinc/39/06/63/1062390663.db2.gz BNBQGQKYSLNFMC-HXUWFJFHSA-N 2 2 314.517 4.133 20 0 DIADLP CC(C)(C)c1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658024 1062390677 /nfs/dbraw/zinc/39/06/77/1062390677.db2.gz BNBQGQKYSLNFMC-HXUWFJFHSA-N 2 2 314.517 4.133 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001474666934 1062397071 /nfs/dbraw/zinc/39/70/71/1062397071.db2.gz UVCUVXVBPHEACN-SVFBPWRDSA-N 2 2 312.501 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001474666934 1062397089 /nfs/dbraw/zinc/39/70/89/1062397089.db2.gz UVCUVXVBPHEACN-SVFBPWRDSA-N 2 2 312.501 4.233 20 0 DIADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]C2CC3(C2)CCCC3)cc1 ZINC001474672158 1062402603 /nfs/dbraw/zinc/40/26/03/1062402603.db2.gz PMXDNOMFSRKATK-HXUWFJFHSA-N 2 2 312.501 4.354 20 0 DIADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]C2CC3(C2)CCCC3)cc1 ZINC001474672158 1062402617 /nfs/dbraw/zinc/40/26/17/1062402617.db2.gz PMXDNOMFSRKATK-HXUWFJFHSA-N 2 2 312.501 4.354 20 0 DIADLP C[C@H](CCc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683269 1062413145 /nfs/dbraw/zinc/41/31/45/1062413145.db2.gz WTELUEBRSOBGSS-WIYYLYMNSA-N 2 2 319.452 4.235 20 0 DIADLP C[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001474682235 1062413862 /nfs/dbraw/zinc/41/38/62/1062413862.db2.gz IRJIRCVDZNBQID-FXAWDEMLSA-N 2 2 305.425 4.018 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)c1 ZINC001474682628 1062413932 /nfs/dbraw/zinc/41/39/32/1062413932.db2.gz NOPMAHAQQCHYIJ-ALCCZGGFSA-N 2 2 312.501 4.185 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001474707950 1062433793 /nfs/dbraw/zinc/43/37/93/1062433793.db2.gz MIFQEZAWQZFHOC-CZGNIMDHSA-N 2 2 312.501 4.065 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC001474707950 1062433800 /nfs/dbraw/zinc/43/38/00/1062433800.db2.gz MIFQEZAWQZFHOC-CZGNIMDHSA-N 2 2 312.501 4.065 20 0 DIADLP C[C@H]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001474707953 1062434406 /nfs/dbraw/zinc/43/44/06/1062434406.db2.gz MIFQEZAWQZFHOC-ZXNZYJFHSA-N 2 2 312.501 4.065 20 0 DIADLP C[C@H]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC001474707953 1062434418 /nfs/dbraw/zinc/43/44/18/1062434418.db2.gz MIFQEZAWQZFHOC-ZXNZYJFHSA-N 2 2 312.501 4.065 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)CC(C)(C)C[NH+](C)C)c2ccsc2S1 ZINC001474739866 1062454584 /nfs/dbraw/zinc/45/45/84/1062454584.db2.gz HSUBLZTWSFCIDZ-JSGCOSHPSA-N 2 2 312.548 4.193 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)C[NH+](C)C)c2ccsc2S1 ZINC001474739866 1062454595 /nfs/dbraw/zinc/45/45/95/1062454595.db2.gz HSUBLZTWSFCIDZ-JSGCOSHPSA-N 2 2 312.548 4.193 20 0 DIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001474745000 1062460096 /nfs/dbraw/zinc/46/00/96/1062460096.db2.gz NZEDTLACCFPWJX-HUUCEWRRSA-N 2 2 308.897 4.154 20 0 DIADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001474745000 1062460116 /nfs/dbraw/zinc/46/01/16/1062460116.db2.gz NZEDTLACCFPWJX-HUUCEWRRSA-N 2 2 308.897 4.154 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001474755638 1062465350 /nfs/dbraw/zinc/46/53/50/1062465350.db2.gz SUVAYHZWXUQKEK-UHFFFAOYSA-N 2 2 317.864 4.070 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc2ccccc21 ZINC001459878808 1062467289 /nfs/dbraw/zinc/46/72/89/1062467289.db2.gz CMCYQOLBYLSBML-UHFFFAOYSA-N 2 2 313.832 4.212 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc2ccccc21 ZINC001459878808 1062467291 /nfs/dbraw/zinc/46/72/91/1062467291.db2.gz CMCYQOLBYLSBML-UHFFFAOYSA-N 2 2 313.832 4.212 20 0 DIADLP Cc1ccc(C[C@@H](C)[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001255795871 1062612961 /nfs/dbraw/zinc/61/29/61/1062612961.db2.gz LEARYFNVCCXRKK-GOSISDBHSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(C[C@@H](C)[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001255795871 1062612964 /nfs/dbraw/zinc/61/29/64/1062612964.db2.gz LEARYFNVCCXRKK-GOSISDBHSA-N 2 2 314.517 4.265 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC001255944353 1062666902 /nfs/dbraw/zinc/66/69/02/1062666902.db2.gz UTXOEXVKRIZUQK-LBPRGKRZSA-N 2 2 303.277 4.203 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076342 1062698230 /nfs/dbraw/zinc/69/82/30/1062698230.db2.gz FQNQZSGJMWKORP-GOSISDBHSA-N 2 2 304.865 4.104 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076342 1062698232 /nfs/dbraw/zinc/69/82/32/1062698232.db2.gz FQNQZSGJMWKORP-GOSISDBHSA-N 2 2 304.865 4.104 20 0 DIADLP Clc1cccc([C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256081270 1062698349 /nfs/dbraw/zinc/69/83/49/1062698349.db2.gz WGGSWJWERSWHTP-GOSISDBHSA-N 2 2 304.865 4.104 20 0 DIADLP Clc1cccc([C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256081270 1062698357 /nfs/dbraw/zinc/69/83/57/1062698357.db2.gz WGGSWJWERSWHTP-GOSISDBHSA-N 2 2 304.865 4.104 20 0 DIADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCC(C)C)CC2)cc1 ZINC001256352369 1062781734 /nfs/dbraw/zinc/78/17/34/1062781734.db2.gz HGNWLCZXUPRBEF-KRWDZBQOSA-N 2 2 318.505 4.074 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001256526756 1062847328 /nfs/dbraw/zinc/84/73/28/1062847328.db2.gz OEADHOBJVWLWSX-CMKODMSKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001256526756 1062847352 /nfs/dbraw/zinc/84/73/52/1062847352.db2.gz OEADHOBJVWLWSX-CMKODMSKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001256526757 1062848419 /nfs/dbraw/zinc/84/84/19/1062848419.db2.gz OEADHOBJVWLWSX-HBFSDRIKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001256526757 1062848445 /nfs/dbraw/zinc/84/84/45/1062848445.db2.gz OEADHOBJVWLWSX-HBFSDRIKSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]3CCC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256555310 1062877443 /nfs/dbraw/zinc/87/74/43/1062877443.db2.gz SZIHYEWEOZVTOI-GFOJFJKKSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]3CCC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256555310 1062877465 /nfs/dbraw/zinc/87/74/65/1062877465.db2.gz SZIHYEWEOZVTOI-GFOJFJKKSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555310 1062877479 /nfs/dbraw/zinc/87/74/79/1062877479.db2.gz SZIHYEWEOZVTOI-GFOJFJKKSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555310 1062877500 /nfs/dbraw/zinc/87/75/00/1062877500.db2.gz SZIHYEWEOZVTOI-GFOJFJKKSA-N 2 2 312.501 4.304 20 0 DIADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001256573995 1062899139 /nfs/dbraw/zinc/89/91/39/1062899139.db2.gz RPYOWEUULOTQSP-GOSISDBHSA-N 2 2 318.530 4.039 20 0 DIADLP CC(C)(C)[NH+]1CCC([N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001256573995 1062899158 /nfs/dbraw/zinc/89/91/58/1062899158.db2.gz RPYOWEUULOTQSP-GOSISDBHSA-N 2 2 318.530 4.039 20 0 DIADLP C[C@@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603652 1062915282 /nfs/dbraw/zinc/91/52/82/1062915282.db2.gz IOOZSWSVJYXKCI-GOSISDBHSA-N 2 2 320.480 4.270 20 0 DIADLP C[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603652 1062915306 /nfs/dbraw/zinc/91/53/06/1062915306.db2.gz IOOZSWSVJYXKCI-GOSISDBHSA-N 2 2 320.480 4.270 20 0 DIADLP c1cn(C[C@H]([NH2+]CCSc2ccccc2)c2ccccc2)c[nH+]1 ZINC001460696307 1062992755 /nfs/dbraw/zinc/99/27/55/1062992755.db2.gz RWDGYPLVMPTADM-IBGZPJMESA-N 2 2 323.465 4.006 20 0 DIADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727676 1063021461 /nfs/dbraw/zinc/02/14/61/1063021461.db2.gz KVBGUWCIVGWYBL-RBUKOAKNSA-N 2 2 312.482 4.084 20 0 DIADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727676 1063021478 /nfs/dbraw/zinc/02/14/78/1063021478.db2.gz KVBGUWCIVGWYBL-RBUKOAKNSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727676 1063021494 /nfs/dbraw/zinc/02/14/94/1063021494.db2.gz KVBGUWCIVGWYBL-RBUKOAKNSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccsc2)cc1 ZINC001460727676 1063021514 /nfs/dbraw/zinc/02/15/14/1063021514.db2.gz KVBGUWCIVGWYBL-RBUKOAKNSA-N 2 2 312.482 4.084 20 0 DIADLP Cc1[nH]c(C2CC[NH+](Cc3cccc(F)c3Cl)CC2)[nH+]c1C ZINC001460794021 1063061980 /nfs/dbraw/zinc/06/19/80/1063061980.db2.gz XMGUMUDFVNEVOU-UHFFFAOYSA-N 2 2 321.827 4.199 20 0 DIADLP CCC[C@H](CC)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001257271405 1063174279 /nfs/dbraw/zinc/17/42/79/1063174279.db2.gz RHZITPQLICIKTB-KRWDZBQOSA-N 2 2 306.469 4.301 20 0 DIADLP CCC[C@H](CC)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001257271405 1063174284 /nfs/dbraw/zinc/17/42/84/1063174284.db2.gz RHZITPQLICIKTB-KRWDZBQOSA-N 2 2 306.469 4.301 20 0 DIADLP CCCC(CCC)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337154 1063216271 /nfs/dbraw/zinc/21/62/71/1063216271.db2.gz RYHNAZBNQFEPNW-WBVHZDCISA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337154 1063216292 /nfs/dbraw/zinc/21/62/92/1063216292.db2.gz RYHNAZBNQFEPNW-WBVHZDCISA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257337154 1063216312 /nfs/dbraw/zinc/21/63/12/1063216312.db2.gz RYHNAZBNQFEPNW-WBVHZDCISA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257337154 1063216321 /nfs/dbraw/zinc/21/63/21/1063216321.db2.gz RYHNAZBNQFEPNW-WBVHZDCISA-N 2 2 321.534 4.008 20 0 DIADLP CCCCCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001257371876 1063237956 /nfs/dbraw/zinc/23/79/56/1063237956.db2.gz LLJIBBMUEDSMRW-KRWDZBQOSA-N 2 2 303.494 4.307 20 0 DIADLP CCCCCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001257373674 1063242381 /nfs/dbraw/zinc/24/23/81/1063242381.db2.gz UTNOXNIGZGCVEH-HNNXBMFYSA-N 2 2 307.457 4.138 20 0 DIADLP CCCCCC1CCC([N@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001257376041 1063246286 /nfs/dbraw/zinc/24/62/86/1063246286.db2.gz ZWTQWXICHUIQRV-UHFFFAOYSA-N 2 2 324.553 4.168 20 0 DIADLP CCCCCC1CCC([N@@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001257376041 1063246308 /nfs/dbraw/zinc/24/63/08/1063246308.db2.gz ZWTQWXICHUIQRV-UHFFFAOYSA-N 2 2 324.553 4.168 20 0 DIADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCCCC2)c2ccccc2)CC1 ZINC001461091317 1063247853 /nfs/dbraw/zinc/24/78/53/1063247853.db2.gz JVEMLDQUGWUZMW-FQEVSTJZSA-N 2 2 300.490 4.382 20 0 DIADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H]2CC=CCC2)c2ccccc2)CC1 ZINC001461093223 1063247970 /nfs/dbraw/zinc/24/79/70/1063247970.db2.gz VZDPERFOFSMMCW-CTNGQTDRSA-N 2 2 312.501 4.406 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001257469671 1063290207 /nfs/dbraw/zinc/29/02/07/1063290207.db2.gz YFRPKAHWBIEIBA-SJORKVTESA-N 2 2 303.494 4.245 20 0 DIADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC001461145988 1063290726 /nfs/dbraw/zinc/29/07/26/1063290726.db2.gz FPJZULSIKGCYRP-MSOLQXFVSA-N 2 2 303.494 4.468 20 0 DIADLP CCCCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257501536 1063311897 /nfs/dbraw/zinc/31/18/97/1063311897.db2.gz BKIVENPUXMTACZ-WFASDCNBSA-N 2 2 313.283 4.007 20 0 DIADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001461368834 1063450042 /nfs/dbraw/zinc/45/00/42/1063450042.db2.gz JCSRIMVFWNPSRI-OAQYLSRUSA-N 2 2 319.452 4.339 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccsc2)c(C)c1 ZINC001461370196 1063452705 /nfs/dbraw/zinc/45/27/05/1063452705.db2.gz RDCWANFYWZEASV-SFHVURJKSA-N 2 2 311.454 4.093 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC001258008438 1063462475 /nfs/dbraw/zinc/46/24/75/1063462475.db2.gz SGKDNNUWNMISRW-UHFFFAOYSA-N 2 2 320.908 4.429 20 0 DIADLP CC(C)C[NH+]1CCC([N@H+](C)[C@@H](C)c2ccccc2Cl)CC1 ZINC001258018962 1063465452 /nfs/dbraw/zinc/46/54/52/1063465452.db2.gz XSIBPUSMTATQSR-HNNXBMFYSA-N 2 2 308.897 4.453 20 0 DIADLP CC(C)C[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccccc2Cl)CC1 ZINC001258018962 1063465467 /nfs/dbraw/zinc/46/54/67/1063465467.db2.gz XSIBPUSMTATQSR-HNNXBMFYSA-N 2 2 308.897 4.453 20 0 DIADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001258020094 1063465542 /nfs/dbraw/zinc/46/55/42/1063465542.db2.gz MVBLZBKEKUXSFK-LJQANCHMSA-N 2 2 322.443 4.222 20 0 DIADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001258020094 1063465554 /nfs/dbraw/zinc/46/55/54/1063465554.db2.gz MVBLZBKEKUXSFK-LJQANCHMSA-N 2 2 322.443 4.222 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258073923 1063499171 /nfs/dbraw/zinc/49/91/71/1063499171.db2.gz HGDNUJSIJAGORF-DLBZAZTESA-N 2 2 303.494 4.101 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CCC1 ZINC001461442250 1063507966 /nfs/dbraw/zinc/50/79/66/1063507966.db2.gz YDDJIQUXYKTLTB-RTBURBONSA-N 2 2 300.490 4.177 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258085214 1063508164 /nfs/dbraw/zinc/50/81/64/1063508164.db2.gz HHDDXVIERCAKCJ-MRXNPFEDSA-N 2 2 304.453 4.210 20 0 DIADLP FC1(F)CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001461475369 1063528425 /nfs/dbraw/zinc/52/84/25/1063528425.db2.gz JQRIRYXPVICQFP-UHFFFAOYSA-N 2 2 314.464 4.200 20 0 DIADLP CC1(C)CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258281599 1063584833 /nfs/dbraw/zinc/58/48/33/1063584833.db2.gz MJAARXLQOHHLGQ-ULQDDVLXSA-N 2 2 301.478 4.127 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001258296660 1063591887 /nfs/dbraw/zinc/59/18/87/1063591887.db2.gz YNKMYEZSBOYXCG-HOTGVXAUSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001258296660 1063591900 /nfs/dbraw/zinc/59/19/00/1063591900.db2.gz YNKMYEZSBOYXCG-HOTGVXAUSA-N 2 2 324.534 4.144 20 0 DIADLP CCCCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258432757 1063649863 /nfs/dbraw/zinc/64/98/63/1063649863.db2.gz FEMBABAZFSVNQM-SFHVURJKSA-N 2 2 318.505 4.305 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001461682751 1063654586 /nfs/dbraw/zinc/65/45/86/1063654586.db2.gz PNLQJLKCWGKPBL-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP c1sc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001461682751 1063654591 /nfs/dbraw/zinc/65/45/91/1063654591.db2.gz PNLQJLKCWGKPBL-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC(C)(C)C2)CC1 ZINC001258608597 1063708930 /nfs/dbraw/zinc/70/89/30/1063708930.db2.gz LRIDKKNZIMXOBF-IBGZPJMESA-N 2 2 318.480 4.301 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC(C)(C)C2)CC1 ZINC001258608597 1063708938 /nfs/dbraw/zinc/70/89/38/1063708938.db2.gz LRIDKKNZIMXOBF-IBGZPJMESA-N 2 2 318.480 4.301 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258661069 1063731814 /nfs/dbraw/zinc/73/18/14/1063731814.db2.gz NMHVVFCAVZKKPA-HXUWFJFHSA-N 2 2 302.506 4.202 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258661069 1063731825 /nfs/dbraw/zinc/73/18/25/1063731825.db2.gz NMHVVFCAVZKKPA-HXUWFJFHSA-N 2 2 302.506 4.202 20 0 DIADLP C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001258744937 1063795357 /nfs/dbraw/zinc/79/53/57/1063795357.db2.gz HBSZOCDJGBMECU-MRXNPFEDSA-N 2 2 320.908 4.221 20 0 DIADLP CC(C)[N@H+]([C@@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258753364 1063800719 /nfs/dbraw/zinc/80/07/19/1063800719.db2.gz JKTSJHJCTWWZQE-HNNXBMFYSA-N 2 2 308.897 4.076 20 0 DIADLP CC(C)[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258753364 1063800733 /nfs/dbraw/zinc/80/07/33/1063800733.db2.gz JKTSJHJCTWWZQE-HNNXBMFYSA-N 2 2 308.897 4.076 20 0 DIADLP CCCC[C@@H](CCC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258756959 1063802978 /nfs/dbraw/zinc/80/29/78/1063802978.db2.gz CWEZTBBDCREBQO-GOSISDBHSA-N 2 2 303.494 4.247 20 0 DIADLP CCCC[C@@H](CCC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258764013 1063809507 /nfs/dbraw/zinc/80/95/07/1063809507.db2.gz FFFDSFHIGCOINT-QGZVFWFLSA-N 2 2 303.494 4.307 20 0 DIADLP CCCC[C@H](CCC)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258763800 1063810110 /nfs/dbraw/zinc/81/01/10/1063810110.db2.gz DBYBTLUWMCKCHA-HNNXBMFYSA-N 2 2 307.457 4.138 20 0 DIADLP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001258775407 1063816863 /nfs/dbraw/zinc/81/68/63/1063816863.db2.gz NQTPTEOQGKUZIE-AWEZNQCLSA-N 2 2 312.910 4.413 20 0 DIADLP CCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001258775407 1063816875 /nfs/dbraw/zinc/81/68/75/1063816875.db2.gz NQTPTEOQGKUZIE-AWEZNQCLSA-N 2 2 312.910 4.413 20 0 DIADLP CC[C@H](C)C[C@H](CC)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786147 1063823602 /nfs/dbraw/zinc/82/36/02/1063823602.db2.gz KQOKESKXCCTSCF-XSLAGTTESA-N 2 2 303.494 4.373 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C(C)(C)C)oc2C)CC1 ZINC001461947724 1063832706 /nfs/dbraw/zinc/83/27/06/1063832706.db2.gz ZTMUUAZSBARINQ-UHFFFAOYSA-N 2 2 306.494 4.192 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C(C)(C)C)oc2C)CC1 ZINC001461947724 1063832715 /nfs/dbraw/zinc/83/27/15/1063832715.db2.gz ZTMUUAZSBARINQ-UHFFFAOYSA-N 2 2 306.494 4.192 20 0 DIADLP CC(C)C1CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001258801044 1063834909 /nfs/dbraw/zinc/83/49/09/1063834909.db2.gz GDCQOFKSLLFNRD-UHFFFAOYSA-N 2 2 315.505 4.102 20 0 DIADLP C[C@@H]1CCC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819733 1063848965 /nfs/dbraw/zinc/84/89/65/1063848965.db2.gz SLBCIBIVXBZLHX-XLIONFOSSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819733 1063848976 /nfs/dbraw/zinc/84/89/76/1063848976.db2.gz SLBCIBIVXBZLHX-XLIONFOSSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828958 1063854390 /nfs/dbraw/zinc/85/43/90/1063854390.db2.gz UJVQKOPGPYYKMV-VQIMIIECSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828958 1063854397 /nfs/dbraw/zinc/85/43/97/1063854397.db2.gz UJVQKOPGPYYKMV-VQIMIIECSA-N 2 2 318.480 4.301 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000379633339 1063983896 /nfs/dbraw/zinc/98/38/96/1063983896.db2.gz UCUOFOWRLCSTGZ-UHFFFAOYSA-N 2 2 321.468 4.168 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000379633339 1063983913 /nfs/dbraw/zinc/98/39/13/1063983913.db2.gz UCUOFOWRLCSTGZ-UHFFFAOYSA-N 2 2 321.468 4.168 20 0 DIADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379633842 1063984968 /nfs/dbraw/zinc/98/49/68/1063984968.db2.gz URSOOCBNDJDVEB-FXAWDEMLSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379633842 1063984975 /nfs/dbraw/zinc/98/49/75/1063984975.db2.gz URSOOCBNDJDVEB-FXAWDEMLSA-N 2 2 300.490 4.209 20 0 DIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCCCCC2)CCC1 ZINC000386834006 1064060122 /nfs/dbraw/zinc/06/01/22/1064060122.db2.gz IGCWBVUNCOIFPB-UHFFFAOYSA-N 2 2 300.490 4.354 20 0 DIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCCCCC2)CCC1 ZINC000386834006 1064060126 /nfs/dbraw/zinc/06/01/26/1064060126.db2.gz IGCWBVUNCOIFPB-UHFFFAOYSA-N 2 2 300.490 4.354 20 0 DIADLP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)cc1 ZINC001279145067 1064335024 /nfs/dbraw/zinc/33/50/24/1064335024.db2.gz UEPLUECWCQUVMA-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)cc1 ZINC001279145067 1064335031 /nfs/dbraw/zinc/33/50/31/1064335031.db2.gz UEPLUECWCQUVMA-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001279145067 1064335045 /nfs/dbraw/zinc/33/50/45/1064335045.db2.gz UEPLUECWCQUVMA-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC001279145067 1064335050 /nfs/dbraw/zinc/33/50/50/1064335050.db2.gz UEPLUECWCQUVMA-FQEVSTJZSA-N 2 2 316.464 4.056 20 0 DIADLP CCc1ccc(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001279200568 1064337476 /nfs/dbraw/zinc/33/74/76/1064337476.db2.gz DLYQMWSFSHKDAF-UHFFFAOYSA-N 2 2 312.501 4.089 20 0 DIADLP CCc1ccc(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001279200568 1064337480 /nfs/dbraw/zinc/33/74/80/1064337480.db2.gz DLYQMWSFSHKDAF-UHFFFAOYSA-N 2 2 312.501 4.089 20 0 DIADLP CCCC[C@H](CC)C[NH+]1CC2(C1)C[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001279644211 1064362305 /nfs/dbraw/zinc/36/23/05/1064362305.db2.gz XMEILDJIKUWRFH-HAGHYFMRSA-N 2 2 316.533 4.033 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000643458797 1064412980 /nfs/dbraw/zinc/41/29/80/1064412980.db2.gz CCFXPDHXDJOZOO-CRFBAAHOSA-N 2 2 316.395 4.109 20 0 DIADLP CC(C)c1cc(NCCC[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC001306920328 1065205202 /nfs/dbraw/zinc/20/52/02/1065205202.db2.gz MEGRBMXXMCPEPW-UHFFFAOYSA-N 2 2 304.482 4.011 20 0 DIADLP Cc1cc(NC(C)(C)CC[NH+]2CCCCCC2)nc(C2CC2)[nH+]1 ZINC001307099273 1065262545 /nfs/dbraw/zinc/26/25/45/1065262545.db2.gz YKUJEXPXWYJQEO-UHFFFAOYSA-N 2 2 316.493 4.119 20 0 DIADLP C[C@@H]1CC(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)C[C@@H](C)C1 ZINC001307652676 1065544467 /nfs/dbraw/zinc/54/44/67/1065544467.db2.gz POGLSLROTTZELS-IRXDYDNUSA-N 2 2 315.505 4.420 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001307707437 1065577564 /nfs/dbraw/zinc/57/75/64/1065577564.db2.gz WZEMCWCEGAMCGZ-VQIMIIECSA-N 2 2 311.473 4.485 20 0 DIADLP C[C@H](c1ccccc1Cl)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001307980351 1065710549 /nfs/dbraw/zinc/71/05/49/1065710549.db2.gz WWWJWVQKJDHJAN-OAHLLOKOSA-N 2 2 306.881 4.351 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001308164839 1065788174 /nfs/dbraw/zinc/78/81/74/1065788174.db2.gz GWGZLKFXEKIJFF-INIZCTEOSA-N 2 2 303.494 4.254 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001308164839 1065788185 /nfs/dbraw/zinc/78/81/85/1065788185.db2.gz GWGZLKFXEKIJFF-INIZCTEOSA-N 2 2 303.494 4.254 20 0 DIADLP Cc1ccccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183395 1065795701 /nfs/dbraw/zinc/79/57/01/1065795701.db2.gz CGOSQBIYHXMMHK-HXUWFJFHSA-N 2 2 308.469 4.138 20 0 DIADLP Cc1ccccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183395 1065795710 /nfs/dbraw/zinc/79/57/10/1065795710.db2.gz CGOSQBIYHXMMHK-HXUWFJFHSA-N 2 2 308.469 4.138 20 0 DIADLP CC[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001308195060 1065802754 /nfs/dbraw/zinc/80/27/54/1065802754.db2.gz XJDPMRIHUTUOCS-FQEVSTJZSA-N 2 2 319.452 4.215 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(F)(F)CC1)Cc1ccccc1 ZINC001308194645 1065803915 /nfs/dbraw/zinc/80/39/15/1065803915.db2.gz JQUXTCSZTHTOAR-SFHVURJKSA-N 2 2 324.459 4.107 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001308219598 1065825971 /nfs/dbraw/zinc/82/59/71/1065825971.db2.gz HINDJARQJNJGIM-YZGWKJHDSA-N 2 2 300.490 4.238 20 0 DIADLP CC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274865 1065875181 /nfs/dbraw/zinc/87/51/81/1065875181.db2.gz OBORKGIYDFZUKH-RBBKRZOGSA-N 2 2 322.496 4.434 20 0 DIADLP CC[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274865 1065875190 /nfs/dbraw/zinc/87/51/90/1065875190.db2.gz OBORKGIYDFZUKH-RBBKRZOGSA-N 2 2 322.496 4.434 20 0 DIADLP CC1(C)CC(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308373555 1065948166 /nfs/dbraw/zinc/94/81/66/1065948166.db2.gz AKBHJEGRHYWCEN-GOSISDBHSA-N 2 2 300.490 4.065 20 0 DIADLP CC1(C)CC(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308373555 1065948173 /nfs/dbraw/zinc/94/81/73/1065948173.db2.gz AKBHJEGRHYWCEN-GOSISDBHSA-N 2 2 300.490 4.065 20 0 DIADLP CC1(C)CCC(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC001308425247 1065980757 /nfs/dbraw/zinc/98/07/57/1065980757.db2.gz QNMZBIOELJLXGD-UHFFFAOYSA-N 2 2 311.473 4.237 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C[C@H](c2ccccc2)C1 ZINC001308548484 1066061718 /nfs/dbraw/zinc/06/17/18/1066061718.db2.gz VYHGWCGVJCOKRX-DFQSSKMNSA-N 2 2 314.517 4.280 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C[C@H](c2ccccc2)C1 ZINC001308548484 1066061726 /nfs/dbraw/zinc/06/17/26/1066061726.db2.gz VYHGWCGVJCOKRX-DFQSSKMNSA-N 2 2 314.517 4.280 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC001308613140 1066117803 /nfs/dbraw/zinc/11/78/03/1066117803.db2.gz CCOBCDBMORRAOR-SNAWJCMRSA-N 2 2 309.457 4.159 20 0 DIADLP c1c[nH+]c(C2CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)[nH]1 ZINC001308613475 1066118838 /nfs/dbraw/zinc/11/88/38/1066118838.db2.gz JDEFFMOEGNAXLP-UHFFFAOYSA-N 2 2 309.457 4.447 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001308737719 1066214096 /nfs/dbraw/zinc/21/40/96/1066214096.db2.gz LYERDOBOBLFZEE-VMWRSERWSA-N 2 2 320.908 4.296 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001308737719 1066214109 /nfs/dbraw/zinc/21/41/09/1066214109.db2.gz LYERDOBOBLFZEE-VMWRSERWSA-N 2 2 320.908 4.296 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789049 1066263857 /nfs/dbraw/zinc/26/38/57/1066263857.db2.gz PULTUFYZWOCYJX-FXAWDEMLSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789049 1066263865 /nfs/dbraw/zinc/26/38/65/1066263865.db2.gz PULTUFYZWOCYJX-FXAWDEMLSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308851716 1066330269 /nfs/dbraw/zinc/33/02/69/1066330269.db2.gz LPOVFOCTCGFULT-FRYIKTPZSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308851716 1066330283 /nfs/dbraw/zinc/33/02/83/1066330283.db2.gz LPOVFOCTCGFULT-FRYIKTPZSA-N 2 2 314.517 4.311 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@@H]1CSC[C@@H]1C)Cc1ccccc1 ZINC001308850560 1066331150 /nfs/dbraw/zinc/33/11/50/1066331150.db2.gz HGSPOHFXHAJWOJ-PKOBYXMFSA-N 2 2 320.546 4.020 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@@H]1CSC[C@@H]1C)Cc1ccccc1 ZINC001308850560 1066331166 /nfs/dbraw/zinc/33/11/66/1066331166.db2.gz HGSPOHFXHAJWOJ-PKOBYXMFSA-N 2 2 320.546 4.020 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877257 1066355508 /nfs/dbraw/zinc/35/55/08/1066355508.db2.gz ITIRBBJVMGAPDA-NEWSRXKRSA-N 2 2 320.908 4.440 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001308877257 1066355524 /nfs/dbraw/zinc/35/55/24/1066355524.db2.gz ITIRBBJVMGAPDA-NEWSRXKRSA-N 2 2 320.908 4.440 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000090667469 185308543 /nfs/dbraw/zinc/30/85/43/185308543.db2.gz GIRLRTBSFMJUMF-MSOLQXFVSA-N 2 2 323.484 4.266 20 0 DIADLP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667298 185308669 /nfs/dbraw/zinc/30/86/69/185308669.db2.gz MJDKKHYOYHBSBK-ABSDTBQOSA-N 2 2 317.521 4.411 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@@H]2C)CC1 ZINC000090667637 185308961 /nfs/dbraw/zinc/30/89/61/185308961.db2.gz FRPMVGZWRDPKOR-XKMFVZKXSA-N 2 2 315.505 4.021 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000391583349 335003675 /nfs/dbraw/zinc/00/36/75/335003675.db2.gz UQSUUTFFLJKMHU-NRFANRHFSA-N 2 2 321.468 4.341 20 0 DIADLP Cc1ccc2cc([C@H](C)[NH2+]CCCNc3cccc[nH+]3)oc2c1 ZINC000426041942 335045660 /nfs/dbraw/zinc/04/56/60/335045660.db2.gz APGOMOZXCBQIIC-HNNXBMFYSA-N 2 2 309.413 4.289 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1F ZINC000272280930 130015107 /nfs/dbraw/zinc/01/51/07/130015107.db2.gz MSDIUAOFIMJKII-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccnc1Cl ZINC000272635154 130047816 /nfs/dbraw/zinc/04/78/16/130047816.db2.gz BOBPLZXAOYYMED-KKUMJFAQSA-N 2 2 321.896 4.039 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccnc1Cl ZINC000272635154 130047817 /nfs/dbraw/zinc/04/78/17/130047817.db2.gz BOBPLZXAOYYMED-KKUMJFAQSA-N 2 2 321.896 4.039 20 0 DIADLP CC(C)C(C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000284078720 131046530 /nfs/dbraw/zinc/04/65/30/131046530.db2.gz UXCJSSJMYNPUJB-KRWDZBQOSA-N 2 2 317.521 4.125 20 0 DIADLP Cc1cc(C)cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000340212064 131194014 /nfs/dbraw/zinc/19/40/14/131194014.db2.gz KGWUEBHDMQZJIT-UHFFFAOYSA-N 2 2 310.441 4.050 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc(C3CC3)c1)CCC2 ZINC000340251183 131273928 /nfs/dbraw/zinc/27/39/28/131273928.db2.gz HTQLXUSNFORHKB-BEFAXECRSA-N 2 2 309.457 4.297 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccco2)CC1 ZINC000289571457 131397075 /nfs/dbraw/zinc/39/70/75/131397075.db2.gz ZRGFTTRVJZYHGQ-UHFFFAOYSA-N 2 2 309.413 4.029 20 0 DIADLP Fc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000297348131 132011543 /nfs/dbraw/zinc/01/15/43/132011543.db2.gz FCFGAHXGYPDEFN-OAQYLSRUSA-N 2 2 324.443 4.132 20 0 DIADLP c1cc(NC2CC[NH+](C3CC3)CC2)cc([NH+]2CCCCCC2)c1 ZINC000298251437 132053131 /nfs/dbraw/zinc/05/31/31/132053131.db2.gz DMSBECDPZRMWQC-UHFFFAOYSA-N 2 2 313.489 4.106 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)s1 ZINC000035253685 331490765 /nfs/dbraw/zinc/49/07/65/331490765.db2.gz FPMPJHLZGYLXCL-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cc2ccccc2s1 ZINC000556934894 331756099 /nfs/dbraw/zinc/75/60/99/331756099.db2.gz WMVBTTYVXWXKSA-UHFFFAOYSA-N 2 2 310.466 4.370 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000448020237 332178558 /nfs/dbraw/zinc/17/85/58/332178558.db2.gz AZQMFXLMUCJJDC-UHFFFAOYSA-N 2 2 316.420 4.048 20 0 DIADLP FC(F)[C@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000554567362 332236389 /nfs/dbraw/zinc/23/63/89/332236389.db2.gz DCZKDSJIMYJONT-ZIAGYGMSSA-N 2 2 324.406 4.006 20 0 DIADLP FC(F)[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000554567362 332236390 /nfs/dbraw/zinc/23/63/90/332236390.db2.gz DCZKDSJIMYJONT-ZIAGYGMSSA-N 2 2 324.406 4.006 20 0 DIADLP CCCCOc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000560244078 332322415 /nfs/dbraw/zinc/32/24/15/332322415.db2.gz VEKFYKPTVJXRKW-QGZVFWFLSA-N 2 2 312.457 4.462 20 0 DIADLP CC(C)Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000560267206 332325388 /nfs/dbraw/zinc/32/53/88/332325388.db2.gz PRBXFRLSUKKKRC-INIZCTEOSA-N 2 2 311.473 4.269 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000560389175 332336020 /nfs/dbraw/zinc/33/60/20/332336020.db2.gz VTFCGOQSAFSWPM-NWDGAFQWSA-N 2 2 324.255 4.277 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000560389175 332336021 /nfs/dbraw/zinc/33/60/21/332336021.db2.gz VTFCGOQSAFSWPM-NWDGAFQWSA-N 2 2 324.255 4.277 20 0 DIADLP Cc1ccnc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000560528232 332351590 /nfs/dbraw/zinc/35/15/90/332351590.db2.gz OSRGUOIAHSAUHU-DLBZAZTESA-N 2 2 311.473 4.170 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)Cc3ccc(O)cc3)cc2)c1C ZINC000560533268 332353618 /nfs/dbraw/zinc/35/36/18/332353618.db2.gz AGZCNSHFYBJAGR-CQSZACIVSA-N 2 2 321.424 4.238 20 0 DIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCc1cc[nH+]cc1C ZINC000561776168 332495305 /nfs/dbraw/zinc/49/53/05/332495305.db2.gz HGZUBHAKVKSUOP-HXUWFJFHSA-N 2 2 319.452 4.389 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427871287 332551705 /nfs/dbraw/zinc/55/17/05/332551705.db2.gz AGNIGWFJOGGKOB-CABCVRRESA-N 2 2 323.440 4.166 20 0 DIADLP CC(C)CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427879369 332553611 /nfs/dbraw/zinc/55/36/11/332553611.db2.gz SPGYSWQNNGACCS-RBUKOAKNSA-N 2 2 311.473 4.355 20 0 DIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000562284100 332568107 /nfs/dbraw/zinc/56/81/07/332568107.db2.gz NASMTVSOXLRFAY-CQSZACIVSA-N 2 2 320.443 4.209 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)n1C ZINC000565239663 332656303 /nfs/dbraw/zinc/65/63/03/332656303.db2.gz YAXSEORHLIRSBU-UHFFFAOYSA-N 2 2 312.244 4.060 20 0 DIADLP c1ccc(N2CCC([NH2+][C@@H]3CCCCC34CCCC4)CC2)[nH+]c1 ZINC000391881088 335130655 /nfs/dbraw/zinc/13/06/55/335130655.db2.gz JNHXWICDVHZDLB-GOSISDBHSA-N 2 2 313.489 4.143 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531340078 333344887 /nfs/dbraw/zinc/34/48/87/333344887.db2.gz VBISTHDYLZOJKR-GDBMZVCRSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531340078 333344889 /nfs/dbraw/zinc/34/48/89/333344889.db2.gz VBISTHDYLZOJKR-GDBMZVCRSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531340078 333344890 /nfs/dbraw/zinc/34/48/90/333344890.db2.gz VBISTHDYLZOJKR-GDBMZVCRSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531340078 333344892 /nfs/dbraw/zinc/34/48/92/333344892.db2.gz VBISTHDYLZOJKR-GDBMZVCRSA-N 2 2 306.881 4.065 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000221798005 333367066 /nfs/dbraw/zinc/36/70/66/333367066.db2.gz PHZUGJAGQLQVQM-LLVKDONJSA-N 2 2 301.261 4.128 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000121366329 333386083 /nfs/dbraw/zinc/38/60/83/333386083.db2.gz JFOMGJHDAYZOQO-QGZVFWFLSA-N 2 2 309.457 4.018 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000531700453 333547630 /nfs/dbraw/zinc/54/76/30/333547630.db2.gz QEOTXZWAOLLZQI-GFCCVEGCSA-N 2 2 312.244 4.321 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000531711497 333549191 /nfs/dbraw/zinc/54/91/91/333549191.db2.gz KVLXVKMIUKCVGF-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)CCC2 ZINC000534328911 333577306 /nfs/dbraw/zinc/57/73/06/333577306.db2.gz SVJKVTQEKKUSOG-OCCSQVGLSA-N 2 2 321.827 4.212 20 0 DIADLP Cc1[nH+]cc(CNc2ccc([NH+]3CCCCCC3)cc2C)n1C ZINC000563441402 333607145 /nfs/dbraw/zinc/60/71/45/333607145.db2.gz WWGVIAVRHKIYKD-UHFFFAOYSA-N 2 2 312.461 4.029 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000152103761 333610483 /nfs/dbraw/zinc/61/04/83/333610483.db2.gz GSIMHERYBSLSBZ-KRWDZBQOSA-N 2 2 311.454 4.234 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000152244772 333650815 /nfs/dbraw/zinc/65/08/15/333650815.db2.gz OREIQCZXJHGXGH-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000571632521 333865565 /nfs/dbraw/zinc/86/55/65/333865565.db2.gz QAXPUKMZIWQKLO-DNVCBOLYSA-N 2 2 300.446 4.014 20 0 DIADLP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000414054992 333888314 /nfs/dbraw/zinc/88/83/14/333888314.db2.gz OADHNSGPKZZIBI-AEFFLSMTSA-N 2 2 317.864 4.243 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414064232 333889728 /nfs/dbraw/zinc/88/97/28/333889728.db2.gz NIOLHHHOTFCWGO-HFTRVMKXSA-N 2 2 317.864 4.241 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000343526513 335174951 /nfs/dbraw/zinc/17/49/51/335174951.db2.gz JRIFTSPHGMBXHH-KKSFZXQISA-N 2 2 317.436 4.270 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000534474906 334271800 /nfs/dbraw/zinc/27/18/00/334271800.db2.gz SNTYGWMIZWLHQG-SFHVURJKSA-N 2 2 323.415 4.148 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000534474906 334271802 /nfs/dbraw/zinc/27/18/02/334271802.db2.gz SNTYGWMIZWLHQG-SFHVURJKSA-N 2 2 323.415 4.148 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000187828220 334274207 /nfs/dbraw/zinc/27/42/07/334274207.db2.gz SFUJPGSARVRCCG-SFHVURJKSA-N 2 2 309.388 4.252 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644200 334266417 /nfs/dbraw/zinc/26/64/17/334266417.db2.gz DWXIGQZEYMVZCM-LOWVWBTDSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644200 334266418 /nfs/dbraw/zinc/26/64/18/334266418.db2.gz DWXIGQZEYMVZCM-LOWVWBTDSA-N 2 2 301.261 4.127 20 0 DIADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091081 334280476 /nfs/dbraw/zinc/28/04/76/334280476.db2.gz YTQCAJXEAUUXFI-KSSFIOAISA-N 2 2 318.823 4.062 20 0 DIADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534858710 334341703 /nfs/dbraw/zinc/34/17/03/334341703.db2.gz BILVAWYPFZNAFX-AWEZNQCLSA-N 2 2 315.848 4.373 20 0 DIADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000049554213 334350055 /nfs/dbraw/zinc/35/00/55/334350055.db2.gz AHYJMZPRKBMYLY-ZJUUUORDSA-N 2 2 307.240 4.123 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534977600 334351625 /nfs/dbraw/zinc/35/16/25/334351625.db2.gz WIGXCPYSCRIQLI-KDOFPFPSSA-N 2 2 324.871 4.394 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534977600 334351626 /nfs/dbraw/zinc/35/16/26/334351626.db2.gz WIGXCPYSCRIQLI-KDOFPFPSSA-N 2 2 324.871 4.394 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535067436 334363022 /nfs/dbraw/zinc/36/30/22/334363022.db2.gz ULZSONYNNHDFHN-UHFFFAOYSA-N 2 2 321.534 4.107 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535067436 334363023 /nfs/dbraw/zinc/36/30/23/334363023.db2.gz ULZSONYNNHDFHN-UHFFFAOYSA-N 2 2 321.534 4.107 20 0 DIADLP Cc1ccc(C2CCN(c3cc[nH+]c4ccsc43)CC2)c[nH+]1 ZINC000340802356 334386588 /nfs/dbraw/zinc/38/65/88/334386588.db2.gz RFZWVWWCHJMMCJ-UHFFFAOYSA-N 2 2 309.438 4.384 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3c(C)cccn13)CCC2 ZINC000342303954 334526768 /nfs/dbraw/zinc/52/67/68/334526768.db2.gz FQVXHIPMWJWYCN-IBGZPJMESA-N 2 2 305.425 4.118 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417318623 334707957 /nfs/dbraw/zinc/70/79/57/334707957.db2.gz ZFWAGVMZZYFQMV-HRCADAONSA-N 2 2 315.486 4.117 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c[nH+]1 ZINC000474731481 334802031 /nfs/dbraw/zinc/80/20/31/334802031.db2.gz VNEXOOXYIITHLP-CQSZACIVSA-N 2 2 317.502 4.427 20 0 DIADLP c1c(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)[nH+]c2n1CCCC2 ZINC000344107901 335223836 /nfs/dbraw/zinc/22/38/36/335223836.db2.gz XCBWEYMKOLSORA-FQEVSTJZSA-N 2 2 323.484 4.283 20 0 DIADLP c1c(CC[NH2+][C@H](CC2CCC2)c2ccccc2)[nH+]c2n1CCCC2 ZINC000344107903 335223992 /nfs/dbraw/zinc/22/39/92/335223992.db2.gz XCBWEYMKOLSORA-HXUWFJFHSA-N 2 2 323.484 4.283 20 0 DIADLP CC1(c2ccccc2)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000344217601 335229649 /nfs/dbraw/zinc/22/96/49/335229649.db2.gz JASKSQNETLTYKQ-UHFFFAOYSA-N 2 2 317.436 4.082 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000344829221 335278545 /nfs/dbraw/zinc/27/85/45/335278545.db2.gz NKCVLNXOTYQUAS-DOTOQJQBSA-N 2 2 321.534 4.011 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000344829226 335278748 /nfs/dbraw/zinc/27/87/48/335278748.db2.gz NKCVLNXOTYQUAS-WBVHZDCISA-N 2 2 321.534 4.011 20 0 DIADLP C[C@H](c1cccs1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346118033 335376105 /nfs/dbraw/zinc/37/61/05/335376105.db2.gz CDFAXKNSNRNUFE-GFCCVEGCSA-N 2 2 303.456 4.188 20 0 DIADLP C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346118033 335376106 /nfs/dbraw/zinc/37/61/06/335376106.db2.gz CDFAXKNSNRNUFE-GFCCVEGCSA-N 2 2 303.456 4.188 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)c2)c[nH+]1 ZINC000346224692 335386112 /nfs/dbraw/zinc/38/61/12/335386112.db2.gz QHELHPKCUNEJOQ-SFHVURJKSA-N 2 2 313.470 4.256 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)c2)c[nH+]1 ZINC000346224692 335386114 /nfs/dbraw/zinc/38/61/14/335386114.db2.gz QHELHPKCUNEJOQ-SFHVURJKSA-N 2 2 313.470 4.256 20 0 DIADLP c1cn(CC[NH2+][C@H](CCCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000346270081 335396447 /nfs/dbraw/zinc/39/64/47/335396447.db2.gz CCKTVLIQCVRGAL-OAQYLSRUSA-N 2 2 319.452 4.237 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000346313476 335398993 /nfs/dbraw/zinc/39/89/93/335398993.db2.gz QXCSZMOVRRBLGV-UHFFFAOYSA-N 2 2 317.436 4.134 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000346313476 335398995 /nfs/dbraw/zinc/39/89/95/335398995.db2.gz QXCSZMOVRRBLGV-UHFFFAOYSA-N 2 2 317.436 4.134 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000347925749 335539099 /nfs/dbraw/zinc/53/90/99/335539099.db2.gz RREMCHQQCYAPCY-KRWDZBQOSA-N 2 2 316.445 4.288 20 0 DIADLP COc1cccc([C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000323825345 335642715 /nfs/dbraw/zinc/64/27/15/335642715.db2.gz GCDLLOZRDWDCTH-LAUBAEHRSA-N 2 2 324.468 4.183 20 0 DIADLP c1cc2cccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)c2[nH]1 ZINC000349412339 335670236 /nfs/dbraw/zinc/67/02/36/335670236.db2.gz BVKNAKYIHKPEEK-UHFFFAOYSA-N 2 2 322.456 4.057 20 0 DIADLP C[C@H]([NH2+]Cc1cccc2cccnc21)[C@H](c1ccccc1)[NH+](C)C ZINC000349652379 335688730 /nfs/dbraw/zinc/68/87/30/335688730.db2.gz FERPTLORHLHFML-HRAATJIYSA-N 2 2 319.452 4.016 20 0 DIADLP Fc1ccc(C2=CC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000350284476 335742793 /nfs/dbraw/zinc/74/27/93/335742793.db2.gz AJGFHWQOPIXKQS-GOSISDBHSA-N 2 2 321.399 4.199 20 0 DIADLP CC[C@H](c1ccccc1)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117590 336018201 /nfs/dbraw/zinc/01/82/01/336018201.db2.gz QXQSBXMNVBTSKI-OAQYLSRUSA-N 2 2 323.484 4.129 20 0 DIADLP CC[C@H](c1ccccc1)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117590 336018202 /nfs/dbraw/zinc/01/82/02/336018202.db2.gz QXQSBXMNVBTSKI-OAQYLSRUSA-N 2 2 323.484 4.129 20 0 DIADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C ZINC000352342751 336213460 /nfs/dbraw/zinc/21/34/60/336213460.db2.gz XVPHAIRPMNTXGQ-UHFFFAOYSA-N 2 2 310.441 4.050 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000352348762 336213610 /nfs/dbraw/zinc/21/36/10/336213610.db2.gz DTPFZZBQYDTGJB-HNNXBMFYSA-N 2 2 314.404 4.134 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352794137 336237174 /nfs/dbraw/zinc/23/71/74/336237174.db2.gz UWVRSTIUNPTFRC-GOSISDBHSA-N 2 2 317.502 4.000 20 0 DIADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2ccccc2c1 ZINC000532452117 336250148 /nfs/dbraw/zinc/25/01/48/336250148.db2.gz SNVURHDUYJSICL-INIZCTEOSA-N 2 2 315.420 4.381 20 0 DIADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000532475781 336251190 /nfs/dbraw/zinc/25/11/90/336251190.db2.gz LTJQBSBPWMDSCL-HNNXBMFYSA-N 2 2 314.498 4.236 20 0 DIADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000532475781 336251191 /nfs/dbraw/zinc/25/11/91/336251191.db2.gz LTJQBSBPWMDSCL-HNNXBMFYSA-N 2 2 314.498 4.236 20 0 DIADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000532511421 336252899 /nfs/dbraw/zinc/25/28/99/336252899.db2.gz CADIHJXHQILKAL-CVEARBPZSA-N 2 2 323.444 4.062 20 0 DIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192687711 336258785 /nfs/dbraw/zinc/25/87/85/336258785.db2.gz SDRASVPVLVUCQB-HXUWFJFHSA-N 2 2 324.468 4.220 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)c2)cc1 ZINC000324918392 336273747 /nfs/dbraw/zinc/27/37/47/336273747.db2.gz YZEFDSZDUUZKJW-LEWJYISDSA-N 2 2 322.452 4.195 20 0 DIADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000324918392 336273748 /nfs/dbraw/zinc/27/37/48/336273748.db2.gz YZEFDSZDUUZKJW-LEWJYISDSA-N 2 2 322.452 4.195 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC3(CCCC3)CC1)CCC2 ZINC000352846141 336276664 /nfs/dbraw/zinc/27/66/64/336276664.db2.gz RSVYGOUBGQAFRE-MRXNPFEDSA-N 2 2 301.478 4.162 20 0 DIADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325296740 336282903 /nfs/dbraw/zinc/28/29/03/336282903.db2.gz OIMGNMLMMDNALL-JKSUJKDBSA-N 2 2 321.424 4.293 20 0 DIADLP CCc1cc(NCc2[nH+]ccn2CC(C)C)c2ccccc2[nH+]1 ZINC000301812437 336331738 /nfs/dbraw/zinc/33/17/38/336331738.db2.gz YCWIMEFUIOGDOU-UHFFFAOYSA-N 2 2 308.429 4.262 20 0 DIADLP CC[N@H+](C)Cc1cccc(CNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000301977146 336340973 /nfs/dbraw/zinc/34/09/73/336340973.db2.gz FLKXPWOCANUMJS-UHFFFAOYSA-N 2 2 323.362 4.164 20 0 DIADLP CC[N@@H+](C)Cc1cccc(CNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000301977146 336340974 /nfs/dbraw/zinc/34/09/74/336340974.db2.gz FLKXPWOCANUMJS-UHFFFAOYSA-N 2 2 323.362 4.164 20 0 DIADLP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834244 336371311 /nfs/dbraw/zinc/37/13/11/336371311.db2.gz SYCMJWRIUWSWSI-DOTOQJQBSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH+]1 ZINC000302834244 336371312 /nfs/dbraw/zinc/37/13/12/336371312.db2.gz SYCMJWRIUWSWSI-DOTOQJQBSA-N 2 2 319.811 4.040 20 0 DIADLP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000563944850 336388017 /nfs/dbraw/zinc/38/80/17/336388017.db2.gz YLHGTPANKICLNT-GOSISDBHSA-N 2 2 319.880 4.174 20 0 DIADLP Cc1[nH+]cc(CNc2cc(C3CC3)cc[nH+]2)n1-c1ccccc1 ZINC000353086141 336400232 /nfs/dbraw/zinc/40/02/32/336400232.db2.gz WASASYZZYNJQIE-UHFFFAOYSA-N 2 2 304.397 4.065 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCC(F)(F)CC1 ZINC000353245058 336408022 /nfs/dbraw/zinc/40/80/22/336408022.db2.gz RTHQDRSEDXDEFN-CQSZACIVSA-N 2 2 319.399 4.176 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C)c1 ZINC000353408598 336415942 /nfs/dbraw/zinc/41/59/42/336415942.db2.gz UCWSMQFMLFUIKB-NRFANRHFSA-N 2 2 319.452 4.481 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](CCC(C)C)c1ccoc1)CCC2 ZINC000353510810 336421466 /nfs/dbraw/zinc/42/14/66/336421466.db2.gz ACFRMMYKCUAOCZ-SJLPKXTDSA-N 2 2 315.461 4.429 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C)cc1 ZINC000353592313 336427474 /nfs/dbraw/zinc/42/74/74/336427474.db2.gz ACPKADIVJCLTPU-NRFANRHFSA-N 2 2 319.452 4.481 20 0 DIADLP Cc1oc2ccccc2c1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354646156 336477504 /nfs/dbraw/zinc/47/75/04/336477504.db2.gz HTCOPTUKMHXPJN-UHFFFAOYSA-N 2 2 308.425 4.210 20 0 DIADLP COc1ccccc1C1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCC1 ZINC000354651499 336477690 /nfs/dbraw/zinc/47/76/90/336477690.db2.gz PMOZKGSCNZPAJY-UHFFFAOYSA-N 2 2 324.468 4.043 20 0 DIADLP CCc1cccc(Cl)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000355754905 336521133 /nfs/dbraw/zinc/52/11/33/336521133.db2.gz IJFXRURFVXUTBY-UHFFFAOYSA-N 2 2 303.837 4.005 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccco2)c(C)c1 ZINC000358351912 336625570 /nfs/dbraw/zinc/62/55/70/336625570.db2.gz MJJURUWVFKNECO-WMZOPIPTSA-N 2 2 309.413 4.185 20 0 DIADLP Cc1cc(NCCCn2cc[nH+]c2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000359441313 336673256 /nfs/dbraw/zinc/67/32/56/336673256.db2.gz TVZIHFMSOZSTOQ-UHFFFAOYSA-N 2 2 314.820 4.204 20 0 DIADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1ccccc1 ZINC000359592606 336679388 /nfs/dbraw/zinc/67/93/88/336679388.db2.gz NXRZISXEJOKODV-GOSISDBHSA-N 2 2 307.441 4.476 20 0 DIADLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000359626555 336680841 /nfs/dbraw/zinc/68/08/41/336680841.db2.gz APDYZWYCKAQSTF-NRFANRHFSA-N 2 2 323.484 4.033 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000361002502 336732211 /nfs/dbraw/zinc/73/22/11/336732211.db2.gz JWHUPKLLOAXPIY-VNQPRFMTSA-N 2 2 309.523 4.003 20 0 DIADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361481534 336758304 /nfs/dbraw/zinc/75/83/04/336758304.db2.gz OCIFCYZGDSONHJ-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361483505 336758742 /nfs/dbraw/zinc/75/87/42/336758742.db2.gz DXTGIPQINLQBAX-VBKZILBWSA-N 2 2 321.399 4.035 20 0 DIADLP COc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000361864887 336776039 /nfs/dbraw/zinc/77/60/39/336776039.db2.gz GUBMGQRVNXZWIY-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP c1cn(CCCC[NH2+]C2c3ccccc3-c3ccccc32)c[nH+]1 ZINC000390883180 336949125 /nfs/dbraw/zinc/94/91/25/336949125.db2.gz VKMMHAQJEPRKSY-UHFFFAOYSA-N 2 2 303.409 4.023 20 0 DIADLP CC(C)CC[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373495111 336962251 /nfs/dbraw/zinc/96/22/51/336962251.db2.gz MJBOUWBHQQHYTP-JEYLPNPQSA-N 2 2 320.443 4.206 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000123026678 337034254 /nfs/dbraw/zinc/03/42/54/337034254.db2.gz XXWAUIKRQZAIIM-SFHVURJKSA-N 2 2 323.484 4.014 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000582454062 337055174 /nfs/dbraw/zinc/05/51/74/337055174.db2.gz LIZBXUVFUTYGME-ZWKOTPCHSA-N 2 2 319.452 4.213 20 0 DIADLP c1ccc(N2CCC([NH2+]Cc3ccc(C4CCC4)cc3)CC2)[nH+]c1 ZINC000582474756 337095831 /nfs/dbraw/zinc/09/58/31/337095831.db2.gz BPRBKBRWOMCLCN-UHFFFAOYSA-N 2 2 321.468 4.108 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106289 337198745 /nfs/dbraw/zinc/19/87/45/337198745.db2.gz IXKGSZIKSDRONL-OXJNMPFZSA-N 2 2 306.453 4.241 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106289 337198746 /nfs/dbraw/zinc/19/87/46/337198746.db2.gz IXKGSZIKSDRONL-OXJNMPFZSA-N 2 2 306.453 4.241 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000191605887 337297876 /nfs/dbraw/zinc/29/78/76/337297876.db2.gz IRMTYVKHHDAHQT-OAHLLOKOSA-N 2 2 320.374 4.141 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000192103702 337302887 /nfs/dbraw/zinc/30/28/87/337302887.db2.gz NDJZYZGRIVLGPQ-MRXNPFEDSA-N 2 2 321.424 4.079 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000192103702 337302888 /nfs/dbraw/zinc/30/28/88/337302888.db2.gz NDJZYZGRIVLGPQ-MRXNPFEDSA-N 2 2 321.424 4.079 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000192103696 337303009 /nfs/dbraw/zinc/30/30/09/337303009.db2.gz NDJZYZGRIVLGPQ-INIZCTEOSA-N 2 2 321.424 4.079 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000192103696 337303010 /nfs/dbraw/zinc/30/30/10/337303010.db2.gz NDJZYZGRIVLGPQ-INIZCTEOSA-N 2 2 321.424 4.079 20 0 DIADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000321985555 337309425 /nfs/dbraw/zinc/30/94/25/337309425.db2.gz JZFBNLHCVPMYDP-KYNGSXCRSA-N 2 2 310.441 4.269 20 0 DIADLP C[C@H]([NH2+]CCCNc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132088442 337439957 /nfs/dbraw/zinc/43/99/57/337439957.db2.gz JHIJGJSSGFCROV-KRWDZBQOSA-N 2 2 320.440 4.025 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](CC(F)F)c2ccccc2)c[nH+]1 ZINC000421374557 337528436 /nfs/dbraw/zinc/52/84/36/337528436.db2.gz PEYSDRYPJMHZEN-QGZVFWFLSA-N 2 2 304.384 4.309 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000571956959 337583352 /nfs/dbraw/zinc/58/33/52/337583352.db2.gz OVWFDCLEBXYJEU-GOSISDBHSA-N 2 2 308.469 4.423 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OCC2CC2)c1 ZINC000422870656 337689468 /nfs/dbraw/zinc/68/94/68/337689468.db2.gz XULXHIZXROXJHD-VQTJNVASSA-N 2 2 322.452 4.018 20 0 DIADLP CC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000423246945 337707051 /nfs/dbraw/zinc/70/70/51/337707051.db2.gz OCEPFZNPMFYPOC-LLVKDONJSA-N 2 2 323.893 4.032 20 0 DIADLP [NH3+][C@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)c1ccccc1 ZINC000423254270 337707571 /nfs/dbraw/zinc/70/75/71/337707571.db2.gz ZSNMUHOVRREUAG-SJLPKXTDSA-N 2 2 300.471 4.269 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC[NH2+]1 ZINC000423378098 337717527 /nfs/dbraw/zinc/71/75/27/337717527.db2.gz MFGSWYAYFILZPC-KKZNHRDASA-N 2 2 319.301 4.162 20 0 DIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423494567 337722808 /nfs/dbraw/zinc/72/28/08/337722808.db2.gz AXQKQSMAYCNMEP-CXAGYDPISA-N 2 2 310.432 4.052 20 0 DIADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1c(C)noc1C ZINC000090886632 337886694 /nfs/dbraw/zinc/88/66/94/337886694.db2.gz SYFGAQVOSBWIKQ-SCLBCKFNSA-N 2 2 324.428 4.279 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc3ccc(C)cc3o1)CCC2 ZINC000426027781 338019846 /nfs/dbraw/zinc/01/98/46/338019846.db2.gz CJJIMWRDSOARCM-RDJZCZTQSA-N 2 2 323.440 4.474 20 0 DIADLP Cc1ccc(CCC[NH2+]C[C@@H](Nc2ccccc2)C(C)C)c[nH+]1 ZINC000428274099 338045134 /nfs/dbraw/zinc/04/51/34/338045134.db2.gz HHMRJVTVFNXRBA-HXUWFJFHSA-N 2 2 311.473 4.049 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1oc(C(C)C)nc1C ZINC000428443341 338051828 /nfs/dbraw/zinc/05/18/28/338051828.db2.gz YHUYOQPJWXKBRW-IAGOWNOFSA-N 2 2 321.509 4.097 20 0 DIADLP CC(C)(C)c1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000428468759 338053992 /nfs/dbraw/zinc/05/39/92/338053992.db2.gz HABFIRHPDXBTHC-UHFFFAOYSA-N 2 2 311.473 4.060 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429029060 338069207 /nfs/dbraw/zinc/06/92/07/338069207.db2.gz NRUGBGRHAMOWHD-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429029060 338069208 /nfs/dbraw/zinc/06/92/08/338069208.db2.gz NRUGBGRHAMOWHD-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429029060 338069209 /nfs/dbraw/zinc/06/92/09/338069209.db2.gz NRUGBGRHAMOWHD-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429029060 338069210 /nfs/dbraw/zinc/06/92/10/338069210.db2.gz NRUGBGRHAMOWHD-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429537636 338083210 /nfs/dbraw/zinc/08/32/10/338083210.db2.gz QTJURSWHZKAJJF-GXTWGEPZSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429537636 338083211 /nfs/dbraw/zinc/08/32/11/338083211.db2.gz QTJURSWHZKAJJF-GXTWGEPZSA-N 2 2 315.288 4.471 20 0 DIADLP CCCC[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432244685 338150204 /nfs/dbraw/zinc/15/02/04/338150204.db2.gz DHVCHMYWPMWWBP-UHFFFAOYSA-N 2 2 321.317 4.409 20 0 DIADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250339 338150705 /nfs/dbraw/zinc/15/07/05/338150705.db2.gz IOLHEIYKBDNWRN-RYUDHWBXSA-N 2 2 319.251 4.095 20 0 DIADLP c1[nH]cc(C2CC[NH+](CCCc3cccc4ccccc43)CC2)[nH+]1 ZINC000434982831 338228499 /nfs/dbraw/zinc/22/84/99/338228499.db2.gz NOZMGMNEPCSNTN-UHFFFAOYSA-N 2 2 319.452 4.375 20 0 DIADLP Cc1cc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)oc2cc1C ZINC000435057239 338231251 /nfs/dbraw/zinc/23/12/51/338231251.db2.gz PFZGOSFTMDDNIB-GOSISDBHSA-N 2 2 322.408 4.098 20 0 DIADLP Cc1cc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)oc2cc1C ZINC000435057239 338231252 /nfs/dbraw/zinc/23/12/52/338231252.db2.gz PFZGOSFTMDDNIB-GOSISDBHSA-N 2 2 322.408 4.098 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788515 338249343 /nfs/dbraw/zinc/24/93/43/338249343.db2.gz FIAKHWWMOQFZAN-HLRQEUIKSA-N 2 2 320.480 4.358 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435788515 338249344 /nfs/dbraw/zinc/24/93/44/338249344.db2.gz FIAKHWWMOQFZAN-HLRQEUIKSA-N 2 2 320.480 4.358 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000436285634 338266107 /nfs/dbraw/zinc/26/61/07/338266107.db2.gz FNRRRFGLLFYJHA-QUCCMNQESA-N 2 2 317.436 4.298 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000437006148 338297454 /nfs/dbraw/zinc/29/74/54/338297454.db2.gz HEDMJLOXKJYQEX-AZUAARDMSA-N 2 2 309.457 4.027 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000437583448 338314723 /nfs/dbraw/zinc/31/47/23/338314723.db2.gz SRPOGRXBZSZGOF-ACRUOGEOSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000437583448 338314724 /nfs/dbraw/zinc/31/47/24/338314724.db2.gz SRPOGRXBZSZGOF-ACRUOGEOSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591645 338315445 /nfs/dbraw/zinc/31/54/45/338315445.db2.gz PIKLVLUNLIZMLU-YLAKUSLOSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591645 338315446 /nfs/dbraw/zinc/31/54/46/338315446.db2.gz PIKLVLUNLIZMLU-YLAKUSLOSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000438118489 338333061 /nfs/dbraw/zinc/33/30/61/338333061.db2.gz QOAKTHGWIUWTCX-QUCCMNQESA-N 2 2 309.457 4.100 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156191219 338344718 /nfs/dbraw/zinc/34/47/18/338344718.db2.gz DWXIGQZEYMVZCM-MDZLAQPJSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156191219 338344719 /nfs/dbraw/zinc/34/47/19/338344719.db2.gz DWXIGQZEYMVZCM-MDZLAQPJSA-N 2 2 301.261 4.127 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000442632833 338426416 /nfs/dbraw/zinc/42/64/16/338426416.db2.gz GKMTZZHWDRBKAS-QAPCUYQASA-N 2 2 314.498 4.362 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000442632834 338426429 /nfs/dbraw/zinc/42/64/29/338426429.db2.gz GKMTZZHWDRBKAS-YJBOKZPZSA-N 2 2 314.498 4.362 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000442855980 338435082 /nfs/dbraw/zinc/43/50/82/338435082.db2.gz CQNKPWZVVGKJAM-FHERZECASA-N 2 2 304.503 4.076 20 0 DIADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc2ccccc2s1 ZINC000446747854 338534610 /nfs/dbraw/zinc/53/46/10/338534610.db2.gz IZHKKOJDZOEUOL-CQSZACIVSA-N 2 2 321.449 4.442 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)c(C)o1 ZINC000447517629 338553602 /nfs/dbraw/zinc/55/36/02/338553602.db2.gz LRNUKXRRSYZVNH-AWEZNQCLSA-N 2 2 311.429 4.295 20 0 DIADLP CC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccncc1 ZINC000453095679 338793214 /nfs/dbraw/zinc/79/32/14/338793214.db2.gz USXUQDRXXGAHIP-NHCUHLMSSA-N 2 2 323.484 4.268 20 0 DIADLP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000453119123 338796005 /nfs/dbraw/zinc/79/60/05/338796005.db2.gz LQVGXPGFBXSHEZ-DNVCBOLYSA-N 2 2 306.413 4.069 20 0 DIADLP C[C@H](c1ccccc1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459320542 339021578 /nfs/dbraw/zinc/02/15/78/339021578.db2.gz DZKOBOPQTNGZAW-GOSISDBHSA-N 2 2 319.452 4.226 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459320542 339021579 /nfs/dbraw/zinc/02/15/79/339021579.db2.gz DZKOBOPQTNGZAW-GOSISDBHSA-N 2 2 319.452 4.226 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)c[nH+]c12 ZINC000462750215 339086735 /nfs/dbraw/zinc/08/67/35/339086735.db2.gz YLBNHDYDXXUWFO-AZUAARDMSA-N 2 2 319.452 4.144 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462885289 339096212 /nfs/dbraw/zinc/09/62/12/339096212.db2.gz SJUPCLWWXVWWMV-JKSUJKDBSA-N 2 2 324.472 4.099 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)C3CCSCC3)cc2)c1C ZINC000463041239 339102618 /nfs/dbraw/zinc/10/26/18/339102618.db2.gz GSPQNSUSZHPBIY-CQSZACIVSA-N 2 2 315.486 4.433 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000463127891 339106679 /nfs/dbraw/zinc/10/66/79/339106679.db2.gz BTMGMYXKWGCAEF-HNNXBMFYSA-N 2 2 320.908 4.473 20 0 DIADLP CC(C)[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463131938 339106812 /nfs/dbraw/zinc/10/68/12/339106812.db2.gz QLUREIKCKJVQDU-OAHLLOKOSA-N 2 2 308.897 4.186 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000463165251 339107811 /nfs/dbraw/zinc/10/78/11/339107811.db2.gz VPJFPGSGAVQKJM-LRQRDZAKSA-N 2 2 317.436 4.327 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000463201632 339109046 /nfs/dbraw/zinc/10/90/46/339109046.db2.gz MGOQJULSZBLUTC-HKUYNNGSSA-N 2 2 311.473 4.389 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000463201632 339109047 /nfs/dbraw/zinc/10/90/47/339109047.db2.gz MGOQJULSZBLUTC-HKUYNNGSSA-N 2 2 311.473 4.389 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000463201636 339109112 /nfs/dbraw/zinc/10/91/12/339109112.db2.gz MGOQJULSZBLUTC-MJGOQNOKSA-N 2 2 311.473 4.389 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000463201636 339109113 /nfs/dbraw/zinc/10/91/13/339109113.db2.gz MGOQJULSZBLUTC-MJGOQNOKSA-N 2 2 311.473 4.389 20 0 DIADLP CC1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000463246093 339111690 /nfs/dbraw/zinc/11/16/90/339111690.db2.gz PIKDDHBUIRKABC-UHFFFAOYSA-N 2 2 306.881 4.084 20 0 DIADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000467550618 339242122 /nfs/dbraw/zinc/24/21/22/339242122.db2.gz LXARIXHXCHMAQJ-WMZOPIPTSA-N 2 2 305.425 4.102 20 0 DIADLP CCCCOc1ccccc1C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000468394928 339261747 /nfs/dbraw/zinc/26/17/47/339261747.db2.gz WZSBTHLCODUSEF-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CCCCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000468394928 339261748 /nfs/dbraw/zinc/26/17/48/339261748.db2.gz WZSBTHLCODUSEF-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1CCc1ccccc1)CCC2 ZINC000468551626 339266077 /nfs/dbraw/zinc/26/60/77/339266077.db2.gz DPOXRWNZGGQONG-UFYCRDLUSA-N 2 2 323.484 4.152 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469741827 339297557 /nfs/dbraw/zinc/29/75/57/339297557.db2.gz MMBDRXCVFJQYKW-DOMZBBRYSA-N 2 2 320.795 4.088 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469741827 339297558 /nfs/dbraw/zinc/29/75/58/339297558.db2.gz MMBDRXCVFJQYKW-DOMZBBRYSA-N 2 2 320.795 4.088 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000469776267 339298857 /nfs/dbraw/zinc/29/88/57/339298857.db2.gz POAKBJCPODWQCG-BZUAXINKSA-N 2 2 323.550 4.285 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471576638 339347799 /nfs/dbraw/zinc/34/77/99/339347799.db2.gz DHTZHPPCVWWSCB-QINHECLXSA-N 2 2 314.448 4.038 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471597723 339348738 /nfs/dbraw/zinc/34/87/38/339348738.db2.gz GSRRMMDRFSAJOA-KHYOSLBOSA-N 2 2 300.421 4.168 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471611405 339349492 /nfs/dbraw/zinc/34/94/92/339349492.db2.gz QFEAICSHOKUJTO-FTRWYGJKSA-N 2 2 312.457 4.037 20 0 DIADLP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H](c1ccccc1)[NH+](C)C ZINC000472063500 339361720 /nfs/dbraw/zinc/36/17/20/339361720.db2.gz DSUKLIKPMNTSIS-FOIQADDNSA-N 2 2 308.425 4.214 20 0 DIADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000474026672 339397449 /nfs/dbraw/zinc/39/74/49/339397449.db2.gz ACXIOEHLJGWNSC-JKSUJKDBSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCC(F)(F)CC1 ZINC000474026672 339397450 /nfs/dbraw/zinc/39/74/50/339397450.db2.gz ACXIOEHLJGWNSC-JKSUJKDBSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000474042096 339398538 /nfs/dbraw/zinc/39/85/38/339398538.db2.gz WUJWNXYLXNEGLL-RLFYNMQTSA-N 2 2 324.459 4.481 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCC(F)(F)CC1 ZINC000474049579 339399187 /nfs/dbraw/zinc/39/91/87/339399187.db2.gz ZVWLJOCJQXMGRD-AWEZNQCLSA-N 2 2 311.420 4.077 20 0 DIADLP CC(C)C[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000474155881 339404745 /nfs/dbraw/zinc/40/47/45/339404745.db2.gz DIQRRZRUZCXTEK-LJQANCHMSA-N 2 2 311.473 4.419 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc(F)cc2Cl)c[nH+]1 ZINC000474813461 339427754 /nfs/dbraw/zinc/42/77/54/339427754.db2.gz CUJVOELHVLOVKN-CYBMUJFWSA-N 2 2 306.812 4.466 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000475091757 339438476 /nfs/dbraw/zinc/43/84/76/339438476.db2.gz YRBXBBLSVVRMFL-RTWAWAEBSA-N 2 2 308.469 4.324 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000475356659 339448945 /nfs/dbraw/zinc/44/89/45/339448945.db2.gz MVZVXLWCCILXNI-QUCCMNQESA-N 2 2 312.432 4.388 20 0 DIADLP CCc1cccc(Cl)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475551410 339454752 /nfs/dbraw/zinc/45/47/52/339454752.db2.gz UDKPMIXRAOYATO-UHFFFAOYSA-N 2 2 306.881 4.009 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@H](c4cccc(F)c4)C3)n2c1 ZINC000475557958 339455094 /nfs/dbraw/zinc/45/50/94/339455094.db2.gz GDHMHHKMKXMVIS-WMZOPIPTSA-N 2 2 323.415 4.208 20 0 DIADLP Clc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000475571417 339455882 /nfs/dbraw/zinc/45/58/82/339455882.db2.gz MBUNFSSFODFFTD-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cs1 ZINC000477935866 339505445 /nfs/dbraw/zinc/50/54/45/339505445.db2.gz WYBDQCKJYNGFHT-AWEZNQCLSA-N 2 2 309.523 4.039 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000479434434 339534889 /nfs/dbraw/zinc/53/48/89/339534889.db2.gz CVTRKUMIOFEJMD-SJORKVTESA-N 2 2 311.473 4.088 20 0 DIADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000479865621 339551504 /nfs/dbraw/zinc/55/15/04/339551504.db2.gz YFOBTHQPRWMISC-GOSISDBHSA-N 2 2 319.880 4.174 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480778999 339586999 /nfs/dbraw/zinc/58/69/99/339586999.db2.gz ZSSPWEHBKLCYRQ-HNNXBMFYSA-N 2 2 324.559 4.069 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@H](c4ccccc4F)C3)c[nH+]c12 ZINC000481834516 339614986 /nfs/dbraw/zinc/61/49/86/339614986.db2.gz ITFICFULPGXYDH-HOTGVXAUSA-N 2 2 323.415 4.208 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1Cl ZINC000483120406 339652695 /nfs/dbraw/zinc/65/26/95/339652695.db2.gz OKRXWCFZJWNTNF-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000483157366 339654478 /nfs/dbraw/zinc/65/44/78/339654478.db2.gz OVQKAOXSJINDHV-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc2ccccc21 ZINC000484284651 339683737 /nfs/dbraw/zinc/68/37/37/339683737.db2.gz SWPJMZXOEKHFBH-INIZCTEOSA-N 2 2 305.425 4.388 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000499054635 340028771 /nfs/dbraw/zinc/02/87/71/340028771.db2.gz KJJPLZXBQPQMIE-FQEVSTJZSA-N 2 2 323.415 4.134 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000499054635 340028772 /nfs/dbraw/zinc/02/87/72/340028772.db2.gz KJJPLZXBQPQMIE-FQEVSTJZSA-N 2 2 323.415 4.134 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000500032411 340048995 /nfs/dbraw/zinc/04/89/95/340048995.db2.gz AOXUYWRCYBJARC-POAQFYNOSA-N 2 2 316.489 4.000 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000500032412 340049029 /nfs/dbraw/zinc/04/90/29/340049029.db2.gz AOXUYWRCYBJARC-QRFRQXIXSA-N 2 2 316.489 4.000 20 0 DIADLP C[C@H]1C[C@]1([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000500423651 340058080 /nfs/dbraw/zinc/05/80/80/340058080.db2.gz KMZCYAZFMJCEIE-SCLBCKFNSA-N 2 2 311.816 4.013 20 0 DIADLP CC[C@H]1C[C@@]1([NH2+]Cc1c[nH+]c2c(C)cccn12)c1cccc(C)c1 ZINC000500507280 340060972 /nfs/dbraw/zinc/06/09/72/340060972.db2.gz INWOOONDFXQOBV-UWJYYQICSA-N 2 2 319.452 4.366 20 0 DIADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC(C)(C)[NH+](C)C ZINC000501391126 340079879 /nfs/dbraw/zinc/07/98/79/340079879.db2.gz WBKNDPNVBHILAP-JLHYYAGUSA-N 2 2 314.395 4.039 20 0 DIADLP CC(C)OC[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000501446123 340081245 /nfs/dbraw/zinc/08/12/45/340081245.db2.gz SDZUKIRDAMZNBW-QZTJIDSGSA-N 2 2 318.505 4.053 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000502508108 340106298 /nfs/dbraw/zinc/10/62/98/340106298.db2.gz JWAPAKCFXIOTAG-LSDHHAIUSA-N 2 2 319.399 4.348 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063487 340119963 /nfs/dbraw/zinc/11/99/63/340119963.db2.gz MVUHJHPGPQHIGX-LRDDRELGSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063487 340119964 /nfs/dbraw/zinc/11/99/64/340119964.db2.gz MVUHJHPGPQHIGX-LRDDRELGSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1F)Cn1cc[nH+]c1 ZINC000503569550 340130812 /nfs/dbraw/zinc/13/08/12/340130812.db2.gz UCUQIHFSKSDPNX-MRXNPFEDSA-N 2 2 323.415 4.115 20 0 DIADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503593014 340131945 /nfs/dbraw/zinc/13/19/45/340131945.db2.gz SFNZNMZNHQIGHP-JKSUJKDBSA-N 2 2 314.429 4.034 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](c2ccc(F)cc2)C(C)C)c[nH+]1 ZINC000504589325 340149720 /nfs/dbraw/zinc/14/97/20/340149720.db2.gz KBAJJTVIFRMWCW-IBGZPJMESA-N 2 2 300.421 4.449 20 0 DIADLP CCC[N@H+](C)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000506435321 340194579 /nfs/dbraw/zinc/19/45/79/340194579.db2.gz ZHVCPYZGQHCMFR-UHFFFAOYSA-N 2 2 323.440 4.064 20 0 DIADLP CCC[N@@H+](C)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000506435321 340194580 /nfs/dbraw/zinc/19/45/80/340194580.db2.gz ZHVCPYZGQHCMFR-UHFFFAOYSA-N 2 2 323.440 4.064 20 0 DIADLP Cc1cc(Cl)cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000507112806 340207803 /nfs/dbraw/zinc/20/78/03/340207803.db2.gz XQTCQTXZCUXRNQ-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507459031 340220603 /nfs/dbraw/zinc/22/06/03/340220603.db2.gz FHGCWMFSUJWHQB-DZGCQCFKSA-N 2 2 320.443 4.208 20 0 DIADLP CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507709725 340229031 /nfs/dbraw/zinc/22/90/31/340229031.db2.gz NNEOALZZBAXPRX-UHFFFAOYSA-N 2 2 323.415 4.424 20 0 DIADLP CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507709725 340229032 /nfs/dbraw/zinc/22/90/32/340229032.db2.gz NNEOALZZBAXPRX-UHFFFAOYSA-N 2 2 323.415 4.424 20 0 DIADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000508666432 340250045 /nfs/dbraw/zinc/25/00/45/340250045.db2.gz ZHBZKFNKTBWERI-KXBFYZLASA-N 2 2 320.908 4.473 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)[nH]1 ZINC000510539179 340302228 /nfs/dbraw/zinc/30/22/28/340302228.db2.gz PKLZYEWWZOIUHN-FQEVSTJZSA-N 2 2 317.436 4.456 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)[nH]1 ZINC000510539179 340302229 /nfs/dbraw/zinc/30/22/29/340302229.db2.gz PKLZYEWWZOIUHN-FQEVSTJZSA-N 2 2 317.436 4.456 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303144303 340305329 /nfs/dbraw/zinc/30/53/29/340305329.db2.gz DKPGDCIIRFKMBP-MSOLQXFVSA-N 2 2 318.480 4.475 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303144303 340305330 /nfs/dbraw/zinc/30/53/30/340305330.db2.gz DKPGDCIIRFKMBP-MSOLQXFVSA-N 2 2 318.480 4.475 20 0 DIADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)[N@H+](C)Cc1ccccc1 ZINC000510715354 340307699 /nfs/dbraw/zinc/30/76/99/340307699.db2.gz NKGXVXKYRMQKTF-NEWSRXKRSA-N 2 2 306.469 4.015 20 0 DIADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)[N@@H+](C)Cc1ccccc1 ZINC000510715354 340307700 /nfs/dbraw/zinc/30/77/00/340307700.db2.gz NKGXVXKYRMQKTF-NEWSRXKRSA-N 2 2 306.469 4.015 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000510731737 340308469 /nfs/dbraw/zinc/30/84/69/340308469.db2.gz GWGOXQZODCLHOE-RSPOEFSDSA-N 2 2 318.480 4.330 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000510731737 340308470 /nfs/dbraw/zinc/30/84/70/340308470.db2.gz GWGOXQZODCLHOE-RSPOEFSDSA-N 2 2 318.480 4.330 20 0 DIADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000510740632 340309141 /nfs/dbraw/zinc/30/91/41/340309141.db2.gz VLAWCSRDQJAGOI-BBWFWOEESA-N 2 2 324.509 4.393 20 0 DIADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CSc4ccccc43)CC2)cc1 ZINC000303376356 340324048 /nfs/dbraw/zinc/32/40/48/340324048.db2.gz GXKRGOOAQHGJKO-IBGZPJMESA-N 2 2 324.493 4.088 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000511897689 340342311 /nfs/dbraw/zinc/34/23/11/340342311.db2.gz UQUYWQCYGNPRSL-FOIQADDNSA-N 2 2 308.425 4.214 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181167 340351190 /nfs/dbraw/zinc/35/11/90/340351190.db2.gz OMECPUFYPCYLOJ-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000512181167 340351191 /nfs/dbraw/zinc/35/11/91/340351191.db2.gz OMECPUFYPCYLOJ-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181167 340351192 /nfs/dbraw/zinc/35/11/92/340351192.db2.gz OMECPUFYPCYLOJ-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000512181167 340351193 /nfs/dbraw/zinc/35/11/93/340351193.db2.gz OMECPUFYPCYLOJ-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196198 340351837 /nfs/dbraw/zinc/35/18/37/340351837.db2.gz NMQNKPOMYSLSOV-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196198 340351838 /nfs/dbraw/zinc/35/18/38/340351838.db2.gz NMQNKPOMYSLSOV-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000512196198 340351839 /nfs/dbraw/zinc/35/18/39/340351839.db2.gz NMQNKPOMYSLSOV-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000512196198 340351840 /nfs/dbraw/zinc/35/18/40/340351840.db2.gz NMQNKPOMYSLSOV-HOTGVXAUSA-N 2 2 322.443 4.051 20 0 DIADLP CC(C)(C)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000512380187 340359575 /nfs/dbraw/zinc/35/95/75/340359575.db2.gz XGRXSADNTNTGIW-UHFFFAOYSA-N 2 2 303.475 4.148 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000173379269 340363841 /nfs/dbraw/zinc/36/38/41/340363841.db2.gz JVJSWNSEVXVAKY-OAHLLOKOSA-N 2 2 315.486 4.346 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000513083321 340392612 /nfs/dbraw/zinc/39/26/12/340392612.db2.gz NSPUVOSHMVNYOQ-LEWJYISDSA-N 2 2 317.436 4.298 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cncc(C)c2)[NH+]2CCCC2)cc1 ZINC000184330306 340492015 /nfs/dbraw/zinc/49/20/15/340492015.db2.gz ZSYCCAJYBDZZAY-WIYYLYMNSA-N 2 2 323.484 4.186 20 0 DIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000237570297 340672267 /nfs/dbraw/zinc/67/22/67/340672267.db2.gz ARZANQHRJFCEJI-KXBFYZLASA-N 2 2 316.489 4.147 20 0 DIADLP Cc1ccc([C@H](C[NH2+]Cc2ccc(C(F)F)cc2)[NH+](C)C)cc1 ZINC000525987291 340707632 /nfs/dbraw/zinc/70/76/32/340707632.db2.gz GMBQTEAFKYKXIL-SFHVURJKSA-N 2 2 318.411 4.325 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C/C=C(\C)Cl)CC1 ZINC000528432023 340718563 /nfs/dbraw/zinc/71/85/63/340718563.db2.gz OSJCXBZASCQLFR-RIYZIHGNSA-N 2 2 317.864 4.378 20 0 DIADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000037150060 340765255 /nfs/dbraw/zinc/76/52/55/340765255.db2.gz USQPGQCKFSUSKD-UHFFFAOYSA-N 2 2 315.288 4.348 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530218544 340782932 /nfs/dbraw/zinc/78/29/32/340782932.db2.gz WUUIOMJLPOZDLF-DYVFJYSZSA-N 2 2 322.880 4.062 20 0 DIADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000538099555 340809190 /nfs/dbraw/zinc/80/91/90/340809190.db2.gz XIFITLDLXFJQLW-FQEVSTJZSA-N 2 2 321.399 4.252 20 0 DIADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000125934193 340816294 /nfs/dbraw/zinc/81/62/94/340816294.db2.gz HYIWKSJDMHEFKI-ARFHVFGLSA-N 2 2 314.395 4.000 20 0 DIADLP Clc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000540406824 340930013 /nfs/dbraw/zinc/93/00/13/340930013.db2.gz NALLBVIERAEEMH-KRWDZBQOSA-N 2 2 303.837 4.058 20 0 DIADLP c1cn(-c2csc(CNc3cccc4cc[nH+]cc43)c2)c[nH+]1 ZINC000542312138 341004072 /nfs/dbraw/zinc/00/40/72/341004072.db2.gz VPIKFZXSSSGDNB-UHFFFAOYSA-N 2 2 306.394 4.094 20 0 DIADLP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466855 341008569 /nfs/dbraw/zinc/00/85/69/341008569.db2.gz LALCFLNDUMDITE-KXBFYZLASA-N 2 2 323.465 4.312 20 0 DIADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466855 341008570 /nfs/dbraw/zinc/00/85/70/341008570.db2.gz LALCFLNDUMDITE-KXBFYZLASA-N 2 2 323.465 4.312 20 0 DIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000070982404 341020896 /nfs/dbraw/zinc/02/08/96/341020896.db2.gz BGIOFHADFPYSKU-JXFKEZNVSA-N 2 2 324.468 4.157 20 0 DIADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1Cl ZINC000130586348 341029555 /nfs/dbraw/zinc/02/95/55/341029555.db2.gz HGFPYBMOFNQUKH-LBPRGKRZSA-N 2 2 317.795 4.020 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000543600833 341050625 /nfs/dbraw/zinc/05/06/25/341050625.db2.gz JBIPLALTYSOGAA-CABCVRRESA-N 2 2 311.454 4.351 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2)s1 ZINC000543605656 341050988 /nfs/dbraw/zinc/05/09/88/341050988.db2.gz SPQMBEURIWVABK-OAHLLOKOSA-N 2 2 311.454 4.353 20 0 DIADLP c1ccc([C@@H]2CC[C@@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000131127591 341062092 /nfs/dbraw/zinc/06/20/92/341062092.db2.gz GJUKXMNJBITCFD-RTBURBONSA-N 2 2 309.457 4.200 20 0 DIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000131225299 341066789 /nfs/dbraw/zinc/06/67/89/341066789.db2.gz IXKXHJQXENUVIQ-AWEZNQCLSA-N 2 2 324.896 4.120 20 0 DIADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072453 341069274 /nfs/dbraw/zinc/06/92/74/341069274.db2.gz WNSHGTRZAXAJMW-ZJOUEHCJSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000544072453 341069275 /nfs/dbraw/zinc/06/92/75/341069275.db2.gz WNSHGTRZAXAJMW-ZJOUEHCJSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1C([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1C ZINC000544828843 341095139 /nfs/dbraw/zinc/09/51/39/341095139.db2.gz ALLYENNPUYXWDF-MOPGFXCFSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccccc1C([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1C ZINC000544828843 341095140 /nfs/dbraw/zinc/09/51/40/341095140.db2.gz ALLYENNPUYXWDF-MOPGFXCFSA-N 2 2 322.496 4.465 20 0 DIADLP FC(F)(F)c1ccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000131888706 341113252 /nfs/dbraw/zinc/11/32/52/341113252.db2.gz LEXYYFXDWNMGIG-MRXNPFEDSA-N 2 2 323.362 4.129 20 0 DIADLP FC(F)(F)c1ccc([C@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000131888706 341113253 /nfs/dbraw/zinc/11/32/53/341113253.db2.gz LEXYYFXDWNMGIG-MRXNPFEDSA-N 2 2 323.362 4.129 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000545458565 341125794 /nfs/dbraw/zinc/12/57/94/341125794.db2.gz YWCMYQOLGHCBRJ-FVQBIDKESA-N 2 2 314.395 4.143 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000545458565 341125795 /nfs/dbraw/zinc/12/57/95/341125795.db2.gz YWCMYQOLGHCBRJ-FVQBIDKESA-N 2 2 314.395 4.143 20 0 DIADLP Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000545517539 341128118 /nfs/dbraw/zinc/12/81/18/341128118.db2.gz MDBVEVDLLGOVAL-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)s1 ZINC000546021915 341151742 /nfs/dbraw/zinc/15/17/42/341151742.db2.gz XBTPRMNCZRKKFT-RDTXWAMCSA-N 2 2 302.487 4.146 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000564299621 341153524 /nfs/dbraw/zinc/15/35/24/341153524.db2.gz PXHYZYVWATVJAS-HXUWFJFHSA-N 2 2 314.448 4.319 20 0 DIADLP CCC(CC)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546606279 341174595 /nfs/dbraw/zinc/17/45/95/341174595.db2.gz UEJHGRJHNHCASJ-CXAGYDPISA-N 2 2 312.860 4.250 20 0 DIADLP CCC(CC)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546606279 341174596 /nfs/dbraw/zinc/17/45/96/341174596.db2.gz UEJHGRJHNHCASJ-CXAGYDPISA-N 2 2 312.860 4.250 20 0 DIADLP FC(F)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000547308369 341204837 /nfs/dbraw/zinc/20/48/37/341204837.db2.gz WUMSCHGGLQOBDH-UHFFFAOYSA-N 2 2 317.383 4.096 20 0 DIADLP CCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000134196442 341209121 /nfs/dbraw/zinc/20/91/21/341209121.db2.gz JMHNYPQPGTZIDN-MRXNPFEDSA-N 2 2 312.457 4.157 20 0 DIADLP c1cn(C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)c[nH+]1 ZINC000548404007 341259174 /nfs/dbraw/zinc/25/91/74/341259174.db2.gz QSRXWMHXLIJDKJ-UHFFFAOYSA-N 2 2 323.484 4.494 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063504 341309274 /nfs/dbraw/zinc/30/92/74/341309274.db2.gz LUXHPFCBEAMZLA-QZTJIDSGSA-N 2 2 313.489 4.288 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063504 341309275 /nfs/dbraw/zinc/30/92/75/341309275.db2.gz LUXHPFCBEAMZLA-QZTJIDSGSA-N 2 2 313.489 4.288 20 0 DIADLP C[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245690468 341309827 /nfs/dbraw/zinc/30/98/27/341309827.db2.gz LQTPBLVERRKWIZ-BBRMVZONSA-N 2 2 312.860 4.108 20 0 DIADLP C[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245690468 341309828 /nfs/dbraw/zinc/30/98/28/341309828.db2.gz LQTPBLVERRKWIZ-BBRMVZONSA-N 2 2 312.860 4.108 20 0 DIADLP CC1=CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000551268165 341336431 /nfs/dbraw/zinc/33/64/31/341336431.db2.gz PVIXXFBFVSBXEH-SFHVURJKSA-N 2 2 318.892 4.393 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000551574739 341346178 /nfs/dbraw/zinc/34/61/78/341346178.db2.gz OUZYKNCNSRZUNL-GOSISDBHSA-N 2 2 317.864 4.360 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCCCF)CC1 ZINC000551703742 341349386 /nfs/dbraw/zinc/34/93/86/341349386.db2.gz IACRHRGJMYLWOL-UHFFFAOYSA-N 2 2 317.452 4.375 20 0 DIADLP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000551794560 341351918 /nfs/dbraw/zinc/35/19/18/341351918.db2.gz YJLZKHKJKFDFDP-QGZVFWFLSA-N 2 2 306.881 4.083 20 0 DIADLP CC1CCC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000551961292 341356176 /nfs/dbraw/zinc/35/61/76/341356176.db2.gz XHEOLEOGZALKHK-UHFFFAOYSA-N 2 2 320.908 4.473 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000247979776 341371777 /nfs/dbraw/zinc/37/17/77/341371777.db2.gz MFLLNONTVNWBNM-VDZJLULYSA-N 2 2 312.457 4.292 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000247979776 341371778 /nfs/dbraw/zinc/37/17/78/341371778.db2.gz MFLLNONTVNWBNM-VDZJLULYSA-N 2 2 312.457 4.292 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000248878645 341389193 /nfs/dbraw/zinc/38/91/93/341389193.db2.gz KEFNHAKEMFWBBT-UBHSHLNASA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000248878645 341389194 /nfs/dbraw/zinc/38/91/94/341389194.db2.gz KEFNHAKEMFWBBT-UBHSHLNASA-N 2 2 313.272 4.271 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000090049865 341412836 /nfs/dbraw/zinc/41/28/36/341412836.db2.gz PJYYXTXFKQUVAV-CQSZACIVSA-N 2 2 321.534 4.324 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CC[C@H]3C3CC3)ccc2n1C1CC1 ZINC000554095596 341444118 /nfs/dbraw/zinc/44/41/18/341444118.db2.gz QZVCKCAZMQTYEL-DLBZAZTESA-N 2 2 309.457 4.212 20 0 DIADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)[C@@H](C)C1CCCCC1 ZINC000554878251 341467815 /nfs/dbraw/zinc/46/78/15/341467815.db2.gz HFELXUPSQQOFFO-HZPDHXFCSA-N 2 2 312.461 4.343 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)c1ccccc1F ZINC000577305335 341903526 /nfs/dbraw/zinc/90/35/26/341903526.db2.gz SJWLMHMNVMNWGZ-UHFFFAOYSA-N 2 2 300.421 4.029 20 0 DIADLP CCCC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000266773421 521102048 /nfs/dbraw/zinc/10/20/48/521102048.db2.gz BMAZUQAENDXBPJ-LJQANCHMSA-N 2 2 320.440 4.288 20 0 DIADLP COc1c(C)c[nH+]c(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1C ZINC000336832241 521808946 /nfs/dbraw/zinc/80/89/46/521808946.db2.gz ADSCFUNREXHTIU-MRXNPFEDSA-N 2 2 302.443 4.106 20 0 DIADLP COc1c(C)c[nH+]c(C[N@H+]2CCC[C@@H]2c2ccsc2)c1C ZINC000336832241 521808954 /nfs/dbraw/zinc/80/89/54/521808954.db2.gz ADSCFUNREXHTIU-MRXNPFEDSA-N 2 2 302.443 4.106 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181756082 523195423 /nfs/dbraw/zinc/19/54/23/523195423.db2.gz MAYSYZAKGKLWDO-QKLQHJQFSA-N 2 2 315.505 4.165 20 0 DIADLP CCc1ccc([C@H](CC)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152773604 524048238 /nfs/dbraw/zinc/04/82/38/524048238.db2.gz RUBVZXUUUGYKAZ-IBGZPJMESA-N 2 2 311.473 4.065 20 0 DIADLP C[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1c1ccccc1 ZINC000339448862 525265533 /nfs/dbraw/zinc/26/55/33/525265533.db2.gz KIMKTKIDKIANOU-RTBURBONSA-N 2 2 323.465 4.217 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCc2occc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000190942302 525613777 /nfs/dbraw/zinc/61/37/77/525613777.db2.gz WRCFYWTZFISDKO-KSSFIOAISA-N 2 2 307.397 4.194 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000189826985 525897714 /nfs/dbraw/zinc/89/77/14/525897714.db2.gz MHJOMASXFYFGOV-WOJBJXKFSA-N 2 2 309.457 4.030 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](c1ccccc1)C(C)C)CCC2 ZINC000354479121 525938695 /nfs/dbraw/zinc/93/86/95/525938695.db2.gz ORBIFPHWPGXYJH-OALUTQOASA-N 2 2 311.473 4.098 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)ccc1Cl)CCC2 ZINC000338212661 525940418 /nfs/dbraw/zinc/94/04/18/525940418.db2.gz JYEPXZOXZCFHRV-LBPRGKRZSA-N 2 2 324.255 4.166 20 0 DIADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266728215 526046207 /nfs/dbraw/zinc/04/62/07/526046207.db2.gz IWHWKJQJPGUQSE-GFCCVEGCSA-N 2 2 323.362 4.369 20 0 DIADLP c1cn(C2CC[NH+](Cc3ccc(Oc4ccccc4)o3)CC2)c[nH+]1 ZINC000180425884 526529681 /nfs/dbraw/zinc/52/96/81/526529681.db2.gz ONPPYXKDQJTKMI-UHFFFAOYSA-N 2 2 323.396 4.106 20 0 DIADLP Cc1cccc2c1cc[nH+]c2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046541 721970875 /nfs/dbraw/zinc/97/08/75/721970875.db2.gz GVHDYEOAEBGTNB-SFHVURJKSA-N 2 2 323.484 4.388 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)s1 ZINC000035253683 1035644930 /nfs/dbraw/zinc/64/49/30/1035644930.db2.gz FPMPJHLZGYLXCL-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)n1C ZINC000668236373 1035645388 /nfs/dbraw/zinc/64/53/88/1035645388.db2.gz JBYXOSUZNBGWCG-LJQANCHMSA-N 2 2 309.457 4.236 20 0 DIADLP Cc1[nH+]cc(C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)n1C ZINC000668236373 1035645401 /nfs/dbraw/zinc/64/54/01/1035645401.db2.gz JBYXOSUZNBGWCG-LJQANCHMSA-N 2 2 309.457 4.236 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCC(C)(C)c2ccccc2)C1 ZINC001208674028 1035798216 /nfs/dbraw/zinc/79/82/16/1035798216.db2.gz ZIUCMBBQNXOTIG-LJQANCHMSA-N 2 2 324.468 4.211 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C1 ZINC001208674028 1035798233 /nfs/dbraw/zinc/79/82/33/1035798233.db2.gz ZIUCMBBQNXOTIG-LJQANCHMSA-N 2 2 324.468 4.211 20 0 DIADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000037320205 1036021646 /nfs/dbraw/zinc/02/16/46/1036021646.db2.gz IPBGKSIGEIWJPN-IAQYHMDHSA-N 2 2 312.244 4.319 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCC23CCCC3)c[nH+]1 ZINC000340175626 1036276379 /nfs/dbraw/zinc/27/63/79/1036276379.db2.gz YUUFHYOYVMDTGY-IBGZPJMESA-N 2 2 309.457 4.134 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000317225095 1036369288 /nfs/dbraw/zinc/36/92/88/1036369288.db2.gz HZXDDOGZNBDRSD-WBMJQRKESA-N 2 2 323.843 4.441 20 0 DIADLP C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340428726 1036597153 /nfs/dbraw/zinc/59/71/53/1036597153.db2.gz URJHEUJDLLYFRM-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000071088744 1037072975 /nfs/dbraw/zinc/07/29/75/1037072975.db2.gz KXIUSBBEHOCBIG-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013734613 1037134720 /nfs/dbraw/zinc/13/47/20/1037134720.db2.gz HTUYTRADVWOMQX-UHFFFAOYSA-N 2 2 320.864 4.422 20 0 DIADLP Cc1ccc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979295 1037393037 /nfs/dbraw/zinc/39/30/37/1037393037.db2.gz PADJRARPRAFMIY-VQIMIIECSA-N 2 2 309.457 4.021 20 0 DIADLP Cc1ccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979295 1037393054 /nfs/dbraw/zinc/39/30/54/1037393054.db2.gz PADJRARPRAFMIY-VQIMIIECSA-N 2 2 309.457 4.021 20 0 DIADLP c1ccc(N2CCC([NH2+][C@H]3CCCC34CCCCC4)CC2)[nH+]c1 ZINC000313042852 1037410932 /nfs/dbraw/zinc/41/09/32/1037410932.db2.gz MDDBXHFKEJOOTO-SFHVURJKSA-N 2 2 313.489 4.143 20 0 DIADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000604414346 1038411782 /nfs/dbraw/zinc/41/17/82/1038411782.db2.gz LPBBOVKEYLTHTD-UHFFFAOYSA-N 2 2 318.436 4.216 20 0 DIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCc4ccccc43)c2)c[nH+]1 ZINC000151352401 1038436855 /nfs/dbraw/zinc/43/68/55/1038436855.db2.gz SRTYSLRHRAQPEE-OAQYLSRUSA-N 2 2 317.436 4.099 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000684664001 1038481957 /nfs/dbraw/zinc/48/19/57/1038481957.db2.gz JKZQGEZJOBVVCZ-IRXDYDNUSA-N 2 2 322.443 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000684664001 1038481960 /nfs/dbraw/zinc/48/19/60/1038481960.db2.gz JKZQGEZJOBVVCZ-IRXDYDNUSA-N 2 2 322.443 4.065 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000342306265 1038525993 /nfs/dbraw/zinc/52/59/93/1038525993.db2.gz DCGRMNXWVSSGNS-OAQYLSRUSA-N 2 2 317.436 4.348 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1csc(Cl)c1 ZINC000230408315 1038565618 /nfs/dbraw/zinc/56/56/18/1038565618.db2.gz DXXVQWCRGBYVKU-WCQYABFASA-N 2 2 311.882 4.364 20 0 DIADLP c1cn(CC[N@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC001167550172 1038590338 /nfs/dbraw/zinc/59/03/38/1038590338.db2.gz RYURMXCMZYGOQJ-WOJBJXKFSA-N 2 2 315.505 4.487 20 0 DIADLP c1cn(CC[N@@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC001167550172 1038590343 /nfs/dbraw/zinc/59/03/43/1038590343.db2.gz RYURMXCMZYGOQJ-WOJBJXKFSA-N 2 2 315.505 4.487 20 0 DIADLP CC1(C)CCc2ccccc2[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000684772996 1038596826 /nfs/dbraw/zinc/59/68/26/1038596826.db2.gz UEYVXZRDYMOKBU-LJQANCHMSA-N 2 2 311.473 4.357 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000152245977 1038598262 /nfs/dbraw/zinc/59/82/62/1038598262.db2.gz DWJQOLOXXJWHGA-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000607168161 1038660474 /nfs/dbraw/zinc/66/04/74/1038660474.db2.gz LBMXNXXLWOUQER-GDBMZVCRSA-N 2 2 301.409 4.070 20 0 DIADLP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000607168163 1038660510 /nfs/dbraw/zinc/66/05/10/1038660510.db2.gz LBMXNXXLWOUQER-HOCLYGCPSA-N 2 2 301.409 4.070 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000607168164 1038660753 /nfs/dbraw/zinc/66/07/53/1038660753.db2.gz LBMXNXXLWOUQER-ZBFHGGJFSA-N 2 2 301.409 4.070 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000342571975 1038674859 /nfs/dbraw/zinc/67/48/59/1038674859.db2.gz FTSZYNURNJJTPS-FQEVSTJZSA-N 2 2 305.425 4.182 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000342571975 1038674864 /nfs/dbraw/zinc/67/48/64/1038674864.db2.gz FTSZYNURNJJTPS-FQEVSTJZSA-N 2 2 305.425 4.182 20 0 DIADLP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000608065661 1038763770 /nfs/dbraw/zinc/76/37/70/1038763770.db2.gz FHXJFGALECMVKL-RHSMWYFYSA-N 2 2 301.409 4.070 20 0 DIADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000608075436 1038765777 /nfs/dbraw/zinc/76/57/77/1038765777.db2.gz VXWDLPNNBVLMOS-HXUWFJFHSA-N 2 2 319.452 4.111 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608073115 1038766039 /nfs/dbraw/zinc/76/60/39/1038766039.db2.gz NKMDKRWYZSRIKV-FQEVSTJZSA-N 2 2 319.452 4.111 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)CCC2 ZINC000534328909 1039026062 /nfs/dbraw/zinc/02/60/62/1039026062.db2.gz SVJKVTQEKKUSOG-GXTWGEPZSA-N 2 2 321.827 4.212 20 0 DIADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000150831844 1039216891 /nfs/dbraw/zinc/21/68/91/1039216891.db2.gz SBDSTNFFFJHGOI-KDOFPFPSSA-N 2 2 318.486 4.076 20 0 DIADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000150831844 1039216907 /nfs/dbraw/zinc/21/69/07/1039216907.db2.gz SBDSTNFFFJHGOI-KDOFPFPSSA-N 2 2 318.486 4.076 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000539493004 1039274775 /nfs/dbraw/zinc/27/47/75/1039274775.db2.gz FKSKCZMUZRSYGQ-KRWDZBQOSA-N 2 2 321.424 4.416 20 0 DIADLP C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539656598 1039309702 /nfs/dbraw/zinc/30/97/02/1039309702.db2.gz DFUBXTYHVYGKES-OAHLLOKOSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000539838189 1039352123 /nfs/dbraw/zinc/35/21/23/1039352123.db2.gz DOELIMPZPUMYFU-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000539838189 1039352142 /nfs/dbraw/zinc/35/21/42/1039352142.db2.gz DOELIMPZPUMYFU-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838189 1039352161 /nfs/dbraw/zinc/35/21/61/1039352161.db2.gz DOELIMPZPUMYFU-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838189 1039352171 /nfs/dbraw/zinc/35/21/71/1039352171.db2.gz DOELIMPZPUMYFU-ZBFHGGJFSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000539838187 1039354519 /nfs/dbraw/zinc/35/45/19/1039354519.db2.gz DOELIMPZPUMYFU-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000539838187 1039354529 /nfs/dbraw/zinc/35/45/29/1039354529.db2.gz DOELIMPZPUMYFU-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838187 1039354544 /nfs/dbraw/zinc/35/45/44/1039354544.db2.gz DOELIMPZPUMYFU-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(C3CCCCC3)s2)CC[NH+]1C ZINC000539838187 1039354555 /nfs/dbraw/zinc/35/45/55/1039354555.db2.gz DOELIMPZPUMYFU-GOEBONIOSA-N 2 2 321.534 4.105 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000540286778 1039465634 /nfs/dbraw/zinc/46/56/34/1039465634.db2.gz NJBHFADDWURZGI-ZNMIVQPWSA-N 2 2 315.486 4.138 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000540286778 1039465646 /nfs/dbraw/zinc/46/56/46/1039465646.db2.gz NJBHFADDWURZGI-ZNMIVQPWSA-N 2 2 315.486 4.138 20 0 DIADLP Clc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000540406826 1039489651 /nfs/dbraw/zinc/48/96/51/1039489651.db2.gz NALLBVIERAEEMH-QGZVFWFLSA-N 2 2 303.837 4.058 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000151327534 1039543551 /nfs/dbraw/zinc/54/35/51/1039543551.db2.gz ADNXQMBZCQFJSU-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974149 1039694968 /nfs/dbraw/zinc/69/49/68/1039694968.db2.gz SGBFDTLXLKSODM-HOCLYGCPSA-N 2 2 322.412 4.005 20 0 DIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974149 1039694982 /nfs/dbraw/zinc/69/49/82/1039694982.db2.gz SGBFDTLXLKSODM-HOCLYGCPSA-N 2 2 322.412 4.005 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000628199604 1039726393 /nfs/dbraw/zinc/72/63/93/1039726393.db2.gz ZSKDJOIUKXUYFJ-PBHICJAKSA-N 2 2 310.432 4.093 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667695 1039815792 /nfs/dbraw/zinc/81/57/92/1039815792.db2.gz XUTGCUQEUWYAEO-QZTJIDSGSA-N 2 2 315.505 4.332 20 0 DIADLP C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151685667 1039859310 /nfs/dbraw/zinc/85/93/10/1039859310.db2.gz SLWUBXBROUAWAC-HZPDHXFCSA-N 2 2 309.413 4.137 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 ZINC000092767190 1039885966 /nfs/dbraw/zinc/88/59/66/1039885966.db2.gz WYCFWALIYHLXAZ-ZIAGYGMSSA-N 2 2 324.403 4.127 20 0 DIADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000492052796 1039909828 /nfs/dbraw/zinc/90/98/28/1039909828.db2.gz ZMCVHNGXHYZRMK-UHFFFAOYSA-N 2 2 309.388 4.036 20 0 DIADLP CCC(CC)([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000144743803 1039949593 /nfs/dbraw/zinc/94/95/93/1039949593.db2.gz WBZFBOKJZRXNLK-UHFFFAOYSA-N 2 2 305.853 4.232 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000685617339 1040161292 /nfs/dbraw/zinc/16/12/92/1040161292.db2.gz JWBBNCYIROJZKN-QRFRQXIXSA-N 2 2 323.484 4.286 20 0 DIADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000657979230 1040244596 /nfs/dbraw/zinc/24/45/96/1040244596.db2.gz HMFFZOJSVMUNDE-PZJWPPBQSA-N 2 2 323.484 4.064 20 0 DIADLP Cc1cccc2c1CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658338366 1040430662 /nfs/dbraw/zinc/43/06/62/1040430662.db2.gz LELUSIBKIGNSTQ-HXUWFJFHSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000569983118 1040596407 /nfs/dbraw/zinc/59/64/07/1040596407.db2.gz ZWQSHXQJKDTNGK-DLBZAZTESA-N 2 2 317.521 4.411 20 0 DIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000414074196 1040825221 /nfs/dbraw/zinc/82/52/21/1040825221.db2.gz NQWUCJSVNVVKSJ-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cccc[nH+]2)C1 ZINC000613524687 1041089575 /nfs/dbraw/zinc/08/95/75/1041089575.db2.gz RBAJWUOURIRMTR-IAGOWNOFSA-N 2 2 309.457 4.172 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134292555 1041139251 /nfs/dbraw/zinc/13/92/51/1041139251.db2.gz QTTQKBJOJZBNBE-OAHLLOKOSA-N 2 2 313.272 4.055 20 0 DIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cscc2Cl)cc1 ZINC000809738599 1041241069 /nfs/dbraw/zinc/24/10/69/1041241069.db2.gz AUPNDCFPVBWECF-UHFFFAOYSA-N 2 2 308.878 4.095 20 0 DIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cscc2Cl)cc1 ZINC000809738599 1041241081 /nfs/dbraw/zinc/24/10/81/1041241081.db2.gz AUPNDCFPVBWECF-UHFFFAOYSA-N 2 2 308.878 4.095 20 0 DIADLP CC(C)CCCC[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000893203269 1041553567 /nfs/dbraw/zinc/55/35/67/1041553567.db2.gz WPMOBICOLYNTNZ-KRWDZBQOSA-N 2 2 303.494 4.023 20 0 DIADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143508829 1041718828 /nfs/dbraw/zinc/71/88/28/1041718828.db2.gz UBJAQAHZPSABSV-UHFFFAOYSA-N 2 2 322.802 4.132 20 0 DIADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143508829 1041718835 /nfs/dbraw/zinc/71/88/35/1041718835.db2.gz UBJAQAHZPSABSV-UHFFFAOYSA-N 2 2 322.802 4.132 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc2cc(F)ccc2c[nH+]1 ZINC001167750682 1041743718 /nfs/dbraw/zinc/74/37/18/1041743718.db2.gz BUYSEPZCTOIVSQ-CQSZACIVSA-N 2 2 301.409 4.050 20 0 DIADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc2cc(F)ccc2c[nH+]1 ZINC001167750682 1041743723 /nfs/dbraw/zinc/74/37/23/1041743723.db2.gz BUYSEPZCTOIVSQ-CQSZACIVSA-N 2 2 301.409 4.050 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000815557533 1041962481 /nfs/dbraw/zinc/96/24/81/1041962481.db2.gz WZSAQMRRXLKQNK-MRXNPFEDSA-N 2 2 323.415 4.230 20 0 DIADLP CCC(CC)C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709636875 1042038675 /nfs/dbraw/zinc/03/86/75/1042038675.db2.gz OHRNGMQZTCIXBQ-FQEVSTJZSA-N 2 2 302.506 4.457 20 0 DIADLP CCC(CC)C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709636875 1042038680 /nfs/dbraw/zinc/03/86/80/1042038680.db2.gz OHRNGMQZTCIXBQ-FQEVSTJZSA-N 2 2 302.506 4.457 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1F ZINC000317064093 1042186890 /nfs/dbraw/zinc/18/68/90/1042186890.db2.gz VPHUWAQDRKBCIX-SJORKVTESA-N 2 2 303.425 4.178 20 0 DIADLP C[C@@H](CC[N@H+](C)Cc1cccs1)[NH+](C)Cc1cccs1 ZINC000431606432 1042230818 /nfs/dbraw/zinc/23/08/18/1042230818.db2.gz UODLMKWSPASQKW-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@@H](CC[N@@H+](C)Cc1cccs1)[NH+](C)Cc1cccs1 ZINC000431606432 1042230823 /nfs/dbraw/zinc/23/08/23/1042230823.db2.gz UODLMKWSPASQKW-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@@H](CC[NH+](C)Cc1cccs1)[N@H+](C)Cc1cccs1 ZINC000431606432 1042230833 /nfs/dbraw/zinc/23/08/33/1042230833.db2.gz UODLMKWSPASQKW-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@@H](CC[NH+](C)Cc1cccs1)[N@@H+](C)Cc1cccs1 ZINC000431606432 1042230840 /nfs/dbraw/zinc/23/08/40/1042230840.db2.gz UODLMKWSPASQKW-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP Fc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000122856090 1042338135 /nfs/dbraw/zinc/33/81/35/1042338135.db2.gz NLEHIBZBHMVHDN-OAQYLSRUSA-N 2 2 324.443 4.132 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1Cl ZINC000041119623 1042392916 /nfs/dbraw/zinc/39/29/16/1042392916.db2.gz FBCQYFZHHYPLSG-SECBINFHSA-N 2 2 318.635 4.194 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C)cc1 ZINC000152221999 1042434383 /nfs/dbraw/zinc/43/43/83/1042434383.db2.gz OBXSCVYPROOJTB-IBGZPJMESA-N 2 2 305.425 4.422 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC001204932165 1042495208 /nfs/dbraw/zinc/49/52/08/1042495208.db2.gz HNJKDOXCLGKCQA-HXUWFJFHSA-N 2 2 308.469 4.284 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC001204932165 1042495210 /nfs/dbraw/zinc/49/52/10/1042495210.db2.gz HNJKDOXCLGKCQA-HXUWFJFHSA-N 2 2 308.469 4.284 20 0 DIADLP c1cn(-c2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)c[nH+]1 ZINC000421330740 1042630619 /nfs/dbraw/zinc/63/06/19/1042630619.db2.gz CBNVWNIIYYYGEW-UHFFFAOYSA-N 2 2 303.409 4.040 20 0 DIADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccncc1Cl ZINC000421821832 1042653362 /nfs/dbraw/zinc/65/33/62/1042653362.db2.gz UKKZWNZBCCMNMI-CQSZACIVSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccncc1Cl ZINC000421821832 1042653365 /nfs/dbraw/zinc/65/33/65/1042653365.db2.gz UKKZWNZBCCMNMI-CQSZACIVSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000422765596 1042690110 /nfs/dbraw/zinc/69/01/10/1042690110.db2.gz QMBJLXHIAGVCPD-SLYNCCJLSA-N 2 2 323.484 4.071 20 0 DIADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000423246160 1042702771 /nfs/dbraw/zinc/70/27/71/1042702771.db2.gz PNTDIHPEZYFCKZ-SJKOYZFVSA-N 2 2 317.502 4.234 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423250368 1042703186 /nfs/dbraw/zinc/70/31/86/1042703186.db2.gz UVUMYCMICNGBCM-MLGOLLRUSA-N 2 2 308.347 4.056 20 0 DIADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000423246159 1042703673 /nfs/dbraw/zinc/70/36/73/1042703673.db2.gz PNTDIHPEZYFCKZ-SJCJKPOMSA-N 2 2 317.502 4.234 20 0 DIADLP c1c(CC[NH2+][C@@H](C2CCC2)C2CCCCC2)[nH+]c2n1CCCC2 ZINC000424273529 1042732130 /nfs/dbraw/zinc/73/21/30/1042732130.db2.gz XDXHCSJMGFCDFU-HXUWFJFHSA-N 2 2 315.505 4.101 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](C(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000514077282 1042769226 /nfs/dbraw/zinc/76/92/26/1042769226.db2.gz OJYLCTFSFKCXMJ-LJQANCHMSA-N 2 2 317.436 4.379 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000514077282 1042769231 /nfs/dbraw/zinc/76/92/31/1042769231.db2.gz OJYLCTFSFKCXMJ-LJQANCHMSA-N 2 2 317.436 4.379 20 0 DIADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1F ZINC000519038191 1042930925 /nfs/dbraw/zinc/93/09/25/1042930925.db2.gz ZAQWWZRPIZMVFR-YVEFUNNKSA-N 2 2 321.827 4.046 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000865814178 1043134799 /nfs/dbraw/zinc/13/47/99/1043134799.db2.gz BOPLQOHLGOGXDZ-UHFFFAOYSA-N 2 2 315.442 4.114 20 0 DIADLP C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866543590 1043222337 /nfs/dbraw/zinc/22/23/37/1043222337.db2.gz YKVJGDKTEOSLOP-ZDUSSCGKSA-N 2 2 307.388 4.204 20 0 DIADLP C[C@@H]([NH2+]Cc1coc2ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000121601842 1043250316 /nfs/dbraw/zinc/25/03/16/1043250316.db2.gz OXIBBAZVDVDCQW-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858094 1043309978 /nfs/dbraw/zinc/30/99/78/1043309978.db2.gz SCHUFUXBWHUKKM-GOEBONIOSA-N 2 2 315.486 4.049 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)s1 ZINC000427863786 1043311256 /nfs/dbraw/zinc/31/12/56/1043311256.db2.gz JLRICEBWNTZWHS-ZBFHGGJFSA-N 2 2 323.465 4.277 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000268763536 1043330189 /nfs/dbraw/zinc/33/01/89/1043330189.db2.gz MQCCHEIYASMCEX-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000268790022 1043331322 /nfs/dbraw/zinc/33/13/22/1043331322.db2.gz XOFNNKIBAHJOTG-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000268790024 1043332533 /nfs/dbraw/zinc/33/25/33/1043332533.db2.gz XOFNNKIBAHJOTG-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)ccc1F ZINC000269065829 1043355228 /nfs/dbraw/zinc/35/52/28/1043355228.db2.gz YXGLLJNLUYMMLJ-SFHVURJKSA-N 2 2 308.416 4.022 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2S1 ZINC000872022999 1043420686 /nfs/dbraw/zinc/42/06/86/1043420686.db2.gz AQUOIOQISYYCGL-MRXNPFEDSA-N 2 2 315.486 4.269 20 0 DIADLP CC1(C)C[C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2S1 ZINC000872022994 1043421980 /nfs/dbraw/zinc/42/19/80/1043421980.db2.gz AQUOIOQISYYCGL-INIZCTEOSA-N 2 2 315.486 4.269 20 0 DIADLP FC(F)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000442793771 1043423439 /nfs/dbraw/zinc/42/34/39/1043423439.db2.gz OXCCBIJYKWXIHJ-DAWZGUTISA-N 2 2 322.443 4.065 20 0 DIADLP FC(F)C1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000442793771 1043423447 /nfs/dbraw/zinc/42/34/47/1043423447.db2.gz OXCCBIJYKWXIHJ-DAWZGUTISA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000925590765 1043436577 /nfs/dbraw/zinc/43/65/77/1043436577.db2.gz KKWBBZHBXPAJSW-KXBFYZLASA-N 2 2 315.505 4.021 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CCC2)o1 ZINC000349445584 1043507221 /nfs/dbraw/zinc/50/72/21/1043507221.db2.gz FWSVHJPBXAZXIL-IBGZPJMESA-N 2 2 313.445 4.306 20 0 DIADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000717977013 1043535085 /nfs/dbraw/zinc/53/50/85/1043535085.db2.gz MJNPSMUXHGJHMA-AHRSYUTCSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000717977013 1043535092 /nfs/dbraw/zinc/53/50/92/1043535092.db2.gz MJNPSMUXHGJHMA-AHRSYUTCSA-N 2 2 300.490 4.065 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000443419391 1043547833 /nfs/dbraw/zinc/54/78/33/1043547833.db2.gz VIWJIEMVWHXPTN-CQSZACIVSA-N 2 2 323.362 4.117 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000443419391 1043547846 /nfs/dbraw/zinc/54/78/46/1043547846.db2.gz VIWJIEMVWHXPTN-CQSZACIVSA-N 2 2 323.362 4.117 20 0 DIADLP Cc1ccccc1C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000926538826 1043597538 /nfs/dbraw/zinc/59/75/38/1043597538.db2.gz CQGPXUONCTZQRJ-RAFMOHDBSA-N 2 2 324.468 4.087 20 0 DIADLP Cc1ccccc1C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000926538826 1043597545 /nfs/dbraw/zinc/59/75/45/1043597545.db2.gz CQGPXUONCTZQRJ-RAFMOHDBSA-N 2 2 324.468 4.087 20 0 DIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573321 1043617711 /nfs/dbraw/zinc/61/77/11/1043617711.db2.gz LAANULRKHVORKO-APWZRJJASA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573321 1043617719 /nfs/dbraw/zinc/61/77/19/1043617719.db2.gz LAANULRKHVORKO-APWZRJJASA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573321 1043617722 /nfs/dbraw/zinc/61/77/22/1043617722.db2.gz LAANULRKHVORKO-APWZRJJASA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000353573321 1043617726 /nfs/dbraw/zinc/61/77/26/1043617726.db2.gz LAANULRKHVORKO-APWZRJJASA-N 2 2 312.457 4.073 20 0 DIADLP Clc1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353633041 1043627090 /nfs/dbraw/zinc/62/70/90/1043627090.db2.gz VPDXCDCJERZHCL-DOTOQJQBSA-N 2 2 315.848 4.051 20 0 DIADLP CC(C)CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000558920840 1043637738 /nfs/dbraw/zinc/63/77/38/1043637738.db2.gz BSPFOCYPGIUEMZ-FQEVSTJZSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@@H]1CC([NH2+]COc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024433 1043643545 /nfs/dbraw/zinc/64/35/45/1043643545.db2.gz GLKWPCZYHNDHMX-QZTJIDSGSA-N 2 2 324.468 4.054 20 0 DIADLP CC(C)C[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157402 1043673734 /nfs/dbraw/zinc/67/37/34/1043673734.db2.gz XGBKUUHIGTWSRF-RTBURBONSA-N 2 2 311.473 4.419 20 0 DIADLP CC(C)C[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157402 1043673737 /nfs/dbraw/zinc/67/37/37/1043673737.db2.gz XGBKUUHIGTWSRF-RTBURBONSA-N 2 2 311.473 4.419 20 0 DIADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000033968127 1043701396 /nfs/dbraw/zinc/70/13/96/1043701396.db2.gz USOXRKJPKGGQRO-UHFFFAOYSA-N 2 2 314.820 4.285 20 0 DIADLP CCC1(CC)CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000474426165 1043775875 /nfs/dbraw/zinc/77/58/75/1043775875.db2.gz KELSBYGYHZFIGG-UHFFFAOYSA-N 2 2 315.505 4.389 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000474480157 1043797825 /nfs/dbraw/zinc/79/78/25/1043797825.db2.gz ZHNYZIYYXNQAOV-VQTJNVASSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCCc3ccccc31)CCC2 ZINC000356614531 1043855250 /nfs/dbraw/zinc/85/52/50/1043855250.db2.gz AEYDWZYJRXGTSN-HKUYNNGSSA-N 2 2 309.457 4.126 20 0 DIADLP Cc1[nH]c(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)c(C)[nH+]1 ZINC000930204776 1043894523 /nfs/dbraw/zinc/89/45/23/1043894523.db2.gz OQCUIXJMVCZWIX-INIZCTEOSA-N 2 2 303.425 4.433 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC000880569653 1044048593 /nfs/dbraw/zinc/04/85/93/1044048593.db2.gz NNOOAHPEDMDDMG-FQEVSTJZSA-N 2 2 305.425 4.031 20 0 DIADLP c1cn(C[C@@H]([NH2+]Cc2ccccc2C2CC2)c2ccccc2)c[nH+]1 ZINC000880569667 1044049420 /nfs/dbraw/zinc/04/94/20/1044049420.db2.gz NZDMIHCPBOENOZ-OAQYLSRUSA-N 2 2 317.436 4.292 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)c[nH+]1 ZINC000359377225 1044160838 /nfs/dbraw/zinc/16/08/38/1044160838.db2.gz YCRROYSUBSLKNU-FQEVSTJZSA-N 2 2 303.409 4.113 20 0 DIADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000359552873 1044177551 /nfs/dbraw/zinc/17/75/51/1044177551.db2.gz OUPJKYKZKAERRA-HXUWFJFHSA-N 2 2 321.424 4.416 20 0 DIADLP CC[C@@H](C[NH3+])Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000629742807 1044185300 /nfs/dbraw/zinc/18/53/00/1044185300.db2.gz YJNAMAFUSMODQC-QGZVFWFLSA-N 2 2 319.452 4.126 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000359661233 1044187293 /nfs/dbraw/zinc/18/72/93/1044187293.db2.gz NCOGXRJIGQMXCL-ZDUSSCGKSA-N 2 2 311.351 4.083 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1sccc1Cl ZINC000883199284 1044231455 /nfs/dbraw/zinc/23/14/55/1044231455.db2.gz AHMNHRCLLIAUHA-CQSZACIVSA-N 2 2 300.899 4.315 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360079861 1044233890 /nfs/dbraw/zinc/23/38/90/1044233890.db2.gz USACENLPPJSHKW-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP c1cn(C[C@H]([NH2+][C@@H]2CCCc3sccc32)c2ccccc2)c[nH+]1 ZINC000883386135 1044300205 /nfs/dbraw/zinc/30/02/05/1044300205.db2.gz AFFVNPRWKBSHAQ-MSOLQXFVSA-N 2 2 323.465 4.353 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386916 1044300899 /nfs/dbraw/zinc/30/08/99/1044300899.db2.gz OPDYEOKTOWHRAK-YLJYHZDGSA-N 2 2 305.425 4.284 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883398101 1044302692 /nfs/dbraw/zinc/30/26/92/1044302692.db2.gz CWIIEJZZEAEUPS-AYOQOUSVSA-N 2 2 321.424 4.131 20 0 DIADLP Cc1scc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000883397587 1044304217 /nfs/dbraw/zinc/30/42/17/1044304217.db2.gz QCACDXSZPSOWAV-GOSISDBHSA-N 2 2 311.454 4.093 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388331 1044304426 /nfs/dbraw/zinc/30/44/26/1044304426.db2.gz SBPGRXMUEKSIRG-UZLBHIALSA-N 2 2 323.415 4.423 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001204001606 1044354378 /nfs/dbraw/zinc/35/43/78/1044354378.db2.gz AASLXTUJNOVBRW-NTCAYCPXSA-N 2 2 306.881 4.065 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001204001606 1044354388 /nfs/dbraw/zinc/35/43/88/1044354388.db2.gz AASLXTUJNOVBRW-NTCAYCPXSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C2CC2)c1 ZINC000293948712 1044356736 /nfs/dbraw/zinc/35/67/36/1044356736.db2.gz ZBNGBRMRAHQZAI-MRXNPFEDSA-N 2 2 321.468 4.279 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CCCCC23CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168061460 1044364643 /nfs/dbraw/zinc/36/46/43/1044364643.db2.gz IMBVEHJJECFBSY-OPVJXMOQSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CCCCC23CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061460 1044364659 /nfs/dbraw/zinc/36/46/59/1044364659.db2.gz IMBVEHJJECFBSY-OPVJXMOQSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+]2CCCCC23CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061460 1044364676 /nfs/dbraw/zinc/36/46/76/1044364676.db2.gz IMBVEHJJECFBSY-OPVJXMOQSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+]2CCCCC23CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061460 1044364690 /nfs/dbraw/zinc/36/46/90/1044364690.db2.gz IMBVEHJJECFBSY-OPVJXMOQSA-N 2 2 312.501 4.447 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532467 1044389105 /nfs/dbraw/zinc/38/91/05/1044389105.db2.gz FPGUWXWTVVENID-WMZOPIPTSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532467 1044389116 /nfs/dbraw/zinc/38/91/16/1044389116.db2.gz FPGUWXWTVVENID-WMZOPIPTSA-N 2 2 316.489 4.168 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000361484402 1044407981 /nfs/dbraw/zinc/40/79/81/1044407981.db2.gz JDLOBDYSHFPIII-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCc4sccc43)c2)c[nH+]1 ZINC000361498048 1044410537 /nfs/dbraw/zinc/41/05/37/1044410537.db2.gz RQZHOOJYBUTKOM-QGZVFWFLSA-N 2 2 309.438 4.101 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C)c3ccccc31)CCC2 ZINC000361664747 1044430218 /nfs/dbraw/zinc/43/02/18/1044430218.db2.gz PHTRBXFNWDRFPY-URLQWDBASA-N 2 2 309.457 4.297 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)CCC2 ZINC000361664803 1044430433 /nfs/dbraw/zinc/43/04/33/1044430433.db2.gz QCNBCIYZIHOKPD-OCCSQVGLSA-N 2 2 321.827 4.212 20 0 DIADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000361712448 1044433656 /nfs/dbraw/zinc/43/36/56/1044433656.db2.gz RBNAFPSPFYSUSP-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000361712448 1044433660 /nfs/dbraw/zinc/43/36/60/1044433660.db2.gz RBNAFPSPFYSUSP-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000361714477 1044435048 /nfs/dbraw/zinc/43/50/48/1044435048.db2.gz QQQSJKNKMHYCND-WBVHZDCISA-N 2 2 323.440 4.446 20 0 DIADLP CCSCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859173 1044454137 /nfs/dbraw/zinc/45/41/37/1044454137.db2.gz ATTXWYDPDNNLAH-INIZCTEOSA-N 2 2 317.502 4.144 20 0 DIADLP CCSCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859173 1044454143 /nfs/dbraw/zinc/45/41/43/1044454143.db2.gz ATTXWYDPDNNLAH-INIZCTEOSA-N 2 2 317.502 4.144 20 0 DIADLP CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000567100089 1044541829 /nfs/dbraw/zinc/54/18/29/1044541829.db2.gz PTIPBVMDSZLQBU-PXNSSMCTSA-N 2 2 311.473 4.380 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000295592064 1044544200 /nfs/dbraw/zinc/54/42/00/1044544200.db2.gz FGBMYDSFFWTGQD-CVEARBPZSA-N 2 2 303.494 4.021 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000295698419 1044552244 /nfs/dbraw/zinc/55/22/44/1044552244.db2.gz MDNYLEGYNRQVGK-YZLZLFLDSA-N 2 2 315.505 4.021 20 0 DIADLP Cc1[nH]c(C2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)[nH+]c1C ZINC000884707797 1044552072 /nfs/dbraw/zinc/55/20/72/1044552072.db2.gz ZONXUFVLUILACA-UHFFFAOYSA-N 2 2 324.403 4.098 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000568334046 1044616780 /nfs/dbraw/zinc/61/67/80/1044616780.db2.gz QTMCOKAPUWAWCF-LIRRHRJNSA-N 2 2 309.413 4.000 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCCC1 ZINC000568496959 1044630662 /nfs/dbraw/zinc/63/06/62/1044630662.db2.gz PKEPGWQKVLVRFF-FQEVSTJZSA-N 2 2 311.473 4.380 20 0 DIADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000568735730 1044646063 /nfs/dbraw/zinc/64/60/63/1044646063.db2.gz CEAKKJSMMWNTBX-YJBOKZPZSA-N 2 2 303.494 4.242 20 0 DIADLP Cc1cc(C)cc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000568716592 1044646480 /nfs/dbraw/zinc/64/64/80/1044646480.db2.gz JFCICCSJSNGFRP-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1cc(C)cc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000568716592 1044646486 /nfs/dbraw/zinc/64/64/86/1044646486.db2.gz JFCICCSJSNGFRP-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000569013755 1044666081 /nfs/dbraw/zinc/66/60/81/1044666081.db2.gz NHPJRUREBHJMNG-XLIONFOSSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000569013755 1044666087 /nfs/dbraw/zinc/66/60/87/1044666087.db2.gz NHPJRUREBHJMNG-XLIONFOSSA-N 2 2 324.443 4.240 20 0 DIADLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886666532 1044676084 /nfs/dbraw/zinc/67/60/84/1044676084.db2.gz UUVNTOFNFATESI-CYBMUJFWSA-N 2 2 319.399 4.245 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)CCC2 ZINC000366207817 1044713051 /nfs/dbraw/zinc/71/30/51/1044713051.db2.gz DGTNUCRVKZCUIQ-NEPJUHHUSA-N 2 2 309.866 4.135 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368100560 1044765980 /nfs/dbraw/zinc/76/59/80/1044765980.db2.gz HXMDTERSMPIQLF-HIFRSBDPSA-N 2 2 315.486 4.118 20 0 DIADLP C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445759847 1044813236 /nfs/dbraw/zinc/81/32/36/1044813236.db2.gz OHFHLZIIPIDRCX-UONOGXRCSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445759847 1044813251 /nfs/dbraw/zinc/81/32/51/1044813251.db2.gz OHFHLZIIPIDRCX-UONOGXRCSA-N 2 2 324.871 4.222 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)cn1 ZINC000126368950 1044814994 /nfs/dbraw/zinc/81/49/94/1044814994.db2.gz OLRQPPWQQCQGLV-INIZCTEOSA-N 2 2 320.440 4.043 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3ccccc3)o1)CCC2 ZINC000371069046 1044860791 /nfs/dbraw/zinc/86/07/91/1044860791.db2.gz KVLBJBWENFCMTQ-KRWDZBQOSA-N 2 2 321.424 4.119 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000524591911 1044881374 /nfs/dbraw/zinc/88/13/74/1044881374.db2.gz WVODRNHKKGXUNA-LJQANCHMSA-N 2 2 304.453 4.227 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC23CCC3)c(C)c1 ZINC000337496830 1044909624 /nfs/dbraw/zinc/90/96/24/1044909624.db2.gz YRQBNFHIYWXMBU-OALUTQOASA-N 2 2 309.457 4.164 20 0 DIADLP CC(C)(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000573647319 1044914720 /nfs/dbraw/zinc/91/47/20/1044914720.db2.gz KCUYJPYMADNFNJ-IFXJQAMLSA-N 2 2 323.440 4.390 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337619189 1044927107 /nfs/dbraw/zinc/92/71/07/1044927107.db2.gz DFWIBVZTBUWIJJ-HNNXBMFYSA-N 2 2 309.388 4.204 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337619189 1044927126 /nfs/dbraw/zinc/92/71/26/1044927126.db2.gz DFWIBVZTBUWIJJ-HNNXBMFYSA-N 2 2 309.388 4.204 20 0 DIADLP C[NH+]1CCC([N@H+](C/C=C\c2ccccc2)Cc2ccccc2)CC1 ZINC000574320494 1044948405 /nfs/dbraw/zinc/94/84/05/1044948405.db2.gz XEIPEFGQJSPNKZ-JYRVWZFOSA-N 2 2 320.480 4.296 20 0 DIADLP C[NH+]1CCC([N@@H+](C/C=C\c2ccccc2)Cc2ccccc2)CC1 ZINC000574320494 1044948422 /nfs/dbraw/zinc/94/84/22/1044948422.db2.gz XEIPEFGQJSPNKZ-JYRVWZFOSA-N 2 2 320.480 4.296 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373524628 1044984938 /nfs/dbraw/zinc/98/49/38/1044984938.db2.gz UBZYDZAFBIWPHA-IUDNXUCKSA-N 2 2 321.534 4.242 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000525283252 1045027826 /nfs/dbraw/zinc/02/78/26/1045027826.db2.gz UZYOJGURUPOKQO-KDOFPFPSSA-N 2 2 310.432 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000525283252 1045027837 /nfs/dbraw/zinc/02/78/37/1045027837.db2.gz UZYOJGURUPOKQO-KDOFPFPSSA-N 2 2 310.432 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000525283251 1045028433 /nfs/dbraw/zinc/02/84/33/1045028433.db2.gz UZYOJGURUPOKQO-KBXCAEBGSA-N 2 2 310.432 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000525283251 1045028448 /nfs/dbraw/zinc/02/84/48/1045028448.db2.gz UZYOJGURUPOKQO-KBXCAEBGSA-N 2 2 310.432 4.080 20 0 DIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202023 1045035985 /nfs/dbraw/zinc/03/59/85/1045035985.db2.gz YPFLFLOUNKWGDB-AWEZNQCLSA-N 2 2 322.412 4.005 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CSc3ccccc32)C[C@@H]1c1ccccc1 ZINC000576721287 1045075885 /nfs/dbraw/zinc/07/58/85/1045075885.db2.gz CTRCPTMHEZSRRB-YTQUADARSA-N 2 2 324.493 4.259 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CSc3ccccc32)C[C@@H]1c1ccccc1 ZINC000576721287 1045075898 /nfs/dbraw/zinc/07/58/98/1045075898.db2.gz CTRCPTMHEZSRRB-YTQUADARSA-N 2 2 324.493 4.259 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccsc2)s1 ZINC000577326334 1045115672 /nfs/dbraw/zinc/11/56/72/1045115672.db2.gz LIKMOZCHOXZTAD-UHFFFAOYSA-N 2 2 323.531 4.035 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccsc2)s1 ZINC000577326334 1045115684 /nfs/dbraw/zinc/11/56/84/1045115684.db2.gz LIKMOZCHOXZTAD-UHFFFAOYSA-N 2 2 323.531 4.035 20 0 DIADLP Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000577326702 1045115824 /nfs/dbraw/zinc/11/58/24/1045115824.db2.gz PKDGPUXGTQJKIP-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000577326702 1045115832 /nfs/dbraw/zinc/11/58/32/1045115832.db2.gz PKDGPUXGTQJKIP-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP CC(C)c1[nH+]c(CNc2cc(C3CC3)cc[nH+]2)c2ccccn21 ZINC000577758639 1045168756 /nfs/dbraw/zinc/16/87/56/1045168756.db2.gz JGHOERIFJYXGRK-UHFFFAOYSA-N 2 2 306.413 4.342 20 0 DIADLP Clc1cccc2c(NC3CC([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000557662629 1045214520 /nfs/dbraw/zinc/21/45/20/1045214520.db2.gz NYHGEVYFDZZJOI-UHFFFAOYSA-N 2 2 315.848 4.317 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccns1 ZINC000925081138 1045223654 /nfs/dbraw/zinc/22/36/54/1045223654.db2.gz YIXSUAJPIRNPKP-CABCVRRESA-N 2 2 315.486 4.019 20 0 DIADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](c3ccccc3)CC1)CCC2 ZINC000527666136 1045246277 /nfs/dbraw/zinc/24/62/77/1045246277.db2.gz MGZAHOLGJBYXMB-HSALFYBXSA-N 2 2 323.484 4.467 20 0 DIADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC[C@@H](c3ccccc3)CC1)CCC2 ZINC000527666132 1045246585 /nfs/dbraw/zinc/24/65/85/1045246585.db2.gz MGZAHOLGJBYXMB-AQNXPRMDSA-N 2 2 323.484 4.467 20 0 DIADLP Cc1cccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)C)c1 ZINC000527852148 1045268480 /nfs/dbraw/zinc/26/84/80/1045268480.db2.gz RHEKPGQBEZBJKZ-OAQYLSRUSA-N 2 2 323.484 4.346 20 0 DIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cccc3ccoc31)C2 ZINC000449113553 1045351032 /nfs/dbraw/zinc/35/10/32/1045351032.db2.gz GULIYRQOYNNVQB-INIZCTEOSA-N 2 2 323.440 4.031 20 0 DIADLP Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1F ZINC000449173697 1045354726 /nfs/dbraw/zinc/35/47/26/1045354726.db2.gz GIRSMCMXKKKMFA-UHFFFAOYSA-N 2 2 304.453 4.021 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1coc3ccccc13)CCC2 ZINC000449166041 1045356879 /nfs/dbraw/zinc/35/68/79/1045356879.db2.gz BLGBZGBZQCXJLM-GDBMZVCRSA-N 2 2 323.440 4.036 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528566 1045488713 /nfs/dbraw/zinc/48/87/13/1045488713.db2.gz KCQOHGOXNSRRFG-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528566 1045488715 /nfs/dbraw/zinc/48/87/15/1045488715.db2.gz KCQOHGOXNSRRFG-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528566 1045488717 /nfs/dbraw/zinc/48/87/17/1045488717.db2.gz KCQOHGOXNSRRFG-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)C[C@@H]1C ZINC000529528566 1045488718 /nfs/dbraw/zinc/48/87/18/1045488718.db2.gz KCQOHGOXNSRRFG-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccsc2C(F)(F)F)CC1 ZINC000529522321 1045489186 /nfs/dbraw/zinc/48/91/86/1045489186.db2.gz VABXCVUYTJFGTR-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccsc2C(F)(F)F)CC1 ZINC000529522321 1045489189 /nfs/dbraw/zinc/48/91/89/1045489189.db2.gz VABXCVUYTJFGTR-UHFFFAOYSA-N 2 2 320.424 4.072 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000629520345 1045676622 /nfs/dbraw/zinc/67/66/22/1045676622.db2.gz JRMQAYQEIHGKBE-WMLDXEAASA-N 2 2 304.503 4.122 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000629520343 1045676642 /nfs/dbraw/zinc/67/66/42/1045676642.db2.gz JRMQAYQEIHGKBE-PBHICJAKSA-N 2 2 304.503 4.122 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000530905335 1045749156 /nfs/dbraw/zinc/74/91/56/1045749156.db2.gz KPHIAWVYWQXKRR-QWHCGFSZSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)Cc2sc3ccccc3c2Cl)CC[N@H+]1C ZINC000530905335 1045749166 /nfs/dbraw/zinc/74/91/66/1045749166.db2.gz KPHIAWVYWQXKRR-QWHCGFSZSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905335 1045749176 /nfs/dbraw/zinc/74/91/76/1045749176.db2.gz KPHIAWVYWQXKRR-QWHCGFSZSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH+]1C ZINC000530905335 1045749187 /nfs/dbraw/zinc/74/91/87/1045749187.db2.gz KPHIAWVYWQXKRR-QWHCGFSZSA-N 2 2 322.905 4.469 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2sccc21 ZINC000453084166 1045930105 /nfs/dbraw/zinc/93/01/05/1045930105.db2.gz NTDPTSLFYVWBBV-BBRMVZONSA-N 2 2 315.486 4.052 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H](C)c3ccsc31)CCC2 ZINC000453126014 1045946534 /nfs/dbraw/zinc/94/65/34/1045946534.db2.gz UEYPRMYNFFSMLE-INWMFGNUSA-N 2 2 315.486 4.359 20 0 DIADLP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000902458541 1046000378 /nfs/dbraw/zinc/00/03/78/1046000378.db2.gz VXCWTOFAEIBNHR-LMMKCTJWSA-N 2 2 309.457 4.212 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)s1 ZINC000902730177 1046052719 /nfs/dbraw/zinc/05/27/19/1046052719.db2.gz AAVXAJBKDWDWOE-JTQLQIEISA-N 2 2 318.408 4.044 20 0 DIADLP Cc1ccc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C2CCC2)o1 ZINC000756473593 1046086204 /nfs/dbraw/zinc/08/62/04/1046086204.db2.gz DCOKNPPUQTYIQK-FQEVSTJZSA-N 2 2 321.424 4.405 20 0 DIADLP C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902889363 1046102248 /nfs/dbraw/zinc/10/22/48/1046102248.db2.gz IFYKMSLQJGQOCV-YWZLYKJASA-N 2 2 318.424 4.069 20 0 DIADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206626 1046108921 /nfs/dbraw/zinc/10/89/21/1046108921.db2.gz RXLCYHYXKBYJBV-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000532194764 1046110559 /nfs/dbraw/zinc/11/05/59/1046110559.db2.gz SLYXJERKFWGYCZ-AWEZNQCLSA-N 2 2 321.852 4.066 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000903020226 1046142622 /nfs/dbraw/zinc/14/26/22/1046142622.db2.gz WTIBECZKBUNKCD-OLZOCXBDSA-N 2 2 311.351 4.111 20 0 DIADLP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1cccc(C)c1 ZINC000903379992 1046262104 /nfs/dbraw/zinc/26/21/04/1046262104.db2.gz JLTPVCYWUYTHLH-UXHICEINSA-N 2 2 311.473 4.124 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccnc1 ZINC000903383720 1046263651 /nfs/dbraw/zinc/26/36/51/1046263651.db2.gz NYGVMZWAALPLHT-NHCUHLMSSA-N 2 2 323.484 4.132 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccnc1 ZINC000903383722 1046263817 /nfs/dbraw/zinc/26/38/17/1046263817.db2.gz NYGVMZWAALPLHT-SFTDATJTSA-N 2 2 323.484 4.132 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccn1 ZINC000638289770 1046307828 /nfs/dbraw/zinc/30/78/28/1046307828.db2.gz ALKBDSLKTUYQCA-CDXJDZJCSA-N 2 2 321.468 4.100 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccn1 ZINC000638289770 1046307843 /nfs/dbraw/zinc/30/78/43/1046307843.db2.gz ALKBDSLKTUYQCA-CDXJDZJCSA-N 2 2 321.468 4.100 20 0 DIADLP C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903884503 1046334943 /nfs/dbraw/zinc/33/49/43/1046334943.db2.gz BDTQRGULLPVXDP-UKRRQHHQSA-N 2 2 324.440 4.294 20 0 DIADLP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903884503 1046334956 /nfs/dbraw/zinc/33/49/56/1046334956.db2.gz BDTQRGULLPVXDP-UKRRQHHQSA-N 2 2 324.440 4.294 20 0 DIADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)CC(F)F ZINC000903922483 1046341434 /nfs/dbraw/zinc/34/14/34/1046341434.db2.gz XWPYTZUDPGFGCZ-WBVHZDCISA-N 2 2 324.802 4.002 20 0 DIADLP CC[N@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC001139056754 1046373230 /nfs/dbraw/zinc/37/32/30/1046373230.db2.gz UUUMJBCQEMWLGQ-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP CC[N@@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC001139056754 1046373237 /nfs/dbraw/zinc/37/32/37/1046373237.db2.gz UUUMJBCQEMWLGQ-UHFFFAOYSA-N 2 2 324.468 4.395 20 0 DIADLP Clc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000045106254 1046400827 /nfs/dbraw/zinc/40/08/27/1046400827.db2.gz IPJNYRBJQIJRLH-KRWDZBQOSA-N 2 2 303.837 4.058 20 0 DIADLP CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139363126 1046437942 /nfs/dbraw/zinc/43/79/42/1046437942.db2.gz XENNTQXELGWVSA-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139363126 1046437944 /nfs/dbraw/zinc/43/79/44/1046437944.db2.gz XENNTQXELGWVSA-UHFFFAOYSA-N 2 2 309.388 4.034 20 0 DIADLP C[C@@H](CC1CCCC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000676871519 1046441342 /nfs/dbraw/zinc/44/13/42/1046441342.db2.gz CPCAXOYGPNULAB-LPHOPBHVSA-N 2 2 311.473 4.262 20 0 DIADLP C[C@H](CC1CCCC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000676871518 1046441874 /nfs/dbraw/zinc/44/18/74/1046441874.db2.gz CPCAXOYGPNULAB-APWZRJJASA-N 2 2 311.473 4.262 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677240370 1046477685 /nfs/dbraw/zinc/47/76/85/1046477685.db2.gz HJQBFGFKUNMKMM-PCCBWWKXSA-N 2 2 324.443 4.132 20 0 DIADLP Fc1cccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677240370 1046477691 /nfs/dbraw/zinc/47/76/91/1046477691.db2.gz HJQBFGFKUNMKMM-PCCBWWKXSA-N 2 2 324.443 4.132 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001140021122 1046568965 /nfs/dbraw/zinc/56/89/65/1046568965.db2.gz HQWOYGQMECOORT-INIZCTEOSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001140021122 1046568980 /nfs/dbraw/zinc/56/89/80/1046568980.db2.gz HQWOYGQMECOORT-INIZCTEOSA-N 2 2 317.436 4.300 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001140026931 1046572157 /nfs/dbraw/zinc/57/21/57/1046572157.db2.gz QHGWZFQVCPOBQS-LJQANCHMSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001140026931 1046572168 /nfs/dbraw/zinc/57/21/68/1046572168.db2.gz QHGWZFQVCPOBQS-LJQANCHMSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001140026956 1046573287 /nfs/dbraw/zinc/57/32/87/1046573287.db2.gz RDLZVHAWMUQLIK-MRXNPFEDSA-N 2 2 317.436 4.128 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001140026956 1046573299 /nfs/dbraw/zinc/57/32/99/1046573299.db2.gz RDLZVHAWMUQLIK-MRXNPFEDSA-N 2 2 317.436 4.128 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(O)c1 ZINC000194893626 1046587586 /nfs/dbraw/zinc/58/75/86/1046587586.db2.gz FRPWUQFNVGEHBS-IRXDYDNUSA-N 2 2 324.468 4.268 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1Cl ZINC001203031319 1046684992 /nfs/dbraw/zinc/68/49/92/1046684992.db2.gz GRSMRLRKEPBDMC-UHFFFAOYSA-N 2 2 317.304 4.369 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+]CCC[N@H+](C)CC(C)C)c1Cl ZINC001203031319 1046684999 /nfs/dbraw/zinc/68/49/99/1046684999.db2.gz GRSMRLRKEPBDMC-UHFFFAOYSA-N 2 2 317.304 4.369 20 0 DIADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(F)cc1 ZINC000784534867 1046695595 /nfs/dbraw/zinc/69/55/95/1046695595.db2.gz QHEYSAVDJBAYQT-UHFFFAOYSA-N 2 2 315.417 4.098 20 0 DIADLP COC(C)(C)[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000645411218 1046789643 /nfs/dbraw/zinc/78/96/43/1046789643.db2.gz XSLLNHFBPLPSDS-IRXDYDNUSA-N 2 2 318.505 4.053 20 0 DIADLP Cc1c2cccc(Cl)c2sc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000646059414 1046851555 /nfs/dbraw/zinc/85/15/55/1046851555.db2.gz RXJWEHNQJHQOPC-UHFFFAOYSA-N 2 2 322.905 4.389 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000248849963 1046854387 /nfs/dbraw/zinc/85/43/87/1046854387.db2.gz IZZLCANLXMSFSJ-GPMSIDNRSA-N 2 2 315.505 4.021 20 0 DIADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)c[nH+]1 ZINC000679579927 1046876000 /nfs/dbraw/zinc/87/60/00/1046876000.db2.gz OPJLVJIHVYVSNB-INIZCTEOSA-N 2 2 323.396 4.106 20 0 DIADLP c1cn([C@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)c[nH+]1 ZINC000679579927 1046876019 /nfs/dbraw/zinc/87/60/19/1046876019.db2.gz OPJLVJIHVYVSNB-INIZCTEOSA-N 2 2 323.396 4.106 20 0 DIADLP COc1cccc([C@H]2CCCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807194 1046912294 /nfs/dbraw/zinc/91/22/94/1046912294.db2.gz QBWKCXMZHUFGFH-HXUWFJFHSA-N 2 2 321.424 4.299 20 0 DIADLP COc1cccc([C@H]2CCCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807194 1046912301 /nfs/dbraw/zinc/91/23/01/1046912301.db2.gz QBWKCXMZHUFGFH-HXUWFJFHSA-N 2 2 321.424 4.299 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000164471504 1046950596 /nfs/dbraw/zinc/95/05/96/1046950596.db2.gz GWFUDMRXRCRNKP-LBPRGKRZSA-N 2 2 314.395 4.019 20 0 DIADLP CCCCc1[nH]c(C[NH+]2CCC3(CCc4ccccc43)CC2)c[nH+]1 ZINC001141067385 1046995542 /nfs/dbraw/zinc/99/55/42/1046995542.db2.gz ACPKFFUHHZHTLA-UHFFFAOYSA-N 2 2 323.484 4.232 20 0 DIADLP COc1ccccc1[C@@H](C)[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244575 1047061442 /nfs/dbraw/zinc/06/14/42/1047061442.db2.gz QBNCJJDHJVEIJO-MRXNPFEDSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244575 1047061456 /nfs/dbraw/zinc/06/14/56/1047061456.db2.gz QBNCJJDHJVEIJO-MRXNPFEDSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000536853399 1047111757 /nfs/dbraw/zinc/11/17/57/1047111757.db2.gz QODQPFLHRXVODW-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1[nH+]ccn1Cc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cc1 ZINC000649437830 1047132599 /nfs/dbraw/zinc/13/25/99/1047132599.db2.gz GJLSRDMNVRRPFP-UHFFFAOYSA-N 2 2 323.415 4.108 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2cc(Cl)ccc2o1 ZINC000537294960 1047161434 /nfs/dbraw/zinc/16/14/34/1047161434.db2.gz FMMSGLPVBKMOIN-ZDUSSCGKSA-N 2 2 317.820 4.414 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)c1 ZINC000325404459 1047187368 /nfs/dbraw/zinc/18/73/68/1047187368.db2.gz IBJUKPQKFKDQTC-CZTZKLFOSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)c1 ZINC000325404459 1047187374 /nfs/dbraw/zinc/18/73/74/1047187374.db2.gz IBJUKPQKFKDQTC-CZTZKLFOSA-N 2 2 322.496 4.465 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001116921027 1047190147 /nfs/dbraw/zinc/19/01/47/1047190147.db2.gz SUGLKCVFJKBFOJ-RHSMWYFYSA-N 2 2 317.502 4.371 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682406166 1047192633 /nfs/dbraw/zinc/19/26/33/1047192633.db2.gz HAORTBZRGMWUEL-SXLOBPIMSA-N 2 2 323.484 4.286 20 0 DIADLP CCc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000682532640 1047203329 /nfs/dbraw/zinc/20/33/29/1047203329.db2.gz TXQXXKBPFZEOEU-INIZCTEOSA-N 2 2 305.425 4.286 20 0 DIADLP CC(C)[N@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001141593244 1047210380 /nfs/dbraw/zinc/21/03/80/1047210380.db2.gz MOPCGDNHVWWDDK-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001141593244 1047210383 /nfs/dbraw/zinc/21/03/83/1047210383.db2.gz MOPCGDNHVWWDDK-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000682732464 1047217360 /nfs/dbraw/zinc/21/73/60/1047217360.db2.gz IZVQQXLCMRFODK-GOEBONIOSA-N 2 2 302.453 4.053 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000682732464 1047217367 /nfs/dbraw/zinc/21/73/67/1047217367.db2.gz IZVQQXLCMRFODK-GOEBONIOSA-N 2 2 302.453 4.053 20 0 DIADLP CCCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001142354542 1047434284 /nfs/dbraw/zinc/43/42/84/1047434284.db2.gz SLBLUIKIGCEQTP-UHFFFAOYSA-N 2 2 310.441 4.078 20 0 DIADLP CC(C)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000842832852 1047506790 /nfs/dbraw/zinc/50/67/90/1047506790.db2.gz WMQYAPXCGWOLIT-HXUWFJFHSA-N 2 2 320.440 4.144 20 0 DIADLP Cc1cc(Cl)c(C)c(NCc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001156048129 1047697908 /nfs/dbraw/zinc/69/79/08/1047697908.db2.gz OTBLVUGAYCQEKA-UHFFFAOYSA-N 2 2 303.837 4.026 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000538720080 1047699255 /nfs/dbraw/zinc/69/92/55/1047699255.db2.gz FEJSJXRGJISVDD-HUUCEWRRSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000538720080 1047699259 /nfs/dbraw/zinc/69/92/59/1047699259.db2.gz FEJSJXRGJISVDD-HUUCEWRRSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720080 1047699263 /nfs/dbraw/zinc/69/92/63/1047699263.db2.gz FEJSJXRGJISVDD-HUUCEWRRSA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720080 1047699266 /nfs/dbraw/zinc/69/92/66/1047699266.db2.gz FEJSJXRGJISVDD-HUUCEWRRSA-N 2 2 316.420 4.000 20 0 DIADLP C[NH+]1CCC2(CCN(c3cc(-c4ccccc4)cc[nH+]3)CC2)CC1 ZINC001156563981 1047718274 /nfs/dbraw/zinc/71/82/74/1047718274.db2.gz REISVSRGVBUUJM-UHFFFAOYSA-N 2 2 321.468 4.061 20 0 DIADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001206660835 1047718424 /nfs/dbraw/zinc/71/84/24/1047718424.db2.gz KKAMNQOEDRFRKB-SJORKVTESA-N 2 2 314.473 4.074 20 0 DIADLP CCSc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158271479 1047773017 /nfs/dbraw/zinc/77/30/17/1047773017.db2.gz HRMIXVRVNPVRNA-CXAGYDPISA-N 2 2 307.507 4.149 20 0 DIADLP CC(C)c1ccc(N(C2CCCC2)C2CC[NH+](C)CC2)[nH+]c1 ZINC001158488374 1047786520 /nfs/dbraw/zinc/78/65/20/1047786520.db2.gz VUXKKQKXYPDERU-UHFFFAOYSA-N 2 2 301.478 4.048 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(OC(C)C)cc[nH+]1 ZINC001158738977 1047797215 /nfs/dbraw/zinc/79/72/15/1047797215.db2.gz UGIKKQPDMKQJJB-KRWDZBQOSA-N 2 2 311.429 4.109 20 0 DIADLP Clc1ccc2[nH+]ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)c2c1 ZINC001159153569 1047816170 /nfs/dbraw/zinc/81/61/70/1047816170.db2.gz CLJWCCRTECQKQM-QGZVFWFLSA-N 2 2 323.827 4.478 20 0 DIADLP c1c[nH+]c(N2CCCCC2)c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001159167731 1047817029 /nfs/dbraw/zinc/81/70/29/1047817029.db2.gz PUGDXOIETPZXOG-GOSISDBHSA-N 2 2 322.456 4.240 20 0 DIADLP CC(C)([NH3+])c1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001159364727 1047835138 /nfs/dbraw/zinc/83/51/38/1047835138.db2.gz VILDVMCFCXJYTQ-UHFFFAOYSA-N 2 2 310.445 4.009 20 0 DIADLP Cc1c[nH+]c(C)c(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)c1 ZINC001159389689 1047838731 /nfs/dbraw/zinc/83/87/31/1047838731.db2.gz LTOHGDLLFVXWPW-DAXOMENPSA-N 2 2 310.445 4.068 20 0 DIADLP Cc1c[nH+]c(C)c(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001159389694 1047839190 /nfs/dbraw/zinc/83/91/90/1047839190.db2.gz LTOHGDLLFVXWPW-WQVCFCJDSA-N 2 2 310.445 4.068 20 0 DIADLP c1cn(-c2ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC001159430633 1047843524 /nfs/dbraw/zinc/84/35/24/1047843524.db2.gz SXURASAZEBLIHF-UHFFFAOYSA-N 2 2 318.424 4.083 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918983 1047855388 /nfs/dbraw/zinc/85/53/88/1047855388.db2.gz UMQYGKGTQXQPSQ-BEFAXECRSA-N 2 2 320.908 4.268 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182918983 1047855392 /nfs/dbraw/zinc/85/53/92/1047855392.db2.gz UMQYGKGTQXQPSQ-BEFAXECRSA-N 2 2 320.908 4.268 20 0 DIADLP c1cc2c(c(Nc3ccc([NH+]4CCCCC4)cc3)c1)CC[NH2+]C2 ZINC001159539353 1047861958 /nfs/dbraw/zinc/86/19/58/1047861958.db2.gz DTMKHKNUMLTEAF-UHFFFAOYSA-N 2 2 307.441 4.066 20 0 DIADLP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cc(F)ccc1F ZINC000479386017 1047880970 /nfs/dbraw/zinc/88/09/70/1047880970.db2.gz GZWYOPCGKDFIRE-SFHVURJKSA-N 2 2 310.432 4.124 20 0 DIADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816012 1047895719 /nfs/dbraw/zinc/89/57/19/1047895719.db2.gz IXQSODVFKILZEF-OLZOCXBDSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816012 1047895732 /nfs/dbraw/zinc/89/57/32/1047895732.db2.gz IXQSODVFKILZEF-OLZOCXBDSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816014 1047896236 /nfs/dbraw/zinc/89/62/36/1047896236.db2.gz IXQSODVFKILZEF-QWHCGFSZSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816014 1047896243 /nfs/dbraw/zinc/89/62/43/1047896243.db2.gz IXQSODVFKILZEF-QWHCGFSZSA-N 2 2 306.500 4.036 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC001183238754 1047904951 /nfs/dbraw/zinc/90/49/51/1047904951.db2.gz OEXCRGXDLAVZKN-ZJOUEHCJSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC001183238754 1047904965 /nfs/dbraw/zinc/90/49/65/1047904965.db2.gz OEXCRGXDLAVZKN-ZJOUEHCJSA-N 2 2 312.501 4.004 20 0 DIADLP Cc1ccc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCCC2)o1 ZINC000479525742 1047914789 /nfs/dbraw/zinc/91/47/89/1047914789.db2.gz KRSFPEJQTOFGDS-AFMYVXGZSA-N 2 2 316.489 4.426 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205265686 1047918548 /nfs/dbraw/zinc/91/85/48/1047918548.db2.gz QRNDLKZSSBKFJX-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205265686 1047918554 /nfs/dbraw/zinc/91/85/54/1047918554.db2.gz QRNDLKZSSBKFJX-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP CN(c1ccc(Nc2cccc3c2C[NH2+]C3)c[nH+]1)C1CCCCC1 ZINC001159767142 1047919185 /nfs/dbraw/zinc/91/91/85/1047919185.db2.gz LFTRGMTYZMNYFU-UHFFFAOYSA-N 2 2 322.456 4.197 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000479544945 1047923329 /nfs/dbraw/zinc/92/33/29/1047923329.db2.gz SPFBTKNKQGAVSV-XLIONFOSSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159953504 1047957451 /nfs/dbraw/zinc/95/74/51/1047957451.db2.gz LDDQDQLLNZOCJN-IBGZPJMESA-N 2 2 323.440 4.142 20 0 DIADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(C(C)C)[nH+]c(C)n3)c2c1 ZINC001160004225 1047965461 /nfs/dbraw/zinc/96/54/61/1047965461.db2.gz MANTYUDPUPXLKW-AWEZNQCLSA-N 2 2 322.456 4.050 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3CC3CCC3)cc2)c[nH+]1 ZINC001174781643 1047972355 /nfs/dbraw/zinc/97/23/55/1047972355.db2.gz YGBPORWATVFTND-HXUWFJFHSA-N 2 2 309.457 4.417 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3CC3CCC3)cc2)c[nH+]1 ZINC001174781643 1047972362 /nfs/dbraw/zinc/97/23/62/1047972362.db2.gz YGBPORWATVFTND-HXUWFJFHSA-N 2 2 309.457 4.417 20 0 DIADLP C[C@H](Cc1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC001174760370 1047980061 /nfs/dbraw/zinc/98/00/61/1047980061.db2.gz OHSNCCSFICOFQD-LJQANCHMSA-N 2 2 319.452 4.017 20 0 DIADLP C[C@H](Cc1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC001174760370 1047980078 /nfs/dbraw/zinc/98/00/78/1047980078.db2.gz OHSNCCSFICOFQD-LJQANCHMSA-N 2 2 319.452 4.017 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001174761098 1047980463 /nfs/dbraw/zinc/98/04/63/1047980463.db2.gz VMBGWQOHTJURSF-PXNSSMCTSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001174761098 1047980470 /nfs/dbraw/zinc/98/04/70/1047980470.db2.gz VMBGWQOHTJURSF-PXNSSMCTSA-N 2 2 309.457 4.335 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198769128 1048004394 /nfs/dbraw/zinc/00/43/94/1048004394.db2.gz KCYHJEICAVOHED-QGZVFWFLSA-N 2 2 319.399 4.029 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001160233156 1048007656 /nfs/dbraw/zinc/00/76/56/1048007656.db2.gz IKHWUOCPUAZGHT-QGZVFWFLSA-N 2 2 323.440 4.142 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184250637 1048018676 /nfs/dbraw/zinc/01/86/76/1048018676.db2.gz GKVRVEDPDSHLML-QGZVFWFLSA-N 2 2 302.506 4.064 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184250637 1048018690 /nfs/dbraw/zinc/01/86/90/1048018690.db2.gz GKVRVEDPDSHLML-QGZVFWFLSA-N 2 2 302.506 4.064 20 0 DIADLP Cc1cc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)ccc1[NH+](C)C ZINC001160285347 1048022784 /nfs/dbraw/zinc/02/27/84/1048022784.db2.gz QNNOKGZUFZOXDK-UHFFFAOYSA-N 2 2 309.457 4.185 20 0 DIADLP CCCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC001199609465 1048080197 /nfs/dbraw/zinc/08/01/97/1048080197.db2.gz SEXAXTANZQXGGL-MRXNPFEDSA-N 2 2 305.491 4.102 20 0 DIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480275587 1048108927 /nfs/dbraw/zinc/10/89/27/1048108927.db2.gz RWVFEIKQGIZJJV-JSGCOSHPSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000480275587 1048108930 /nfs/dbraw/zinc/10/89/30/1048108930.db2.gz RWVFEIKQGIZJJV-JSGCOSHPSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001199896122 1048111566 /nfs/dbraw/zinc/11/15/66/1048111566.db2.gz JTNJYTCLXVVBAY-SFHVURJKSA-N 2 2 319.452 4.231 20 0 DIADLP c1[nH]c2c(cccc2Nc2ccccc2C[NH+]2CCCCC2)[nH+]1 ZINC001213032241 1048124891 /nfs/dbraw/zinc/12/48/91/1048124891.db2.gz ZUKWFIHUWXGGGY-UHFFFAOYSA-N 2 2 306.413 4.292 20 0 DIADLP Cc1cc2ccccc2c(NCc2c[nH+]cn2CC2CCC2)[nH+]1 ZINC001161533161 1048136517 /nfs/dbraw/zinc/13/65/17/1048136517.db2.gz JQCVAGCODHXKOO-UHFFFAOYSA-N 2 2 306.413 4.152 20 0 DIADLP [NH3+]C1(CC2CCC2)CCN(c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001161571518 1048140672 /nfs/dbraw/zinc/14/06/72/1048140672.db2.gz LRMBHJCYKMWDNW-UHFFFAOYSA-N 2 2 321.468 4.237 20 0 DIADLP CCC1([NH+](C)C)CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC001175118559 1048150027 /nfs/dbraw/zinc/15/00/27/1048150027.db2.gz AYTQMWIXMKQHQI-AATRIKPKSA-N 2 2 306.881 4.159 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)cc1F ZINC000554883863 1048221251 /nfs/dbraw/zinc/22/12/51/1048221251.db2.gz FECHOHCJZJUOHQ-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)cc1F ZINC000554883863 1048221260 /nfs/dbraw/zinc/22/12/60/1048221260.db2.gz FECHOHCJZJUOHQ-UHFFFAOYSA-N 2 2 323.415 4.211 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000480751030 1048234318 /nfs/dbraw/zinc/23/43/18/1048234318.db2.gz PSTWRGGXBITNNK-CABCVRRESA-N 2 2 311.454 4.351 20 0 DIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000480770926 1048241765 /nfs/dbraw/zinc/24/17/65/1048241765.db2.gz QMLJNCDOXUDOIA-DZGCQCFKSA-N 2 2 323.893 4.086 20 0 DIADLP Cc1cn2cccc(Nc3ccc(C[NH+]4CCCCC4)cc3)c2[nH+]1 ZINC001175361046 1048277520 /nfs/dbraw/zinc/27/75/20/1048277520.db2.gz BLTDDDREHKHNNE-UHFFFAOYSA-N 2 2 320.440 4.372 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001201851079 1048381140 /nfs/dbraw/zinc/38/11/40/1048381140.db2.gz REBJMSQSFZLQGG-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001162909447 1048386430 /nfs/dbraw/zinc/38/64/30/1048386430.db2.gz XBYLQWOEAXITLW-CQSZACIVSA-N 2 2 316.408 4.051 20 0 DIADLP C[C@H]([NH2+]Cc1cscc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947032 1048407093 /nfs/dbraw/zinc/40/70/93/1048407093.db2.gz QGMZHANUJVVPTL-STQMWFEESA-N 2 2 312.910 4.144 20 0 DIADLP C[C@H]([NH2+]Cc1cscc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947032 1048407103 /nfs/dbraw/zinc/40/71/03/1048407103.db2.gz QGMZHANUJVVPTL-STQMWFEESA-N 2 2 312.910 4.144 20 0 DIADLP C[NH+](C)CC1CCC(Nc2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001163299078 1048448202 /nfs/dbraw/zinc/44/82/02/1048448202.db2.gz NPXFKPTVTUZLCV-UHFFFAOYSA-N 2 2 317.864 4.421 20 0 DIADLP CC(C)[N@@H+]1CC[C@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@H](C)C1 ZINC001163359867 1048458441 /nfs/dbraw/zinc/45/84/41/1048458441.db2.gz ADXYDRBCXOGLRR-DYVFJYSZSA-N 2 2 317.864 4.419 20 0 DIADLP CC(C)[N@H+]1CC[C@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@H](C)C1 ZINC001163359867 1048458450 /nfs/dbraw/zinc/45/84/50/1048458450.db2.gz ADXYDRBCXOGLRR-DYVFJYSZSA-N 2 2 317.864 4.419 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@H](C)C1 ZINC001163359866 1048459634 /nfs/dbraw/zinc/45/96/34/1048459634.db2.gz ADXYDRBCXOGLRR-CXAGYDPISA-N 2 2 317.864 4.419 20 0 DIADLP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@H](C)C1 ZINC001163359866 1048459638 /nfs/dbraw/zinc/45/96/38/1048459638.db2.gz ADXYDRBCXOGLRR-CXAGYDPISA-N 2 2 317.864 4.419 20 0 DIADLP CC(C)[N@@H+]1CC[C@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@H](C)C1 ZINC001163361596 1048461017 /nfs/dbraw/zinc/46/10/17/1048461017.db2.gz JLXVDVJGZJKEPZ-APWZRJJASA-N 2 2 309.457 4.279 20 0 DIADLP CC(C)[N@H+]1CC[C@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@H](C)C1 ZINC001163361596 1048461023 /nfs/dbraw/zinc/46/10/23/1048461023.db2.gz JLXVDVJGZJKEPZ-APWZRJJASA-N 2 2 309.457 4.279 20 0 DIADLP [NH3+]Cc1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC001175965248 1048508107 /nfs/dbraw/zinc/50/81/07/1048508107.db2.gz YLUDLXBKBFNJMW-UHFFFAOYSA-N 2 2 317.314 4.456 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001202300197 1048515225 /nfs/dbraw/zinc/51/52/25/1048515225.db2.gz VPQOPRSJKGIOGM-BXKJMJEDSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001202300197 1048515236 /nfs/dbraw/zinc/51/52/36/1048515236.db2.gz VPQOPRSJKGIOGM-BXKJMJEDSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc(C)c1F ZINC000482251626 1048576442 /nfs/dbraw/zinc/57/64/42/1048576442.db2.gz ZGVDJDGDWLXCMJ-INIZCTEOSA-N 2 2 315.436 4.380 20 0 DIADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)[nH+]c1C ZINC001176203047 1048603139 /nfs/dbraw/zinc/60/31/39/1048603139.db2.gz TYZBHORMDIAQTP-UHFFFAOYSA-N 2 2 321.827 4.199 20 0 DIADLP C[NH+](C)Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC001176291900 1048621728 /nfs/dbraw/zinc/62/17/28/1048621728.db2.gz MSOMXVUIOJRTBK-UHFFFAOYSA-N 2 2 309.457 4.482 20 0 DIADLP CC[NH+]1CCC(N(C)c2cc(C)c3ccc(C)c(C)c3[nH+]2)CC1 ZINC001165067646 1048657882 /nfs/dbraw/zinc/65/78/82/1048657882.db2.gz JAQMPXCLHYMGEB-UHFFFAOYSA-N 2 2 311.473 4.081 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(C)c(C)cc1C)CCC2 ZINC000483441282 1048801357 /nfs/dbraw/zinc/80/13/57/1048801357.db2.gz PZBMNGZMIWHJOU-MSOLQXFVSA-N 2 2 311.473 4.345 20 0 DIADLP CCC[N@H+](CCC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176899049 1048806810 /nfs/dbraw/zinc/80/68/10/1048806810.db2.gz WSMDHZNGBIDGIB-UHFFFAOYSA-N 2 2 302.506 4.409 20 0 DIADLP CCC[N@@H+](CCC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176899049 1048806830 /nfs/dbraw/zinc/80/68/30/1048806830.db2.gz WSMDHZNGBIDGIB-UHFFFAOYSA-N 2 2 302.506 4.409 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)cc2)c[nH+]1 ZINC001190977795 1048811428 /nfs/dbraw/zinc/81/14/28/1048811428.db2.gz VCZXFGJBJHKXEC-HXUWFJFHSA-N 2 2 307.441 4.195 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)cc2)c[nH+]1 ZINC001190977795 1048811443 /nfs/dbraw/zinc/81/14/43/1048811443.db2.gz VCZXFGJBJHKXEC-HXUWFJFHSA-N 2 2 307.441 4.195 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)oc2cc1C ZINC000483748135 1048854161 /nfs/dbraw/zinc/85/41/61/1048854161.db2.gz WSVIZQJLOBQEOE-HLLBOEOZSA-N 2 2 300.446 4.183 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)oc2cc1C ZINC000483748135 1048854174 /nfs/dbraw/zinc/85/41/74/1048854174.db2.gz WSVIZQJLOBQEOE-HLLBOEOZSA-N 2 2 300.446 4.183 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000483753124 1048856316 /nfs/dbraw/zinc/85/63/16/1048856316.db2.gz NCFHAHKTISBUFU-HDMKZQKVSA-N 2 2 318.486 4.383 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000483753124 1048856330 /nfs/dbraw/zinc/85/63/30/1048856330.db2.gz NCFHAHKTISBUFU-HDMKZQKVSA-N 2 2 318.486 4.383 20 0 DIADLP CC[NH+]1CCN(c2ccc([NH2+]CC3CCCCC3)c(C)c2)CC1 ZINC001177421282 1048886603 /nfs/dbraw/zinc/88/66/03/1048886603.db2.gz TUIZELRHLQOOGO-UHFFFAOYSA-N 2 2 315.505 4.129 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC001203388104 1048886839 /nfs/dbraw/zinc/88/68/39/1048886839.db2.gz HCQSYVOFHJFLCJ-UHFFFAOYSA-N 2 2 306.881 4.179 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC001203388104 1048886864 /nfs/dbraw/zinc/88/68/64/1048886864.db2.gz HCQSYVOFHJFLCJ-UHFFFAOYSA-N 2 2 306.881 4.179 20 0 DIADLP COc1ccc2c(Nc3cc(Cl)c4[nH+]ccn4c3)cc[nH+]c2c1 ZINC001203523657 1048919446 /nfs/dbraw/zinc/91/94/46/1048919446.db2.gz UDZZPZJNHBSOHA-UHFFFAOYSA-N 2 2 324.771 4.288 20 0 DIADLP COc1ccc2c(Nc3ccccc3-n3cc[nH+]c3)cc[nH+]c2c1 ZINC001203525920 1048919626 /nfs/dbraw/zinc/91/96/26/1048919626.db2.gz IKYXBCYBTYZSKO-UHFFFAOYSA-N 2 2 316.364 4.173 20 0 DIADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001177594578 1048921391 /nfs/dbraw/zinc/92/13/91/1048921391.db2.gz KYHDTNQMRONKMO-QGZVFWFLSA-N 2 2 304.522 4.093 20 0 DIADLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001177594578 1048921398 /nfs/dbraw/zinc/92/13/98/1048921398.db2.gz KYHDTNQMRONKMO-QGZVFWFLSA-N 2 2 304.522 4.093 20 0 DIADLP CC(C)CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC001178176193 1048994177 /nfs/dbraw/zinc/99/41/77/1048994177.db2.gz HNAPPCWHEBXXDN-UHFFFAOYSA-N 2 2 303.475 4.240 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178280393 1049011833 /nfs/dbraw/zinc/01/18/33/1049011833.db2.gz ARELBKNFMVPNLZ-HXUWFJFHSA-N 2 2 322.496 4.446 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178280393 1049011846 /nfs/dbraw/zinc/01/18/46/1049011846.db2.gz ARELBKNFMVPNLZ-HXUWFJFHSA-N 2 2 322.496 4.446 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001204002812 1049058271 /nfs/dbraw/zinc/05/82/71/1049058271.db2.gz ZTDLSCIDXMKKJX-HXUWFJFHSA-N 2 2 318.420 4.197 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001204002812 1049058285 /nfs/dbraw/zinc/05/82/85/1049058285.db2.gz ZTDLSCIDXMKKJX-HXUWFJFHSA-N 2 2 318.420 4.197 20 0 DIADLP CCc1ccc(CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001192271810 1049070956 /nfs/dbraw/zinc/07/09/56/1049070956.db2.gz KNDOKAVEUSVMHI-UHFFFAOYSA-N 2 2 324.512 4.292 20 0 DIADLP CCc1ccc(CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001192271810 1049070967 /nfs/dbraw/zinc/07/09/67/1049070967.db2.gz KNDOKAVEUSVMHI-UHFFFAOYSA-N 2 2 324.512 4.292 20 0 DIADLP CSc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001204146353 1049097669 /nfs/dbraw/zinc/09/76/69/1049097669.db2.gz MKLLGIDDPRVRPV-UHFFFAOYSA-N 2 2 318.530 4.247 20 0 DIADLP CSc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001204146353 1049097679 /nfs/dbraw/zinc/09/76/79/1049097679.db2.gz MKLLGIDDPRVRPV-UHFFFAOYSA-N 2 2 318.530 4.247 20 0 DIADLP CCCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000856767450 1049102261 /nfs/dbraw/zinc/10/22/61/1049102261.db2.gz ORFMDXXIECSVJC-UHFFFAOYSA-N 2 2 311.454 4.176 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC001192583902 1049118034 /nfs/dbraw/zinc/11/80/34/1049118034.db2.gz COQZKURSIGMEHU-QGZVFWFLSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC001192583902 1049118040 /nfs/dbraw/zinc/11/80/40/1049118040.db2.gz COQZKURSIGMEHU-QGZVFWFLSA-N 2 2 309.457 4.193 20 0 DIADLP CCC[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001179314667 1049154139 /nfs/dbraw/zinc/15/41/39/1049154139.db2.gz CZLFOXIHBCEJEL-AZUAARDMSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001179314667 1049154148 /nfs/dbraw/zinc/15/41/48/1049154148.db2.gz CZLFOXIHBCEJEL-AZUAARDMSA-N 2 2 300.490 4.177 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC001179603476 1049184736 /nfs/dbraw/zinc/18/47/36/1049184736.db2.gz ZATJRCBQBSAAMP-ZGXWSNOMSA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC001179603476 1049184745 /nfs/dbraw/zinc/18/47/45/1049184745.db2.gz ZATJRCBQBSAAMP-ZGXWSNOMSA-N 2 2 312.501 4.065 20 0 DIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)oc1C ZINC001204540908 1049186097 /nfs/dbraw/zinc/18/60/97/1049186097.db2.gz FENUVAXKGDSGSH-UHFFFAOYSA-N 2 2 304.478 4.125 20 0 DIADLP Cc1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)oc1C ZINC001204540908 1049186100 /nfs/dbraw/zinc/18/61/00/1049186100.db2.gz FENUVAXKGDSGSH-UHFFFAOYSA-N 2 2 304.478 4.125 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccns1 ZINC000858576970 1049280271 /nfs/dbraw/zinc/28/02/71/1049280271.db2.gz NYFHVOJJGKZHCG-CQSZACIVSA-N 2 2 323.550 4.473 20 0 DIADLP Cc1cc(Cl)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205288499 1049429107 /nfs/dbraw/zinc/42/91/07/1049429107.db2.gz KJEBJNOLPLULNI-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1cc(Cl)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1 ZINC001205288499 1049429113 /nfs/dbraw/zinc/42/91/13/1049429113.db2.gz KJEBJNOLPLULNI-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP C[NH+](C)CC(C)(C)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001194897849 1049445444 /nfs/dbraw/zinc/44/54/44/1049445444.db2.gz BHZVYXXNFLAXTI-UHFFFAOYSA-N 2 2 317.304 4.246 20 0 DIADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001181242657 1049453474 /nfs/dbraw/zinc/45/34/74/1049453474.db2.gz AWDJOBLHOOJMJI-RTBURBONSA-N 2 2 300.490 4.034 20 0 DIADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001181242657 1049453478 /nfs/dbraw/zinc/45/34/78/1049453478.db2.gz AWDJOBLHOOJMJI-RTBURBONSA-N 2 2 300.490 4.034 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001181436324 1049482959 /nfs/dbraw/zinc/48/29/59/1049482959.db2.gz PHZFQWBSEIFLRH-UXHICEINSA-N 2 2 316.533 4.498 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001181436324 1049482962 /nfs/dbraw/zinc/48/29/62/1049482962.db2.gz PHZFQWBSEIFLRH-UXHICEINSA-N 2 2 316.533 4.498 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181914201 1049547614 /nfs/dbraw/zinc/54/76/14/1049547614.db2.gz WOMXQUVQUBPGKF-VQTJNVASSA-N 2 2 314.517 4.455 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181914201 1049547625 /nfs/dbraw/zinc/54/76/25/1049547625.db2.gz WOMXQUVQUBPGKF-VQTJNVASSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001182031161 1049561577 /nfs/dbraw/zinc/56/15/77/1049561577.db2.gz GRWSWMVQNWBFAA-CYBMUJFWSA-N 2 2 303.837 4.194 20 0 DIADLP CC(C)[NH2+]Cc1cccc(-c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000863689707 1049589105 /nfs/dbraw/zinc/58/91/05/1049589105.db2.gz DZVXFYDJDYVZIM-UHFFFAOYSA-N 2 2 305.425 4.096 20 0 DIADLP Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000863982856 1049608036 /nfs/dbraw/zinc/60/80/36/1049608036.db2.gz GOFJCCVXFLJNNR-INIZCTEOSA-N 2 2 311.473 4.296 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000339068464 1049654518 /nfs/dbraw/zinc/65/45/18/1049654518.db2.gz KSQVWXMPDSHZOD-LJQANCHMSA-N 2 2 309.457 4.249 20 0 DIADLP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001196684602 1049679918 /nfs/dbraw/zinc/67/99/18/1049679918.db2.gz OASVLHHFTVELLT-QGZVFWFLSA-N 2 2 306.881 4.134 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182634903 1049692025 /nfs/dbraw/zinc/69/20/25/1049692025.db2.gz SPGSAIAEXAUNJW-NJDAHSKKSA-N 2 2 314.517 4.394 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182634903 1049692027 /nfs/dbraw/zinc/69/20/27/1049692027.db2.gz SPGSAIAEXAUNJW-NJDAHSKKSA-N 2 2 314.517 4.394 20 0 DIADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CCC1CCCCC1 ZINC001206288150 1049699791 /nfs/dbraw/zinc/69/97/91/1049699791.db2.gz TYMRTCXBWNHTED-UHFFFAOYSA-N 2 2 320.477 4.018 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001206478225 1049739906 /nfs/dbraw/zinc/73/99/06/1049739906.db2.gz VZGKKLLSHHEJFA-RLLQIKCJSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001206478225 1049739909 /nfs/dbraw/zinc/73/99/09/1049739909.db2.gz VZGKKLLSHHEJFA-RLLQIKCJSA-N 2 2 314.517 4.349 20 0 DIADLP [NH3+]CCC1CC[NH+](Cc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001206500326 1049744789 /nfs/dbraw/zinc/74/47/89/1049744789.db2.gz LRJSKDFSMKGHQJ-UHFFFAOYSA-N 2 2 321.679 4.208 20 0 DIADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)C2 ZINC001207931445 1049955547 /nfs/dbraw/zinc/95/55/47/1049955547.db2.gz FZLPXDOLNSVOLW-INIZCTEOSA-N 2 2 311.473 4.009 20 0 DIADLP Cc1[nH+]cc2n1CC[N@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)C2 ZINC001207931445 1049955552 /nfs/dbraw/zinc/95/55/52/1049955552.db2.gz FZLPXDOLNSVOLW-INIZCTEOSA-N 2 2 311.473 4.009 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001207936766 1049958729 /nfs/dbraw/zinc/95/87/29/1049958729.db2.gz JKKHEKKBXSYTAL-UIFIKXQLSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001207936766 1049958739 /nfs/dbraw/zinc/95/87/39/1049958739.db2.gz JKKHEKKBXSYTAL-UIFIKXQLSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001207936766 1049958750 /nfs/dbraw/zinc/95/87/50/1049958750.db2.gz JKKHEKKBXSYTAL-UIFIKXQLSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001207936766 1049958759 /nfs/dbraw/zinc/95/87/59/1049958759.db2.gz JKKHEKKBXSYTAL-UIFIKXQLSA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207936763 1049958968 /nfs/dbraw/zinc/95/89/68/1049958968.db2.gz JKKHEKKBXSYTAL-JRGCBEDISA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207936763 1049958969 /nfs/dbraw/zinc/95/89/69/1049958969.db2.gz JKKHEKKBXSYTAL-JRGCBEDISA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001207936763 1049958975 /nfs/dbraw/zinc/95/89/75/1049958975.db2.gz JKKHEKKBXSYTAL-JRGCBEDISA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)c1ccc(C[C@@H](C)C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001207936763 1049958978 /nfs/dbraw/zinc/95/89/78/1049958978.db2.gz JKKHEKKBXSYTAL-JRGCBEDISA-N 2 2 314.517 4.015 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001207937592 1049962343 /nfs/dbraw/zinc/96/23/43/1049962343.db2.gz LFFDIFJAABIQDV-ACRUOGEOSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001207937592 1049962348 /nfs/dbraw/zinc/96/23/48/1049962348.db2.gz LFFDIFJAABIQDV-ACRUOGEOSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001207937592 1049962357 /nfs/dbraw/zinc/96/23/57/1049962357.db2.gz LFFDIFJAABIQDV-ACRUOGEOSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001207937592 1049962362 /nfs/dbraw/zinc/96/23/62/1049962362.db2.gz LFFDIFJAABIQDV-ACRUOGEOSA-N 2 2 316.533 4.485 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000588177616 1049973161 /nfs/dbraw/zinc/97/31/61/1049973161.db2.gz LBQIXIKHLAGGPY-PDGQHHTCSA-N 2 2 317.436 4.125 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000572324260 1049999543 /nfs/dbraw/zinc/99/95/43/1049999543.db2.gz PPCOWFYZWNTXEW-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000572324260 1049999549 /nfs/dbraw/zinc/99/95/49/1049999549.db2.gz PPCOWFYZWNTXEW-UHFFFAOYSA-N 2 2 323.843 4.150 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CCC2CCCC2)CC1 ZINC001208696174 1050003076 /nfs/dbraw/zinc/00/30/76/1050003076.db2.gz ORYYZLJJIGEUIQ-UHFFFAOYSA-N 2 2 318.480 4.302 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CCC2CCCC2)CC1 ZINC001208696174 1050003081 /nfs/dbraw/zinc/00/30/81/1050003081.db2.gz ORYYZLJJIGEUIQ-UHFFFAOYSA-N 2 2 318.480 4.302 20 0 DIADLP CC[N@H+](C[C@@H](C)c1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC001208716444 1050005472 /nfs/dbraw/zinc/00/54/72/1050005472.db2.gz LWFQEGKNQCFHPE-QGZVFWFLSA-N 2 2 310.485 4.359 20 0 DIADLP CC[N@@H+](C[C@@H](C)c1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC001208716444 1050005473 /nfs/dbraw/zinc/00/54/73/1050005473.db2.gz LWFQEGKNQCFHPE-QGZVFWFLSA-N 2 2 310.485 4.359 20 0 DIADLP CC[N@H+](C[C@H](C)c1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC001208716442 1050005775 /nfs/dbraw/zinc/00/57/75/1050005775.db2.gz LWFQEGKNQCFHPE-KRWDZBQOSA-N 2 2 310.485 4.359 20 0 DIADLP CC[N@@H+](C[C@H](C)c1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC001208716442 1050005781 /nfs/dbraw/zinc/00/57/81/1050005781.db2.gz LWFQEGKNQCFHPE-KRWDZBQOSA-N 2 2 310.485 4.359 20 0 DIADLP C[NH+]1CCC([N@H+](CCCc2ccc(F)cc2)C2CCCC2)CC1 ZINC001208772084 1050009482 /nfs/dbraw/zinc/00/94/82/1050009482.db2.gz PHXXRLGFGJERKS-UHFFFAOYSA-N 2 2 318.480 4.097 20 0 DIADLP C[NH+]1CCC([N@@H+](CCCc2ccc(F)cc2)C2CCCC2)CC1 ZINC001208772084 1050009488 /nfs/dbraw/zinc/00/94/88/1050009488.db2.gz PHXXRLGFGJERKS-UHFFFAOYSA-N 2 2 318.480 4.097 20 0 DIADLP CC[NH+](CC)C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001208870981 1050018491 /nfs/dbraw/zinc/01/84/91/1050018491.db2.gz DDCUTWUKLHBLJC-UHFFFAOYSA-N 2 2 308.897 4.079 20 0 DIADLP Clc1ccccc1CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001208870733 1050018935 /nfs/dbraw/zinc/01/89/35/1050018935.db2.gz AIBJXRCHSHLYRE-UHFFFAOYSA-N 2 2 320.908 4.223 20 0 DIADLP Cc1cc(N)[nH+]cc1Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001209967807 1050113106 /nfs/dbraw/zinc/11/31/06/1050113106.db2.gz SERLTEUVGNHEQZ-UHFFFAOYSA-N 2 2 321.428 4.084 20 0 DIADLP CC[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CCC1 ZINC000824066092 1050181428 /nfs/dbraw/zinc/18/14/28/1050181428.db2.gz NAXCPMJOMXFOPZ-HXUWFJFHSA-N 2 2 315.505 4.208 20 0 DIADLP Clc1cc(Cl)c(Cl)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246341203 1050232419 /nfs/dbraw/zinc/23/24/19/1050232419.db2.gz HQQAQPPNMUXQEH-ZSBIGDGJSA-N 2 2 319.663 4.019 20 0 DIADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171132978 1050451474 /nfs/dbraw/zinc/45/14/74/1050451474.db2.gz IDIGDHZXXIXEHR-IBGZPJMESA-N 2 2 320.908 4.002 20 0 DIADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171132978 1050451480 /nfs/dbraw/zinc/45/14/80/1050451480.db2.gz IDIGDHZXXIXEHR-IBGZPJMESA-N 2 2 320.908 4.002 20 0 DIADLP CCc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001144328919 1050543986 /nfs/dbraw/zinc/54/39/86/1050543986.db2.gz JNZVMOYXESSARO-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP CCc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001144328919 1050544000 /nfs/dbraw/zinc/54/40/00/1050544000.db2.gz JNZVMOYXESSARO-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP CC(C)CCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001170070297 1050558823 /nfs/dbraw/zinc/55/88/23/1050558823.db2.gz VRPKUDBNBRRXLJ-KRWDZBQOSA-N 2 2 303.494 4.102 20 0 DIADLP Cc1[nH]c2ccc(Nc3ccc(Cn4cc[nH+]c4C)cc3)cc2[nH+]1 ZINC001213074356 1050578645 /nfs/dbraw/zinc/57/86/45/1050578645.db2.gz QOOWJZRPOFYTSQ-UHFFFAOYSA-N 2 2 317.396 4.168 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000575097868 1050644751 /nfs/dbraw/zinc/64/47/51/1050644751.db2.gz RMXXJLSRMKQJDY-OXJNMPFZSA-N 2 2 309.457 4.013 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000575097867 1050646052 /nfs/dbraw/zinc/64/60/52/1050646052.db2.gz RMXXJLSRMKQJDY-JXFKEZNVSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1cccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000575208798 1050646601 /nfs/dbraw/zinc/64/66/01/1050646601.db2.gz RZSLNBGQGJHKEC-UHFFFAOYSA-N 2 2 317.521 4.159 20 0 DIADLP CSc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742392534 1050829208 /nfs/dbraw/zinc/82/92/08/1050829208.db2.gz QCOUMYKTOXTWJI-OAHLLOKOSA-N 2 2 323.465 4.445 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc(Cl)c2F)CC1(C)C ZINC001171619063 1051177735 /nfs/dbraw/zinc/17/77/35/1051177735.db2.gz GGRGQVMKHOXEDM-UHFFFAOYSA-N 2 2 312.860 4.220 20 0 DIADLP Cc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]c1C ZINC001170333722 1051185853 /nfs/dbraw/zinc/18/58/53/1051185853.db2.gz UQKQDAKAMIKKIK-ZKTXZKFHSA-N 2 2 321.468 4.306 20 0 DIADLP Cc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]c1C ZINC001170333722 1051185861 /nfs/dbraw/zinc/18/58/61/1051185861.db2.gz UQKQDAKAMIKKIK-ZKTXZKFHSA-N 2 2 321.468 4.306 20 0 DIADLP CC1(C)C[C@H]([NH2+]COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975166 1051263061 /nfs/dbraw/zinc/26/30/61/1051263061.db2.gz LSLSXOVSGFWTDM-LJQANCHMSA-N 2 2 324.468 4.056 20 0 DIADLP CC1(C)C[C@H]([NH2+]COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171975166 1051263076 /nfs/dbraw/zinc/26/30/76/1051263076.db2.gz LSLSXOVSGFWTDM-LJQANCHMSA-N 2 2 324.468 4.056 20 0 DIADLP F[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075447 1051275404 /nfs/dbraw/zinc/27/54/04/1051275404.db2.gz XKBPJIQDLCRQOG-ZRNYENFQSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075447 1051275414 /nfs/dbraw/zinc/27/54/14/1051275414.db2.gz XKBPJIQDLCRQOG-ZRNYENFQSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075447 1051275426 /nfs/dbraw/zinc/27/54/26/1051275426.db2.gz XKBPJIQDLCRQOG-ZRNYENFQSA-N 2 2 316.464 4.006 20 0 DIADLP F[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075447 1051275438 /nfs/dbraw/zinc/27/54/38/1051275438.db2.gz XKBPJIQDLCRQOG-ZRNYENFQSA-N 2 2 316.464 4.006 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001215744764 1051338403 /nfs/dbraw/zinc/33/84/03/1051338403.db2.gz HVODMHHPFZHZMR-UHFFFAOYSA-N 2 2 324.472 4.171 20 0 DIADLP C[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001172365971 1051376342 /nfs/dbraw/zinc/37/63/42/1051376342.db2.gz MIHAMNIXVIFJJF-LQWHRVPQSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001172365971 1051376350 /nfs/dbraw/zinc/37/63/50/1051376350.db2.gz MIHAMNIXVIFJJF-LQWHRVPQSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Oc2ccccc2)cc1 ZINC001168824546 1051446464 /nfs/dbraw/zinc/44/64/64/1051446464.db2.gz BKQABBIBRMYXGR-FUHWJXTLSA-N 2 2 310.441 4.224 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Oc2ccccc2)cc1 ZINC001168824546 1051446472 /nfs/dbraw/zinc/44/64/72/1051446472.db2.gz BKQABBIBRMYXGR-FUHWJXTLSA-N 2 2 310.441 4.224 20 0 DIADLP c1ccc(C[NH+]2CC(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC001172545815 1051457596 /nfs/dbraw/zinc/45/75/96/1051457596.db2.gz GRLGANFNYNTHNF-YADHBBJMSA-N 2 2 320.480 4.044 20 0 DIADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001169068988 1051505794 /nfs/dbraw/zinc/50/57/94/1051505794.db2.gz CVEDJZCFRBIRSF-IBGZPJMESA-N 2 2 307.441 4.081 20 0 DIADLP Cc1cn2cccc(Nc3ccc(C4CC[NH+](C)CC4)cc3)c2[nH+]1 ZINC001212687807 1051553557 /nfs/dbraw/zinc/55/35/57/1051553557.db2.gz NHKKGHGDZZDZDW-UHFFFAOYSA-N 2 2 320.440 4.196 20 0 DIADLP CC[NH+]1CCC([NH2+]Cc2ccccc2Oc2ccccc2)CC1 ZINC001169224722 1051557785 /nfs/dbraw/zinc/55/77/85/1051557785.db2.gz MVLIEXPTBKORFY-UHFFFAOYSA-N 2 2 310.441 4.053 20 0 DIADLP CSc1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC001212689986 1051569124 /nfs/dbraw/zinc/56/91/24/1051569124.db2.gz PLBIKCQNSRKBSY-UHFFFAOYSA-N 2 2 313.470 4.356 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000178757615 1051587602 /nfs/dbraw/zinc/58/76/02/1051587602.db2.gz KZGSWXZCXOOZSW-ZWOKBUDYSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000178757615 1051587614 /nfs/dbraw/zinc/58/76/14/1051587614.db2.gz KZGSWXZCXOOZSW-ZWOKBUDYSA-N 2 2 324.468 4.096 20 0 DIADLP CCc1ccc(C[C@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)cc1 ZINC001173247412 1051652757 /nfs/dbraw/zinc/65/27/57/1051652757.db2.gz BSKAYYYVMNXVEF-INIZCTEOSA-N 2 2 319.452 4.375 20 0 DIADLP CCCC[C@H](CC(C)C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001173260247 1051661931 /nfs/dbraw/zinc/66/19/31/1051661931.db2.gz PLKAWJRGQKFPBG-GOSISDBHSA-N 2 2 303.494 4.245 20 0 DIADLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001173276905 1051686143 /nfs/dbraw/zinc/68/61/43/1051686143.db2.gz WNZXYEIKTBTKHU-UZLBHIALSA-N 2 2 318.480 4.267 20 0 DIADLP CC[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285754 1051690894 /nfs/dbraw/zinc/69/08/94/1051690894.db2.gz XZUIOJCCCZXSBS-JXFKEZNVSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001173285754 1051690899 /nfs/dbraw/zinc/69/08/99/1051690899.db2.gz XZUIOJCCCZXSBS-JXFKEZNVSA-N 2 2 318.480 4.301 20 0 DIADLP c1ccc2c(c1)CCC21CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001173685637 1051777835 /nfs/dbraw/zinc/77/78/35/1051777835.db2.gz YMLHUKUVPUBLJJ-LVIWNVNYSA-N 2 2 324.512 4.030 20 0 DIADLP c1ccc2c(c1)CCC21CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001173685637 1051777846 /nfs/dbraw/zinc/77/78/46/1051777846.db2.gz YMLHUKUVPUBLJJ-LVIWNVNYSA-N 2 2 324.512 4.030 20 0 DIADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000767373749 1051797915 /nfs/dbraw/zinc/79/79/15/1051797915.db2.gz BFBCYOIOTSDAIN-YWZLYKJASA-N 2 2 312.457 4.039 20 0 DIADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)o1 ZINC000767373749 1051797927 /nfs/dbraw/zinc/79/79/27/1051797927.db2.gz BFBCYOIOTSDAIN-YWZLYKJASA-N 2 2 312.457 4.039 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc4c(c3)C[N@@H+](C)CC4)ccc21 ZINC001174384658 1052145364 /nfs/dbraw/zinc/14/53/64/1052145364.db2.gz JUAFPFWXLUWPLD-UHFFFAOYSA-N 2 2 320.440 4.349 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc4c(c3)C[N@H+](C)CC4)ccc21 ZINC001174384658 1052145370 /nfs/dbraw/zinc/14/53/70/1052145370.db2.gz JUAFPFWXLUWPLD-UHFFFAOYSA-N 2 2 320.440 4.349 20 0 DIADLP CCCc1csc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000494846887 1052150450 /nfs/dbraw/zinc/15/04/50/1052150450.db2.gz RSPHDKQCQLHXIM-UHFFFAOYSA-N 2 2 323.550 4.230 20 0 DIADLP Clc1ccc2c(Nc3cccc4c3CC[NH2+]C4)cc[nH+]c2c1 ZINC000316695986 1052372080 /nfs/dbraw/zinc/37/20/80/1052372080.db2.gz JPYAOUBSUPAQIZ-UHFFFAOYSA-N 2 2 309.800 4.278 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222197912 1052459994 /nfs/dbraw/zinc/45/99/94/1052459994.db2.gz PRNDBHLGFLMNTH-HXUWFJFHSA-N 2 2 322.477 4.382 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222197912 1052459998 /nfs/dbraw/zinc/45/99/98/1052459998.db2.gz PRNDBHLGFLMNTH-HXUWFJFHSA-N 2 2 322.477 4.382 20 0 DIADLP C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168497385 1052465287 /nfs/dbraw/zinc/46/52/87/1052465287.db2.gz ASHBTMBVDDQUJJ-MRXNPFEDSA-N 2 2 323.415 4.074 20 0 DIADLP C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168497385 1052465288 /nfs/dbraw/zinc/46/52/88/1052465288.db2.gz ASHBTMBVDDQUJJ-MRXNPFEDSA-N 2 2 323.415 4.074 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222287308 1052473827 /nfs/dbraw/zinc/47/38/27/1052473827.db2.gz GLJRMRXRBUXALQ-JOCHJYFZSA-N 2 2 320.480 4.298 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222287308 1052473829 /nfs/dbraw/zinc/47/38/29/1052473829.db2.gz GLJRMRXRBUXALQ-JOCHJYFZSA-N 2 2 320.480 4.298 20 0 DIADLP Fc1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347051 1052489052 /nfs/dbraw/zinc/48/90/52/1052489052.db2.gz UQFTXEQZOIBZHU-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222347051 1052489059 /nfs/dbraw/zinc/48/90/59/1052489059.db2.gz UQFTXEQZOIBZHU-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2ccccc12 ZINC001222390025 1052495014 /nfs/dbraw/zinc/49/50/14/1052495014.db2.gz KJYXHYJTYIZEID-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2ccccc12 ZINC001222390025 1052495017 /nfs/dbraw/zinc/49/50/17/1052495017.db2.gz KJYXHYJTYIZEID-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222428214 1052499287 /nfs/dbraw/zinc/49/92/87/1052499287.db2.gz ZUNZLTWSGAGNMO-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222428214 1052499293 /nfs/dbraw/zinc/49/92/93/1052499293.db2.gz ZUNZLTWSGAGNMO-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222427888 1052499553 /nfs/dbraw/zinc/49/95/53/1052499553.db2.gz XNWJKQARPCZREY-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222427888 1052499559 /nfs/dbraw/zinc/49/95/59/1052499559.db2.gz XNWJKQARPCZREY-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP CC(C)(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222464712 1052502210 /nfs/dbraw/zinc/50/22/10/1052502210.db2.gz CSLKWHJUVZRQBW-KRWDZBQOSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222464712 1052502219 /nfs/dbraw/zinc/50/22/19/1052502219.db2.gz CSLKWHJUVZRQBW-KRWDZBQOSA-N 2 2 324.921 4.039 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2)C1 ZINC001222597528 1052515120 /nfs/dbraw/zinc/51/51/20/1052515120.db2.gz OSCZLGLUUUTRSU-QGZVFWFLSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2)C1 ZINC001222597528 1052515129 /nfs/dbraw/zinc/51/51/29/1052515129.db2.gz OSCZLGLUUUTRSU-QGZVFWFLSA-N 2 2 321.251 4.193 20 0 DIADLP Cc1cc(C)cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000320497104 1052523163 /nfs/dbraw/zinc/52/31/63/1052523163.db2.gz STCHAWLQFUCTMO-OAQYLSRUSA-N 2 2 308.469 4.230 20 0 DIADLP Cc1cc(CO[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc(C)[nH+]1 ZINC001223422430 1052599270 /nfs/dbraw/zinc/59/92/70/1052599270.db2.gz PFHHRDUCYIQWAP-HRAATJIYSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc(C)[nH+]1 ZINC001223422430 1052599279 /nfs/dbraw/zinc/59/92/79/1052599279.db2.gz PFHHRDUCYIQWAP-HRAATJIYSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000125189237 1052645762 /nfs/dbraw/zinc/64/57/62/1052645762.db2.gz WNQQIDAUMYKLMZ-IAGOWNOFSA-N 2 2 312.457 4.464 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000125189006 1052645986 /nfs/dbraw/zinc/64/59/86/1052645986.db2.gz WNQQIDAUMYKLMZ-IRXDYDNUSA-N 2 2 312.457 4.464 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126451803 1052670436 /nfs/dbraw/zinc/67/04/36/1052670436.db2.gz BRRCZYWMBBMGKQ-NUEKZKHPSA-N 2 2 300.471 4.179 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126451803 1052670438 /nfs/dbraw/zinc/67/04/38/1052670438.db2.gz BRRCZYWMBBMGKQ-NUEKZKHPSA-N 2 2 300.471 4.179 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129624681 1052798417 /nfs/dbraw/zinc/79/84/17/1052798417.db2.gz NMYBCUXBSCIRSZ-GMXVVIOVSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000129624681 1052798420 /nfs/dbraw/zinc/79/84/20/1052798420.db2.gz NMYBCUXBSCIRSZ-GMXVVIOVSA-N 2 2 301.261 4.127 20 0 DIADLP c1ccc(Oc2ccccc2C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226784071 1052931108 /nfs/dbraw/zinc/93/11/08/1052931108.db2.gz JRBWTHNATXRLCC-UHFFFAOYSA-N 2 2 322.452 4.197 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252211149 1053260568 /nfs/dbraw/zinc/26/05/68/1053260568.db2.gz WJIHNTYPMPQYHR-FGTMMUONSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252211149 1053260581 /nfs/dbraw/zinc/26/05/81/1053260581.db2.gz WJIHNTYPMPQYHR-FGTMMUONSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252211149 1053260590 /nfs/dbraw/zinc/26/05/90/1053260590.db2.gz WJIHNTYPMPQYHR-FGTMMUONSA-N 2 2 318.480 4.473 20 0 DIADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252211149 1053260600 /nfs/dbraw/zinc/26/06/00/1053260600.db2.gz WJIHNTYPMPQYHR-FGTMMUONSA-N 2 2 318.480 4.473 20 0 DIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001200243993 1053493588 /nfs/dbraw/zinc/49/35/88/1053493588.db2.gz OTUQFUUSTVSSQM-CYBMUJFWSA-N 2 2 315.288 4.203 20 0 DIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001200243993 1053493594 /nfs/dbraw/zinc/49/35/94/1053493594.db2.gz OTUQFUUSTVSSQM-CYBMUJFWSA-N 2 2 315.288 4.203 20 0 DIADLP CCCc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152771281 1053528716 /nfs/dbraw/zinc/52/87/16/1053528716.db2.gz ZGVDHVSTYAEMGP-MRXNPFEDSA-N 2 2 311.473 4.065 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C/C(Cl)=C/Cl)cc1 ZINC000183673452 1053722404 /nfs/dbraw/zinc/72/24/04/1053722404.db2.gz OEQCWORAGRIVJE-HOXUKUGESA-N 2 2 310.228 4.150 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)o1 ZINC001231597521 1053797057 /nfs/dbraw/zinc/79/70/57/1053797057.db2.gz NRZCYBIRDGERJP-UHFFFAOYSA-N 2 2 321.424 4.289 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001231781601 1053856336 /nfs/dbraw/zinc/85/63/36/1053856336.db2.gz JRXOBAVVJUYWCD-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001231781601 1053856347 /nfs/dbraw/zinc/85/63/47/1053856347.db2.gz JRXOBAVVJUYWCD-UHFFFAOYSA-N 2 2 300.490 4.088 20 0 DIADLP Cc1csc2sc(C[NH+]3CCC([NH+]4CCC4)CC3)c(C)c12 ZINC001231831782 1053885561 /nfs/dbraw/zinc/88/55/61/1053885561.db2.gz XTWNEWWECNPOLW-UHFFFAOYSA-N 2 2 320.527 4.250 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(C(C)(C)CC)cc2)CC1 ZINC001232080410 1053955892 /nfs/dbraw/zinc/95/58/92/1053955892.db2.gz HUSKBETXCXIMMD-UHFFFAOYSA-N 2 2 302.506 4.290 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C(C)(C)CC)cc2)CC1 ZINC001232080410 1053955904 /nfs/dbraw/zinc/95/59/04/1053955904.db2.gz HUSKBETXCXIMMD-UHFFFAOYSA-N 2 2 302.506 4.290 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000159271725 1054033283 /nfs/dbraw/zinc/03/32/83/1054033283.db2.gz TZSUKDKMNPMXEW-OAHLLOKOSA-N 2 2 300.446 4.185 20 0 DIADLP c1cc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2s1 ZINC001232610372 1054081859 /nfs/dbraw/zinc/08/18/59/1054081859.db2.gz OUOYXBPIOGUPLZ-UHFFFAOYSA-N 2 2 314.498 4.352 20 0 DIADLP c1cc2ccc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)cc2s1 ZINC001232610294 1054081886 /nfs/dbraw/zinc/08/18/86/1054081886.db2.gz MUGZPWOXWZJQDS-UHFFFAOYSA-N 2 2 324.449 4.340 20 0 DIADLP Cc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)[nH+]c2ccccc12 ZINC001355346313 1054115091 /nfs/dbraw/zinc/11/50/91/1054115091.db2.gz UEXHZODLTYXFPK-GOSISDBHSA-N 2 2 320.440 4.043 20 0 DIADLP CC(C)[N@H+](Cc1cncc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001232903087 1054147906 /nfs/dbraw/zinc/14/79/06/1054147906.db2.gz CHEYNOJAAGMBEB-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP CC(C)[N@@H+](Cc1cncc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001232903087 1054147922 /nfs/dbraw/zinc/14/79/22/1054147922.db2.gz CHEYNOJAAGMBEB-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP c1cc(OC2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)cc[nH+]1 ZINC001232985113 1054165423 /nfs/dbraw/zinc/16/54/23/1054165423.db2.gz WZPKXWCBEOPOKG-UHFFFAOYSA-N 2 2 308.425 4.002 20 0 DIADLP CC(C)c1cc(NC2CC([NH+]3CCCCC3)C2)nc(C(C)C)[nH+]1 ZINC000480835579 1054396185 /nfs/dbraw/zinc/39/61/85/1054396185.db2.gz BRRVXHZFKWHMPL-UHFFFAOYSA-N 2 2 316.493 4.152 20 0 DIADLP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650893 1054511809 /nfs/dbraw/zinc/51/18/09/1054511809.db2.gz MJLGNTDOABCWPY-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235003111 1054640996 /nfs/dbraw/zinc/64/09/96/1054640996.db2.gz ZLPBFJKSPPJFTA-SFHVURJKSA-N 2 2 306.881 4.039 20 0 DIADLP CC(C)c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235003111 1054641000 /nfs/dbraw/zinc/64/10/00/1054641000.db2.gz ZLPBFJKSPPJFTA-SFHVURJKSA-N 2 2 306.881 4.039 20 0 DIADLP Fc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001235114392 1054660331 /nfs/dbraw/zinc/66/03/31/1054660331.db2.gz CRKSRXPFTGKYFK-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001235114392 1054660339 /nfs/dbraw/zinc/66/03/39/1054660339.db2.gz CRKSRXPFTGKYFK-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Cc1c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235128866 1054661708 /nfs/dbraw/zinc/66/17/08/1054661708.db2.gz IVUADEOIHCPRKE-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235128866 1054661720 /nfs/dbraw/zinc/66/17/20/1054661720.db2.gz IVUADEOIHCPRKE-QFIPXVFZSA-N 2 2 320.480 4.380 20 0 DIADLP CCCCCCOc1ccc(C[NH+]2CCC([NH2+]CC)CC2)cc1 ZINC001235725675 1054789560 /nfs/dbraw/zinc/78/95/60/1054789560.db2.gz MHKWPURZJVMUFQ-UHFFFAOYSA-N 2 2 318.505 4.220 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235891980 1054832454 /nfs/dbraw/zinc/83/24/54/1054832454.db2.gz JDYHUVBQTUWNEV-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2)cc1 ZINC001235891980 1054832465 /nfs/dbraw/zinc/83/24/65/1054832465.db2.gz JDYHUVBQTUWNEV-HKUYNNGSSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235904537 1054843081 /nfs/dbraw/zinc/84/30/81/1054843081.db2.gz KJCCBOWCTYMLNY-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2)c1 ZINC001235904537 1054843086 /nfs/dbraw/zinc/84/30/86/1054843086.db2.gz KJCCBOWCTYMLNY-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235907457 1054845062 /nfs/dbraw/zinc/84/50/62/1054845062.db2.gz QEJMLWAMCQCBOE-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235907457 1054845072 /nfs/dbraw/zinc/84/50/72/1054845072.db2.gz QEJMLWAMCQCBOE-IEBWSBKVSA-N 2 2 323.484 4.075 20 0 DIADLP CC[N@H+](Cc1cccc(-c2c(C)cccc2C)c1)[C@@H]1CC[NH2+]C1 ZINC001235976551 1054879327 /nfs/dbraw/zinc/87/93/27/1054879327.db2.gz YMVHPAYUFCUYJV-HXUWFJFHSA-N 2 2 308.469 4.154 20 0 DIADLP CC[N@@H+](Cc1cccc(-c2c(C)cccc2C)c1)[C@@H]1CC[NH2+]C1 ZINC001235976551 1054879336 /nfs/dbraw/zinc/87/93/36/1054879336.db2.gz YMVHPAYUFCUYJV-HXUWFJFHSA-N 2 2 308.469 4.154 20 0 DIADLP Fc1c(C[NH+]2CCCCC2)cccc1-c1[nH+]ccc2[nH]ccc21 ZINC001236003284 1054888904 /nfs/dbraw/zinc/88/89/04/1054888904.db2.gz VUDIESTYBBSEGV-UHFFFAOYSA-N 2 2 309.388 4.355 20 0 DIADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051961 1054917322 /nfs/dbraw/zinc/91/73/22/1054917322.db2.gz OLPAHRPRYYTSMF-HIFRSBDPSA-N 2 2 310.466 4.224 20 0 DIADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051961 1054917334 /nfs/dbraw/zinc/91/73/34/1054917334.db2.gz OLPAHRPRYYTSMF-HIFRSBDPSA-N 2 2 310.466 4.224 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1F ZINC000181925862 1054946925 /nfs/dbraw/zinc/94/69/25/1054946925.db2.gz HTILEHOPMUXLIC-GOSISDBHSA-N 2 2 324.871 4.393 20 0 DIADLP C(=C/[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000181947544 1054949974 /nfs/dbraw/zinc/94/99/74/1054949974.db2.gz MSLROGXOHGUPRB-IJDCCNJMSA-N 2 2 315.486 4.293 20 0 DIADLP C(=C/[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000181947544 1054949984 /nfs/dbraw/zinc/94/99/84/1054949984.db2.gz MSLROGXOHGUPRB-IJDCCNJMSA-N 2 2 315.486 4.293 20 0 DIADLP CC[N@H+](CC[NH2+]C)Cc1ccccc1-c1ccccc1Cl ZINC001236143655 1054967733 /nfs/dbraw/zinc/96/77/33/1054967733.db2.gz NTIYVMGDKNEVCL-UHFFFAOYSA-N 2 2 302.849 4.048 20 0 DIADLP CC[N@@H+](CC[NH2+]C)Cc1ccccc1-c1ccccc1Cl ZINC001236143655 1054967745 /nfs/dbraw/zinc/96/77/45/1054967745.db2.gz NTIYVMGDKNEVCL-UHFFFAOYSA-N 2 2 302.849 4.048 20 0 DIADLP CCC[N@H+](Cc1c(Cl)cccc1SC)C1CC[NH2+]CC1 ZINC001236184699 1054985141 /nfs/dbraw/zinc/98/51/41/1054985141.db2.gz LXEYZAYNXYTUEH-UHFFFAOYSA-N 2 2 312.910 4.026 20 0 DIADLP CCC[N@@H+](Cc1c(Cl)cccc1SC)C1CC[NH2+]CC1 ZINC001236184699 1054985154 /nfs/dbraw/zinc/98/51/54/1054985154.db2.gz LXEYZAYNXYTUEH-UHFFFAOYSA-N 2 2 312.910 4.026 20 0 DIADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236190865 1054988326 /nfs/dbraw/zinc/98/83/26/1054988326.db2.gz KPIXZLNXXLTSIF-HXUWFJFHSA-N 2 2 316.408 4.381 20 0 DIADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236190865 1054988337 /nfs/dbraw/zinc/98/83/37/1054988337.db2.gz KPIXZLNXXLTSIF-HXUWFJFHSA-N 2 2 316.408 4.381 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215075 1055002800 /nfs/dbraw/zinc/00/28/00/1055002800.db2.gz VSRMEFTZGAYKIX-DLBZAZTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215075 1055002812 /nfs/dbraw/zinc/00/28/12/1055002812.db2.gz VSRMEFTZGAYKIX-DLBZAZTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217348 1055005713 /nfs/dbraw/zinc/00/57/13/1055005713.db2.gz OIVHMAKZVCHDSD-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217348 1055005724 /nfs/dbraw/zinc/00/57/24/1055005724.db2.gz OIVHMAKZVCHDSD-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1sc(Cl)c2ccccc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218071 1055006532 /nfs/dbraw/zinc/00/65/32/1055006532.db2.gz RIPHWWGEKJABFP-ZIAGYGMSSA-N 2 2 308.878 4.256 20 0 DIADLP C[N@@H+](Cc1sc(Cl)c2ccccc21)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218071 1055006547 /nfs/dbraw/zinc/00/65/47/1055006547.db2.gz RIPHWWGEKJABFP-ZIAGYGMSSA-N 2 2 308.878 4.256 20 0 DIADLP C[N@H+](Cc1cccc(SC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218940 1055008066 /nfs/dbraw/zinc/00/80/66/1055008066.db2.gz TWJVJEWYOKXAIJ-ZIAGYGMSSA-N 2 2 318.408 4.000 20 0 DIADLP C[N@@H+](Cc1cccc(SC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218940 1055008080 /nfs/dbraw/zinc/00/80/80/1055008080.db2.gz TWJVJEWYOKXAIJ-ZIAGYGMSSA-N 2 2 318.408 4.000 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218668 1055010542 /nfs/dbraw/zinc/01/05/42/1055010542.db2.gz STPZPFXNNJXLLM-WOJBJXKFSA-N 2 2 324.468 4.064 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218668 1055010554 /nfs/dbraw/zinc/01/05/54/1055010554.db2.gz STPZPFXNNJXLLM-WOJBJXKFSA-N 2 2 324.468 4.064 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218840 1055011274 /nfs/dbraw/zinc/01/12/74/1055011274.db2.gz UENLLELASONRMA-IRXDYDNUSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218840 1055011285 /nfs/dbraw/zinc/01/12/85/1055011285.db2.gz UENLLELASONRMA-IRXDYDNUSA-N 2 2 318.848 4.302 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236238818 1055026847 /nfs/dbraw/zinc/02/68/47/1055026847.db2.gz CSSVQDNHPRXYKH-FQEVSTJZSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236238818 1055026857 /nfs/dbraw/zinc/02/68/57/1055026857.db2.gz CSSVQDNHPRXYKH-FQEVSTJZSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1cc(-c2cccc3[nH+]ccn32)ccc1C[NH+]1CCCCC1 ZINC001236248895 1055031617 /nfs/dbraw/zinc/03/16/17/1055031617.db2.gz KLXZCLLRFINHRC-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001236429378 1055110463 /nfs/dbraw/zinc/11/04/63/1055110463.db2.gz LGWOBYXNUPBSKW-UHFFFAOYSA-N 2 2 309.457 4.094 20 0 DIADLP CC(C)C[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236475657 1055135777 /nfs/dbraw/zinc/13/57/77/1055135777.db2.gz RLVKAAAAYFWKGL-QGZVFWFLSA-N 2 2 319.880 4.031 20 0 DIADLP CC(C)C[N@@H+](Cc1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236475657 1055135784 /nfs/dbraw/zinc/13/57/84/1055135784.db2.gz RLVKAAAAYFWKGL-QGZVFWFLSA-N 2 2 319.880 4.031 20 0 DIADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001236895586 1055305309 /nfs/dbraw/zinc/30/53/09/1055305309.db2.gz TVFPHKKYGWMNSB-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001236895586 1055305328 /nfs/dbraw/zinc/30/53/28/1055305328.db2.gz TVFPHKKYGWMNSB-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC12CCCCC2 ZINC001236912991 1055309240 /nfs/dbraw/zinc/30/92/40/1055309240.db2.gz FYJKMWJDYKUAIT-UHFFFAOYSA-N 2 2 315.848 4.434 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC12CCCCC2 ZINC001236912991 1055309259 /nfs/dbraw/zinc/30/92/59/1055309259.db2.gz FYJKMWJDYKUAIT-UHFFFAOYSA-N 2 2 315.848 4.434 20 0 DIADLP Clc1cc(C[N@@H+]2CCCC3(CCC3)C2)ccc1-n1cc[nH+]c1 ZINC001236908219 1055310345 /nfs/dbraw/zinc/31/03/45/1055310345.db2.gz DWZUPTPQAVFBQD-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@H]1CC1(C)C ZINC001236912877 1055310716 /nfs/dbraw/zinc/31/07/16/1055310716.db2.gz YGGWIPJBSHVJFH-CQSZACIVSA-N 2 2 303.837 4.004 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@H]1CC1(C)C ZINC001236912877 1055310729 /nfs/dbraw/zinc/31/07/29/1055310729.db2.gz YGGWIPJBSHVJFH-CQSZACIVSA-N 2 2 303.837 4.004 20 0 DIADLP Clc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906742 1055312174 /nfs/dbraw/zinc/31/21/74/1055312174.db2.gz MNJOLOKDWMBBTD-HZPDHXFCSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906742 1055312194 /nfs/dbraw/zinc/31/21/94/1055312194.db2.gz MNJOLOKDWMBBTD-HZPDHXFCSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906738 1055312328 /nfs/dbraw/zinc/31/23/28/1055312328.db2.gz MNJOLOKDWMBBTD-CVEARBPZSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906738 1055312344 /nfs/dbraw/zinc/31/23/44/1055312344.db2.gz MNJOLOKDWMBBTD-CVEARBPZSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001236917141 1055314425 /nfs/dbraw/zinc/31/44/25/1055314425.db2.gz RJWNDTMUCXGGGB-KDOFPFPSSA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001236917141 1055314443 /nfs/dbraw/zinc/31/44/43/1055314443.db2.gz RJWNDTMUCXGGGB-KDOFPFPSSA-N 2 2 315.848 4.290 20 0 DIADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CC1 ZINC001236914577 1055316686 /nfs/dbraw/zinc/31/66/86/1055316686.db2.gz YIFXEYSZIDRSOT-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CC1 ZINC001236914577 1055316702 /nfs/dbraw/zinc/31/67/02/1055316702.db2.gz YIFXEYSZIDRSOT-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915944 1055317149 /nfs/dbraw/zinc/31/71/49/1055317149.db2.gz JDVLDRZPHJQTRB-KBPBESRZSA-N 2 2 303.837 4.004 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001236917144 1055319017 /nfs/dbraw/zinc/31/90/17/1055319017.db2.gz RJWNDTMUCXGGGB-KSSFIOAISA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001236917144 1055319032 /nfs/dbraw/zinc/31/90/32/1055319032.db2.gz RJWNDTMUCXGGGB-KSSFIOAISA-N 2 2 315.848 4.290 20 0 DIADLP C[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914385 1055319080 /nfs/dbraw/zinc/31/90/80/1055319080.db2.gz VHTPMBVGEHSVPL-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914385 1055319098 /nfs/dbraw/zinc/31/90/98/1055319098.db2.gz VHTPMBVGEHSVPL-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP c1sc2ccccc2c1C1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC001236950297 1055320099 /nfs/dbraw/zinc/32/00/99/1055320099.db2.gz LQCADUWIPIIMNZ-MRXNPFEDSA-N 2 2 314.498 4.223 20 0 DIADLP c1sc2ccccc2c1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154107 1055386910 /nfs/dbraw/zinc/38/69/10/1055386910.db2.gz JHEYPGJAWFJGDL-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP c1sc2ccccc2c1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154107 1055386922 /nfs/dbraw/zinc/38/69/22/1055386922.db2.gz JHEYPGJAWFJGDL-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP c1cc2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2s1 ZINC001237158497 1055388443 /nfs/dbraw/zinc/38/84/43/1055388443.db2.gz YVWGTYTVTTZYPY-KRWDZBQOSA-N 2 2 300.471 4.008 20 0 DIADLP c1cc2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2s1 ZINC001237158497 1055388457 /nfs/dbraw/zinc/38/84/57/1055388457.db2.gz YVWGTYTVTTZYPY-KRWDZBQOSA-N 2 2 300.471 4.008 20 0 DIADLP c1c2ccccc2sc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155459 1055388617 /nfs/dbraw/zinc/38/86/17/1055388617.db2.gz PZCJFGQUUBQDPY-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP c1c2ccccc2sc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155459 1055388631 /nfs/dbraw/zinc/38/86/31/1055388631.db2.gz PZCJFGQUUBQDPY-MRXNPFEDSA-N 2 2 300.471 4.008 20 0 DIADLP c1cc2cccc(C[N@@H+]3Cc4ccccc4C34CC[NH2+]CC4)c2o1 ZINC001237310787 1055424051 /nfs/dbraw/zinc/42/40/51/1055424051.db2.gz LXUGLEKMQRBHDY-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP c1cc2cccc(C[N@H+]3Cc4ccccc4C34CC[NH2+]CC4)c2o1 ZINC001237310787 1055424056 /nfs/dbraw/zinc/42/40/56/1055424056.db2.gz LXUGLEKMQRBHDY-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP CCc1cccc(C)c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237333529 1055432211 /nfs/dbraw/zinc/43/22/11/1055432211.db2.gz NDTOGZGBHDSPQJ-UHFFFAOYSA-N 2 2 314.517 4.396 20 0 DIADLP CCc1cccc(C)c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237333529 1055432221 /nfs/dbraw/zinc/43/22/21/1055432221.db2.gz NDTOGZGBHDSPQJ-UHFFFAOYSA-N 2 2 314.517 4.396 20 0 DIADLP CSc1ccccc1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237364650 1055442309 /nfs/dbraw/zinc/44/23/09/1055442309.db2.gz YCVBWNUSRNGVRL-UHFFFAOYSA-N 2 2 324.493 4.003 20 0 DIADLP Cc1cc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc(C)c1F ZINC001237363303 1055442378 /nfs/dbraw/zinc/44/23/78/1055442378.db2.gz JFVPMYPVPFPZIV-UHFFFAOYSA-N 2 2 324.443 4.037 20 0 DIADLP Clc1sc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237413957 1055451284 /nfs/dbraw/zinc/45/12/84/1055451284.db2.gz LCNKBJFMTYMAFO-WFASDCNBSA-N 2 2 320.889 4.129 20 0 DIADLP Clc1sc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237413957 1055451290 /nfs/dbraw/zinc/45/12/90/1055451290.db2.gz LCNKBJFMTYMAFO-WFASDCNBSA-N 2 2 320.889 4.129 20 0 DIADLP Clc1sc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237413951 1055451500 /nfs/dbraw/zinc/45/15/00/1055451500.db2.gz LCNKBJFMTYMAFO-DOMZBBRYSA-N 2 2 320.889 4.129 20 0 DIADLP Clc1sc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc12 ZINC001237413951 1055451507 /nfs/dbraw/zinc/45/15/07/1055451507.db2.gz LCNKBJFMTYMAFO-DOMZBBRYSA-N 2 2 320.889 4.129 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)c1C ZINC001237583494 1055478527 /nfs/dbraw/zinc/47/85/27/1055478527.db2.gz JRBHEHFMKSIRIF-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)c1C ZINC001237583494 1055478530 /nfs/dbraw/zinc/47/85/30/1055478530.db2.gz JRBHEHFMKSIRIF-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001620868523 1055495677 /nfs/dbraw/zinc/49/56/77/1055495677.db2.gz GHRLKFKCYUSQCB-WWNBULGVSA-N 2 2 315.505 4.021 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001620868524 1055496810 /nfs/dbraw/zinc/49/68/10/1055496810.db2.gz GHRLKFKCYUSQCB-YZLZLFLDSA-N 2 2 315.505 4.021 20 0 DIADLP Clc1cscc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001620890556 1055515652 /nfs/dbraw/zinc/51/56/52/1055515652.db2.gz SIWSAKHEHJUNOY-UHFFFAOYSA-N 2 2 312.910 4.146 20 0 DIADLP C[C@H]([NH2+]C/C=C\c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890402 1055516090 /nfs/dbraw/zinc/51/60/90/1055516090.db2.gz LSFMZBXTQBVLNS-IMMZDGJCSA-N 2 2 321.399 4.375 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000387201226 1055549441 /nfs/dbraw/zinc/54/94/41/1055549441.db2.gz DKMVNAZPLNTLCI-IHRRRGAJSA-N 2 2 317.399 4.009 20 0 DIADLP Clc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113830 1055608921 /nfs/dbraw/zinc/60/89/21/1055608921.db2.gz MUALWNTXNOWOQS-SFHVURJKSA-N 2 2 311.816 4.325 20 0 DIADLP Clc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238113830 1055608924 /nfs/dbraw/zinc/60/89/24/1055608924.db2.gz MUALWNTXNOWOQS-SFHVURJKSA-N 2 2 311.816 4.325 20 0 DIADLP C[N@H+](Cc1ccc2ccccc2c1)Cc1cccc2c[nH+]cn21 ZINC001238109689 1055609925 /nfs/dbraw/zinc/60/99/25/1055609925.db2.gz ITVPILJHBDQCKD-UHFFFAOYSA-N 2 2 301.393 4.120 20 0 DIADLP C[N@@H+](Cc1ccc2ccccc2c1)Cc1cccc2c[nH+]cn21 ZINC001238109689 1055609946 /nfs/dbraw/zinc/60/99/46/1055609946.db2.gz ITVPILJHBDQCKD-UHFFFAOYSA-N 2 2 301.393 4.120 20 0 DIADLP C[N@H+](C/C=C\c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000038155345 1055665108 /nfs/dbraw/zinc/66/51/08/1055665108.db2.gz YRTVIZSNPPJZLP-JYRVWZFOSA-N 2 2 320.480 4.296 20 0 DIADLP C[N@@H+](C/C=C\c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000038155345 1055665116 /nfs/dbraw/zinc/66/51/16/1055665116.db2.gz YRTVIZSNPPJZLP-JYRVWZFOSA-N 2 2 320.480 4.296 20 0 DIADLP Cc1cc([NH2+]CC(C(C)C)C(C)C)ccc1OCC[NH+](C)C ZINC001620965848 1055684447 /nfs/dbraw/zinc/68/44/47/1055684447.db2.gz WOOQUCNKMMGEJF-UHFFFAOYSA-N 2 2 306.494 4.276 20 0 DIADLP Cc1cccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000060832393 1055851410 /nfs/dbraw/zinc/85/14/10/1055851410.db2.gz PBABNMZXZPJSFX-OAQYLSRUSA-N 2 2 308.469 4.230 20 0 DIADLP CCC1CCC([N@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)CC1 ZINC000347620025 1055894638 /nfs/dbraw/zinc/89/46/38/1055894638.db2.gz XNLYIFBEWQRRFL-UHFFFAOYSA-N 2 2 321.534 4.138 20 0 DIADLP CCC1CCC([N@@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)CC1 ZINC000347620025 1055894645 /nfs/dbraw/zinc/89/46/45/1055894645.db2.gz XNLYIFBEWQRRFL-UHFFFAOYSA-N 2 2 321.534 4.138 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccco2)C1 ZINC001615651213 1055928476 /nfs/dbraw/zinc/92/84/76/1055928476.db2.gz YUPXTASUXJJTCY-APWZRJJASA-N 2 2 321.424 4.439 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccco2)C1 ZINC001615651213 1055928487 /nfs/dbraw/zinc/92/84/87/1055928487.db2.gz YUPXTASUXJJTCY-APWZRJJASA-N 2 2 321.424 4.439 20 0 DIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC001620997854 1055967357 /nfs/dbraw/zinc/96/73/57/1055967357.db2.gz AYWJXPFNMBBVMG-UHFFFAOYSA-N 2 2 323.465 4.166 20 0 DIADLP CC(C)C[C@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)[NH+](C)C ZINC000474487364 1056318316 /nfs/dbraw/zinc/31/83/16/1056318316.db2.gz JXDJNDCFVHVYKM-PRLABOORSA-N 2 2 322.459 4.310 20 0 DIADLP CCC1([NH+](C)C)CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC001612699797 1056320800 /nfs/dbraw/zinc/32/08/00/1056320800.db2.gz ANWASRAGBQKMQR-UHFFFAOYSA-N 2 2 318.509 4.034 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713461 1056339477 /nfs/dbraw/zinc/33/94/77/1056339477.db2.gz XFTUQHIZPGKHEV-PRLABOORSA-N 2 2 320.443 4.208 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713461 1056339492 /nfs/dbraw/zinc/33/94/92/1056339492.db2.gz XFTUQHIZPGKHEV-PRLABOORSA-N 2 2 320.443 4.208 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3C3CCCCC3)cc2)c[nH+]1 ZINC001615194534 1056474377 /nfs/dbraw/zinc/47/43/77/1056474377.db2.gz DYUPFNVOWDBNCG-HXUWFJFHSA-N 2 2 309.457 4.417 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)cc2)c[nH+]1 ZINC001615194534 1056474365 /nfs/dbraw/zinc/47/43/65/1056474365.db2.gz DYUPFNVOWDBNCG-HXUWFJFHSA-N 2 2 309.457 4.417 20 0 DIADLP CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001615531153 1056530253 /nfs/dbraw/zinc/53/02/53/1056530253.db2.gz JWKCPLWICRNJPE-NRFANRHFSA-N 2 2 317.436 4.382 20 0 DIADLP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001615531153 1056530267 /nfs/dbraw/zinc/53/02/67/1056530267.db2.gz JWKCPLWICRNJPE-NRFANRHFSA-N 2 2 317.436 4.382 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC001615563672 1056535817 /nfs/dbraw/zinc/53/58/17/1056535817.db2.gz WWILQMITHBFLEL-HLIPFELVSA-N 2 2 309.457 4.334 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC001615563672 1056535825 /nfs/dbraw/zinc/53/58/25/1056535825.db2.gz WWILQMITHBFLEL-HLIPFELVSA-N 2 2 309.457 4.334 20 0 DIADLP Clc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCCCC2)c1 ZINC001616745810 1056710131 /nfs/dbraw/zinc/71/01/31/1056710131.db2.gz LMYFIWZRZONWAP-GOSISDBHSA-N 2 2 317.864 4.448 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4ccccc4c3)cc2)C1 ZINC001240910437 1056755047 /nfs/dbraw/zinc/75/50/47/1056755047.db2.gz AVWGIOXXYFAAIB-OAQYLSRUSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4ccccc4c3)cc2)C1 ZINC001240910437 1056755053 /nfs/dbraw/zinc/75/50/53/1056755053.db2.gz AVWGIOXXYFAAIB-OAQYLSRUSA-N 2 2 302.421 4.040 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c2ccccc12 ZINC001241006053 1056810573 /nfs/dbraw/zinc/81/05/73/1056810573.db2.gz CLAVYZJZXGCWQG-IBGZPJMESA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c2ccccc12 ZINC001241006053 1056810588 /nfs/dbraw/zinc/81/05/88/1056810588.db2.gz CLAVYZJZXGCWQG-IBGZPJMESA-N 2 2 316.448 4.348 20 0 DIADLP CCCCOc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241020819 1056822580 /nfs/dbraw/zinc/82/25/80/1056822580.db2.gz ADUYIGZPINREKV-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241020819 1056822588 /nfs/dbraw/zinc/82/25/88/1056822588.db2.gz ADUYIGZPINREKV-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP C[C@@H]([NH2+]Cc1cscc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766057389 1057193775 /nfs/dbraw/zinc/19/37/75/1057193775.db2.gz OYACUMLJILMSEC-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)c3ccccc32)C1 ZINC001241903784 1057206433 /nfs/dbraw/zinc/20/64/33/1057206433.db2.gz OQNRFATXDLQDAS-MRXNPFEDSA-N 2 2 320.411 4.179 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)c3ccccc32)C1 ZINC001241903784 1057206437 /nfs/dbraw/zinc/20/64/37/1057206437.db2.gz OQNRFATXDLQDAS-MRXNPFEDSA-N 2 2 320.411 4.179 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)c3ccccc32)C1 ZINC001241903783 1057206480 /nfs/dbraw/zinc/20/64/80/1057206480.db2.gz OQNRFATXDLQDAS-INIZCTEOSA-N 2 2 320.411 4.179 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)c3ccccc32)C1 ZINC001241903783 1057206482 /nfs/dbraw/zinc/20/64/82/1057206482.db2.gz OQNRFATXDLQDAS-INIZCTEOSA-N 2 2 320.411 4.179 20 0 DIADLP Cc1cc(-c2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)cc(C)[nH+]1 ZINC001241992446 1057232540 /nfs/dbraw/zinc/23/25/40/1057232540.db2.gz OAYHHWNQZWVEEV-GOSISDBHSA-N 2 2 320.440 4.030 20 0 DIADLP Cc1cc(-c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)cc(C)[nH+]1 ZINC001241993516 1057233570 /nfs/dbraw/zinc/23/35/70/1057233570.db2.gz LMTSFROPGPKFTG-SFHVURJKSA-N 2 2 318.424 4.180 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094327 1057263801 /nfs/dbraw/zinc/26/38/01/1057263801.db2.gz YHKCJNCUYVTADL-UZLBHIALSA-N 2 2 323.484 4.272 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094327 1057263808 /nfs/dbraw/zinc/26/38/08/1057263808.db2.gz YHKCJNCUYVTADL-UZLBHIALSA-N 2 2 323.484 4.272 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2)c[nH+]1 ZINC000675533277 1057385643 /nfs/dbraw/zinc/38/56/43/1057385643.db2.gz VVSNOJSKUVNBRO-GBESFXJTSA-N 2 2 309.457 4.321 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000675731658 1057406238 /nfs/dbraw/zinc/40/62/38/1057406238.db2.gz MTZBBYKSHCZIAP-KRWDZBQOSA-N 2 2 324.468 4.109 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675919902 1057430768 /nfs/dbraw/zinc/43/07/68/1057430768.db2.gz PKERIMQRGOKSEP-FXAWDEMLSA-N 2 2 319.452 4.363 20 0 DIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(F)c1 ZINC000675918296 1057431293 /nfs/dbraw/zinc/43/12/93/1057431293.db2.gz GCRYKJPCGQAOLN-DNVCBOLYSA-N 2 2 323.415 4.194 20 0 DIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918200 1057431330 /nfs/dbraw/zinc/43/13/30/1057431330.db2.gz FAHNBIYJFFKEQJ-VQIMIIECSA-N 2 2 305.425 4.055 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)s1)CCC2 ZINC000676240129 1057458141 /nfs/dbraw/zinc/45/81/41/1057458141.db2.gz ZLYKJNZTHZKCMN-CQSZACIVSA-N 2 2 317.502 4.218 20 0 DIADLP C[NH+]1CCC(c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001243650946 1057743588 /nfs/dbraw/zinc/74/35/88/1057743588.db2.gz CZZZMKZMEXNDMQ-UHFFFAOYSA-N 2 2 317.436 4.349 20 0 DIADLP CCc1cccc(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001278392555 1058071592 /nfs/dbraw/zinc/07/15/92/1058071592.db2.gz HSESBZVWTSSGOS-UHFFFAOYSA-N 2 2 312.501 4.089 20 0 DIADLP CCc1cccc(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001278392555 1058071599 /nfs/dbraw/zinc/07/15/99/1058071599.db2.gz HSESBZVWTSSGOS-UHFFFAOYSA-N 2 2 312.501 4.089 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(C3CCC3)cc2)C1 ZINC001244944980 1058077694 /nfs/dbraw/zinc/07/76/94/1058077694.db2.gz VLJSQPATOLALJY-HXUWFJFHSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C3CCC3)cc2)C1 ZINC001244944980 1058077697 /nfs/dbraw/zinc/07/76/97/1058077697.db2.gz VLJSQPATOLALJY-HXUWFJFHSA-N 2 2 306.453 4.154 20 0 DIADLP CNc1cc(-c2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC001244977076 1058084897 /nfs/dbraw/zinc/08/48/97/1058084897.db2.gz UTJWNGMYRXDXRY-UHFFFAOYSA-N 2 2 315.420 4.306 20 0 DIADLP CNc1cc(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC001244977076 1058084900 /nfs/dbraw/zinc/08/49/00/1058084900.db2.gz UTJWNGMYRXDXRY-UHFFFAOYSA-N 2 2 315.420 4.306 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(C4CCC4)c3)c2)C1 ZINC001244980588 1058085407 /nfs/dbraw/zinc/08/54/07/1058085407.db2.gz FUWMBLPVQWTCIJ-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(C4CCC4)c3)c2)C1 ZINC001244980588 1058085412 /nfs/dbraw/zinc/08/54/12/1058085412.db2.gz FUWMBLPVQWTCIJ-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP c1cn(Cc2ccccc2-c2ccc([C@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001245354970 1058151000 /nfs/dbraw/zinc/15/10/00/1058151000.db2.gz JEGYUTZTUOONNN-HXUWFJFHSA-N 2 2 303.409 4.023 20 0 DIADLP Cn1c[nH+]cc1-c1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1 ZINC001245357494 1058151610 /nfs/dbraw/zinc/15/16/10/1058151610.db2.gz SFFHTMYXLRXMBN-LJQANCHMSA-N 2 2 303.409 4.179 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246074784 1058666812 /nfs/dbraw/zinc/66/68/12/1058666812.db2.gz FMGYLXZCJODFSX-RTXFEEFZSA-N 2 2 301.261 4.175 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246074772 1058667228 /nfs/dbraw/zinc/66/72/28/1058667228.db2.gz QKWRDGRLCVYUNF-CLLJXQQHSA-N 2 2 315.288 4.392 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246078811 1058671582 /nfs/dbraw/zinc/67/15/82/1058671582.db2.gz XDCBUTWSWGPACC-GUYCJALGSA-N 2 2 320.889 4.110 20 0 DIADLP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c1Cl ZINC001246158367 1058702405 /nfs/dbraw/zinc/70/24/05/1058702405.db2.gz JDXBZRHKACMJIS-AWEZNQCLSA-N 2 2 324.871 4.332 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(C)c2Cl)CC[NH2+]1 ZINC001246159251 1058703170 /nfs/dbraw/zinc/70/31/70/1058703170.db2.gz OPSUXBHUVXPEJM-KGLIPLIRSA-N 2 2 312.860 4.188 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(C)c2Cl)CC[NH2+]1 ZINC001246159253 1058704006 /nfs/dbraw/zinc/70/40/06/1058704006.db2.gz OPSUXBHUVXPEJM-ZIAGYGMSSA-N 2 2 312.860 4.188 20 0 DIADLP c1ccc(C[NH2+]CC[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001246165109 1058711132 /nfs/dbraw/zinc/71/11/32/1058711132.db2.gz GAFXRKRGVAZREG-LEWJYISDSA-N 2 2 308.469 4.092 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C[C@H](CC)[NH2+]1 ZINC001246179688 1058721760 /nfs/dbraw/zinc/72/17/60/1058721760.db2.gz RHYQMVDEFRIPIN-IVAOSVALSA-N 2 2 323.484 4.070 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C[C@H](CC)[NH2+]1 ZINC001246179709 1058722427 /nfs/dbraw/zinc/72/24/27/1058722427.db2.gz RHYQMVDEFRIPIN-WOZUAGRISA-N 2 2 323.484 4.070 20 0 DIADLP Fc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246178759 1058724273 /nfs/dbraw/zinc/72/42/73/1058724273.db2.gz JLHNMECKCGZFQE-OAHLLOKOSA-N 2 2 310.844 4.024 20 0 DIADLP Fc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246180934 1058727081 /nfs/dbraw/zinc/72/70/81/1058727081.db2.gz SZEDRICOTGVTMX-WMZOPIPTSA-N 2 2 318.823 4.062 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210066 1058745012 /nfs/dbraw/zinc/74/50/12/1058745012.db2.gz IASDNOZPOUDQCP-CJNGLKHVSA-N 2 2 306.881 4.085 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@@H](CC)[NH2+]1 ZINC001246224759 1058749282 /nfs/dbraw/zinc/74/92/82/1058749282.db2.gz IWRNYVMUAHMRSN-VXGBXAGGSA-N 2 2 316.823 4.017 20 0 DIADLP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC001246254358 1058773830 /nfs/dbraw/zinc/77/38/30/1058773830.db2.gz QAKNOPCQFNVLJZ-NDBYEHHHSA-N 2 2 313.272 4.317 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)c1c(F)cccc1F ZINC001246318291 1058827850 /nfs/dbraw/zinc/82/78/50/1058827850.db2.gz SNSJUCRZENACED-UONOGXRCSA-N 2 2 308.416 4.070 20 0 DIADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc2)cc1 ZINC001246340959 1058850224 /nfs/dbraw/zinc/85/02/24/1058850224.db2.gz WDMMVKIOILTSHL-RTWAWAEBSA-N 2 2 308.469 4.011 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246342323 1058850900 /nfs/dbraw/zinc/85/09/00/1058850900.db2.gz HFHMMRGFCYCUON-IEBWSBKVSA-N 2 2 314.860 4.231 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC[NH2+]1 ZINC001246347440 1058855728 /nfs/dbraw/zinc/85/57/28/1058855728.db2.gz PPMGEGJRQKXPKU-NEPJUHHUSA-N 2 2 321.679 4.267 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c(F)c1F ZINC001246352742 1058866034 /nfs/dbraw/zinc/86/60/34/1058866034.db2.gz UJXBWNDEUZQSGS-KCQAQPDRSA-N 2 2 310.432 4.091 20 0 DIADLP Cc1cccc(C2([NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246409977 1058911985 /nfs/dbraw/zinc/91/19/85/1058911985.db2.gz VQXPSPNDXJYNCQ-NVXWUHKLSA-N 2 2 322.443 4.130 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)CC[NH2+]1 ZINC001246459305 1058943948 /nfs/dbraw/zinc/94/39/48/1058943948.db2.gz SCGUUJLKHAGOPK-VYDXJSESSA-N 2 2 321.896 4.087 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)CC[NH2+]1 ZINC001246459303 1058944642 /nfs/dbraw/zinc/94/46/42/1058944642.db2.gz SCGUUJLKHAGOPK-INMHGKMJSA-N 2 2 321.896 4.087 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)c1c(F)cccc1F ZINC001246469155 1058952028 /nfs/dbraw/zinc/95/20/28/1058952028.db2.gz PGJZYKRFDKWXQA-PBHICJAKSA-N 2 2 322.443 4.460 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001246470132 1058956479 /nfs/dbraw/zinc/95/64/79/1058956479.db2.gz VHVOCRIMHGRFCE-RCBQFDQVSA-N 2 2 310.432 4.172 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H](CC)c2c(F)cccc2F)CC[NH2+]1 ZINC001246469517 1058957676 /nfs/dbraw/zinc/95/76/76/1058957676.db2.gz RDTNSDTWJCLKEL-CPUCHLNUSA-N 2 2 310.432 4.316 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519563 1058981610 /nfs/dbraw/zinc/98/16/10/1058981610.db2.gz OFUOWUMPAAUFLE-QUCCMNQESA-N 2 2 312.432 4.059 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519563 1058981630 /nfs/dbraw/zinc/98/16/30/1058981630.db2.gz OFUOWUMPAAUFLE-QUCCMNQESA-N 2 2 312.432 4.059 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519556 1058984507 /nfs/dbraw/zinc/98/45/07/1058984507.db2.gz OFUOWUMPAAUFLE-AZUAARDMSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001246519556 1058984525 /nfs/dbraw/zinc/98/45/25/1058984525.db2.gz OFUOWUMPAAUFLE-AZUAARDMSA-N 2 2 312.432 4.059 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536175 1058990009 /nfs/dbraw/zinc/99/00/09/1058990009.db2.gz CRLHWSJBCLXAKP-QZTJIDSGSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536175 1058990026 /nfs/dbraw/zinc/99/00/26/1058990026.db2.gz CRLHWSJBCLXAKP-QZTJIDSGSA-N 2 2 306.881 4.009 20 0 DIADLP CC(C)c1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001559120287 1059008028 /nfs/dbraw/zinc/00/80/28/1059008028.db2.gz ABBPNYGOYCBFHE-LSDHHAIUSA-N 2 2 304.482 4.008 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246646534 1059046522 /nfs/dbraw/zinc/04/65/22/1059046522.db2.gz NSJYYNILRSVTMX-HSQYWUDLSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246646534 1059046542 /nfs/dbraw/zinc/04/65/42/1059046542.db2.gz NSJYYNILRSVTMX-HSQYWUDLSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246646538 1059050949 /nfs/dbraw/zinc/05/09/49/1059050949.db2.gz NSJYYNILRSVTMX-WTNAPCKOSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246646538 1059050970 /nfs/dbraw/zinc/05/09/70/1059050970.db2.gz NSJYYNILRSVTMX-WTNAPCKOSA-N 2 2 320.480 4.033 20 0 DIADLP CCN(CCC[NH+](CC)CC)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001559168654 1059054811 /nfs/dbraw/zinc/05/48/11/1059054811.db2.gz WQOPONUYVKXCGO-UHFFFAOYSA-N 2 2 320.525 4.282 20 0 DIADLP C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C[NH2+]1 ZINC001246789595 1059089589 /nfs/dbraw/zinc/08/95/89/1059089589.db2.gz CMWULEIXJDGEKK-IERDGZPVSA-N 2 2 308.469 4.160 20 0 DIADLP CC(C)c1cc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)nc(C(C)C)[nH+]1 ZINC001559236367 1059110536 /nfs/dbraw/zinc/11/05/36/1059110536.db2.gz GGLJEIXZJGMZIW-CVEARBPZSA-N 2 2 316.493 4.008 20 0 DIADLP CC(C)c1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001559234946 1059110772 /nfs/dbraw/zinc/11/07/72/1059110772.db2.gz HNCQOJWWNCEDSK-OAHLLOKOSA-N 2 2 318.509 4.256 20 0 DIADLP CC(C)c1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001559234946 1059110780 /nfs/dbraw/zinc/11/07/80/1059110780.db2.gz HNCQOJWWNCEDSK-OAHLLOKOSA-N 2 2 318.509 4.256 20 0 DIADLP C[C@H]1CC([N@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[C@H](C)C1 ZINC001246835752 1059113839 /nfs/dbraw/zinc/11/38/39/1059113839.db2.gz UPSCALFNDRZECR-XNFNUYLZSA-N 2 2 318.480 4.013 20 0 DIADLP C[C@H]1CC([N@@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[C@H](C)C1 ZINC001246835752 1059113850 /nfs/dbraw/zinc/11/38/50/1059113850.db2.gz UPSCALFNDRZECR-XNFNUYLZSA-N 2 2 318.480 4.013 20 0 DIADLP C[C@H]1C[C@H]([N@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[C@@H](C)C1 ZINC001246835749 1059115300 /nfs/dbraw/zinc/11/53/00/1059115300.db2.gz UPSCALFNDRZECR-MEBIHWHUSA-N 2 2 318.480 4.013 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[C@@H](C)C1 ZINC001246835749 1059115309 /nfs/dbraw/zinc/11/53/09/1059115309.db2.gz UPSCALFNDRZECR-MEBIHWHUSA-N 2 2 318.480 4.013 20 0 DIADLP CCCC(CCC)[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001246832747 1059115835 /nfs/dbraw/zinc/11/58/35/1059115835.db2.gz IKVWOICRPYOZAN-RTBURBONSA-N 2 2 306.469 4.157 20 0 DIADLP CCCC(CCC)[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001246832747 1059115840 /nfs/dbraw/zinc/11/58/40/1059115840.db2.gz IKVWOICRPYOZAN-RTBURBONSA-N 2 2 306.469 4.157 20 0 DIADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246827833 1059115943 /nfs/dbraw/zinc/11/59/43/1059115943.db2.gz RYVPMJJUCYPVJY-KGLIPLIRSA-N 2 2 318.427 4.091 20 0 DIADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246827833 1059115947 /nfs/dbraw/zinc/11/59/47/1059115947.db2.gz RYVPMJJUCYPVJY-KGLIPLIRSA-N 2 2 318.427 4.091 20 0 DIADLP Clc1cccc2c1C[N@@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246869681 1059142395 /nfs/dbraw/zinc/14/23/95/1059142395.db2.gz HJPVHXBGKWYZSE-INIZCTEOSA-N 2 2 318.892 4.153 20 0 DIADLP Clc1cccc2c1C[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246869681 1059142409 /nfs/dbraw/zinc/14/24/09/1059142409.db2.gz HJPVHXBGKWYZSE-INIZCTEOSA-N 2 2 318.892 4.153 20 0 DIADLP Clc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246867998 1059142627 /nfs/dbraw/zinc/14/26/27/1059142627.db2.gz MDZSQZSNNFCWRE-APWZRJJASA-N 2 2 312.844 4.149 20 0 DIADLP Clc1cccc2c1C[N@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246867998 1059142642 /nfs/dbraw/zinc/14/26/42/1059142642.db2.gz MDZSQZSNNFCWRE-APWZRJJASA-N 2 2 312.844 4.149 20 0 DIADLP C[C@H]1CC[C@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879347 1059146535 /nfs/dbraw/zinc/14/65/35/1059146535.db2.gz MDKLBBJEQOJCSO-FVFSHSICSA-N 2 2 318.464 4.003 20 0 DIADLP C[C@H]1CC[C@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879347 1059146543 /nfs/dbraw/zinc/14/65/43/1059146543.db2.gz MDKLBBJEQOJCSO-FVFSHSICSA-N 2 2 318.464 4.003 20 0 DIADLP C[C@H]1CC[C@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246877240 1059147190 /nfs/dbraw/zinc/14/71/90/1059147190.db2.gz AOGQLFABBIDUFT-ZFWWWQNUSA-N 2 2 324.921 4.037 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901896 1059164451 /nfs/dbraw/zinc/16/44/51/1059164451.db2.gz PMWVXVLPLAMKNS-COXVUDFISA-N 2 2 322.443 4.268 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901896 1059164456 /nfs/dbraw/zinc/16/44/56/1059164456.db2.gz PMWVXVLPLAMKNS-COXVUDFISA-N 2 2 322.443 4.268 20 0 DIADLP CC[C@H]1CC([N@H+](CC)Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246906743 1059167468 /nfs/dbraw/zinc/16/74/68/1059167468.db2.gz GKZBCKQNZRYDBK-GJZGRUSLSA-N 2 2 310.432 4.096 20 0 DIADLP CC[C@H]1CC([N@@H+](CC)Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246906743 1059167472 /nfs/dbraw/zinc/16/74/72/1059167472.db2.gz GKZBCKQNZRYDBK-GJZGRUSLSA-N 2 2 310.432 4.096 20 0 DIADLP CC[C@@H]1C[C@@H]([N@H+](CC)Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246906747 1059167567 /nfs/dbraw/zinc/16/75/67/1059167567.db2.gz GKZBCKQNZRYDBK-MUJYYYPQSA-N 2 2 310.432 4.096 20 0 DIADLP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246906747 1059167571 /nfs/dbraw/zinc/16/75/71/1059167571.db2.gz GKZBCKQNZRYDBK-MUJYYYPQSA-N 2 2 310.432 4.096 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+](C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246905748 1059167657 /nfs/dbraw/zinc/16/76/57/1059167657.db2.gz BFFDWJAMXHZUMG-CPUCHLNUSA-N 2 2 308.897 4.500 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246905748 1059167661 /nfs/dbraw/zinc/16/76/61/1059167661.db2.gz BFFDWJAMXHZUMG-CPUCHLNUSA-N 2 2 308.897 4.500 20 0 DIADLP CCCCC[C@@H](CCC)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246945274 1059188766 /nfs/dbraw/zinc/18/87/66/1059188766.db2.gz FWHLFAIIGVGBSF-WOJBJXKFSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@@H](CCC)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246945274 1059188781 /nfs/dbraw/zinc/18/87/81/1059188781.db2.gz FWHLFAIIGVGBSF-WOJBJXKFSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@@H](CCC)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964189 1059203922 /nfs/dbraw/zinc/20/39/22/1059203922.db2.gz QSOULBFYIDLOJN-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@@H](CCC)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246964189 1059203939 /nfs/dbraw/zinc/20/39/39/1059203939.db2.gz QSOULBFYIDLOJN-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CC(C)CC[C@@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960803 1059206807 /nfs/dbraw/zinc/20/68/07/1059206807.db2.gz CGIMPXWIPITMGA-OAHLLOKOSA-N 2 2 324.459 4.344 20 0 DIADLP CC(C)CC[C@@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960803 1059206826 /nfs/dbraw/zinc/20/68/26/1059206826.db2.gz CGIMPXWIPITMGA-OAHLLOKOSA-N 2 2 324.459 4.344 20 0 DIADLP CC(C)CC(CC(C)C)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246960197 1059208851 /nfs/dbraw/zinc/20/88/51/1059208851.db2.gz FYUSDVHHFHPORP-IBGZPJMESA-N 2 2 317.521 4.096 20 0 DIADLP CC(C)CC(CC(C)C)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246960197 1059208868 /nfs/dbraw/zinc/20/88/68/1059208868.db2.gz FYUSDVHHFHPORP-IBGZPJMESA-N 2 2 317.521 4.096 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001559567413 1059390128 /nfs/dbraw/zinc/39/01/28/1059390128.db2.gz CHKZGEOKDFTCNW-KBPBESRZSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001559567413 1059390147 /nfs/dbraw/zinc/39/01/47/1059390147.db2.gz CHKZGEOKDFTCNW-KBPBESRZSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001559567413 1059390169 /nfs/dbraw/zinc/39/01/69/1059390169.db2.gz CHKZGEOKDFTCNW-KBPBESRZSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001559567413 1059390192 /nfs/dbraw/zinc/39/01/92/1059390192.db2.gz CHKZGEOKDFTCNW-KBPBESRZSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001559567414 1059393947 /nfs/dbraw/zinc/39/39/47/1059393947.db2.gz CHKZGEOKDFTCNW-KGLIPLIRSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001559567414 1059393966 /nfs/dbraw/zinc/39/39/66/1059393966.db2.gz CHKZGEOKDFTCNW-KGLIPLIRSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001559567414 1059393985 /nfs/dbraw/zinc/39/39/85/1059393985.db2.gz CHKZGEOKDFTCNW-KGLIPLIRSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001559567414 1059394008 /nfs/dbraw/zinc/39/40/08/1059394008.db2.gz CHKZGEOKDFTCNW-KGLIPLIRSA-N 2 2 312.860 4.346 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC001559645387 1059470897 /nfs/dbraw/zinc/47/08/97/1059470897.db2.gz FTKIHFBBGMDQOD-PMACEKPBSA-N 2 2 300.490 4.380 20 0 DIADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC001559645387 1059470909 /nfs/dbraw/zinc/47/09/09/1059470909.db2.gz FTKIHFBBGMDQOD-PMACEKPBSA-N 2 2 300.490 4.380 20 0 DIADLP CC(C)(C)c1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001559720405 1059551549 /nfs/dbraw/zinc/55/15/49/1059551549.db2.gz YFJSLGJBRRWQHO-UHFFFAOYSA-N 2 2 323.484 4.456 20 0 DIADLP Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001559724270 1059555312 /nfs/dbraw/zinc/55/53/12/1059555312.db2.gz SZZSBJSDQAAYHA-JKSUJKDBSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001559724270 1059555327 /nfs/dbraw/zinc/55/53/27/1059555327.db2.gz SZZSBJSDQAAYHA-JKSUJKDBSA-N 2 2 314.395 4.062 20 0 DIADLP C[C@H]1CCC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC001559744714 1059576982 /nfs/dbraw/zinc/57/69/82/1059576982.db2.gz VAMNPADGIXLODW-HKUYNNGSSA-N 2 2 303.494 4.202 20 0 DIADLP CCc1[nH+]ccc(C)c1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001248413723 1059819128 /nfs/dbraw/zinc/81/91/28/1059819128.db2.gz DTMHNJUECIAHPT-UHFFFAOYSA-N 2 2 313.445 4.027 20 0 DIADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)CC1 ZINC001560069469 1059881507 /nfs/dbraw/zinc/88/15/07/1059881507.db2.gz SZFIEWHLKCLZGB-KRWDZBQOSA-N 2 2 322.443 4.051 20 0 DIADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)CC1 ZINC001560069469 1059881529 /nfs/dbraw/zinc/88/15/29/1059881529.db2.gz SZFIEWHLKCLZGB-KRWDZBQOSA-N 2 2 322.443 4.051 20 0 DIADLP CC1(C)[C@@H](c2ccccc2Cl)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001560102121 1059909961 /nfs/dbraw/zinc/90/99/61/1059909961.db2.gz FBHDTRSRWJMOLU-MRXNPFEDSA-N 2 2 317.864 4.195 20 0 DIADLP CC1(C)[C@@H](c2ccccc2Cl)CC[N@H+]1CCCn1cc[nH+]c1 ZINC001560102121 1059909978 /nfs/dbraw/zinc/90/99/78/1059909978.db2.gz FBHDTRSRWJMOLU-MRXNPFEDSA-N 2 2 317.864 4.195 20 0 DIADLP CC1(C)[C@H](c2ccccc2Cl)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC001560102120 1059912113 /nfs/dbraw/zinc/91/21/13/1059912113.db2.gz FBHDTRSRWJMOLU-INIZCTEOSA-N 2 2 317.864 4.195 20 0 DIADLP CC1(C)[C@H](c2ccccc2Cl)CC[N@H+]1CCCn1cc[nH+]c1 ZINC001560102120 1059912131 /nfs/dbraw/zinc/91/21/31/1059912131.db2.gz FBHDTRSRWJMOLU-INIZCTEOSA-N 2 2 317.864 4.195 20 0 DIADLP C(=C\c1ccccc1)\C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001560249274 1060017247 /nfs/dbraw/zinc/01/72/47/1060017247.db2.gz YBSGEPAWLWHMHC-ZDKIGPTLSA-N 2 2 306.453 4.127 20 0 DIADLP CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001560290310 1060070216 /nfs/dbraw/zinc/07/02/16/1060070216.db2.gz UJBQCVGRTGOEKK-MRXNPFEDSA-N 2 2 315.436 4.317 20 0 DIADLP CC1CCC(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560292172 1060074022 /nfs/dbraw/zinc/07/40/22/1060074022.db2.gz BIFQBZIEQVIGRX-QLOJAFMTSA-N 2 2 314.517 4.455 20 0 DIADLP CC1CCC(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560292172 1060074041 /nfs/dbraw/zinc/07/40/41/1060074041.db2.gz BIFQBZIEQVIGRX-QLOJAFMTSA-N 2 2 314.517 4.455 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C3CCC(C4CCC4)CC3)cc2)c[nH+]1 ZINC001560301003 1060086694 /nfs/dbraw/zinc/08/66/94/1060086694.db2.gz FNMHDNDELVUSEB-UHFFFAOYSA-N 2 2 309.457 4.321 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001560535123 1060341094 /nfs/dbraw/zinc/34/10/94/1060341094.db2.gz HTJVLMNGOLBDHX-HXUWFJFHSA-N 2 2 314.517 4.481 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001560535123 1060341115 /nfs/dbraw/zinc/34/11/15/1060341115.db2.gz HTJVLMNGOLBDHX-HXUWFJFHSA-N 2 2 314.517 4.481 20 0 DIADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001560837341 1060693204 /nfs/dbraw/zinc/69/32/04/1060693204.db2.gz OQNIAKBAUSTLQX-GHJWDPDVSA-N 2 2 315.288 4.169 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]1C ZINC001560851749 1060709834 /nfs/dbraw/zinc/70/98/34/1060709834.db2.gz CBEUCLANEDMOSJ-CPUCHLNUSA-N 2 2 317.864 4.440 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001560929285 1060791993 /nfs/dbraw/zinc/79/19/93/1060791993.db2.gz UCENQUDYIVVHKE-KEYYUXOJSA-N 2 2 308.897 4.294 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC001560929285 1060792004 /nfs/dbraw/zinc/79/20/04/1060792004.db2.gz UCENQUDYIVVHKE-KEYYUXOJSA-N 2 2 308.897 4.294 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929283 1060792108 /nfs/dbraw/zinc/79/21/08/1060792108.db2.gz UCENQUDYIVVHKE-GRDNDAEWSA-N 2 2 308.897 4.294 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929283 1060792126 /nfs/dbraw/zinc/79/21/26/1060792126.db2.gz UCENQUDYIVVHKE-GRDNDAEWSA-N 2 2 308.897 4.294 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001560930029 1060793377 /nfs/dbraw/zinc/79/33/77/1060793377.db2.gz PWTPKSTVRZBDBB-TYPHKJRUSA-N 2 2 314.517 4.108 20 0 DIADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC001560965837 1060830615 /nfs/dbraw/zinc/83/06/15/1060830615.db2.gz CKJIIEHKQICMSV-ACRUOGEOSA-N 2 2 312.501 4.209 20 0 DIADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC001560965837 1060830631 /nfs/dbraw/zinc/83/06/31/1060830631.db2.gz CKJIIEHKQICMSV-ACRUOGEOSA-N 2 2 312.501 4.209 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCCC2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001560970047 1060834115 /nfs/dbraw/zinc/83/41/15/1060834115.db2.gz ILVHWOJDLLIQBP-YLJYHZDGSA-N 2 2 300.490 4.067 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCCC2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001560970047 1060834128 /nfs/dbraw/zinc/83/41/28/1060834128.db2.gz ILVHWOJDLLIQBP-YLJYHZDGSA-N 2 2 300.490 4.067 20 0 DIADLP c1cn(C[C@H]([NH2+]C2CCC3(CCC3)CC2)c2ccccc2)c[nH+]1 ZINC001560984286 1060847002 /nfs/dbraw/zinc/84/70/02/1060847002.db2.gz VJNBUGVLJGYNHW-IBGZPJMESA-N 2 2 309.457 4.327 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c[nH+]c1C ZINC001560986232 1060849576 /nfs/dbraw/zinc/84/95/76/1060849576.db2.gz ZSKAIFCAIHAHNB-LIRRHRJNSA-N 2 2 301.478 4.153 20 0 DIADLP CCC(CC)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001561031930 1060883980 /nfs/dbraw/zinc/88/39/80/1060883980.db2.gz INOMDKYQPLGTRX-FCHUYYIVSA-N 2 2 322.496 4.433 20 0 DIADLP CCC(CC)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001561031930 1060883990 /nfs/dbraw/zinc/88/39/90/1060883990.db2.gz INOMDKYQPLGTRX-FCHUYYIVSA-N 2 2 322.496 4.433 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1ccc(F)c2ccccc12 ZINC001561039106 1060891777 /nfs/dbraw/zinc/89/17/77/1060891777.db2.gz JEDFFVQIEGKZQN-INIZCTEOSA-N 2 2 302.437 4.045 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042832 1060894118 /nfs/dbraw/zinc/89/41/18/1060894118.db2.gz KKJDUUBPEPLHCY-AEFFLSMTSA-N 2 2 320.908 4.298 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042832 1060894126 /nfs/dbraw/zinc/89/41/26/1060894126.db2.gz KKJDUUBPEPLHCY-AEFFLSMTSA-N 2 2 320.908 4.298 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042833 1060894514 /nfs/dbraw/zinc/89/45/14/1060894514.db2.gz KKJDUUBPEPLHCY-FUHWJXTLSA-N 2 2 320.908 4.298 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001561042833 1060894525 /nfs/dbraw/zinc/89/45/25/1060894525.db2.gz KKJDUUBPEPLHCY-FUHWJXTLSA-N 2 2 320.908 4.298 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001462204864 1061022740 /nfs/dbraw/zinc/02/27/40/1061022740.db2.gz WFWZQMCNIIAXCO-RBUKOAKNSA-N 2 2 302.506 4.108 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001462204864 1061022752 /nfs/dbraw/zinc/02/27/52/1061022752.db2.gz WFWZQMCNIIAXCO-RBUKOAKNSA-N 2 2 302.506 4.108 20 0 DIADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC001473286367 1061055660 /nfs/dbraw/zinc/05/56/60/1061055660.db2.gz BWGUORXBWRQWSO-CVEARBPZSA-N 2 2 304.453 4.009 20 0 DIADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCC[NH+]1CCCCC1 ZINC001473286367 1061055671 /nfs/dbraw/zinc/05/56/71/1061055671.db2.gz BWGUORXBWRQWSO-CVEARBPZSA-N 2 2 304.453 4.009 20 0 DIADLP CSC(C)(C)CC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001462276832 1061071007 /nfs/dbraw/zinc/07/10/07/1061071007.db2.gz VXKGOEXKIMZIDX-UHFFFAOYSA-N 2 2 323.893 4.147 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429679 1061167699 /nfs/dbraw/zinc/16/76/99/1061167699.db2.gz PJTLMJXWONYBHY-JQHSSLGASA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429679 1061167704 /nfs/dbraw/zinc/16/77/04/1061167704.db2.gz PJTLMJXWONYBHY-JQHSSLGASA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429680 1061167884 /nfs/dbraw/zinc/16/78/84/1061167884.db2.gz PJTLMJXWONYBHY-NJAFHUGGSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429680 1061167890 /nfs/dbraw/zinc/16/78/90/1061167890.db2.gz PJTLMJXWONYBHY-NJAFHUGGSA-N 2 2 320.908 4.439 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC001462428418 1061168250 /nfs/dbraw/zinc/16/82/50/1061168250.db2.gz LXSSKPQLEMBREU-SESVDKBCSA-N 2 2 314.517 4.423 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccccc1 ZINC001462454943 1061183772 /nfs/dbraw/zinc/18/37/72/1061183772.db2.gz XIHKFZTXRYFOOB-QZTJIDSGSA-N 2 2 311.473 4.262 20 0 DIADLP C[C@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623529 1061304096 /nfs/dbraw/zinc/30/40/96/1061304096.db2.gz NJCYVCDNSITSMD-AGOPTVSRSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623529 1061304103 /nfs/dbraw/zinc/30/41/03/1061304103.db2.gz NJCYVCDNSITSMD-AGOPTVSRSA-N 2 2 320.480 4.043 20 0 DIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001462664779 1061324916 /nfs/dbraw/zinc/32/49/16/1061324916.db2.gz IIUQEJMESDIPNF-UHFFFAOYSA-N 2 2 323.415 4.092 20 0 DIADLP CCCC[N@H+](Cc1cscn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683306 1061341171 /nfs/dbraw/zinc/34/11/71/1061341171.db2.gz MZRSYJLTNFHODK-UHFFFAOYSA-N 2 2 309.523 4.054 20 0 DIADLP CCCC[N@@H+](Cc1cscn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683306 1061341188 /nfs/dbraw/zinc/34/11/88/1061341188.db2.gz MZRSYJLTNFHODK-UHFFFAOYSA-N 2 2 309.523 4.054 20 0 DIADLP C[C@H]1CC(CC[NH+]2CCC(c3c[nH+]cn3C)CC2)C[C@H](C)C1 ZINC001473894818 1061453180 /nfs/dbraw/zinc/45/31/80/1061453180.db2.gz RLLLYZRMCNVLKN-HZPDHXFCSA-N 2 2 303.494 4.062 20 0 DIADLP C[C@H]1C[C@H](CC[NH+]2CCC(c3c[nH+]cn3C)CC2)C[C@@H](C)C1 ZINC001473894816 1061453685 /nfs/dbraw/zinc/45/36/85/1061453685.db2.gz RLLLYZRMCNVLKN-FVQHAEBGSA-N 2 2 303.494 4.062 20 0 DIADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001473909362 1061458627 /nfs/dbraw/zinc/45/86/27/1061458627.db2.gz YITPRYJUFYLXRR-GUDVDZBRSA-N 2 2 318.530 4.087 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]CCCNc2cccc[nH+]2)c(C)c1 ZINC001474035009 1061580622 /nfs/dbraw/zinc/58/06/22/1061580622.db2.gz NHNGMHUEECCVCE-VURMDHGXSA-N 2 2 309.457 4.112 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001474108102 1061655851 /nfs/dbraw/zinc/65/58/51/1061655851.db2.gz GBGGWCPJAWMEAZ-GJZGRUSLSA-N 2 2 321.534 4.009 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001474108102 1061655861 /nfs/dbraw/zinc/65/58/61/1061655861.db2.gz GBGGWCPJAWMEAZ-GJZGRUSLSA-N 2 2 321.534 4.009 20 0 DIADLP CC(C)(C[NH2+]Cc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC001474133094 1061679399 /nfs/dbraw/zinc/67/93/99/1061679399.db2.gz GCEXLVZQKINWOC-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2C)[NH+](CC)CC)cc1 ZINC001474164809 1061709116 /nfs/dbraw/zinc/70/91/16/1061709116.db2.gz RXRVTWYETNHMHZ-UXPWSPDFSA-N 2 2 302.506 4.410 20 0 DIADLP CCCC[N@H+](C)C[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001458402909 1061742581 /nfs/dbraw/zinc/74/25/81/1061742581.db2.gz CGEBXERXRMKYDY-OAHLLOKOSA-N 2 2 306.498 4.256 20 0 DIADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001458402909 1061742600 /nfs/dbraw/zinc/74/26/00/1061742600.db2.gz CGEBXERXRMKYDY-OAHLLOKOSA-N 2 2 306.498 4.256 20 0 DIADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(CC2CCC2)c1 ZINC001474195440 1061745443 /nfs/dbraw/zinc/74/54/43/1061745443.db2.gz WDGBYNNXILXKND-RTWAWAEBSA-N 2 2 312.501 4.136 20 0 DIADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(CC2CCC2)c1 ZINC001474195440 1061745462 /nfs/dbraw/zinc/74/54/62/1061745462.db2.gz WDGBYNNXILXKND-RTWAWAEBSA-N 2 2 312.501 4.136 20 0 DIADLP C[C@]1(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213335 1061768742 /nfs/dbraw/zinc/76/87/42/1061768742.db2.gz XUGPKAMFIYTAPM-AEFFLSMTSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@]1(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213335 1061768762 /nfs/dbraw/zinc/76/87/62/1061768762.db2.gz XUGPKAMFIYTAPM-AEFFLSMTSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@]1(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213337 1061769460 /nfs/dbraw/zinc/76/94/60/1061769460.db2.gz XUGPKAMFIYTAPM-SJLPKXTDSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@]1(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213337 1061769482 /nfs/dbraw/zinc/76/94/82/1061769482.db2.gz XUGPKAMFIYTAPM-SJLPKXTDSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001474218554 1061776561 /nfs/dbraw/zinc/77/65/61/1061776561.db2.gz AOYWIXGUVDXEBQ-NEWSRXKRSA-N 2 2 311.473 4.120 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC001474230506 1061792343 /nfs/dbraw/zinc/79/23/43/1061792343.db2.gz MIGIMLIQNNZZRO-TVPLGVNVSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001474230506 1061792366 /nfs/dbraw/zinc/79/23/66/1061792366.db2.gz MIGIMLIQNNZZRO-TVPLGVNVSA-N 2 2 306.538 4.445 20 0 DIADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001474246720 1061811722 /nfs/dbraw/zinc/81/17/22/1061811722.db2.gz DKZJINKXVXHVTG-HBFSDRIKSA-N 2 2 311.473 4.430 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001474267279 1061834048 /nfs/dbraw/zinc/83/40/48/1061834048.db2.gz QVYNTKYJRODSBV-AABGKKOBSA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC001474267279 1061834071 /nfs/dbraw/zinc/83/40/71/1061834071.db2.gz QVYNTKYJRODSBV-AABGKKOBSA-N 2 2 312.501 4.065 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2CCc3ccccc3CC2)cc1 ZINC001254455348 1062115613 /nfs/dbraw/zinc/11/56/13/1062115613.db2.gz FUJGFLGLVYHIGO-UHFFFAOYSA-N 2 2 317.436 4.129 20 0 DIADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505938 1062149252 /nfs/dbraw/zinc/14/92/52/1062149252.db2.gz MBCFZCWOCIDNPV-RYUDHWBXSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505938 1062149259 /nfs/dbraw/zinc/14/92/59/1062149259.db2.gz MBCFZCWOCIDNPV-RYUDHWBXSA-N 2 2 301.261 4.128 20 0 DIADLP CC(C)C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC001474501259 1062180414 /nfs/dbraw/zinc/18/04/14/1062180414.db2.gz STFNTUGIXJSFKD-UHFFFAOYSA-N 2 2 305.510 4.304 20 0 DIADLP CC[C@H]1CCCC[C@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505027 1062187305 /nfs/dbraw/zinc/18/73/05/1062187305.db2.gz NTYPWGIYAFUFOU-ROUUACIJSA-N 2 2 318.505 4.392 20 0 DIADLP CC[C@H]1CCCC[C@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001474505027 1062187313 /nfs/dbraw/zinc/18/73/13/1062187313.db2.gz NTYPWGIYAFUFOU-ROUUACIJSA-N 2 2 318.505 4.392 20 0 DIADLP CC(C)CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254844147 1062262448 /nfs/dbraw/zinc/26/24/48/1062262448.db2.gz IHAAAIUPFCQLHP-INIZCTEOSA-N 2 2 314.464 4.055 20 0 DIADLP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254850074 1062265649 /nfs/dbraw/zinc/26/56/49/1062265649.db2.gz DALLBNYVKULPOX-OXJNMPFZSA-N 2 2 300.490 4.020 20 0 DIADLP CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254850075 1062266375 /nfs/dbraw/zinc/26/63/75/1062266375.db2.gz DALLBNYVKULPOX-OXQOHEQNSA-N 2 2 300.490 4.020 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC001459683071 1062305449 /nfs/dbraw/zinc/30/54/49/1062305449.db2.gz FVKFZAFKLUGHTD-YADHBBJMSA-N 2 2 322.496 4.434 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC001459683071 1062305472 /nfs/dbraw/zinc/30/54/72/1062305472.db2.gz FVKFZAFKLUGHTD-YADHBBJMSA-N 2 2 322.496 4.434 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001474630387 1062354137 /nfs/dbraw/zinc/35/41/37/1062354137.db2.gz KPCYFEGGJWQTHS-HKBOAZHASA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001474630387 1062354156 /nfs/dbraw/zinc/35/41/56/1062354156.db2.gz KPCYFEGGJWQTHS-HKBOAZHASA-N 2 2 312.501 4.319 20 0 DIADLP CCCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001255331718 1062406453 /nfs/dbraw/zinc/40/64/53/1062406453.db2.gz CTDZIQRWTRYRKU-MRXNPFEDSA-N 2 2 306.469 4.301 20 0 DIADLP CCCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001255331718 1062406463 /nfs/dbraw/zinc/40/64/63/1062406463.db2.gz CTDZIQRWTRYRKU-MRXNPFEDSA-N 2 2 306.469 4.301 20 0 DIADLP Cc1ccc([C@@H](C)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001474682078 1062413087 /nfs/dbraw/zinc/41/30/87/1062413087.db2.gz HDRDDEGPOZCVKF-GHTZIAJQSA-N 2 2 319.452 4.326 20 0 DIADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683296 1062413687 /nfs/dbraw/zinc/41/36/87/1062413687.db2.gz XULSKHMRVZWEPG-LEWJYISDSA-N 2 2 319.452 4.235 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001255701349 1062527298 /nfs/dbraw/zinc/52/72/98/1062527298.db2.gz PHVUUFRAKUOKOB-GJZGRUSLSA-N 2 2 323.362 4.302 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001255701354 1062529335 /nfs/dbraw/zinc/52/93/35/1062529335.db2.gz PHVUUFRAKUOKOB-LSDHHAIUSA-N 2 2 323.362 4.302 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1Cl ZINC001255955408 1062671145 /nfs/dbraw/zinc/67/11/45/1062671145.db2.gz SIPXREQQSXXJCH-CHWSQXEVSA-N 2 2 300.849 4.250 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001255968716 1062673965 /nfs/dbraw/zinc/67/39/65/1062673965.db2.gz GAXWWUWXKKMXCN-RDTXWAMCSA-N 2 2 310.432 4.222 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001255968716 1062673979 /nfs/dbraw/zinc/67/39/79/1062673979.db2.gz GAXWWUWXKKMXCN-RDTXWAMCSA-N 2 2 310.432 4.222 20 0 DIADLP c1ccc(C[N@H+](C2CCCCC2)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256075033 1062698610 /nfs/dbraw/zinc/69/86/10/1062698610.db2.gz BJIOPPIOTDJCCL-UHFFFAOYSA-N 2 2 312.501 4.448 20 0 DIADLP c1ccc(C[N@@H+](C2CCCCC2)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256075033 1062698622 /nfs/dbraw/zinc/69/86/22/1062698622.db2.gz BJIOPPIOTDJCCL-UHFFFAOYSA-N 2 2 312.501 4.448 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548272 1062868657 /nfs/dbraw/zinc/86/86/57/1062868657.db2.gz ADZFWICJSITQMI-AVRDEDQJSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548272 1062868690 /nfs/dbraw/zinc/86/86/90/1062868690.db2.gz ADZFWICJSITQMI-AVRDEDQJSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@@H]1Cc2ccccc2C[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608537 1062911684 /nfs/dbraw/zinc/91/16/84/1062911684.db2.gz BEOLPLXSDULISK-GOSISDBHSA-N 2 2 320.480 4.098 20 0 DIADLP C[C@@H]1Cc2ccccc2C[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608537 1062911712 /nfs/dbraw/zinc/91/17/12/1062911712.db2.gz BEOLPLXSDULISK-GOSISDBHSA-N 2 2 320.480 4.098 20 0 DIADLP C[C@H]1Cc2ccccc2C[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608538 1062912891 /nfs/dbraw/zinc/91/28/91/1062912891.db2.gz BEOLPLXSDULISK-SFHVURJKSA-N 2 2 320.480 4.098 20 0 DIADLP C[C@H]1Cc2ccccc2C[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256608538 1062912907 /nfs/dbraw/zinc/91/29/07/1062912907.db2.gz BEOLPLXSDULISK-SFHVURJKSA-N 2 2 320.480 4.098 20 0 DIADLP Cc1cccc(C2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001256604098 1062913435 /nfs/dbraw/zinc/91/34/35/1062913435.db2.gz JIWWUOFPLHDEGB-UHFFFAOYSA-N 2 2 320.480 4.238 20 0 DIADLP CC[N@H+](Cc1cccs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613666 1062918233 /nfs/dbraw/zinc/91/82/33/1062918233.db2.gz RNURVILDCQWORM-UHFFFAOYSA-N 2 2 314.498 4.235 20 0 DIADLP CC[N@@H+](Cc1cccs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613666 1062918252 /nfs/dbraw/zinc/91/82/52/1062918252.db2.gz RNURVILDCQWORM-UHFFFAOYSA-N 2 2 314.498 4.235 20 0 DIADLP CC[N@H+](Cc1ccc(C)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611962 1062920421 /nfs/dbraw/zinc/92/04/21/1062920421.db2.gz BTQAJBQUVCOQFM-UHFFFAOYSA-N 2 2 322.496 4.482 20 0 DIADLP CC[N@@H+](Cc1ccc(C)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611962 1062920438 /nfs/dbraw/zinc/92/04/38/1062920438.db2.gz BTQAJBQUVCOQFM-UHFFFAOYSA-N 2 2 322.496 4.482 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001460734705 1063027910 /nfs/dbraw/zinc/02/79/10/1063027910.db2.gz WEJMJQYGKIJLAZ-LEWJYISDSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001460734705 1063027930 /nfs/dbraw/zinc/02/79/30/1063027930.db2.gz WEJMJQYGKIJLAZ-LEWJYISDSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001460734705 1063027949 /nfs/dbraw/zinc/02/79/49/1063027949.db2.gz WEJMJQYGKIJLAZ-LEWJYISDSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001460734705 1063027968 /nfs/dbraw/zinc/02/79/68/1063027968.db2.gz WEJMJQYGKIJLAZ-LEWJYISDSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001460734708 1063030060 /nfs/dbraw/zinc/03/00/60/1063030060.db2.gz WEJMJQYGKIJLAZ-NHCUHLMSSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001460734708 1063030083 /nfs/dbraw/zinc/03/00/83/1063030083.db2.gz WEJMJQYGKIJLAZ-NHCUHLMSSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001460734708 1063030103 /nfs/dbraw/zinc/03/01/03/1063030103.db2.gz WEJMJQYGKIJLAZ-NHCUHLMSSA-N 2 2 308.469 4.071 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001460734708 1063030107 /nfs/dbraw/zinc/03/01/07/1063030107.db2.gz WEJMJQYGKIJLAZ-NHCUHLMSSA-N 2 2 308.469 4.071 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1C ZINC001460997066 1063171688 /nfs/dbraw/zinc/17/16/88/1063171688.db2.gz XGDKKVCOKIEVPU-LJQANCHMSA-N 2 2 308.469 4.236 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1C ZINC001460997066 1063171699 /nfs/dbraw/zinc/17/16/99/1063171699.db2.gz XGDKKVCOKIEVPU-LJQANCHMSA-N 2 2 308.469 4.236 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001461003834 1063180401 /nfs/dbraw/zinc/18/04/01/1063180401.db2.gz VAQBMSRJXJJIDX-JBACZVJFSA-N 2 2 312.501 4.406 20 0 DIADLP CCCCCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001257356902 1063225711 /nfs/dbraw/zinc/22/57/11/1063225711.db2.gz CYQDSHRINTXKLA-INIZCTEOSA-N 2 2 306.469 4.434 20 0 DIADLP CCCCCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257361555 1063229765 /nfs/dbraw/zinc/22/97/65/1063229765.db2.gz MOKSDQZYBZNWHV-QGZVFWFLSA-N 2 2 303.494 4.247 20 0 DIADLP CCCCCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257361554 1063230886 /nfs/dbraw/zinc/23/08/86/1063230886.db2.gz MOKSDQZYBZNWHV-KRWDZBQOSA-N 2 2 303.494 4.247 20 0 DIADLP CCCCCC1CCC(n2c(C)[nH+]c3c2CC[NH2+]CC3)CC1 ZINC001257374262 1063242318 /nfs/dbraw/zinc/24/23/18/1063242318.db2.gz VIUNTHGSOZDXKA-UHFFFAOYSA-N 2 2 303.494 4.191 20 0 DIADLP CCCC1CCC(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC001461088626 1063244568 /nfs/dbraw/zinc/24/45/68/1063244568.db2.gz YRMRZWGIHUYFLW-DAWZGUTISA-N 2 2 305.510 4.494 20 0 DIADLP CCCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257410607 1063259731 /nfs/dbraw/zinc/25/97/31/1063259731.db2.gz VHOHHXACJKMIMW-SFHVURJKSA-N 2 2 318.505 4.218 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC001257452714 1063285468 /nfs/dbraw/zinc/28/54/68/1063285468.db2.gz KETAYTVXPFPRGV-UHFFFAOYSA-N 2 2 304.453 4.021 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001257465324 1063288361 /nfs/dbraw/zinc/28/83/61/1063288361.db2.gz ZOMQKMPGISOISG-ZWKOTPCHSA-N 2 2 302.506 4.313 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257470163 1063291030 /nfs/dbraw/zinc/29/10/30/1063291030.db2.gz FVKVRXRMZNXMQT-MSOLQXFVSA-N 2 2 317.521 4.493 20 0 DIADLP CCC[C@H](C)CC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257470166 1063291653 /nfs/dbraw/zinc/29/16/53/1063291653.db2.gz FVKVRXRMZNXMQT-ZWKOTPCHSA-N 2 2 317.521 4.493 20 0 DIADLP Clc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(Cl)c1 ZINC001461153063 1063295403 /nfs/dbraw/zinc/29/54/03/1063295403.db2.gz ZNCLKHUAJQFWQV-UHFFFAOYSA-N 2 2 324.255 4.370 20 0 DIADLP CCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257502129 1063314806 /nfs/dbraw/zinc/31/48/06/1063314806.db2.gz SKQWZQMXDNHWRP-KRWDZBQOSA-N 2 2 318.505 4.218 20 0 DIADLP CCCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511317 1063319291 /nfs/dbraw/zinc/31/92/91/1063319291.db2.gz CFTZLALYXXOQIQ-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511317 1063319308 /nfs/dbraw/zinc/31/93/08/1063319308.db2.gz CFTZLALYXXOQIQ-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257511317 1063319326 /nfs/dbraw/zinc/31/93/26/1063319326.db2.gz CFTZLALYXXOQIQ-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257511317 1063319342 /nfs/dbraw/zinc/31/93/42/1063319342.db2.gz CFTZLALYXXOQIQ-YESZJQIVSA-N 2 2 321.534 4.008 20 0 DIADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC001461195258 1063322924 /nfs/dbraw/zinc/32/29/24/1063322924.db2.gz UXSHPIQQNITJGX-NZHZHZHDSA-N 2 2 306.881 4.207 20 0 DIADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC001461195258 1063322943 /nfs/dbraw/zinc/32/29/43/1063322943.db2.gz UXSHPIQQNITJGX-NZHZHZHDSA-N 2 2 306.881 4.207 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC001461224931 1063346699 /nfs/dbraw/zinc/34/66/99/1063346699.db2.gz WZVINZXCRJAPEO-FAZYEBOESA-N 2 2 324.443 4.093 20 0 DIADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC001461224931 1063346713 /nfs/dbraw/zinc/34/67/13/1063346713.db2.gz WZVINZXCRJAPEO-FAZYEBOESA-N 2 2 324.443 4.093 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC001473133584 1063441043 /nfs/dbraw/zinc/44/10/43/1063441043.db2.gz XOPHWKJUTGBLMD-LJQANCHMSA-N 2 2 318.480 4.078 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC001473133584 1063441056 /nfs/dbraw/zinc/44/10/56/1063441056.db2.gz XOPHWKJUTGBLMD-LJQANCHMSA-N 2 2 318.480 4.078 20 0 DIADLP C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001461406379 1063477694 /nfs/dbraw/zinc/47/76/94/1063477694.db2.gz PNCYCYPYONKOHD-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258077996 1063505819 /nfs/dbraw/zinc/50/58/19/1063505819.db2.gz PQRBMEYPHBLGEX-JKSUJKDBSA-N 2 2 321.484 4.240 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258080294 1063506622 /nfs/dbraw/zinc/50/66/22/1063506622.db2.gz GOKPQHZLOGOJOZ-QGZVFWFLSA-N 2 2 301.478 4.023 20 0 DIADLP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC001258147888 1063532002 /nfs/dbraw/zinc/53/20/02/1063532002.db2.gz VRPTXCFWNISTOC-JOCHJYFZSA-N 2 2 320.480 4.141 20 0 DIADLP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC001258147888 1063532024 /nfs/dbraw/zinc/53/20/24/1063532024.db2.gz VRPTXCFWNISTOC-JOCHJYFZSA-N 2 2 320.480 4.141 20 0 DIADLP C[C@@H](CC1CCCCC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461485158 1063532026 /nfs/dbraw/zinc/53/20/26/1063532026.db2.gz VDCGNUHRTUNDSG-AWEZNQCLSA-N 2 2 303.475 4.382 20 0 DIADLP CSCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001258200201 1063557465 /nfs/dbraw/zinc/55/74/65/1063557465.db2.gz QXYSSTQQWKPYNU-ATZDWAIDSA-N 2 2 314.498 4.159 20 0 DIADLP c1ccc(N2CCC(C[NH2+]C3CCCCCCC3)CC2)[nH+]c1 ZINC001258235775 1063574179 /nfs/dbraw/zinc/57/41/79/1063574179.db2.gz YSANOEQGZDTJTB-UHFFFAOYSA-N 2 2 301.478 4.001 20 0 DIADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258296973 1063594901 /nfs/dbraw/zinc/59/49/01/1063594901.db2.gz FJCHYOXRZUGBTD-HNNXBMFYSA-N 2 2 312.523 4.001 20 0 DIADLP CSC(C)(C)C[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258330608 1063614469 /nfs/dbraw/zinc/61/44/69/1063614469.db2.gz YZIHOGGLZZMMJK-CYBMUJFWSA-N 2 2 303.475 4.102 20 0 DIADLP CSC(C)(C)C[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258345698 1063620815 /nfs/dbraw/zinc/62/08/15/1063620815.db2.gz PUYYIIRLRWYJHK-HNNXBMFYSA-N 2 2 317.502 4.224 20 0 DIADLP CSC(C)(C)C[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258345698 1063620826 /nfs/dbraw/zinc/62/08/26/1063620826.db2.gz PUYYIIRLRWYJHK-HNNXBMFYSA-N 2 2 317.502 4.224 20 0 DIADLP c1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc(C2CCCC2)c1 ZINC001461683624 1063656448 /nfs/dbraw/zinc/65/64/48/1063656448.db2.gz POQXPDCKMBNDGX-OAQYLSRUSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc(C2CCCC2)c1 ZINC001461683624 1063656457 /nfs/dbraw/zinc/65/64/57/1063656457.db2.gz POQXPDCKMBNDGX-OAQYLSRUSA-N 2 2 312.501 4.451 20 0 DIADLP CCCCC[C@H](CC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258443988 1063656644 /nfs/dbraw/zinc/65/66/44/1063656644.db2.gz QHTONKRXJGADFY-KRWDZBQOSA-N 2 2 303.494 4.307 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258649023 1063721540 /nfs/dbraw/zinc/72/15/40/1063721540.db2.gz BJGBLMUOFLKXMI-QFIPXVFZSA-N 2 2 322.496 4.119 20 0 DIADLP CCCCC[C@H](CCC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258662309 1063730831 /nfs/dbraw/zinc/73/08/31/1063730831.db2.gz PIHGRSQEDQLRIM-FQEVSTJZSA-N 2 2 302.506 4.457 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC(C)(C)C1 ZINC001258695250 1063758078 /nfs/dbraw/zinc/75/80/78/1063758078.db2.gz ZZGGRMDKZMTTNZ-CVEARBPZSA-N 2 2 302.462 4.140 20 0 DIADLP CCCC[C@H](Cc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258713350 1063769945 /nfs/dbraw/zinc/76/99/45/1063769945.db2.gz GXWCGIZNBUAMSC-HXUWFJFHSA-N 2 2 311.473 4.322 20 0 DIADLP CC[C@H](C[C@@H](C)CC)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258786146 1063822949 /nfs/dbraw/zinc/82/29/49/1063822949.db2.gz KQOKESKXCCTSCF-FJIDUMEYSA-N 2 2 303.494 4.373 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2c(Cl)cccc2CC)CC1 ZINC001461941026 1063825519 /nfs/dbraw/zinc/82/55/19/1063825519.db2.gz DMJZDOFJMIMNGC-UHFFFAOYSA-N 2 2 308.897 4.209 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(Cl)cccc2CC)CC1 ZINC001461941026 1063825531 /nfs/dbraw/zinc/82/55/31/1063825531.db2.gz DMJZDOFJMIMNGC-UHFFFAOYSA-N 2 2 308.897 4.209 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC001258812329 1063843672 /nfs/dbraw/zinc/84/36/72/1063843672.db2.gz DQZRFCOJIQVIAM-KXBFYZLASA-N 2 2 318.480 4.267 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535918 1063887336 /nfs/dbraw/zinc/88/73/36/1063887336.db2.gz RBKIWVOXZMVTKW-RHSMWYFYSA-N 2 2 300.471 4.160 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(-c2cccs2)cc1 ZINC000481535918 1063887349 /nfs/dbraw/zinc/88/73/49/1063887349.db2.gz RBKIWVOXZMVTKW-RHSMWYFYSA-N 2 2 300.471 4.160 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390521514 1064161043 /nfs/dbraw/zinc/16/10/43/1064161043.db2.gz GUDVJQYRGIGLHE-HOJAQTOUSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390521514 1064161047 /nfs/dbraw/zinc/16/10/47/1064161047.db2.gz GUDVJQYRGIGLHE-HOJAQTOUSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390521517 1064161548 /nfs/dbraw/zinc/16/15/48/1064161548.db2.gz GUDVJQYRGIGLHE-RLLQIKCJSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390521517 1064161554 /nfs/dbraw/zinc/16/15/54/1064161554.db2.gz GUDVJQYRGIGLHE-RLLQIKCJSA-N 2 2 300.490 4.209 20 0 DIADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)C[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001279644212 1064362801 /nfs/dbraw/zinc/36/28/01/1064362801.db2.gz XMEILDJIKUWRFH-IYWMVGAKSA-N 2 2 316.533 4.033 20 0 DIADLP c1cc2c(c(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)c1)CCC2 ZINC001279997292 1064375536 /nfs/dbraw/zinc/37/55/36/1064375536.db2.gz HFAMGFNMOHQRHU-UHFFFAOYSA-N 2 2 324.512 4.016 20 0 DIADLP c1cc2c(c(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)c1)CCC2 ZINC001279997292 1064375545 /nfs/dbraw/zinc/37/55/45/1064375545.db2.gz HFAMGFNMOHQRHU-UHFFFAOYSA-N 2 2 324.512 4.016 20 0 DIADLP Cc1ccc[nH+]c1N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001280101998 1064378914 /nfs/dbraw/zinc/37/89/14/1064378914.db2.gz VMLVZPPGDGHULP-UHFFFAOYSA-N 2 2 313.489 4.015 20 0 DIADLP Cc1ccc[nH+]c1N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001280101998 1064378926 /nfs/dbraw/zinc/37/89/26/1064378926.db2.gz VMLVZPPGDGHULP-UHFFFAOYSA-N 2 2 313.489 4.015 20 0 DIADLP Fc1ccccc1C1([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC1 ZINC000647802430 1064415930 /nfs/dbraw/zinc/41/59/30/1064415930.db2.gz LHHILZRFVUQPHK-YLJYHZDGSA-N 2 2 324.443 4.288 20 0 DIADLP CC(C)C[N@@H+]1CC[C@H](CNc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001307000882 1065244014 /nfs/dbraw/zinc/24/40/14/1065244014.db2.gz KIZWXFHESNGWMR-MRXNPFEDSA-N 2 2 318.509 4.113 20 0 DIADLP CC(C)C[N@H+]1CC[C@H](CNc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC001307000882 1065244023 /nfs/dbraw/zinc/24/40/23/1065244023.db2.gz KIZWXFHESNGWMR-MRXNPFEDSA-N 2 2 318.509 4.113 20 0 DIADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517878 1065457996 /nfs/dbraw/zinc/45/79/96/1065457996.db2.gz GKLVNXHFEAHQIA-UTKZUKDTSA-N 2 2 317.436 4.250 20 0 DIADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517878 1065457998 /nfs/dbraw/zinc/45/79/98/1065457998.db2.gz GKLVNXHFEAHQIA-UTKZUKDTSA-N 2 2 317.436 4.250 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001307707435 1065576757 /nfs/dbraw/zinc/57/67/57/1065576757.db2.gz WZEMCWCEGAMCGZ-QFBILLFUSA-N 2 2 311.473 4.485 20 0 DIADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC001308053463 1065741516 /nfs/dbraw/zinc/74/15/16/1065741516.db2.gz SPJUEOYDFJLMHQ-RTBURBONSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC001308053463 1065741530 /nfs/dbraw/zinc/74/15/30/1065741530.db2.gz SPJUEOYDFJLMHQ-RTBURBONSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC001308053463 1065741546 /nfs/dbraw/zinc/74/15/46/1065741546.db2.gz SPJUEOYDFJLMHQ-RTBURBONSA-N 2 2 300.490 4.043 20 0 DIADLP CCC(C)(C)c1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC001308053463 1065741561 /nfs/dbraw/zinc/74/15/61/1065741561.db2.gz SPJUEOYDFJLMHQ-RTBURBONSA-N 2 2 300.490 4.043 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC001308086291 1065754419 /nfs/dbraw/zinc/75/44/19/1065754419.db2.gz HBHIYWYFTGGVOO-HWKANZROSA-N 2 2 318.892 4.304 20 0 DIADLP CCC[N@H+](CCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153903 1065782483 /nfs/dbraw/zinc/78/24/83/1065782483.db2.gz LISFUCILYXVTOA-UHFFFAOYSA-N 2 2 300.490 4.163 20 0 DIADLP CCC[N@@H+](CCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153903 1065782491 /nfs/dbraw/zinc/78/24/91/1065782491.db2.gz LISFUCILYXVTOA-UHFFFAOYSA-N 2 2 300.490 4.163 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC001308182231 1065794020 /nfs/dbraw/zinc/79/40/20/1065794020.db2.gz IWHKWNKZBFKQOG-FDFHNCONSA-N 2 2 322.496 4.463 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC001308195096 1065803567 /nfs/dbraw/zinc/80/35/67/1065803567.db2.gz YTDHSOGOMMGINS-HXUWFJFHSA-N 2 2 302.506 4.252 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(F)(F)CC1)Cc1ccccc1 ZINC001308194644 1065804687 /nfs/dbraw/zinc/80/46/87/1065804687.db2.gz JQUXTCSZTHTOAR-GOSISDBHSA-N 2 2 324.459 4.107 20 0 DIADLP CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308221057 1065828826 /nfs/dbraw/zinc/82/88/26/1065828826.db2.gz OLZXGBBREQLIFM-CVEARBPZSA-N 2 2 315.436 4.317 20 0 DIADLP Fc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001308294933 1065890418 /nfs/dbraw/zinc/89/04/18/1065890418.db2.gz HQJGGVUUSNBNKI-UHFFFAOYSA-N 2 2 324.871 4.366 20 0 DIADLP CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308303787 1065899489 /nfs/dbraw/zinc/89/94/89/1065899489.db2.gz SPOKJOYQZWTADQ-CVEARBPZSA-N 2 2 321.515 4.088 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001308322400 1065913467 /nfs/dbraw/zinc/91/34/67/1065913467.db2.gz MVRDIBRLCPSZJX-VGSWGCGISA-N 2 2 320.480 4.234 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001308322400 1065913478 /nfs/dbraw/zinc/91/34/78/1065913478.db2.gz MVRDIBRLCPSZJX-VGSWGCGISA-N 2 2 320.480 4.234 20 0 DIADLP Fc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC001308360644 1065939802 /nfs/dbraw/zinc/93/98/02/1065939802.db2.gz QCKMWQVGOQFVPC-UHFFFAOYSA-N 2 2 324.871 4.223 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2occc2c1 ZINC001308412573 1065972010 /nfs/dbraw/zinc/97/20/10/1065972010.db2.gz HSRZZQGYIARRML-SFHVURJKSA-N 2 2 300.446 4.033 20 0 DIADLP CCCc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001308465635 1066006395 /nfs/dbraw/zinc/00/63/95/1066006395.db2.gz BLMPZGOCHXJSSH-HXUWFJFHSA-N 2 2 300.490 4.136 20 0 DIADLP CCCc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001308465635 1066006405 /nfs/dbraw/zinc/00/64/05/1066006405.db2.gz BLMPZGOCHXJSSH-HXUWFJFHSA-N 2 2 300.490 4.136 20 0 DIADLP Fc1cccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001308492265 1066025453 /nfs/dbraw/zinc/02/54/53/1066025453.db2.gz KAAQLZHNTGPBTQ-LZVBJTEYSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1cccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001308492265 1066025463 /nfs/dbraw/zinc/02/54/63/1066025463.db2.gz KAAQLZHNTGPBTQ-LZVBJTEYSA-N 2 2 316.464 4.226 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001308592913 1066105715 /nfs/dbraw/zinc/10/57/15/1066105715.db2.gz OVKVCKURXRJVOJ-MFKWGIFDSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001308592913 1066105721 /nfs/dbraw/zinc/10/57/21/1066105721.db2.gz OVKVCKURXRJVOJ-MFKWGIFDSA-N 2 2 304.522 4.316 20 0 DIADLP CC(C)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC001308609285 1066116413 /nfs/dbraw/zinc/11/64/13/1066116413.db2.gz NZINRNJSMNGLAN-UHFFFAOYSA-N 2 2 303.475 4.334 20 0 DIADLP CC(C)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC001308609285 1066116416 /nfs/dbraw/zinc/11/64/16/1066116416.db2.gz NZINRNJSMNGLAN-UHFFFAOYSA-N 2 2 303.475 4.334 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001308719414 1066197238 /nfs/dbraw/zinc/19/72/38/1066197238.db2.gz AFLCSVRXRZVVFB-SFHVURJKSA-N 2 2 322.924 4.373 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001308719414 1066197242 /nfs/dbraw/zinc/19/72/42/1066197242.db2.gz AFLCSVRXRZVVFB-SFHVURJKSA-N 2 2 322.924 4.373 20 0 DIADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001308851719 1066329612 /nfs/dbraw/zinc/32/96/12/1066329612.db2.gz LPOVFOCTCGFULT-IJXRJRJASA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC001308851719 1066329628 /nfs/dbraw/zinc/32/96/28/1066329628.db2.gz LPOVFOCTCGFULT-IJXRJRJASA-N 2 2 314.517 4.311 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001308864760 1066346329 /nfs/dbraw/zinc/34/63/29/1066346329.db2.gz LKYGYBLBPJUCMZ-UYAOXDASSA-N 2 2 302.506 4.108 20 0 DIADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001308888109 1066369427 /nfs/dbraw/zinc/36/94/27/1066369427.db2.gz LMCHMTJBZMSKIS-HLIPFELVSA-N 2 2 302.506 4.061 20 0 DIADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001308888109 1066369437 /nfs/dbraw/zinc/36/94/37/1066369437.db2.gz LMCHMTJBZMSKIS-HLIPFELVSA-N 2 2 302.506 4.061 20 0 DIADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001308967039 1066423897 /nfs/dbraw/zinc/42/38/97/1066423897.db2.gz IRHKHPKLIIAJTF-AVRDEDQJSA-N 2 2 322.496 4.359 20 0 DIADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001308967039 1066423900 /nfs/dbraw/zinc/42/39/00/1066423900.db2.gz IRHKHPKLIIAJTF-AVRDEDQJSA-N 2 2 322.496 4.359 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)c1 ZINC001308970867 1066426616 /nfs/dbraw/zinc/42/66/16/1066426616.db2.gz OENWVXFVHKZKLL-VMPITWQZSA-N 2 2 312.501 4.232 20 0 DIADLP CCSc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308975679 1066427779 /nfs/dbraw/zinc/42/77/79/1066427779.db2.gz WVJSGDBWUFQMOM-INIZCTEOSA-N 2 2 320.546 4.051 20 0 DIADLP CCSc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308975679 1066427782 /nfs/dbraw/zinc/42/77/82/1066427782.db2.gz WVJSGDBWUFQMOM-INIZCTEOSA-N 2 2 320.546 4.051 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308974830 1066427819 /nfs/dbraw/zinc/42/78/19/1066427819.db2.gz MLVAKDBDQXZQAJ-CYBMUJFWSA-N 2 2 314.926 4.044 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308974830 1066427831 /nfs/dbraw/zinc/42/78/31/1066427831.db2.gz MLVAKDBDQXZQAJ-CYBMUJFWSA-N 2 2 314.926 4.044 20 0 DIADLP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667300 185308526 /nfs/dbraw/zinc/30/85/26/185308526.db2.gz MJDKKHYOYHBSBK-ZWOKBUDYSA-N 2 2 317.521 4.411 20 0 DIADLP CCCc1cccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000187119202 541309582 /nfs/dbraw/zinc/30/95/82/541309582.db2.gz AIBRSPRVOHTEBQ-UHFFFAOYSA-N 2 2 319.452 4.174 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000019987150 182174357 /nfs/dbraw/zinc/17/43/57/182174357.db2.gz TYIWNRYRIYZHSI-LLVKDONJSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000020557124 182231613 /nfs/dbraw/zinc/23/16/13/182231613.db2.gz OPTLNHVMBFEACS-LBPRGKRZSA-N 2 2 301.261 4.130 20 0 DIADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)Cn1cc[nH+]c1 ZINC000062254569 335031939 /nfs/dbraw/zinc/03/19/39/335031939.db2.gz HLRBPZJBTODATB-HNNXBMFYSA-N 2 2 311.454 4.038 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272478313 130034283 /nfs/dbraw/zinc/03/42/83/130034283.db2.gz ASQCONVZMOAFGK-AWEZNQCLSA-N 2 2 314.395 4.062 20 0 DIADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000340202738 131152374 /nfs/dbraw/zinc/15/23/74/131152374.db2.gz PHWNWWHYYZQOTE-HXUWFJFHSA-N 2 2 317.436 4.077 20 0 DIADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000340202738 131152376 /nfs/dbraw/zinc/15/23/76/131152376.db2.gz PHWNWWHYYZQOTE-HXUWFJFHSA-N 2 2 317.436 4.077 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(C)c1 ZINC000285710388 131195626 /nfs/dbraw/zinc/19/56/26/131195626.db2.gz POMUVCWYMUROHC-OAQYLSRUSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1cc([NH+]2CCCCCC2)ccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000297234435 132005273 /nfs/dbraw/zinc/00/52/73/132005273.db2.gz IBNRFYRYJPUSKH-GOSISDBHSA-N 2 2 310.445 4.129 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)c1ccccc1 ZINC000163894816 132125706 /nfs/dbraw/zinc/12/57/06/132125706.db2.gz GJKHOQRFFFXLPP-KRWDZBQOSA-N 2 2 323.484 4.006 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000121357616 132153436 /nfs/dbraw/zinc/15/34/36/132153436.db2.gz QKQPKZMUKCCSOK-CQSZACIVSA-N 2 2 315.848 4.055 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000320549508 335082278 /nfs/dbraw/zinc/08/22/78/335082278.db2.gz CVCJZQIFCMNQRI-GOSISDBHSA-N 2 2 305.425 4.012 20 0 DIADLP CC[NH+](CC)Cc1cccc(CNc2[nH+]c3ccccc3n2C)c1 ZINC000535690805 435342890 /nfs/dbraw/zinc/34/28/90/435342890.db2.gz ZYLMBZRIMGMTFT-UHFFFAOYSA-N 2 2 322.456 4.027 20 0 DIADLP CC[NH+](CC)Cc1ccc(CNc2[nH+]c3ccccc3n2C)cc1 ZINC000536502064 435385146 /nfs/dbraw/zinc/38/51/46/435385146.db2.gz JSONXNOKRKVILE-UHFFFAOYSA-N 2 2 322.456 4.027 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000037249363 331548730 /nfs/dbraw/zinc/54/87/30/331548730.db2.gz WAZPNNZFGZRNHZ-JTQLQIEISA-N 2 2 316.207 4.070 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000530711923 331620410 /nfs/dbraw/zinc/62/04/10/331620410.db2.gz QLAWFPCSEDUAKY-INIZCTEOSA-N 2 2 303.837 4.394 20 0 DIADLP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000580096909 332937954 /nfs/dbraw/zinc/93/79/54/332937954.db2.gz SVDMRJAODMVSNI-GOSISDBHSA-N 2 2 315.461 4.004 20 0 DIADLP CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132267792 332126325 /nfs/dbraw/zinc/12/63/25/332126325.db2.gz PNSPDCISPGTXAE-GJZGRUSLSA-N 2 2 303.475 4.055 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000133147756 332137020 /nfs/dbraw/zinc/13/70/20/332137020.db2.gz OLQVHVDAAPQZDL-UHFFFAOYSA-N 2 2 306.837 4.050 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000317743259 332159409 /nfs/dbraw/zinc/15/94/09/332159409.db2.gz NCMNMKSXSUEAHJ-LBPRGKRZSA-N 2 2 313.367 4.055 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)CCC2 ZINC000363757322 332241488 /nfs/dbraw/zinc/24/14/88/332241488.db2.gz LIFAGEHCKGFPMY-IRXDYDNUSA-N 2 2 311.473 4.025 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)CCC2 ZINC000363757317 332241602 /nfs/dbraw/zinc/24/16/02/332241602.db2.gz LIFAGEHCKGFPMY-DLBZAZTESA-N 2 2 311.473 4.025 20 0 DIADLP CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559740162 332278366 /nfs/dbraw/zinc/27/83/66/332278366.db2.gz SXUXHCOSFFHDDY-PMACEKPBSA-N 2 2 324.468 4.010 20 0 DIADLP CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559740162 332278367 /nfs/dbraw/zinc/27/83/67/332278367.db2.gz SXUXHCOSFFHDDY-PMACEKPBSA-N 2 2 324.468 4.010 20 0 DIADLP c1ccc(NCCCC[NH2+][C@H]2CCCCC23CCCC3)[nH+]c1 ZINC000559751148 332278965 /nfs/dbraw/zinc/27/89/65/332278965.db2.gz DUCMQQLSOMVUAA-KRWDZBQOSA-N 2 2 301.478 4.366 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)c2ccccc21 ZINC000559845811 332284812 /nfs/dbraw/zinc/28/48/12/332284812.db2.gz UUJLUTMGMWBEFE-AWEZNQCLSA-N 2 2 323.415 4.363 20 0 DIADLP CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119731426 332377046 /nfs/dbraw/zinc/37/70/46/332377046.db2.gz UWPNHQPFZTUVOL-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000574605451 332397267 /nfs/dbraw/zinc/39/72/67/332397267.db2.gz OGSBTYXWLYJKJM-AWEZNQCLSA-N 2 2 304.384 4.294 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000574605451 332397268 /nfs/dbraw/zinc/39/72/68/332397268.db2.gz OGSBTYXWLYJKJM-AWEZNQCLSA-N 2 2 304.384 4.294 20 0 DIADLP CC(C)CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000561771071 332495031 /nfs/dbraw/zinc/49/50/31/332495031.db2.gz BVSCSAPHPDNPMR-KRWDZBQOSA-N 2 2 305.510 4.202 20 0 DIADLP CC(C)C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427873936 332551943 /nfs/dbraw/zinc/55/19/43/332551943.db2.gz HEAZRZVJHAMGNP-SJORKVTESA-N 2 2 317.864 4.228 20 0 DIADLP Cc1cc(C)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1C ZINC000569855203 332686174 /nfs/dbraw/zinc/68/61/74/332686174.db2.gz ZBKDZLDCYZHDMF-UHFFFAOYSA-N 2 2 321.468 4.221 20 0 DIADLP CC(C)(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000497523903 333259315 /nfs/dbraw/zinc/25/93/15/333259315.db2.gz PQXABAYUFDOVOB-SFHVURJKSA-N 2 2 311.429 4.396 20 0 DIADLP Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000390323078 333266701 /nfs/dbraw/zinc/26/67/01/333266701.db2.gz ISDFLHFDCARJIY-KRWDZBQOSA-N 2 2 309.457 4.018 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390580598 333303677 /nfs/dbraw/zinc/30/36/77/333303677.db2.gz HQYVMHOVLMERBF-GJZGRUSLSA-N 2 2 316.411 4.218 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390580598 333303678 /nfs/dbraw/zinc/30/36/78/333303678.db2.gz HQYVMHOVLMERBF-GJZGRUSLSA-N 2 2 316.411 4.218 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000537940068 333343494 /nfs/dbraw/zinc/34/34/94/333343494.db2.gz RPFYSTPQDUXYQH-QGZVFWFLSA-N 2 2 312.457 4.318 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000221797938 333367091 /nfs/dbraw/zinc/36/70/91/333367091.db2.gz PHZUGJAGQLQVQM-NSHDSACASA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)sc1Cl ZINC000221831935 333368608 /nfs/dbraw/zinc/36/86/08/333368608.db2.gz XQUKZBWXXWYYSW-SNVBAGLBSA-N 2 2 307.290 4.191 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000121358944 333385897 /nfs/dbraw/zinc/38/58/97/333385897.db2.gz GCNJTNTXKCWVEF-KRWDZBQOSA-N 2 2 309.457 4.018 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+]C1CC[NH+](CC)CC1 ZINC000319650695 333393443 /nfs/dbraw/zinc/39/34/43/333393443.db2.gz RKUNOXCPBCSNKN-UHFFFAOYSA-N 2 2 314.473 4.349 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000320342346 333517011 /nfs/dbraw/zinc/51/70/11/333517011.db2.gz OORVGTWVSAIDCW-IRXDYDNUSA-N 2 2 305.425 4.327 20 0 DIADLP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000152099336 333606739 /nfs/dbraw/zinc/60/67/39/333606739.db2.gz NRSTVUXDDUDJFQ-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCc3ccccc32)c[nH+]1 ZINC000152259085 333651970 /nfs/dbraw/zinc/65/19/70/333651970.db2.gz KAUZVXAYHGKTBD-IBGZPJMESA-N 2 2 303.409 4.040 20 0 DIADLP CCn1c[nH+]cc1C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000417793583 335157804 /nfs/dbraw/zinc/15/78/04/335157804.db2.gz LPYRAXCAPPXIJM-OAQYLSRUSA-N 2 2 317.436 4.051 20 0 DIADLP CCn1c[nH+]cc1C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000417793583 335157806 /nfs/dbraw/zinc/15/78/06/335157806.db2.gz LPYRAXCAPPXIJM-OAQYLSRUSA-N 2 2 317.436 4.051 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)n1C ZINC000571464577 333791778 /nfs/dbraw/zinc/79/17/78/333791778.db2.gz YGDCEMQLHCJFJD-NVXWUHKLSA-N 2 2 317.864 4.198 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000571567611 333817772 /nfs/dbraw/zinc/81/77/72/333817772.db2.gz UCEVAOHZECTDSU-UHFFFAOYSA-N 2 2 300.421 4.029 20 0 DIADLP CC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)(F)F ZINC000414515794 334004264 /nfs/dbraw/zinc/00/42/64/334004264.db2.gz MYEUPOLLDMOJJS-LLVKDONJSA-N 2 2 317.380 4.002 20 0 DIADLP CC(C)c1ncc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414841320 334112960 /nfs/dbraw/zinc/11/29/60/334112960.db2.gz HSPZCSHSHJPDJV-QGZVFWFLSA-N 2 2 317.502 4.180 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000414845438 334116026 /nfs/dbraw/zinc/11/60/26/334116026.db2.gz LWQCZTSKVFOPJS-FQEVSTJZSA-N 2 2 319.452 4.148 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000414854394 334127823 /nfs/dbraw/zinc/12/78/23/334127823.db2.gz ZJBOQZMUXRUWIA-HXUWFJFHSA-N 2 2 319.452 4.148 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000343579786 335179252 /nfs/dbraw/zinc/17/92/52/335179252.db2.gz IJHAPMIWDAGMRJ-QGZVFWFLSA-N 2 2 305.853 4.304 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCCC13CCCC3)CCC2 ZINC000340251928 334157297 /nfs/dbraw/zinc/15/72/97/334157297.db2.gz JAULDIMDYSJOJJ-IRXDYDNUSA-N 2 2 301.478 4.162 20 0 DIADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940173 334202100 /nfs/dbraw/zinc/20/21/00/334202100.db2.gz JYSXARNIGGNHOM-MLGOLLRUSA-N 2 2 310.363 4.160 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644157 334266371 /nfs/dbraw/zinc/26/63/71/334266371.db2.gz DWXIGQZEYMVZCM-NQBHXWOUSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644157 334266373 /nfs/dbraw/zinc/26/63/73/334266373.db2.gz DWXIGQZEYMVZCM-NQBHXWOUSA-N 2 2 301.261 4.127 20 0 DIADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091080 334279971 /nfs/dbraw/zinc/27/99/71/334279971.db2.gz YTQCAJXEAUUXFI-KDOFPFPSSA-N 2 2 318.823 4.062 20 0 DIADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091078 334280099 /nfs/dbraw/zinc/28/00/99/334280099.db2.gz YTQCAJXEAUUXFI-KBXCAEBGSA-N 2 2 318.823 4.062 20 0 DIADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415107539 334281668 /nfs/dbraw/zinc/28/16/68/334281668.db2.gz JCUPASKHJHSMST-QRFRQXIXSA-N 2 2 324.468 4.148 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000534954346 334352438 /nfs/dbraw/zinc/35/24/38/334352438.db2.gz MKHCEGXAIQALTO-IBGZPJMESA-N 2 2 311.473 4.326 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000534954346 334352439 /nfs/dbraw/zinc/35/24/39/334352439.db2.gz MKHCEGXAIQALTO-IBGZPJMESA-N 2 2 311.473 4.326 20 0 DIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000125105947 334360885 /nfs/dbraw/zinc/36/08/85/334360885.db2.gz HZOHYHMYKOKDMG-GFCCVEGCSA-N 2 2 321.534 4.026 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccccc1C(C)(C)C ZINC000535087430 334368964 /nfs/dbraw/zinc/36/89/64/334368964.db2.gz HATQOYKDNPVHBQ-CVEARBPZSA-N 2 2 311.473 4.409 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1cnccc1C)[NH+](C)C ZINC000443222378 338447935 /nfs/dbraw/zinc/44/79/35/338447935.db2.gz YBGUEYQWPBBHPY-ZWOKBUDYSA-N 2 2 311.473 4.040 20 0 DIADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000341644031 334467973 /nfs/dbraw/zinc/46/79/73/334467973.db2.gz QLCGMXDAYMZXSC-OAHLLOKOSA-N 2 2 312.244 4.321 20 0 DIADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000341644030 334468021 /nfs/dbraw/zinc/46/80/21/334468021.db2.gz QLCGMXDAYMZXSC-HNNXBMFYSA-N 2 2 312.244 4.321 20 0 DIADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000341760365 334478006 /nfs/dbraw/zinc/47/80/06/334478006.db2.gz KGMCMCZNACTFIW-KRWDZBQOSA-N 2 2 323.415 4.302 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3ccc(C)cn13)CCC2 ZINC000342299825 334526382 /nfs/dbraw/zinc/52/63/82/334526382.db2.gz AMGRIHAOLBTTGU-IBGZPJMESA-N 2 2 305.425 4.118 20 0 DIADLP c1csc([C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)c1 ZINC000344140155 335221077 /nfs/dbraw/zinc/22/10/77/335221077.db2.gz ZURNRBXFMWSXGD-MRXNPFEDSA-N 2 2 315.467 4.236 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(CC(C)C)cc1)CCC2 ZINC000344524283 335255102 /nfs/dbraw/zinc/25/51/02/335255102.db2.gz YGORWCBAEXPINY-IBGZPJMESA-N 2 2 311.473 4.057 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc3ccccc13)CCC2 ZINC000344531718 335255621 /nfs/dbraw/zinc/25/56/21/335255621.db2.gz DURJBSJOHHWQGA-AWEZNQCLSA-N 2 2 311.454 4.073 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC(C(C)(C)C)CC1)CCC2 ZINC000344506078 335257107 /nfs/dbraw/zinc/25/71/07/335257107.db2.gz AIYZQPNAQANMGE-KLAILNCOSA-N 2 2 303.494 4.263 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1F ZINC000345186971 335306337 /nfs/dbraw/zinc/30/63/37/335306337.db2.gz OGHKLPMEJDBCOH-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1Cl ZINC000346176185 335377903 /nfs/dbraw/zinc/37/79/03/335377903.db2.gz NZUNRVNVEUEAOF-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1Cl ZINC000346176185 335377904 /nfs/dbraw/zinc/37/79/04/335377904.db2.gz NZUNRVNVEUEAOF-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156275 335383207 /nfs/dbraw/zinc/38/32/07/335383207.db2.gz ANGFNXRPWHYKSW-HIFRSBDPSA-N 2 2 321.515 4.040 20 0 DIADLP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156275 335383208 /nfs/dbraw/zinc/38/32/08/335383208.db2.gz ANGFNXRPWHYKSW-HIFRSBDPSA-N 2 2 321.515 4.040 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC4(C3)CCCCC4)c2)c[nH+]1 ZINC000346202561 335389818 /nfs/dbraw/zinc/38/98/18/335389818.db2.gz JNPBKMZQHNVZIN-UHFFFAOYSA-N 2 2 301.459 4.090 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC4(C3)CCCCC4)c2)c[nH+]1 ZINC000346202561 335389819 /nfs/dbraw/zinc/38/98/19/335389819.db2.gz JNPBKMZQHNVZIN-UHFFFAOYSA-N 2 2 301.459 4.090 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000346353238 335397386 /nfs/dbraw/zinc/39/73/86/335397386.db2.gz RNNNPCCTBWZJOS-MRXNPFEDSA-N 2 2 324.255 4.335 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000346353238 335397388 /nfs/dbraw/zinc/39/73/88/335397388.db2.gz RNNNPCCTBWZJOS-MRXNPFEDSA-N 2 2 324.255 4.335 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000191059436 335573286 /nfs/dbraw/zinc/57/32/86/335573286.db2.gz SNYXMKSTHKNOSZ-UHFFFAOYSA-N 2 2 323.362 4.047 20 0 DIADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000535623043 335694941 /nfs/dbraw/zinc/69/49/41/335694941.db2.gz RHBPOURMAATDPR-FQEVSTJZSA-N 2 2 311.473 4.454 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)c(F)c1 ZINC000536626015 335845511 /nfs/dbraw/zinc/84/55/11/335845511.db2.gz VQVNJYVJHJBMMB-CYBMUJFWSA-N 2 2 321.827 4.417 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2ccccc2o1 ZINC000162916715 338504785 /nfs/dbraw/zinc/50/47/85/338504785.db2.gz GLUYQFLBHHYHNZ-OAHLLOKOSA-N 2 2 309.413 4.371 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cc1C ZINC000520190899 335934969 /nfs/dbraw/zinc/93/49/69/335934969.db2.gz PWQVHXIEQDQAHR-SFHVURJKSA-N 2 2 314.498 4.292 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000583660963 336035481 /nfs/dbraw/zinc/03/54/81/336035481.db2.gz UNPMRAQPUBPLEW-CTNGQTDRSA-N 2 2 308.469 4.324 20 0 DIADLP c1cn(Cc2ccc(NCc3cccc4ccccc43)[nH+]c2)c[nH+]1 ZINC000351550316 336042692 /nfs/dbraw/zinc/04/26/92/336042692.db2.gz JXEIEODMALNVPO-UHFFFAOYSA-N 2 2 314.392 4.092 20 0 DIADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccccc1OC ZINC000324155742 336097158 /nfs/dbraw/zinc/09/71/58/336097158.db2.gz BGAYXTXJLSMSOU-QGZVFWFLSA-N 2 2 323.440 4.094 20 0 DIADLP Clc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000352345176 336213342 /nfs/dbraw/zinc/21/33/42/336213342.db2.gz JVZFZIDTHLTGRW-LBPRGKRZSA-N 2 2 310.228 4.096 20 0 DIADLP Clc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000352345176 336213343 /nfs/dbraw/zinc/21/33/43/336213343.db2.gz JVZFZIDTHLTGRW-LBPRGKRZSA-N 2 2 310.228 4.096 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000352358791 336214117 /nfs/dbraw/zinc/21/41/17/336214117.db2.gz YAJQEZBNSNHYBH-UHFFFAOYSA-N 2 2 322.408 4.180 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000324474522 336222475 /nfs/dbraw/zinc/22/24/75/336222475.db2.gz LBUJSNWBLXWZDI-HXUWFJFHSA-N 2 2 323.415 4.225 20 0 DIADLP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1F ZINC000352558765 336224638 /nfs/dbraw/zinc/22/46/38/336224638.db2.gz ZEAANCQTCYEEKG-MRXNPFEDSA-N 2 2 311.404 4.376 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000352591484 336226002 /nfs/dbraw/zinc/22/60/02/336226002.db2.gz SIPYARGFOJIFQJ-FQEVSTJZSA-N 2 2 321.468 4.026 20 0 DIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)s1 ZINC000352808607 336243591 /nfs/dbraw/zinc/24/35/91/336243591.db2.gz AMEQSDYLYRHLBK-QGZVFWFLSA-N 2 2 317.502 4.082 20 0 DIADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000532511434 336252930 /nfs/dbraw/zinc/25/29/30/336252930.db2.gz CADIHJXHQILKAL-JKSUJKDBSA-N 2 2 323.444 4.062 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375264 336261601 /nfs/dbraw/zinc/26/16/01/336261601.db2.gz XFCGLIHBZKUUDH-XSYGEPLQSA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375264 336261602 /nfs/dbraw/zinc/26/16/02/336261602.db2.gz XFCGLIHBZKUUDH-XSYGEPLQSA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375264 336261603 /nfs/dbraw/zinc/26/16/03/336261603.db2.gz XFCGLIHBZKUUDH-XSYGEPLQSA-N 2 2 300.490 4.127 20 0 DIADLP C[C@H](C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375264 336261604 /nfs/dbraw/zinc/26/16/04/336261604.db2.gz XFCGLIHBZKUUDH-XSYGEPLQSA-N 2 2 300.490 4.127 20 0 DIADLP Clc1cccc(Cl)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352853977 336280447 /nfs/dbraw/zinc/28/04/47/336280447.db2.gz QJUXIDACRLVWQH-UHFFFAOYSA-N 2 2 310.228 4.096 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000192945964 336285681 /nfs/dbraw/zinc/28/56/81/336285681.db2.gz YOFPGMPNANSMGP-INIZCTEOSA-N 2 2 323.465 4.171 20 0 DIADLP Clc1ccsc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000192975253 336286145 /nfs/dbraw/zinc/28/61/45/336286145.db2.gz NTDLZCXSCFPOMZ-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Clc1ccc2[nH+]ccc(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC000301253023 336296950 /nfs/dbraw/zinc/29/69/50/336296950.db2.gz DTTDRVPIAJZMEK-UHFFFAOYSA-N 2 2 322.799 4.191 20 0 DIADLP Cc1cccc(N2CCC(Nc3ccc4ccccc4[nH+]3)CC2)[nH+]1 ZINC000301318166 336300494 /nfs/dbraw/zinc/30/04/94/336300494.db2.gz PIGBDYLUNFXFSP-UHFFFAOYSA-N 2 2 318.424 4.019 20 0 DIADLP Cc1cc2ccccc2[nH+]c1NCCCCNc1cccc[nH+]1 ZINC000301729856 336326050 /nfs/dbraw/zinc/32/60/50/336326050.db2.gz RWPUJEICACOVCA-UHFFFAOYSA-N 2 2 306.413 4.242 20 0 DIADLP Cc1[nH+]c2ccccc2c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000302095206 336348211 /nfs/dbraw/zinc/34/82/11/336348211.db2.gz RONAPDPJWLJPCF-KUHUBIRLSA-N 2 2 320.440 4.136 20 0 DIADLP CCc1cc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nc(C)[nH+]1 ZINC000302098115 336348358 /nfs/dbraw/zinc/34/83/58/336348358.db2.gz OVLNSQAFUQKRSL-ZDUSSCGKSA-N 2 2 321.428 4.015 20 0 DIADLP CCc1cc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nc(C)[nH+]1 ZINC000302098114 336348379 /nfs/dbraw/zinc/34/83/79/336348379.db2.gz OVLNSQAFUQKRSL-CYBMUJFWSA-N 2 2 321.428 4.015 20 0 DIADLP Cc1ccc2[nH+]ccc(NCc3cn4c(cccc4C)[nH+]3)c2c1 ZINC000302177903 336352657 /nfs/dbraw/zinc/35/26/57/336352657.db2.gz XWRHRBVELDDGMU-UHFFFAOYSA-N 2 2 302.381 4.111 20 0 DIADLP Cc1c[nH+]c(CNc2ccc([NH+]3CCCCCC3)cc2C)n1C ZINC000353030683 336383055 /nfs/dbraw/zinc/38/30/55/336383055.db2.gz ASZXUGUOYWYRBP-UHFFFAOYSA-N 2 2 312.461 4.029 20 0 DIADLP c1cn(Cc2ccc(N[C@@H]3CCCCC34CCCC4)[nH+]c2)c[nH+]1 ZINC000353502751 336421239 /nfs/dbraw/zinc/42/12/39/336421239.db2.gz GVCCLFYJSISDSH-QGZVFWFLSA-N 2 2 310.445 4.241 20 0 DIADLP CC(C)CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccoc1 ZINC000353601146 336427984 /nfs/dbraw/zinc/42/79/84/336427984.db2.gz ASORPWCYPOHUBU-CTWPCTMYSA-N 2 2 304.478 4.363 20 0 DIADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c[nH+]1 ZINC000354181807 336462702 /nfs/dbraw/zinc/46/27/02/336462702.db2.gz NLBXFIISHAOUEM-RTWAWAEBSA-N 2 2 324.468 4.080 20 0 DIADLP Cc1c2cc(F)ccc2oc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354201285 336463229 /nfs/dbraw/zinc/46/32/29/336463229.db2.gz YAGAWXOUUKSSFO-UHFFFAOYSA-N 2 2 312.388 4.306 20 0 DIADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1cc(F)ccc1F ZINC000354502437 336473054 /nfs/dbraw/zinc/47/30/54/336473054.db2.gz NDXYQMLFRJRKLQ-GOSISDBHSA-N 2 2 304.384 4.342 20 0 DIADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000355067753 336493674 /nfs/dbraw/zinc/49/36/74/336493674.db2.gz WSOKEWRJMAYRFH-GOSISDBHSA-N 2 2 323.484 4.014 20 0 DIADLP CC(C)CCn1cccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000355701820 336519618 /nfs/dbraw/zinc/51/96/18/336519618.db2.gz KZWSRFZYWSUEIF-UHFFFAOYSA-N 2 2 322.456 4.010 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCCc3ccccc31)CCC2 ZINC000356614536 336556387 /nfs/dbraw/zinc/55/63/87/336556387.db2.gz AEYDWZYJRXGTSN-IEBWSBKVSA-N 2 2 309.457 4.126 20 0 DIADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(C)ccc1OC ZINC000359037023 336654592 /nfs/dbraw/zinc/65/45/92/336654592.db2.gz PSGTUDOYWAJWSP-TVPLGVNVSA-N 2 2 316.489 4.061 20 0 DIADLP CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359348079 336668702 /nfs/dbraw/zinc/66/87/02/336668702.db2.gz UEUSDHYHYKZHKE-HOTGVXAUSA-N 2 2 320.440 4.242 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)[NH+](C)C)cc1 ZINC000360856413 336724526 /nfs/dbraw/zinc/72/45/26/336724526.db2.gz GSUUDSYYGNINNL-WOJBJXKFSA-N 2 2 324.468 4.101 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H](C)c1ccccn1 ZINC000361348355 336752676 /nfs/dbraw/zinc/75/26/76/336752676.db2.gz JVXVTPCIJHAEIO-INIZCTEOSA-N 2 2 322.456 4.261 20 0 DIADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)cc1 ZINC000361659987 336767547 /nfs/dbraw/zinc/76/75/47/336767547.db2.gz JDIFUHVNSKENHU-DOTOQJQBSA-N 2 2 317.864 4.463 20 0 DIADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)cc1 ZINC000361659991 336767580 /nfs/dbraw/zinc/76/75/80/336767580.db2.gz JDIFUHVNSKENHU-NVXWUHKLSA-N 2 2 317.864 4.463 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(C)cc1)C1CC1)CCC2 ZINC000371425499 336903804 /nfs/dbraw/zinc/90/38/04/336903804.db2.gz LZEFEWBBTUVDTJ-RTBURBONSA-N 2 2 309.457 4.118 20 0 DIADLP CCCCC[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373487404 336962130 /nfs/dbraw/zinc/96/21/30/336962130.db2.gz VVJVYAYEANHRNJ-JEYLPNPQSA-N 2 2 320.443 4.350 20 0 DIADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccoc1 ZINC000375842599 337020999 /nfs/dbraw/zinc/02/09/99/337020999.db2.gz WEVXOCAYAADFFC-DOTOQJQBSA-N 2 2 301.434 4.121 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000582454060 337055065 /nfs/dbraw/zinc/05/50/65/337055065.db2.gz LIZBXUVFUTYGME-QZTJIDSGSA-N 2 2 319.452 4.213 20 0 DIADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cc(F)ccc1F ZINC000378185678 337067895 /nfs/dbraw/zinc/06/78/95/337067895.db2.gz UJGFNRVPOXGGRP-CXAGYDPISA-N 2 2 319.399 4.088 20 0 DIADLP Cc1ccc(OC2CC[NH+](CCCc3c[nH+]ccc3C)CC2)cc1 ZINC000583171883 337251907 /nfs/dbraw/zinc/25/19/07/337251907.db2.gz JRBGERJLLPTPIL-UHFFFAOYSA-N 2 2 324.468 4.174 20 0 DIADLP CCSc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000186267749 337255576 /nfs/dbraw/zinc/25/55/76/337255576.db2.gz HATRBAMPRWNJTE-MAUKXSAKSA-N 2 2 315.486 4.078 20 0 DIADLP CCSc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000186267749 337255577 /nfs/dbraw/zinc/25/55/77/337255577.db2.gz HATRBAMPRWNJTE-MAUKXSAKSA-N 2 2 315.486 4.078 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000187138541 337262872 /nfs/dbraw/zinc/26/28/72/337262872.db2.gz VXSLHHLXWFKCTP-GFCCVEGCSA-N 2 2 307.800 4.074 20 0 DIADLP c1c[nH+]c(C2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000521467240 337430226 /nfs/dbraw/zinc/43/02/26/337430226.db2.gz HAUAHHSXDGRHCR-UHFFFAOYSA-N 2 2 317.436 4.379 20 0 DIADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccccc1F ZINC000322080635 337462712 /nfs/dbraw/zinc/46/27/12/337462712.db2.gz YDJWLTFZFZRUSZ-QGZVFWFLSA-N 2 2 311.404 4.225 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000237368888 337468520 /nfs/dbraw/zinc/46/85/20/337468520.db2.gz ADZKTINFZFRZOQ-PBHICJAKSA-N 2 2 323.440 4.241 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)n1-c1ccccc1 ZINC000237859477 337469554 /nfs/dbraw/zinc/46/95/54/337469554.db2.gz PXAKWASXNKHVKW-NQIIRXRSSA-N 2 2 317.436 4.074 20 0 DIADLP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422872890 337689387 /nfs/dbraw/zinc/68/93/87/337689387.db2.gz IYXONWNCFRZILZ-QRVBRYPASA-N 2 2 316.395 4.396 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)sc1Cl)[C@H]1CCC[NH2+]C1 ZINC000423215649 337704802 /nfs/dbraw/zinc/70/48/02/337704802.db2.gz NGUFEFXPYJAZEY-UTLUCORTSA-N 2 2 307.290 4.094 20 0 DIADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423291412 337709878 /nfs/dbraw/zinc/70/98/78/337709878.db2.gz IFPYHUMOGHPXAS-HNNXBMFYSA-N 2 2 313.445 4.042 20 0 DIADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423300172 337711080 /nfs/dbraw/zinc/71/10/80/337711080.db2.gz RAHLVCYSMUPTGD-OLZOCXBDSA-N 2 2 321.465 4.117 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)Cc1ccsc1)[NH+](C)C ZINC000527488879 337745773 /nfs/dbraw/zinc/74/57/73/337745773.db2.gz GHOVCYNGPSPGMV-GJYPPUQNSA-N 2 2 316.514 4.269 20 0 DIADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](c3ccccc3)CC1)CCC2 ZINC000527666128 337757105 /nfs/dbraw/zinc/75/71/05/337757105.db2.gz MGZAHOLGJBYXMB-AABGKKOBSA-N 2 2 323.484 4.467 20 0 DIADLP CC(C)n1c[nH+]cc1C[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000424187886 337802176 /nfs/dbraw/zinc/80/21/76/337802176.db2.gz IZGCKWHNCORHDI-LBPRGKRZSA-N 2 2 301.365 4.200 20 0 DIADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000216371190 337898486 /nfs/dbraw/zinc/89/84/86/337898486.db2.gz KKIQZXGDMMUWJJ-RHSMWYFYSA-N 2 2 318.461 4.375 20 0 DIADLP CCCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000516348138 338010428 /nfs/dbraw/zinc/01/04/28/338010428.db2.gz ORQSVGLOEDUMPZ-MRXNPFEDSA-N 2 2 320.443 4.352 20 0 DIADLP CC(C)CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000516354580 338010468 /nfs/dbraw/zinc/01/04/68/338010468.db2.gz SZMFFLPEKDLXOT-ZWKOTPCHSA-N 2 2 311.473 4.424 20 0 DIADLP CC(C)CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000516354580 338010469 /nfs/dbraw/zinc/01/04/69/338010469.db2.gz SZMFFLPEKDLXOT-ZWKOTPCHSA-N 2 2 311.473 4.424 20 0 DIADLP CC(C)CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000516354579 338010476 /nfs/dbraw/zinc/01/04/76/338010476.db2.gz SZMFFLPEKDLXOT-ROUUACIJSA-N 2 2 311.473 4.424 20 0 DIADLP CC(C)CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000516354579 338010477 /nfs/dbraw/zinc/01/04/77/338010477.db2.gz SZMFFLPEKDLXOT-ROUUACIJSA-N 2 2 311.473 4.424 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc2[nH]ccc21 ZINC000426394890 338030373 /nfs/dbraw/zinc/03/03/73/338030373.db2.gz KSTMJJTWVGSYNN-UHFFFAOYSA-N 2 2 322.437 4.047 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc2[nH]ccc21 ZINC000426394890 338030374 /nfs/dbraw/zinc/03/03/74/338030374.db2.gz KSTMJJTWVGSYNN-UHFFFAOYSA-N 2 2 322.437 4.047 20 0 DIADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993526 338068049 /nfs/dbraw/zinc/06/80/49/338068049.db2.gz LPOPVASOMWHIHP-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993526 338068050 /nfs/dbraw/zinc/06/80/50/338068050.db2.gz LPOPVASOMWHIHP-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993526 338068051 /nfs/dbraw/zinc/06/80/51/338068051.db2.gz LPOPVASOMWHIHP-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3sc4ccccc4c3Cl)C2)C1 ZINC000428993526 338068052 /nfs/dbraw/zinc/06/80/52/338068052.db2.gz LPOPVASOMWHIHP-QGZVFWFLSA-N 2 2 320.889 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429016228 338068889 /nfs/dbraw/zinc/06/88/89/338068889.db2.gz BHFSFNLSMWSGLL-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429016228 338068890 /nfs/dbraw/zinc/06/88/90/338068890.db2.gz BHFSFNLSMWSGLL-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429016228 338068891 /nfs/dbraw/zinc/06/88/91/338068891.db2.gz BHFSFNLSMWSGLL-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429016228 338068892 /nfs/dbraw/zinc/06/88/92/338068892.db2.gz BHFSFNLSMWSGLL-BLLLJJGKSA-N 2 2 313.272 4.082 20 0 DIADLP Cc1cc(F)ccc1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000430107803 338097014 /nfs/dbraw/zinc/09/70/14/338097014.db2.gz ULAYATAYCCFFBD-UHFFFAOYSA-N 2 2 323.415 4.161 20 0 DIADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000430698154 338111639 /nfs/dbraw/zinc/11/16/39/338111639.db2.gz CEJBCETWNIPPSA-PWIZWCRZSA-N 2 2 311.473 4.236 20 0 DIADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000430698153 338111664 /nfs/dbraw/zinc/11/16/64/338111664.db2.gz CEJBCETWNIPPSA-NSISKUIASA-N 2 2 311.473 4.236 20 0 DIADLP CC1(C)CC([NH2+]Cc2csc(Cl)c2Cl)CC(C)(C)[NH2+]1 ZINC000432239902 338149848 /nfs/dbraw/zinc/14/98/48/338149848.db2.gz AEJAYPZROSRWBN-UHFFFAOYSA-N 2 2 321.317 4.454 20 0 DIADLP Clc1scc(C[NH2+]CCC[NH+]2CCCCC2)c1Cl ZINC000432247384 338150592 /nfs/dbraw/zinc/15/05/92/338150592.db2.gz RCNQKZAVBMDGGE-UHFFFAOYSA-N 2 2 307.290 4.021 20 0 DIADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432248927 338150712 /nfs/dbraw/zinc/15/07/12/338150712.db2.gz ANXJZLCBQCPSMB-GHMZBOCLSA-N 2 2 307.290 4.017 20 0 DIADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432250337 338150944 /nfs/dbraw/zinc/15/09/44/338150944.db2.gz IOLHEIYKBDNWRN-NEPJUHHUSA-N 2 2 319.251 4.095 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432259676 338151786 /nfs/dbraw/zinc/15/17/86/338151786.db2.gz UNUOPGJHFCJNEU-UHFFFAOYSA-N 2 2 313.203 4.168 20 0 DIADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1-c1ccccc1 ZINC000434979716 338228626 /nfs/dbraw/zinc/22/86/26/338228626.db2.gz WFWRYIBKMCFVEO-HXUWFJFHSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]2c2ccccc2)n1-c1ccccc1 ZINC000434979716 338228627 /nfs/dbraw/zinc/22/86/27/338228627.db2.gz WFWRYIBKMCFVEO-HXUWFJFHSA-N 2 2 303.409 4.128 20 0 DIADLP c1ccc(C[C@H]2CC[C@@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000436229914 338262499 /nfs/dbraw/zinc/26/24/99/338262499.db2.gz FUSSWTRKSPRXQX-WOJBJXKFSA-N 2 2 323.484 4.275 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436253933 338263816 /nfs/dbraw/zinc/26/38/16/338263816.db2.gz RJEURLHYZFNFCW-RTBURBONSA-N 2 2 319.452 4.271 20 0 DIADLP CC1(c2ccccc2)CC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000436470696 338273235 /nfs/dbraw/zinc/27/32/35/338273235.db2.gz NPPGQYXCNBNCIG-UHFFFAOYSA-N 2 2 319.452 4.205 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591642 338315306 /nfs/dbraw/zinc/31/53/06/338315306.db2.gz PIKLVLUNLIZMLU-WWNBULGVSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591642 338315307 /nfs/dbraw/zinc/31/53/07/338315307.db2.gz PIKLVLUNLIZMLU-WWNBULGVSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591642 338315308 /nfs/dbraw/zinc/31/53/08/338315308.db2.gz PIKLVLUNLIZMLU-WWNBULGVSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@H](C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000437591642 338315309 /nfs/dbraw/zinc/31/53/09/338315309.db2.gz PIKLVLUNLIZMLU-WWNBULGVSA-N 2 2 318.480 4.266 20 0 DIADLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000438107413 338332067 /nfs/dbraw/zinc/33/20/67/338332067.db2.gz VYKBEEIQJLLQAM-AYWYSENESA-N 2 2 323.484 4.276 20 0 DIADLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000438107413 338332068 /nfs/dbraw/zinc/33/20/68/338332068.db2.gz VYKBEEIQJLLQAM-AYWYSENESA-N 2 2 323.484 4.276 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000438176324 338334922 /nfs/dbraw/zinc/33/49/22/338334922.db2.gz QVBNGXLQUXUMQN-JKSUJKDBSA-N 2 2 323.415 4.293 20 0 DIADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000438176320 338334929 /nfs/dbraw/zinc/33/49/29/338334929.db2.gz QVBNGXLQUXUMQN-HOTGVXAUSA-N 2 2 323.415 4.293 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000438215125 338336771 /nfs/dbraw/zinc/33/67/71/338336771.db2.gz PVQYFFYDYNVLLQ-FPOVZHCZSA-N 2 2 323.484 4.374 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2c(s1)CCC2 ZINC000162878593 338421877 /nfs/dbraw/zinc/42/18/77/338421877.db2.gz HDGRNUXVZLNVIV-AWEZNQCLSA-N 2 2 315.486 4.175 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000442632831 338426268 /nfs/dbraw/zinc/42/62/68/338426268.db2.gz GKMTZZHWDRBKAS-CRAIPNDOSA-N 2 2 314.498 4.362 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000442777053 338430423 /nfs/dbraw/zinc/43/04/23/338430423.db2.gz FOVAHAXWYBDWOR-LSDHHAIUSA-N 2 2 315.486 4.142 20 0 DIADLP CSc1ccccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000442855982 338435091 /nfs/dbraw/zinc/43/50/91/338435091.db2.gz CQNKPWZVVGKJAM-QQFBHYJXSA-N 2 2 304.503 4.076 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000446824376 338536802 /nfs/dbraw/zinc/53/68/02/338536802.db2.gz SXBYBMHLKZYQHK-LJQANCHMSA-N 2 2 309.388 4.252 20 0 DIADLP Clc1cc(Cl)cc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000447303446 338548713 /nfs/dbraw/zinc/54/87/13/338548713.db2.gz HZKZSIMUCCMXNX-UHFFFAOYSA-N 2 2 324.255 4.139 20 0 DIADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000447539883 338555337 /nfs/dbraw/zinc/55/53/37/338555337.db2.gz IAJBWPREZZUGBX-VQTJNVASSA-N 2 2 323.484 4.236 20 0 DIADLP Clc1ccc(C2=CC[C@H]([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000449059414 338589277 /nfs/dbraw/zinc/58/92/77/338589277.db2.gz ALQGWFPRDLOQQU-SFHVURJKSA-N 2 2 315.848 4.152 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000449466236 338627385 /nfs/dbraw/zinc/62/73/85/338627385.db2.gz GKCWOQCLIAWGLW-AWEZNQCLSA-N 2 2 308.432 4.208 20 0 DIADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000459336909 339022836 /nfs/dbraw/zinc/02/28/36/339022836.db2.gz BCOJLZOIXNPCDM-SFHVURJKSA-N 2 2 317.864 4.233 20 0 DIADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000459336909 339022837 /nfs/dbraw/zinc/02/28/37/339022837.db2.gz BCOJLZOIXNPCDM-SFHVURJKSA-N 2 2 317.864 4.233 20 0 DIADLP c1cn(-c2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)c[nH+]1 ZINC000459363740 339024679 /nfs/dbraw/zinc/02/46/79/339024679.db2.gz RLUWUEYQZCVKNN-UHFFFAOYSA-N 2 2 303.409 4.040 20 0 DIADLP CC([NH2+]C1CC[NH+](C2CC2)CC1)(c1ccccc1)c1ccccc1 ZINC000459464994 339030728 /nfs/dbraw/zinc/03/07/28/339030728.db2.gz MZHVCJNXDGBRHA-UHFFFAOYSA-N 2 2 320.480 4.167 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459749468 339046034 /nfs/dbraw/zinc/04/60/34/339046034.db2.gz PDJJRPKZLQBERB-IBGZPJMESA-N 2 2 309.457 4.199 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459749468 339046035 /nfs/dbraw/zinc/04/60/35/339046035.db2.gz PDJJRPKZLQBERB-IBGZPJMESA-N 2 2 309.457 4.199 20 0 DIADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000462505050 339080360 /nfs/dbraw/zinc/08/03/60/339080360.db2.gz BKVROFBUWMVJRN-RDTXWAMCSA-N 2 2 320.440 4.136 20 0 DIADLP CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000462538446 339080863 /nfs/dbraw/zinc/08/08/63/339080863.db2.gz NVFORCSZAFPIIG-NQIIRXRSSA-N 2 2 319.452 4.384 20 0 DIADLP CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000462538445 339080881 /nfs/dbraw/zinc/08/08/81/339080881.db2.gz NVFORCSZAFPIIG-GHTZIAJQSA-N 2 2 319.452 4.384 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3c4ccccc4CCC[C@@H]3C)n2c1 ZINC000462543634 339080920 /nfs/dbraw/zinc/08/09/20/339080920.db2.gz UESXRJTTYWKPBV-HRAATJIYSA-N 2 2 319.452 4.446 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3c4ccccc4CCC[C@H]3C)c[nH+]c12 ZINC000462550424 339081198 /nfs/dbraw/zinc/08/11/98/339081198.db2.gz XMWYNCCAMBAPBY-FOIQADDNSA-N 2 2 319.452 4.446 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000462660317 339083480 /nfs/dbraw/zinc/08/34/80/339083480.db2.gz RMRSGVSHZIAZNA-IXDOHACOSA-N 2 2 306.519 4.299 20 0 DIADLP Cc1cccn2c(C[NH2+]C[C@H](c3ccccc3)C(C)C)c[nH+]c12 ZINC000462672004 339083777 /nfs/dbraw/zinc/08/37/77/339083777.db2.gz DPALYBHOWDQCFN-IBGZPJMESA-N 2 2 307.441 4.172 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CC(C)(C)C1 ZINC000462745854 339086612 /nfs/dbraw/zinc/08/66/12/339086612.db2.gz REJVZPBQNPCQLN-HOTGVXAUSA-N 2 2 313.489 4.310 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CC(C)(C)C1 ZINC000462745856 339086615 /nfs/dbraw/zinc/08/66/15/339086615.db2.gz REJVZPBQNPCQLN-JKSUJKDBSA-N 2 2 313.489 4.310 20 0 DIADLP CC(C)(C)C1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000462770669 339087763 /nfs/dbraw/zinc/08/77/63/339087763.db2.gz ZRUGJXNSJFUUOH-UHFFFAOYSA-N 2 2 303.494 4.468 20 0 DIADLP Cc1cccc(C(C)(C)C[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000462776878 339088046 /nfs/dbraw/zinc/08/80/46/339088046.db2.gz SGFZILIJMBFXNV-UHFFFAOYSA-N 2 2 307.441 4.019 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CS[C@@H](C(C)C)C3)cc2)c1C ZINC000463032666 339102004 /nfs/dbraw/zinc/10/20/04/339102004.db2.gz ISJBSIXOKFRGTO-SJLPKXTDSA-N 2 2 315.486 4.431 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000463073089 339104207 /nfs/dbraw/zinc/10/42/07/339104207.db2.gz XXMCYBABUMSZMU-UHFFFAOYSA-N 2 2 318.892 4.083 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000463278039 339112988 /nfs/dbraw/zinc/11/29/88/339112988.db2.gz UTBJNOOTXUUYJW-YOEHRIQHSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463280662 339113095 /nfs/dbraw/zinc/11/30/95/339113095.db2.gz INHUHAIPKZWTRP-HNNXBMFYSA-N 2 2 320.908 4.473 20 0 DIADLP Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000466405496 339202878 /nfs/dbraw/zinc/20/28/78/339202878.db2.gz HJGSLFMXRZEMRJ-WKILWMFISA-N 2 2 323.465 4.278 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000466424538 339204272 /nfs/dbraw/zinc/20/42/72/339204272.db2.gz INZUHNOSOIUPMH-AWEZNQCLSA-N 2 2 311.454 4.215 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCC(C)C)CCC2 ZINC000468557244 339266359 /nfs/dbraw/zinc/26/63/59/339266359.db2.gz XUAVJNJIORTLQD-SQNIBIBYSA-N 2 2 303.494 4.263 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C)CCC2 ZINC000468557242 339266421 /nfs/dbraw/zinc/26/64/21/339266421.db2.gz XUAVJNJIORTLQD-FGTMMUONSA-N 2 2 303.494 4.263 20 0 DIADLP CC[NH+](CC)Cc1ccc(NCc2c(C)[nH+]c3ccccn32)cc1 ZINC000468874454 339273269 /nfs/dbraw/zinc/27/32/69/339273269.db2.gz FIZQIUASHWSIJJ-UHFFFAOYSA-N 2 2 322.456 4.097 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469744229 339297454 /nfs/dbraw/zinc/29/74/54/339297454.db2.gz ZIYIVLUSPSCYHX-ROUUACIJSA-N 2 2 316.832 4.339 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469741833 339297591 /nfs/dbraw/zinc/29/75/91/339297591.db2.gz MMBDRXCVFJQYKW-SWLSCSKDSA-N 2 2 320.795 4.088 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469741833 339297592 /nfs/dbraw/zinc/29/75/92/339297592.db2.gz MMBDRXCVFJQYKW-SWLSCSKDSA-N 2 2 320.795 4.088 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000469776268 339298934 /nfs/dbraw/zinc/29/89/34/339298934.db2.gz POAKBJCPODWQCG-OAGGEKHMSA-N 2 2 323.550 4.285 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363150 339318294 /nfs/dbraw/zinc/31/82/94/339318294.db2.gz NHTGDUWDDPIXFE-RHSMWYFYSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000470363150 339318295 /nfs/dbraw/zinc/31/82/95/339318295.db2.gz NHTGDUWDDPIXFE-RHSMWYFYSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(F)c1 ZINC000471597722 339348815 /nfs/dbraw/zinc/34/88/15/339348815.db2.gz GSRRMMDRFSAJOA-DOXZYTNZSA-N 2 2 300.421 4.168 20 0 DIADLP C[C@H](CCc1ccsc1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471609218 339349375 /nfs/dbraw/zinc/34/93/75/339349375.db2.gz IQCCIQFCEQWSHE-JTDSTZFVSA-N 2 2 316.514 4.350 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000471610155 339349398 /nfs/dbraw/zinc/34/93/98/339349398.db2.gz LYWFYQLMGKGGSG-YRNRMSPPSA-N 2 2 312.457 4.037 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000471611814 339349572 /nfs/dbraw/zinc/34/95/72/339349572.db2.gz RIECTHHOZOPXLY-MRUHUIDDSA-N 2 2 324.468 4.059 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000471618978 339349823 /nfs/dbraw/zinc/34/98/23/339349823.db2.gz LLPHHWHOHREIPY-YZVOILCLSA-N 2 2 300.421 4.168 20 0 DIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147044 339382791 /nfs/dbraw/zinc/38/27/91/339382791.db2.gz VQRMEQWUJGZWOG-FOIQADDNSA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147044 339382792 /nfs/dbraw/zinc/38/27/92/339382792.db2.gz VQRMEQWUJGZWOG-FOIQADDNSA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147045 339382862 /nfs/dbraw/zinc/38/28/62/339382862.db2.gz VQRMEQWUJGZWOG-MGPUTAFESA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2c1C ZINC000473147045 339382863 /nfs/dbraw/zinc/38/28/63/339382863.db2.gz VQRMEQWUJGZWOG-MGPUTAFESA-N 2 2 322.456 4.064 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000474030953 339397813 /nfs/dbraw/zinc/39/78/13/339397813.db2.gz GWRNPSYNUQFQDY-MAUKXSAKSA-N 2 2 324.459 4.401 20 0 DIADLP c1csc([C@@H](C[NH2+][C@H]2CCC23CCCC3)[NH+]2CCCC2)c1 ZINC000474037005 339398241 /nfs/dbraw/zinc/39/82/41/339398241.db2.gz SAFDEUYREAUYRN-WBVHZDCISA-N 2 2 304.503 4.197 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCC(F)(F)CC1 ZINC000474049580 339399211 /nfs/dbraw/zinc/39/92/11/339399211.db2.gz ZVWLJOCJQXMGRD-CQSZACIVSA-N 2 2 311.420 4.077 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059416 339399935 /nfs/dbraw/zinc/39/99/35/339399935.db2.gz SFVKUAPSHGPGDC-MAUKXSAKSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059416 339399936 /nfs/dbraw/zinc/39/99/36/339399936.db2.gz SFVKUAPSHGPGDC-MAUKXSAKSA-N 2 2 322.443 4.065 20 0 DIADLP Cc1ccc(CCCNc2cccc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC000474393689 339412239 /nfs/dbraw/zinc/41/22/39/339412239.db2.gz GFIBNCXIRAUYTD-UHFFFAOYSA-N 2 2 323.484 4.421 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000474471013 339415980 /nfs/dbraw/zinc/41/59/80/339415980.db2.gz LBBYLCYHBOXECH-CABCVRRESA-N 2 2 300.368 4.033 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccccc2OC2CCCC2)c[nH+]1 ZINC000474599370 339419322 /nfs/dbraw/zinc/41/93/22/339419322.db2.gz KRKBNWDGCGUDIV-UHFFFAOYSA-N 2 2 324.468 4.434 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000474608296 339419741 /nfs/dbraw/zinc/41/97/41/339419741.db2.gz RRVLIDWZICTGSA-MRXNPFEDSA-N 2 2 318.480 4.349 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c[nH+]1 ZINC000474731480 339424446 /nfs/dbraw/zinc/42/44/46/339424446.db2.gz VNEXOOXYIITHLP-AWEZNQCLSA-N 2 2 317.502 4.427 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc3ncsc3c2)c[nH+]1 ZINC000474947506 339432937 /nfs/dbraw/zinc/43/29/37/339432937.db2.gz YATYHLMPOBRYJP-AWEZNQCLSA-N 2 2 311.454 4.283 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC(F)(c3ccccc3)CC2)c[nH+]1 ZINC000475208781 339441657 /nfs/dbraw/zinc/44/16/57/339441657.db2.gz RHESAGAUCRQAFW-UHFFFAOYSA-N 2 2 312.432 4.283 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c[nH+]1 ZINC000475556306 339454888 /nfs/dbraw/zinc/45/48/88/339454888.db2.gz UFPYANCNKPWQLD-AZUAARDMSA-N 2 2 312.432 4.388 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCCC2)cc1 ZINC000479297807 339530693 /nfs/dbraw/zinc/53/06/93/339530693.db2.gz XDWFJMGKXDUECM-TZIWHRDSSA-N 2 2 323.484 4.418 20 0 DIADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479534307 339539828 /nfs/dbraw/zinc/53/98/28/339539828.db2.gz DIIBVOWKUUIWLR-KLAILNCOSA-N 2 2 312.457 4.409 20 0 DIADLP Clc1sccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000480378627 339571428 /nfs/dbraw/zinc/57/14/28/339571428.db2.gz SLHKFGZGFGTIKA-UHFFFAOYSA-N 2 2 312.910 4.288 20 0 DIADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000480770928 339586459 /nfs/dbraw/zinc/58/64/59/339586459.db2.gz QMLJNCDOXUDOIA-UKRRQHHQSA-N 2 2 323.893 4.086 20 0 DIADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000481403591 339603249 /nfs/dbraw/zinc/60/32/49/339603249.db2.gz MHDROTRBWBGUEO-INIZCTEOSA-N 2 2 307.441 4.463 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000481407035 339603404 /nfs/dbraw/zinc/60/34/04/339603404.db2.gz RFKDRUPAGBWVHJ-MRXNPFEDSA-N 2 2 307.441 4.463 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@H](c4ccccc4F)C3)n2c1 ZINC000481813271 339614479 /nfs/dbraw/zinc/61/44/79/339614479.db2.gz ISNSSFJYHZOOMI-HOTGVXAUSA-N 2 2 323.415 4.208 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc3c(c1)CCCC3)CCC2 ZINC000483431302 339665438 /nfs/dbraw/zinc/66/54/38/339665438.db2.gz AWEAQQDBLMYEPB-OXQOHEQNSA-N 2 2 323.484 4.299 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2ccccc2c1 ZINC000484277269 339683602 /nfs/dbraw/zinc/68/36/02/339683602.db2.gz CCIXBYZIGIRMFM-MRXNPFEDSA-N 2 2 305.425 4.388 20 0 DIADLP CCCOc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000484310027 339684601 /nfs/dbraw/zinc/68/46/01/339684601.db2.gz PSUXDUFZEWRACX-INIZCTEOSA-N 2 2 313.445 4.023 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498796619 340023399 /nfs/dbraw/zinc/02/33/99/340023399.db2.gz WAXNKVUNCVIMQS-FQEVSTJZSA-N 2 2 310.416 4.297 20 0 DIADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCCCC2)c2cccs2)CC1 ZINC000500037614 340049031 /nfs/dbraw/zinc/04/90/31/340049031.db2.gz KADQQBDHBMQHHN-KRWDZBQOSA-N 2 2 306.519 4.443 20 0 DIADLP CC[C@H]1C[C@]1([NH2+]Cc1c[nH+]c2c(C)cccn12)c1cccc(C)c1 ZINC000500507278 340061086 /nfs/dbraw/zinc/06/10/86/340061086.db2.gz INWOOONDFXQOBV-LAUBAEHRSA-N 2 2 319.452 4.366 20 0 DIADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321404 340099660 /nfs/dbraw/zinc/09/96/60/340099660.db2.gz NVANNVCEACZKBP-IUYMFKLXSA-N 2 2 321.468 4.112 20 0 DIADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321404 340099661 /nfs/dbraw/zinc/09/96/61/340099661.db2.gz NVANNVCEACZKBP-IUYMFKLXSA-N 2 2 321.468 4.112 20 0 DIADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321079 340099710 /nfs/dbraw/zinc/09/97/10/340099710.db2.gz WNWQGFJLFXAXQE-GOSISDBHSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321079 340099711 /nfs/dbraw/zinc/09/97/11/340099711.db2.gz WNWQGFJLFXAXQE-GOSISDBHSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502328355 340099902 /nfs/dbraw/zinc/09/99/02/340099902.db2.gz VRSVTVFGRYKVSD-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502328355 340099903 /nfs/dbraw/zinc/09/99/03/340099903.db2.gz VRSVTVFGRYKVSD-IBGZPJMESA-N 2 2 323.484 4.216 20 0 DIADLP FC1(F)CCC(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000503059315 340119915 /nfs/dbraw/zinc/11/99/15/340119915.db2.gz GCUXVFRIXWCHQC-SFHVURJKSA-N 2 2 322.443 4.066 20 0 DIADLP FC1(F)CCC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000503059315 340119916 /nfs/dbraw/zinc/11/99/16/340119916.db2.gz GCUXVFRIXWCHQC-SFHVURJKSA-N 2 2 322.443 4.066 20 0 DIADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000504899508 340155330 /nfs/dbraw/zinc/15/53/30/340155330.db2.gz IBLKJADBPPQWAD-MAUKXSAKSA-N 2 2 305.425 4.023 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2Cl)CC1 ZINC000506385563 340193876 /nfs/dbraw/zinc/19/38/76/340193876.db2.gz ZLUAATBKJXPWAR-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2Cl)CC1 ZINC000506385563 340193877 /nfs/dbraw/zinc/19/38/77/340193877.db2.gz ZLUAATBKJXPWAR-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506674251 340199123 /nfs/dbraw/zinc/19/91/23/340199123.db2.gz JZCHKGQTNPFKNV-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506674251 340199124 /nfs/dbraw/zinc/19/91/24/340199124.db2.gz JZCHKGQTNPFKNV-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000506689811 340199527 /nfs/dbraw/zinc/19/95/27/340199527.db2.gz MUYXBXLCAAOQQH-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000506689811 340199528 /nfs/dbraw/zinc/19/95/28/340199528.db2.gz MUYXBXLCAAOQQH-UHFFFAOYSA-N 2 2 316.420 4.002 20 0 DIADLP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507465532 340220917 /nfs/dbraw/zinc/22/09/17/340220917.db2.gz BELPEVSSKRQONJ-HUUCEWRRSA-N 2 2 320.443 4.209 20 0 DIADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507489181 340222475 /nfs/dbraw/zinc/22/24/75/340222475.db2.gz WNODKPKPLYAZQR-HOTGVXAUSA-N 2 2 320.443 4.208 20 0 DIADLP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507512699 340223461 /nfs/dbraw/zinc/22/34/61/340223461.db2.gz QHLJXUSOWGAXJY-CQSZACIVSA-N 2 2 308.432 4.209 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396257 340297953 /nfs/dbraw/zinc/29/79/53/340297953.db2.gz SVCJSVDYTKTCJH-CXUGJCBMSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396257 340297954 /nfs/dbraw/zinc/29/79/54/340297954.db2.gz SVCJSVDYTKTCJH-CXUGJCBMSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396257 340297955 /nfs/dbraw/zinc/29/79/55/340297955.db2.gz SVCJSVDYTKTCJH-CXUGJCBMSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000510396257 340297956 /nfs/dbraw/zinc/29/79/56/340297956.db2.gz SVCJSVDYTKTCJH-CXUGJCBMSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196200 340351806 /nfs/dbraw/zinc/35/18/06/340351806.db2.gz NMQNKPOMYSLSOV-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196200 340351807 /nfs/dbraw/zinc/35/18/07/340351807.db2.gz NMQNKPOMYSLSOV-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000512196200 340351808 /nfs/dbraw/zinc/35/18/08/340351808.db2.gz NMQNKPOMYSLSOV-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000512196200 340351809 /nfs/dbraw/zinc/35/18/09/340351809.db2.gz NMQNKPOMYSLSOV-JKSUJKDBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212688 340352591 /nfs/dbraw/zinc/35/25/91/340352591.db2.gz ODJDFDHNUKIKLC-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2F)C1 ZINC000512212688 340352592 /nfs/dbraw/zinc/35/25/92/340352592.db2.gz ODJDFDHNUKIKLC-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000512212688 340352593 /nfs/dbraw/zinc/35/25/93/340352593.db2.gz ODJDFDHNUKIKLC-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000512212688 340352594 /nfs/dbraw/zinc/35/25/94/340352594.db2.gz ODJDFDHNUKIKLC-HZPDHXFCSA-N 2 2 322.443 4.051 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000513083946 340392662 /nfs/dbraw/zinc/39/26/62/340392662.db2.gz RGSYNPNAEUZXJL-RBUKOAKNSA-N 2 2 323.465 4.360 20 0 DIADLP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513204899 340397081 /nfs/dbraw/zinc/39/70/81/340397081.db2.gz WWJRRYZTSZBTSW-HUUCEWRRSA-N 2 2 320.443 4.209 20 0 DIADLP C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185087794 340498054 /nfs/dbraw/zinc/49/80/54/340498054.db2.gz PTKOHOFVSZFMNJ-MGPUTAFESA-N 2 2 305.425 4.138 20 0 DIADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)C1CCSCC1 ZINC000186907583 340516746 /nfs/dbraw/zinc/51/67/46/340516746.db2.gz SIJHPSOISAJFCM-GDBMZVCRSA-N 2 2 324.559 4.006 20 0 DIADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cc(Cl)ccc1Cl ZINC000189468939 340536441 /nfs/dbraw/zinc/53/64/41/340536441.db2.gz LYQOFYKNRURZLE-NSHDSACASA-N 2 2 320.223 4.492 20 0 DIADLP Clc1ccsc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000193136451 340572836 /nfs/dbraw/zinc/57/28/36/340572836.db2.gz IICGEIYCSPFYDD-UHFFFAOYSA-N 2 2 312.910 4.288 20 0 DIADLP C[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000194252227 340590387 /nfs/dbraw/zinc/59/03/87/340590387.db2.gz SSSUFTHLNKUAKD-CQSZACIVSA-N 2 2 320.443 4.352 20 0 DIADLP CCOc1cccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000236904034 340666183 /nfs/dbraw/zinc/66/61/83/340666183.db2.gz YMZFYXQOQVNRDX-NRFANRHFSA-N 2 2 324.468 4.012 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)[NH+]2CCCC2)cc1 ZINC000529537856 340760814 /nfs/dbraw/zinc/76/08/14/340760814.db2.gz HPOXEYQSOGQHEJ-MAUKXSAKSA-N 2 2 322.443 4.155 20 0 DIADLP Fc1ccc([C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000538100006 340809245 /nfs/dbraw/zinc/80/92/45/340809245.db2.gz ALVGTOSZEGXKLZ-FQEVSTJZSA-N 2 2 321.399 4.252 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000539500065 340887813 /nfs/dbraw/zinc/88/78/13/340887813.db2.gz PKJBEVXLOUULEZ-GJZGRUSLSA-N 2 2 311.429 4.239 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000540140479 340916300 /nfs/dbraw/zinc/91/63/00/340916300.db2.gz KMSQSWBGLAUYRQ-GOSISDBHSA-N 2 2 300.833 4.253 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000540802180 340946301 /nfs/dbraw/zinc/94/63/01/340946301.db2.gz LAHRKZUAFPQTOC-SJORKVTESA-N 2 2 311.473 4.064 20 0 DIADLP C[C@H]1CC[N@H+](CCCc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000542208780 341000244 /nfs/dbraw/zinc/00/02/44/341000244.db2.gz BLFRFDMFYFJEGO-YJBOKZPZSA-N 2 2 317.864 4.052 20 0 DIADLP C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000542208780 341000245 /nfs/dbraw/zinc/00/02/45/341000245.db2.gz BLFRFDMFYFJEGO-YJBOKZPZSA-N 2 2 317.864 4.052 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000070982401 341020875 /nfs/dbraw/zinc/02/08/75/341020875.db2.gz BGIOFHADFPYSKU-UZLBHIALSA-N 2 2 324.468 4.157 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)c1ccccc1 ZINC000543394665 341041776 /nfs/dbraw/zinc/04/17/76/341041776.db2.gz XJIPBPPCEOMEQL-HOCLYGCPSA-N 2 2 316.411 4.390 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)CC2CCCCC2)CC1 ZINC000543636413 341052406 /nfs/dbraw/zinc/05/24/06/341052406.db2.gz WJYYBNPDMATULS-QGZVFWFLSA-N 2 2 324.553 4.072 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000131127210 341062119 /nfs/dbraw/zinc/06/21/19/341062119.db2.gz GJUKXMNJBITCFD-MOPGFXCFSA-N 2 2 309.457 4.200 20 0 DIADLP Cc1cccc([C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543991164 341065539 /nfs/dbraw/zinc/06/55/39/341065539.db2.gz LUHKUCIWJKCGFP-GOSISDBHSA-N 2 2 311.473 4.445 20 0 DIADLP Cc1ccc([C@H](C)[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544348880 341077297 /nfs/dbraw/zinc/07/72/97/341077297.db2.gz SLBFNORFNSJYNP-HNNXBMFYSA-N 2 2 311.454 4.435 20 0 DIADLP Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544348880 341077298 /nfs/dbraw/zinc/07/72/98/341077298.db2.gz SLBFNORFNSJYNP-HNNXBMFYSA-N 2 2 311.454 4.435 20 0 DIADLP CS[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000544386124 341079611 /nfs/dbraw/zinc/07/96/11/341079611.db2.gz SSDKOXFUPDAWBB-YOEHRIQHSA-N 2 2 317.502 4.301 20 0 DIADLP Cc1ccccc1C([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1C ZINC000544828848 341095128 /nfs/dbraw/zinc/09/51/28/341095128.db2.gz ALLYENNPUYXWDF-OALUTQOASA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccccc1C([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1C ZINC000544828848 341095129 /nfs/dbraw/zinc/09/51/29/341095129.db2.gz ALLYENNPUYXWDF-OALUTQOASA-N 2 2 322.496 4.465 20 0 DIADLP C[NH+](C)CC1(C[NH2+][C@@H](c2ccco2)c2ccccc2)CCCC1 ZINC000544897449 341098166 /nfs/dbraw/zinc/09/81/66/341098166.db2.gz LOBICYQFOYCILN-LJQANCHMSA-N 2 2 312.457 4.081 20 0 DIADLP C[NH+](C)CC1(C[NH2+][C@H](c2ccco2)c2ccccc2)CCCC1 ZINC000544897447 341098227 /nfs/dbraw/zinc/09/82/27/341098227.db2.gz LOBICYQFOYCILN-IBGZPJMESA-N 2 2 312.457 4.081 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132246802 341119274 /nfs/dbraw/zinc/11/92/74/341119274.db2.gz NZBDHJITKZVECU-GOSISDBHSA-N 2 2 319.452 4.133 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000547395566 341210736 /nfs/dbraw/zinc/21/07/36/341210736.db2.gz SUKZVGDESYROGT-DGCLKSJQSA-N 2 2 313.272 4.055 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000547395566 341210737 /nfs/dbraw/zinc/21/07/37/341210737.db2.gz SUKZVGDESYROGT-DGCLKSJQSA-N 2 2 313.272 4.055 20 0 DIADLP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000564324800 341222168 /nfs/dbraw/zinc/22/21/68/341222168.db2.gz IELGFBVEIPRUKD-FQEVSTJZSA-N 2 2 312.457 4.414 20 0 DIADLP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000564324800 341222169 /nfs/dbraw/zinc/22/21/69/341222169.db2.gz IELGFBVEIPRUKD-FQEVSTJZSA-N 2 2 312.457 4.414 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000549041061 341284371 /nfs/dbraw/zinc/28/43/71/341284371.db2.gz YZZJIEFYUXLQJO-KFKAGJAMSA-N 2 2 318.892 4.083 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549145588 341287140 /nfs/dbraw/zinc/28/71/40/341287140.db2.gz CIULOEZIVRPSIB-UXPWSPDFSA-N 2 2 317.436 4.154 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549235792 341289346 /nfs/dbraw/zinc/28/93/46/341289346.db2.gz OBEOIIYMCOTAIN-WDSOQIARSA-N 2 2 309.457 4.056 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000549527411 341296474 /nfs/dbraw/zinc/29/64/74/341296474.db2.gz JTPQDNOCLXZIMM-UHFFFAOYSA-N 2 2 311.473 4.293 20 0 DIADLP c1cn(CCCC2CC[NH+]([C@H]3C=CCCCCC3)CC2)c[nH+]1 ZINC000549932375 341307259 /nfs/dbraw/zinc/30/72/59/341307259.db2.gz PNHVCXSYUZZLPA-IBGZPJMESA-N 2 2 301.478 4.264 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC=C(C)CC2)c(C)c1 ZINC000551316515 341338392 /nfs/dbraw/zinc/33/83/92/341338392.db2.gz IGPSKKGNPMKOSK-ICSRJNTNSA-N 2 2 309.457 4.330 20 0 DIADLP CCCCc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000551565250 341345767 /nfs/dbraw/zinc/34/57/67/341345767.db2.gz SMGMPHGCFSFSTE-INIZCTEOSA-N 2 2 311.473 4.413 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551572866 341346096 /nfs/dbraw/zinc/34/60/96/341346096.db2.gz XOOCOASLMYNDQJ-KBPBESRZSA-N 2 2 317.864 4.155 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC[C@@H](c3ccccc3)C1)CCCC2 ZINC000551620467 341347357 /nfs/dbraw/zinc/34/73/57/341347357.db2.gz XRFMUNVGPGMQET-MOPGFXCFSA-N 2 2 323.484 4.426 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551790191 341351752 /nfs/dbraw/zinc/35/17/52/341351752.db2.gz XIIMOMNTRQIMSJ-KBRIMQKVSA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551790191 341351753 /nfs/dbraw/zinc/35/17/53/341351753.db2.gz XIIMOMNTRQIMSJ-KBRIMQKVSA-N 2 2 324.871 4.250 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2c(s1)CCCC2 ZINC000551814510 341352892 /nfs/dbraw/zinc/35/28/92/341352892.db2.gz QYGAPMSRCNTVJW-ZDUSSCGKSA-N 2 2 315.486 4.011 20 0 DIADLP c1[nH]cc(C2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)[nH+]1 ZINC000552076776 341367971 /nfs/dbraw/zinc/36/79/71/341367971.db2.gz FEPAXODSRSEESR-UHFFFAOYSA-N 2 2 317.436 4.456 20 0 DIADLP CC(C)(C)C(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000556208883 341497261 /nfs/dbraw/zinc/49/72/61/341497261.db2.gz GCVUQTYQRZYGOR-UHFFFAOYSA-N 2 2 308.432 4.065 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000155698830 341611576 /nfs/dbraw/zinc/61/15/76/341611576.db2.gz PIEIIASSFUHBAH-ZDUSSCGKSA-N 2 2 315.417 4.102 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000155714064 341611800 /nfs/dbraw/zinc/61/18/00/341611800.db2.gz OXCWRUWKOHAVRQ-MRXNPFEDSA-N 2 2 307.397 4.026 20 0 DIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000177582970 341921523 /nfs/dbraw/zinc/92/15/23/341921523.db2.gz IQRNEHOTHQNFHN-HNAYVOBHSA-N 2 2 316.489 4.290 20 0 DIADLP CC(C)C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000156140818 519397184 /nfs/dbraw/zinc/39/71/84/519397184.db2.gz MXRWGSOZXBDBHZ-IBGZPJMESA-N 2 2 322.456 4.268 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+]Cc3ccsc3)ccc2n1C1CC1 ZINC000338433694 522483186 /nfs/dbraw/zinc/48/31/86/522483186.db2.gz CGBGQAYBJYDPLM-UHFFFAOYSA-N 2 2 311.454 4.285 20 0 DIADLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181756117 523221315 /nfs/dbraw/zinc/22/13/15/523221315.db2.gz MAYSYZAKGKLWDO-SQGPQFPESA-N 2 2 315.505 4.165 20 0 DIADLP C[NH+]1CCC([NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)CC1 ZINC000237073750 523777670 /nfs/dbraw/zinc/77/76/70/523777670.db2.gz PCQYVMYCXRUFLN-NRFANRHFSA-N 2 2 320.436 4.206 20 0 DIADLP Fc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000339379617 526416688 /nfs/dbraw/zinc/41/66/88/526416688.db2.gz NMDRQEOQKPPKJQ-QGZVFWFLSA-N 2 2 321.399 4.001 20 0 DIADLP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000339379617 526416695 /nfs/dbraw/zinc/41/66/95/526416695.db2.gz NMDRQEOQKPPKJQ-QGZVFWFLSA-N 2 2 321.399 4.001 20 0 DIADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCSc4ccccc43)[nH]c2c1 ZINC000156155951 526499758 /nfs/dbraw/zinc/49/97/58/526499758.db2.gz IFQYWZDDBOBPJK-HNNXBMFYSA-N 2 2 323.465 4.322 20 0 DIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]CC3CC3)cc2)c[nH+]1 ZINC000236720581 526535432 /nfs/dbraw/zinc/53/54/32/526535432.db2.gz NYZKRZUNWUANOC-UHFFFAOYSA-N 2 2 317.436 4.098 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000129457066 527677324 /nfs/dbraw/zinc/67/73/24/527677324.db2.gz QQMKCAHHZCHINB-CABCVRRESA-N 2 2 323.362 4.083 20 0 DIADLP FC(F)Sc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266937836 527697680 /nfs/dbraw/zinc/69/76/80/527697680.db2.gz QDYXSDMYSOIUPO-ZDUSSCGKSA-N 2 2 323.412 4.104 20 0 DIADLP FC(F)Sc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266937836 527697682 /nfs/dbraw/zinc/69/76/82/527697682.db2.gz QDYXSDMYSOIUPO-ZDUSSCGKSA-N 2 2 323.412 4.104 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000284393798 535020316 /nfs/dbraw/zinc/02/03/16/535020316.db2.gz PIECBOZDFJRTOH-ZIAGYGMSSA-N 2 2 321.852 4.063 20 0 DIADLP CC(C)(C)c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]c1 ZINC001165051150 721978888 /nfs/dbraw/zinc/97/88/88/721978888.db2.gz ZIUWXFWCYJDGRY-GOSISDBHSA-N 2 2 315.505 4.224 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000037977256 1042266890 /nfs/dbraw/zinc/26/68/90/1042266890.db2.gz HFDCKDLMMOOBRZ-SNVBAGLBSA-N 2 2 319.251 4.267 20 0 DIADLP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CCC2)cc1 ZINC000119273942 1035751411 /nfs/dbraw/zinc/75/14/11/1035751411.db2.gz JXFAVNUCZTXMMT-NRFANRHFSA-N 2 2 321.468 4.181 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1c(F)cccc1F ZINC000183190201 1035894236 /nfs/dbraw/zinc/89/42/36/1035894236.db2.gz BGRWXUCRIHQDHS-SOUVJXGZSA-N 2 2 322.443 4.268 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1c(F)cccc1F ZINC000183190201 1035894251 /nfs/dbraw/zinc/89/42/51/1035894251.db2.gz BGRWXUCRIHQDHS-SOUVJXGZSA-N 2 2 322.443 4.268 20 0 DIADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000037320203 1036021604 /nfs/dbraw/zinc/02/16/04/1036021604.db2.gz IPBGKSIGEIWJPN-XHDPSFHLSA-N 2 2 312.244 4.319 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180775244 1036085686 /nfs/dbraw/zinc/08/56/86/1036085686.db2.gz FPNXILHLUQZBCV-UHFFFAOYSA-N 2 2 314.429 4.034 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2Cl)C2CCCC2)CC1 ZINC001204438110 1036114531 /nfs/dbraw/zinc/11/45/31/1036114531.db2.gz ICMOBBOMGJNOCD-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2Cl)C2CCCC2)CC1 ZINC001204438110 1036114539 /nfs/dbraw/zinc/11/45/39/1036114539.db2.gz ICMOBBOMGJNOCD-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155110422 1036127879 /nfs/dbraw/zinc/12/78/79/1036127879.db2.gz IEGGCIOOBBDOIG-VLIAUNLRSA-N 2 2 321.399 4.350 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccoc2)c(C)c1 ZINC000537951023 1036173059 /nfs/dbraw/zinc/17/30/59/1036173059.db2.gz WDSKBWNBSHQGDA-QFBILLFUSA-N 2 2 309.413 4.185 20 0 DIADLP c1ccc(N2CCC([NH2+]CCCC3CCCCC3)CC2)[nH+]c1 ZINC000153538978 1037204154 /nfs/dbraw/zinc/20/41/54/1037204154.db2.gz BGIMVQPHLMZVKL-UHFFFAOYSA-N 2 2 301.478 4.001 20 0 DIADLP CC(C)[N@H+](Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001137688424 1037301577 /nfs/dbraw/zinc/30/15/77/1037301577.db2.gz XRMDTFDVNQJOMJ-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP CC(C)[N@@H+](Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001137688424 1037301592 /nfs/dbraw/zinc/30/15/92/1037301592.db2.gz XRMDTFDVNQJOMJ-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP Cc1ccc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979283 1037394331 /nfs/dbraw/zinc/39/43/31/1037394331.db2.gz PADJRARPRAFMIY-APWZRJJASA-N 2 2 309.457 4.021 20 0 DIADLP Cc1ccc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979283 1037394345 /nfs/dbraw/zinc/39/43/45/1037394345.db2.gz PADJRARPRAFMIY-APWZRJJASA-N 2 2 309.457 4.021 20 0 DIADLP Cc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000581717065 1037942762 /nfs/dbraw/zinc/94/27/62/1037942762.db2.gz SAARFMJRKRVRGE-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP Cc1cccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000581717065 1037942773 /nfs/dbraw/zinc/94/27/73/1037942773.db2.gz SAARFMJRKRVRGE-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP C[NH+](C)C(C)(C)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000060832524 1038049585 /nfs/dbraw/zinc/04/95/85/1038049585.db2.gz OXMVKSZMLUGYHY-UHFFFAOYSA-N 2 2 306.453 4.423 20 0 DIADLP Cc1ncc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000090418411 1038114336 /nfs/dbraw/zinc/11/43/36/1038114336.db2.gz KSMOOAYNIHRHIG-OLZOCXBDSA-N 2 2 312.442 4.049 20 0 DIADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000604414373 1038411951 /nfs/dbraw/zinc/41/19/51/1038411951.db2.gz NSSFIYTWIZOWRA-UHFFFAOYSA-N 2 2 322.399 4.046 20 0 DIADLP CC(C[NH+](C)Cc1ccsc1)C[N@H+](C)Cc1ccsc1 ZINC000605572074 1038537187 /nfs/dbraw/zinc/53/71/87/1038537187.db2.gz JSCRYUMAYMKSGS-UHFFFAOYSA-N 2 2 308.516 4.010 20 0 DIADLP CC(C[NH+](C)Cc1ccsc1)C[N@@H+](C)Cc1ccsc1 ZINC000605572074 1038537190 /nfs/dbraw/zinc/53/71/90/1038537190.db2.gz JSCRYUMAYMKSGS-UHFFFAOYSA-N 2 2 308.516 4.010 20 0 DIADLP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152095718 1038568574 /nfs/dbraw/zinc/56/85/74/1038568574.db2.gz NOZLLLSBRDJQOB-NRFANRHFSA-N 2 2 317.436 4.017 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000152095019 1038569294 /nfs/dbraw/zinc/56/92/94/1038569294.db2.gz LYPJWOBOSCCSJA-NRFANRHFSA-N 2 2 319.452 4.481 20 0 DIADLP c1cn(CC[N@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC001167550170 1038591131 /nfs/dbraw/zinc/59/11/31/1038591131.db2.gz RYURMXCMZYGOQJ-UXHICEINSA-N 2 2 315.505 4.487 20 0 DIADLP c1cn(CC[N@@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC001167550170 1038591142 /nfs/dbraw/zinc/59/11/42/1038591142.db2.gz RYURMXCMZYGOQJ-UXHICEINSA-N 2 2 315.505 4.487 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OC)c1 ZINC000152224703 1038593532 /nfs/dbraw/zinc/59/35/32/1038593532.db2.gz XFMUMOQCZNFJJU-IBGZPJMESA-N 2 2 321.424 4.122 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCSc3ccccc32)c[nH+]1 ZINC000152228310 1038594827 /nfs/dbraw/zinc/59/48/27/1038594827.db2.gz MQSOAVZXSKBRNN-QGZVFWFLSA-N 2 2 321.449 4.199 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCSc3ccccc32)c[nH+]1 ZINC000152228393 1038595700 /nfs/dbraw/zinc/59/57/00/1038595700.db2.gz MQSOAVZXSKBRNN-KRWDZBQOSA-N 2 2 321.449 4.199 20 0 DIADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000152232474 1038596485 /nfs/dbraw/zinc/59/64/85/1038596485.db2.gz MHVJYNHUKFBVLU-QGZVFWFLSA-N 2 2 321.424 4.269 20 0 DIADLP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCc1c[nH+]c2n1CCC2 ZINC000657411121 1038652444 /nfs/dbraw/zinc/65/24/44/1038652444.db2.gz BWDAGKUWYVHUPX-INIZCTEOSA-N 2 2 324.472 4.129 20 0 DIADLP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1c[nH+]c2n1CCC2 ZINC000657411121 1038652447 /nfs/dbraw/zinc/65/24/47/1038652447.db2.gz BWDAGKUWYVHUPX-INIZCTEOSA-N 2 2 324.472 4.129 20 0 DIADLP COc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119847582 1038682416 /nfs/dbraw/zinc/68/24/16/1038682416.db2.gz MWEUFGCXWREOIJ-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119847465 1038682581 /nfs/dbraw/zinc/68/25/81/1038682581.db2.gz MWEUFGCXWREOIJ-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP c1cn(C2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)c[nH+]1 ZINC000277677858 1038694151 /nfs/dbraw/zinc/69/41/51/1038694151.db2.gz KHLJJZYYDVJMDF-UHFFFAOYSA-N 2 2 323.465 4.449 20 0 DIADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152756477 1038717455 /nfs/dbraw/zinc/71/74/55/1038717455.db2.gz BZNREMNKFFWBRI-HNNXBMFYSA-N 2 2 323.440 4.167 20 0 DIADLP Cc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C ZINC000608070693 1038764436 /nfs/dbraw/zinc/76/44/36/1038764436.db2.gz HHOUODQYWOYTTG-FQEVSTJZSA-N 2 2 319.452 4.111 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608565290 1038884005 /nfs/dbraw/zinc/88/40/05/1038884005.db2.gz MZPZQPNNGUZFMY-HZPDHXFCSA-N 2 2 306.881 4.209 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608565290 1038884027 /nfs/dbraw/zinc/88/40/27/1038884027.db2.gz MZPZQPNNGUZFMY-HZPDHXFCSA-N 2 2 306.881 4.209 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)o2)cc1 ZINC000608578861 1038888674 /nfs/dbraw/zinc/88/86/74/1038888674.db2.gz KMQBJMDUYOPLBE-UHFFFAOYSA-N 2 2 323.440 4.276 20 0 DIADLP CC(C)c1[nH+]ccn1Cc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000123568304 1039155193 /nfs/dbraw/zinc/15/51/93/1039155193.db2.gz UMPDIWNFLFDSHR-UHFFFAOYSA-N 2 2 322.456 4.423 20 0 DIADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000343143563 1039235234 /nfs/dbraw/zinc/23/52/34/1039235234.db2.gz QHUSLDAMORBZOE-UHFFFAOYSA-N 2 2 312.244 4.102 20 0 DIADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000343143563 1039235256 /nfs/dbraw/zinc/23/52/56/1039235256.db2.gz QHUSLDAMORBZOE-UHFFFAOYSA-N 2 2 312.244 4.102 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000539500067 1039273613 /nfs/dbraw/zinc/27/36/13/1039273613.db2.gz PKJBEVXLOUULEZ-LSDHHAIUSA-N 2 2 311.429 4.239 20 0 DIADLP Fc1ccc(C2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000539655777 1039310885 /nfs/dbraw/zinc/31/08/85/1039310885.db2.gz PZJFLIWEIWUUGF-UHFFFAOYSA-N 2 2 324.443 4.069 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000539818134 1039350244 /nfs/dbraw/zinc/35/02/44/1039350244.db2.gz RAKSMCHQYZVOPT-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000539818134 1039350255 /nfs/dbraw/zinc/35/02/55/1039350255.db2.gz RAKSMCHQYZVOPT-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818134 1039350276 /nfs/dbraw/zinc/35/02/76/1039350276.db2.gz RAKSMCHQYZVOPT-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Oc3ccccc3)c2)CC[NH+]1C ZINC000539818134 1039350287 /nfs/dbraw/zinc/35/02/87/1039350287.db2.gz RAKSMCHQYZVOPT-IEBWSBKVSA-N 2 2 324.468 4.393 20 0 DIADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000539856690 1039372620 /nfs/dbraw/zinc/37/26/20/1039372620.db2.gz UXOUGUHEWIURGN-PWIZWCRZSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900229 1039385183 /nfs/dbraw/zinc/38/51/83/1039385183.db2.gz OOTNQRYRKVKIQD-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000539900229 1039385196 /nfs/dbraw/zinc/38/51/96/1039385196.db2.gz OOTNQRYRKVKIQD-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000539900229 1039385213 /nfs/dbraw/zinc/38/52/13/1039385213.db2.gz OOTNQRYRKVKIQD-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000539900229 1039385227 /nfs/dbraw/zinc/38/52/27/1039385227.db2.gz OOTNQRYRKVKIQD-FPOVZHCZSA-N 2 2 324.468 4.075 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000540172185 1039437413 /nfs/dbraw/zinc/43/74/13/1039437413.db2.gz QWRFKSVTEAZUTL-SKDZVZGDSA-N 2 2 318.461 4.049 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC[N@H+]1C ZINC000540172185 1039437417 /nfs/dbraw/zinc/43/74/17/1039437417.db2.gz QWRFKSVTEAZUTL-SKDZVZGDSA-N 2 2 318.461 4.049 20 0 DIADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000540550928 1039515274 /nfs/dbraw/zinc/51/52/74/1039515274.db2.gz RYMYWDYKQSIUTD-IBGZPJMESA-N 2 2 317.452 4.002 20 0 DIADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000540550928 1039515290 /nfs/dbraw/zinc/51/52/90/1039515290.db2.gz RYMYWDYKQSIUTD-IBGZPJMESA-N 2 2 317.452 4.002 20 0 DIADLP CCOC1CCC([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000657818654 1039558122 /nfs/dbraw/zinc/55/81/22/1039558122.db2.gz SUXZFBZPMLSZTN-MHJFOBGBSA-N 2 2 318.505 4.007 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673115 1039628899 /nfs/dbraw/zinc/62/88/99/1039628899.db2.gz MERJSTKISBFWTR-FOIQADDNSA-N 2 2 303.409 4.210 20 0 DIADLP C[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000541202813 1039632201 /nfs/dbraw/zinc/63/22/01/1039632201.db2.gz MAUZHKLZRZOSEP-SFHVURJKSA-N 2 2 311.473 4.179 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000151709923 1039638888 /nfs/dbraw/zinc/63/88/88/1039638888.db2.gz ZFCWHDLUINEUIB-CABCVRRESA-N 2 2 309.388 4.423 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182855 1039660711 /nfs/dbraw/zinc/66/07/11/1039660711.db2.gz JYBAIYANYCURBN-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182855 1039660716 /nfs/dbraw/zinc/66/07/16/1039660716.db2.gz JYBAIYANYCURBN-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182855 1039660720 /nfs/dbraw/zinc/66/07/20/1039660720.db2.gz JYBAIYANYCURBN-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182855 1039660724 /nfs/dbraw/zinc/66/07/24/1039660724.db2.gz JYBAIYANYCURBN-WCQYABFASA-N 2 2 320.424 4.072 20 0 DIADLP Clc1ccc(SCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961301 1039693420 /nfs/dbraw/zinc/69/34/20/1039693420.db2.gz LEGMPPHJXIMMCK-CYBMUJFWSA-N 2 2 321.877 4.035 20 0 DIADLP Clc1ccc(SCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961301 1039693425 /nfs/dbraw/zinc/69/34/25/1039693425.db2.gz LEGMPPHJXIMMCK-CYBMUJFWSA-N 2 2 321.877 4.035 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961514 1039693927 /nfs/dbraw/zinc/69/39/27/1039693927.db2.gz HWTULFDPBKNAHX-HOCLYGCPSA-N 2 2 303.837 4.394 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961514 1039693934 /nfs/dbraw/zinc/69/39/34/1039693934.db2.gz HWTULFDPBKNAHX-HOCLYGCPSA-N 2 2 303.837 4.394 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000086279236 1039757043 /nfs/dbraw/zinc/75/70/43/1039757043.db2.gz WMJUSGOHZISBQH-GFCCVEGCSA-N 2 2 315.804 4.278 20 0 DIADLP C(=C\[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000542132162 1039799670 /nfs/dbraw/zinc/79/96/70/1039799670.db2.gz MSLROGXOHGUPRB-JJEJIETFSA-N 2 2 315.486 4.293 20 0 DIADLP C(=C\[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000542132162 1039799691 /nfs/dbraw/zinc/79/96/91/1039799691.db2.gz MSLROGXOHGUPRB-JJEJIETFSA-N 2 2 315.486 4.293 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1F ZINC000090963648 1039809651 /nfs/dbraw/zinc/80/96/51/1039809651.db2.gz GOFQHVXMVAYECM-AWEZNQCLSA-N 2 2 322.443 4.413 20 0 DIADLP C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151685534 1039857605 /nfs/dbraw/zinc/85/76/05/1039857605.db2.gz SLWUBXBROUAWAC-CVEARBPZSA-N 2 2 309.413 4.137 20 0 DIADLP CCOC1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000657880725 1039988495 /nfs/dbraw/zinc/98/84/95/1039988495.db2.gz KCZXMUACMWRDDG-IPJUCJBFSA-N 2 2 318.505 4.053 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C(C)(C)C(F)F)c1ccccc1 ZINC000657882900 1039994362 /nfs/dbraw/zinc/99/43/62/1039994362.db2.gz WBVGMVZEUUQPFE-ZIAGYGMSSA-N 2 2 312.448 4.385 20 0 DIADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC000235858474 1040713532 /nfs/dbraw/zinc/71/35/32/1040713532.db2.gz KLMOKGMGXMNKIF-MRXNPFEDSA-N 2 2 305.853 4.049 20 0 DIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000414128403 1040901546 /nfs/dbraw/zinc/90/15/46/1040901546.db2.gz UAOYNTLYIVHZBG-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134292576 1041138598 /nfs/dbraw/zinc/13/85/98/1041138598.db2.gz QTTQKBJOJZBNBE-HNNXBMFYSA-N 2 2 313.272 4.055 20 0 DIADLP CC(C)CCCC[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000893203270 1041554358 /nfs/dbraw/zinc/55/43/58/1041554358.db2.gz WPMOBICOLYNTNZ-QGZVFWFLSA-N 2 2 303.494 4.023 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)[nH]1 ZINC000660075646 1041600507 /nfs/dbraw/zinc/60/05/07/1041600507.db2.gz CHDVZWSVQDUHBR-QRQLOZEOSA-N 2 2 309.457 4.173 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)C3)C2)[nH]1 ZINC000660075646 1041600510 /nfs/dbraw/zinc/60/05/10/1041600510.db2.gz CHDVZWSVQDUHBR-QRQLOZEOSA-N 2 2 309.457 4.173 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000584760948 1041665282 /nfs/dbraw/zinc/66/52/82/1041665282.db2.gz VIFSSPZAHWEACW-LBPRGKRZSA-N 2 2 310.844 4.004 20 0 DIADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc2cc(F)ccc2c[nH+]1 ZINC001167750681 1041743231 /nfs/dbraw/zinc/74/32/31/1041743231.db2.gz BUYSEPZCTOIVSQ-AWEZNQCLSA-N 2 2 301.409 4.050 20 0 DIADLP C[C@H]1CCCC[N@H+]1CCCNc1cc2cc(F)ccc2c[nH+]1 ZINC001167750681 1041743239 /nfs/dbraw/zinc/74/32/39/1041743239.db2.gz BUYSEPZCTOIVSQ-AWEZNQCLSA-N 2 2 301.409 4.050 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2cc(F)ccc21 ZINC001167752416 1041745588 /nfs/dbraw/zinc/74/55/88/1041745588.db2.gz VJEQGSIEZPUWDB-CQSZACIVSA-N 2 2 301.409 4.050 20 0 DIADLP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2cc(F)ccc21 ZINC001167752416 1041745599 /nfs/dbraw/zinc/74/55/99/1041745599.db2.gz VJEQGSIEZPUWDB-CQSZACIVSA-N 2 2 301.409 4.050 20 0 DIADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H](c3ccccc3)[C@@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC001170729747 1041776606 /nfs/dbraw/zinc/77/66/06/1041776606.db2.gz GEMZDEHOEYMLOF-JRSUCEMESA-N 2 2 320.480 4.452 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680847 1041878765 /nfs/dbraw/zinc/87/87/65/1041878765.db2.gz TUYBAOOAVRYUKK-FFZOFVMBSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680847 1041878772 /nfs/dbraw/zinc/87/87/72/1041878772.db2.gz TUYBAOOAVRYUKK-FFZOFVMBSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651741555 1041900873 /nfs/dbraw/zinc/90/08/73/1041900873.db2.gz NUWGFUCXXIIOBK-FUHIMQAGSA-N 2 2 315.505 4.165 20 0 DIADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000323415522 1041921325 /nfs/dbraw/zinc/92/13/25/1041921325.db2.gz RDWGSBILJSIITF-SXLOBPIMSA-N 2 2 311.473 4.225 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-c2ccccc2)cn1 ZINC000651822761 1041924394 /nfs/dbraw/zinc/92/43/94/1041924394.db2.gz JOWDYXSRDXVFEY-MIJOPJBOSA-N 2 2 321.468 4.024 20 0 DIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-c2ccccc2)cn1 ZINC000651822761 1041924398 /nfs/dbraw/zinc/92/43/98/1041924398.db2.gz JOWDYXSRDXVFEY-MIJOPJBOSA-N 2 2 321.468 4.024 20 0 DIADLP Cc1ccccc1C1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000651862598 1041935624 /nfs/dbraw/zinc/93/56/24/1041935624.db2.gz ZAOQDZGFHOMEKR-UHFFFAOYSA-N 2 2 323.465 4.411 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000815567336 1041963820 /nfs/dbraw/zinc/96/38/20/1041963820.db2.gz UTSMFPMMQSCVER-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000925755538 1042089039 /nfs/dbraw/zinc/08/90/39/1042089039.db2.gz FPHSJFDKVQDSLV-AWEZNQCLSA-N 2 2 315.486 4.074 20 0 DIADLP c1cn(-c2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)c[nH+]1 ZINC000817406967 1042107426 /nfs/dbraw/zinc/10/74/26/1042107426.db2.gz AIDLZAVOESXWSE-UHFFFAOYSA-N 2 2 303.409 4.040 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1F ZINC000161523094 1042109892 /nfs/dbraw/zinc/10/98/92/1042109892.db2.gz UEGROCFUAJNWLR-INIZCTEOSA-N 2 2 310.844 4.147 20 0 DIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000817893716 1042128389 /nfs/dbraw/zinc/12/83/89/1042128389.db2.gz GWWLTCUOACMBRP-KFWWJZLASA-N 2 2 317.502 4.258 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877274 1042235813 /nfs/dbraw/zinc/23/58/13/1042235813.db2.gz RXCCEYTUAUWVAP-VQIMIIECSA-N 2 2 312.457 4.231 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccco1 ZINC000390877274 1042235818 /nfs/dbraw/zinc/23/58/18/1042235818.db2.gz RXCCEYTUAUWVAP-VQIMIIECSA-N 2 2 312.457 4.231 20 0 DIADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](C2CCCCC2)CC1 ZINC000663684203 1042281162 /nfs/dbraw/zinc/28/11/62/1042281162.db2.gz QHLYAURONVUZTG-UHFFFAOYSA-N 2 2 324.472 4.026 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000319216466 1042336322 /nfs/dbraw/zinc/33/63/22/1042336322.db2.gz MMGZPYLNAIHOTL-SJORKVTESA-N 2 2 303.425 4.178 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000236705084 1042370514 /nfs/dbraw/zinc/37/05/14/1042370514.db2.gz ANARQUSXVXUKQU-LGMDPLHJSA-N 2 2 303.409 4.065 20 0 DIADLP CSCCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614110066 1042411015 /nfs/dbraw/zinc/41/10/15/1042411015.db2.gz OIHMCQKFSKGUQN-GOSISDBHSA-N 2 2 320.546 4.162 20 0 DIADLP CSCCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614110066 1042411017 /nfs/dbraw/zinc/41/10/17/1042411017.db2.gz OIHMCQKFSKGUQN-GOSISDBHSA-N 2 2 320.546 4.162 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C)cc1 ZINC000152222078 1042434085 /nfs/dbraw/zinc/43/40/85/1042434085.db2.gz OBXSCVYPROOJTB-LJQANCHMSA-N 2 2 305.425 4.422 20 0 DIADLP Clc1cccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000280073816 1042563658 /nfs/dbraw/zinc/56/36/58/1042563658.db2.gz QQCXXUDRXFPXGQ-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000422847023 1042690927 /nfs/dbraw/zinc/69/09/27/1042690927.db2.gz QTZXVFQOQQZBDG-IKGGRYGDSA-N 2 2 314.429 4.097 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146417 1042698751 /nfs/dbraw/zinc/69/87/51/1042698751.db2.gz PECOVWJDXRUXDE-GUDVDZBRSA-N 2 2 314.379 4.077 20 0 DIADLP [NH3+][C@H](C[NH2+][C@H](c1cccs1)C1CCCC1)c1ccccc1 ZINC000423254268 1042703141 /nfs/dbraw/zinc/70/31/41/1042703141.db2.gz ZSNMUHOVRREUAG-AEFFLSMTSA-N 2 2 300.471 4.269 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000514230472 1042776009 /nfs/dbraw/zinc/77/60/09/1042776009.db2.gz YQNHWTMWUWTUFI-GJZGRUSLSA-N 2 2 319.399 4.348 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000319793973 1042780254 /nfs/dbraw/zinc/78/02/54/1042780254.db2.gz GQVWEQQRDOEMMS-SFHVURJKSA-N 2 2 313.489 4.385 20 0 DIADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514762747 1042790135 /nfs/dbraw/zinc/79/01/35/1042790135.db2.gz SASXAUGYFIKZPW-QKLQHJQFSA-N 2 2 311.473 4.236 20 0 DIADLP Clc1cccc([C@H]2CC[C@H]([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000515217194 1042813163 /nfs/dbraw/zinc/81/31/63/1042813163.db2.gz ZZBUSHCMAMZANE-WMZOPIPTSA-N 2 2 317.864 4.243 20 0 DIADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319806526 1042870022 /nfs/dbraw/zinc/87/00/22/1042870022.db2.gz IBXULNMTLGUVMB-QAPCUYQASA-N 2 2 315.461 4.047 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2cccs2)cc1 ZINC000519484404 1042950398 /nfs/dbraw/zinc/95/03/98/1042950398.db2.gz JHRFUHDIRYHMFV-CJNGLKHVSA-N 2 2 323.465 4.346 20 0 DIADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(Cl)c1 ZINC001167968593 1042956318 /nfs/dbraw/zinc/95/63/18/1042956318.db2.gz SKMAWZFYUUTVQP-AYHJJNSGSA-N 2 2 318.892 4.143 20 0 DIADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(Cl)c1 ZINC001167968593 1042956322 /nfs/dbraw/zinc/95/63/22/1042956322.db2.gz SKMAWZFYUUTVQP-AYHJJNSGSA-N 2 2 318.892 4.143 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000177388144 1043106293 /nfs/dbraw/zinc/10/62/93/1043106293.db2.gz CBDIKIAKTOCJRZ-HOTGVXAUSA-N 2 2 321.424 4.293 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000665228792 1043290227 /nfs/dbraw/zinc/29/02/27/1043290227.db2.gz HIWKYHNFJUHZLG-JKSUJKDBSA-N 2 2 307.224 4.228 20 0 DIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccccc2)c1 ZINC000427852566 1043309835 /nfs/dbraw/zinc/30/98/35/1043309835.db2.gz FYPIWXBFOXMARN-JXFKEZNVSA-N 2 2 317.436 4.216 20 0 DIADLP CCCc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427853835 1043310177 /nfs/dbraw/zinc/31/01/77/1043310177.db2.gz XZZALJXVQLGKHB-QUCCMNQESA-N 2 2 311.473 4.137 20 0 DIADLP CCCc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427853829 1043310581 /nfs/dbraw/zinc/31/05/81/1043310581.db2.gz XZZALJXVQLGKHB-AZUAARDMSA-N 2 2 311.473 4.137 20 0 DIADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427890943 1043313451 /nfs/dbraw/zinc/31/34/51/1043313451.db2.gz KJIPXDYPSHOZME-BEFAXECRSA-N 2 2 323.440 4.321 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1F ZINC000269010015 1043350994 /nfs/dbraw/zinc/35/09/94/1043350994.db2.gz NLMFBPLWJDZUSD-GOSISDBHSA-N 2 2 308.416 4.022 20 0 DIADLP CC[C@H](CCC(F)(F)F)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000872023734 1043424244 /nfs/dbraw/zinc/42/42/44/1043424244.db2.gz JYWYCWRCFNDGEA-CHWSQXEVSA-N 2 2 305.388 4.009 20 0 DIADLP FC(F)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000442793769 1043424098 /nfs/dbraw/zinc/42/40/98/1043424098.db2.gz OXCCBIJYKWXIHJ-ABHNRTSZSA-N 2 2 322.443 4.065 20 0 DIADLP FC(F)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000442793769 1043424102 /nfs/dbraw/zinc/42/41/02/1043424102.db2.gz OXCCBIJYKWXIHJ-ABHNRTSZSA-N 2 2 322.443 4.065 20 0 DIADLP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000872026346 1043424697 /nfs/dbraw/zinc/42/46/97/1043424697.db2.gz DDTYSUYOKODXOF-CQSZACIVSA-N 2 2 311.351 4.083 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000925590763 1043432849 /nfs/dbraw/zinc/43/28/49/1043432849.db2.gz KKWBBZHBXPAJSW-DNVCBOLYSA-N 2 2 315.505 4.021 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(-c2ccccc2)cs1 ZINC000349350897 1043505687 /nfs/dbraw/zinc/50/56/87/1043505687.db2.gz PNVJJJLODHOZIX-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(-c2ccccc2)cs1 ZINC000349350897 1043505701 /nfs/dbraw/zinc/50/57/01/1043505701.db2.gz PNVJJJLODHOZIX-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000873281234 1043531483 /nfs/dbraw/zinc/53/14/83/1043531483.db2.gz HJAURAMPKAEOQE-QWHCGFSZSA-N 2 2 312.360 4.001 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000717975601 1043533610 /nfs/dbraw/zinc/53/36/10/1043533610.db2.gz CUSOXFVCFYTKFX-RTBURBONSA-N 2 2 300.490 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000717975601 1043533624 /nfs/dbraw/zinc/53/36/24/1043533624.db2.gz CUSOXFVCFYTKFX-RTBURBONSA-N 2 2 300.490 4.065 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000717975598 1043534435 /nfs/dbraw/zinc/53/44/35/1043534435.db2.gz CUSOXFVCFYTKFX-RBUKOAKNSA-N 2 2 300.490 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000717975598 1043534439 /nfs/dbraw/zinc/53/44/39/1043534439.db2.gz CUSOXFVCFYTKFX-RBUKOAKNSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718016399 1043548041 /nfs/dbraw/zinc/54/80/41/1043548041.db2.gz GVHRJJYBMHDQKE-NSISKUIASA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718016399 1043548051 /nfs/dbraw/zinc/54/80/51/1043548051.db2.gz GVHRJJYBMHDQKE-NSISKUIASA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602134 1043606464 /nfs/dbraw/zinc/60/64/64/1043606464.db2.gz HXGWYZGVSOBSLA-UWJYYQICSA-N 2 2 323.484 4.075 20 0 DIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000777602134 1043606467 /nfs/dbraw/zinc/60/64/67/1043606467.db2.gz HXGWYZGVSOBSLA-UWJYYQICSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CCC(C)C)c1ccoc1)CCC2 ZINC000353510807 1043611099 /nfs/dbraw/zinc/61/10/99/1043611099.db2.gz ACFRMMYKCUAOCZ-AEFFLSMTSA-N 2 2 315.461 4.429 20 0 DIADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000353619335 1043625645 /nfs/dbraw/zinc/62/56/45/1043625645.db2.gz HBYCPRRLGDDCDX-CABCVRRESA-N 2 2 303.837 4.051 20 0 DIADLP CC(C)CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000558920841 1043637916 /nfs/dbraw/zinc/63/79/16/1043637916.db2.gz BSPFOCYPGIUEMZ-HXUWFJFHSA-N 2 2 311.473 4.236 20 0 DIADLP C[N@H+](Cc1cc2ccccc2o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354116140 1043684511 /nfs/dbraw/zinc/68/45/11/1043684511.db2.gz KEXLRLLTJGMLAW-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354116140 1043684514 /nfs/dbraw/zinc/68/45/14/1043684514.db2.gz KEXLRLLTJGMLAW-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2C)cn1 ZINC000126343291 1043745184 /nfs/dbraw/zinc/74/51/84/1043745184.db2.gz OJNWAQMDUDONGB-MRXNPFEDSA-N 2 2 320.440 4.043 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000356070502 1043808735 /nfs/dbraw/zinc/80/87/35/1043808735.db2.gz YIKVIFSHNVOUGP-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000356070502 1043808752 /nfs/dbraw/zinc/80/87/52/1043808752.db2.gz YIKVIFSHNVOUGP-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP CC(C)[C@@H](C[NH2+]CCCCNc1cccc[nH+]1)c1ccccc1 ZINC000474740615 1043906621 /nfs/dbraw/zinc/90/66/21/1043906621.db2.gz YWRDDAFQOPKNLT-LJQANCHMSA-N 2 2 311.473 4.303 20 0 DIADLP CC(C)Sc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000358032408 1044009050 /nfs/dbraw/zinc/00/90/50/1044009050.db2.gz JCPSYLSMKPOTSM-INIZCTEOSA-N 2 2 315.486 4.290 20 0 DIADLP CC(C)Sc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000358032408 1044009062 /nfs/dbraw/zinc/00/90/62/1044009062.db2.gz JCPSYLSMKPOTSM-INIZCTEOSA-N 2 2 315.486 4.290 20 0 DIADLP C[C@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358240717 1044039528 /nfs/dbraw/zinc/03/95/28/1044039528.db2.gz RQPBKCCPZXMYCK-KSSFIOAISA-N 2 2 321.449 4.370 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981104 1044040532 /nfs/dbraw/zinc/04/05/32/1044040532.db2.gz WKZGLWMCQXQYRW-FXAWDEMLSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981104 1044040544 /nfs/dbraw/zinc/04/05/44/1044040544.db2.gz WKZGLWMCQXQYRW-FXAWDEMLSA-N 2 2 316.489 4.168 20 0 DIADLP C[C@@H](CC[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000561986929 1044044541 /nfs/dbraw/zinc/04/45/41/1044044541.db2.gz DJCVLGDRTLCLJJ-SFHVURJKSA-N 2 2 319.452 4.215 20 0 DIADLP c1cn(C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)c2ccccc2)c[nH+]1 ZINC000880569604 1044047454 /nfs/dbraw/zinc/04/74/54/1044047454.db2.gz MILRFBRHFWAPQE-OAQYLSRUSA-N 2 2 317.436 4.292 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358310608 1044053470 /nfs/dbraw/zinc/05/34/70/1044053470.db2.gz YIAVZPISBYSGKO-UKRRQHHQSA-N 2 2 305.372 4.101 20 0 DIADLP C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358361007 1044059432 /nfs/dbraw/zinc/05/94/32/1044059432.db2.gz WDWPRYXZWXVNEP-ZDUSSCGKSA-N 2 2 305.372 4.101 20 0 DIADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC001649175938 1044112956 /nfs/dbraw/zinc/11/29/56/1044112956.db2.gz RXWFFJKKFWLZPW-LLVKDONJSA-N 2 2 321.317 4.265 20 0 DIADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC001649175938 1044112958 /nfs/dbraw/zinc/11/29/58/1044112958.db2.gz RXWFFJKKFWLZPW-LLVKDONJSA-N 2 2 321.317 4.265 20 0 DIADLP CC(C)CSCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000359845430 1044206648 /nfs/dbraw/zinc/20/66/48/1044206648.db2.gz VHRILAWWPSQGDV-MRXNPFEDSA-N 2 2 317.502 4.302 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000359912858 1044215766 /nfs/dbraw/zinc/21/57/66/1044215766.db2.gz RMEWHYVQBGPGIN-LLVKDONJSA-N 2 2 307.800 4.143 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC000883194642 1044232867 /nfs/dbraw/zinc/23/28/67/1044232867.db2.gz ZRTPSXDHMTXASZ-MSOLQXFVSA-N 2 2 309.457 4.016 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883258618 1044248732 /nfs/dbraw/zinc/24/87/32/1044248732.db2.gz ITAFEBLOZNMSBJ-CYBMUJFWSA-N 2 2 307.388 4.204 20 0 DIADLP Fc1ccc2c(NCc3cccc(-n4cc[nH+]c4)c3)cc[nH+]c2c1 ZINC000360345006 1044262677 /nfs/dbraw/zinc/26/26/77/1044262677.db2.gz UFBJQJCKFZERSJ-UHFFFAOYSA-N 2 2 318.355 4.172 20 0 DIADLP CC1(C)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000360508172 1044279640 /nfs/dbraw/zinc/27/96/40/1044279640.db2.gz NRIJXSLYPLEYBO-UHFFFAOYSA-N 2 2 301.409 4.070 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387140 1044299141 /nfs/dbraw/zinc/29/91/41/1044299141.db2.gz SCPKWCKPHPFVCI-VQTJNVASSA-N 2 2 321.399 4.041 20 0 DIADLP c1cn(C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883386566 1044299551 /nfs/dbraw/zinc/29/95/51/1044299551.db2.gz IKAAHFZTIPXYHE-NHCUHLMSSA-N 2 2 317.436 4.292 20 0 DIADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387294 1044299620 /nfs/dbraw/zinc/29/96/20/1044299620.db2.gz VFXKRETWJXNGMN-PMACEKPBSA-N 2 2 321.399 4.041 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387269 1044300029 /nfs/dbraw/zinc/30/00/29/1044300029.db2.gz UWCYSGQLKZXPSQ-XLIONFOSSA-N 2 2 305.425 4.284 20 0 DIADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387489 1044300627 /nfs/dbraw/zinc/30/06/27/1044300627.db2.gz YTKLJADAUJPRKP-SFTDATJTSA-N 2 2 317.436 4.210 20 0 DIADLP Cc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)o1 ZINC000883386673 1044301378 /nfs/dbraw/zinc/30/13/78/1044301378.db2.gz LCAGSODSGRAQTB-DNVCBOLYSA-N 2 2 309.413 4.185 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccsc1 ZINC000883387898 1044302428 /nfs/dbraw/zinc/30/24/28/1044302428.db2.gz HSUUFJWEZGUPKN-ROUUACIJSA-N 2 2 311.454 4.427 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccsc1 ZINC000883387897 1044302860 /nfs/dbraw/zinc/30/28/60/1044302860.db2.gz HSUUFJWEZGUPKN-QZTJIDSGSA-N 2 2 311.454 4.427 20 0 DIADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+]2CCCCC2)cc1 ZINC000883404177 1044306524 /nfs/dbraw/zinc/30/65/24/1044306524.db2.gz RLEVFKTYSJFZBS-UHFFFAOYSA-N 2 2 312.461 4.062 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361099080 1044360608 /nfs/dbraw/zinc/36/06/08/1044360608.db2.gz YKFRVTGVZNHVHA-QFBILLFUSA-N 2 2 317.436 4.253 20 0 DIADLP C[C@H]1CC([N@@H+]2CCc3occc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062672 1044386228 /nfs/dbraw/zinc/38/62/28/1044386228.db2.gz LHQDOJYOKOMCRC-IRXDYDNUSA-N 2 2 324.468 4.079 20 0 DIADLP C[C@H]1CC([N@H+]2CCc3occc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062672 1044386241 /nfs/dbraw/zinc/38/62/41/1044386241.db2.gz LHQDOJYOKOMCRC-IRXDYDNUSA-N 2 2 324.468 4.079 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000361484376 1044408086 /nfs/dbraw/zinc/40/80/86/1044408086.db2.gz IVBNLWMOSKTWRQ-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1)CCC2 ZINC000361657821 1044430171 /nfs/dbraw/zinc/43/01/71/1044430171.db2.gz DEOJDPQBWWAEBH-HZPDHXFCSA-N 2 2 315.436 4.176 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361861530 1044453386 /nfs/dbraw/zinc/45/33/86/1044453386.db2.gz CDIZAKJMFWPGJU-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1csc([C@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C2CC2)n1 ZINC000925147571 1044457020 /nfs/dbraw/zinc/45/70/20/1044457020.db2.gz IVCHCGQJVJQHOV-QGZVFWFLSA-N 2 2 321.534 4.003 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000119724215 1044497689 /nfs/dbraw/zinc/49/76/89/1044497689.db2.gz PVAJDQGQSYCXHY-OAHLLOKOSA-N 2 2 310.441 4.224 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000566778155 1044516346 /nfs/dbraw/zinc/51/63/46/1044516346.db2.gz VIFSSPZAHWEACW-GFCCVEGCSA-N 2 2 310.844 4.004 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1c(F)cccc1F ZINC000120941407 1044517022 /nfs/dbraw/zinc/51/70/22/1044517022.db2.gz MZCYWMBYMPMKQP-GFCCVEGCSA-N 2 2 322.374 4.016 20 0 DIADLP Cc1[nH]c(C2CCN(c3cc(C(C)(C)C)cc[nH+]3)CC2)[nH+]c1C ZINC000884706261 1044552169 /nfs/dbraw/zinc/55/21/69/1044552169.db2.gz XDAPFYHBAMYRLO-UHFFFAOYSA-N 2 2 312.461 4.103 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000295891867 1044573027 /nfs/dbraw/zinc/57/30/27/1044573027.db2.gz IDUFXVCZOAFNAD-GOSISDBHSA-N 2 2 311.454 4.234 20 0 DIADLP Fc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567733566 1044583511 /nfs/dbraw/zinc/58/35/11/1044583511.db2.gz JSRGTZXBOBCWHR-IBGZPJMESA-N 2 2 324.443 4.113 20 0 DIADLP Fc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567733566 1044583523 /nfs/dbraw/zinc/58/35/23/1044583523.db2.gz JSRGTZXBOBCWHR-IBGZPJMESA-N 2 2 324.443 4.113 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cs1 ZINC000296077970 1044589955 /nfs/dbraw/zinc/58/99/55/1044589955.db2.gz SKAVHUXEKGAADI-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP Cc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000567936214 1044592351 /nfs/dbraw/zinc/59/23/51/1044592351.db2.gz LXYFXQYEZPAVJN-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444799024 1044629542 /nfs/dbraw/zinc/62/95/42/1044629542.db2.gz RLLGDEVMQXGQKL-KRWDZBQOSA-N 2 2 303.837 4.072 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444799024 1044629549 /nfs/dbraw/zinc/62/95/49/1044629549.db2.gz RLLGDEVMQXGQKL-KRWDZBQOSA-N 2 2 303.837 4.072 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000568736719 1044645916 /nfs/dbraw/zinc/64/59/16/1044645916.db2.gz XWQWJXHGURAJRL-AWEZNQCLSA-N 2 2 323.440 4.146 20 0 DIADLP CCCCc1oc2ccccc2c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000568736722 1044645977 /nfs/dbraw/zinc/64/59/77/1044645977.db2.gz XWQWJXHGURAJRL-CQSZACIVSA-N 2 2 323.440 4.146 20 0 DIADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000568735728 1044646515 /nfs/dbraw/zinc/64/65/15/1044646515.db2.gz CEAKKJSMMWNTBX-MAUKXSAKSA-N 2 2 303.494 4.242 20 0 DIADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)[nH+]c1C ZINC000886667673 1044676950 /nfs/dbraw/zinc/67/69/50/1044676950.db2.gz FOGHZXHEMBHSFX-ZDUSSCGKSA-N 2 2 319.399 4.245 20 0 DIADLP CC(C)CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000571836531 1044826771 /nfs/dbraw/zinc/82/67/71/1044826771.db2.gz BJJSMHNUGKAYPH-SFHVURJKSA-N 2 2 317.521 4.491 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3ccccc3)o1)CCC2 ZINC000371069047 1044859992 /nfs/dbraw/zinc/85/99/92/1044859992.db2.gz KVLBJBWENFCMTQ-QGZVFWFLSA-N 2 2 321.424 4.119 20 0 DIADLP C[NH+]1CCC([N@H+](C/C=C/c2ccccc2)Cc2ccccc2)CC1 ZINC000574320497 1044947087 /nfs/dbraw/zinc/94/70/87/1044947087.db2.gz XEIPEFGQJSPNKZ-MDWZMJQESA-N 2 2 320.480 4.296 20 0 DIADLP C[NH+]1CCC([N@@H+](C/C=C/c2ccccc2)Cc2ccccc2)CC1 ZINC000574320497 1044947093 /nfs/dbraw/zinc/94/70/93/1044947093.db2.gz XEIPEFGQJSPNKZ-MDWZMJQESA-N 2 2 320.480 4.296 20 0 DIADLP CSc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000096965844 1044983946 /nfs/dbraw/zinc/98/39/46/1044983946.db2.gz MWCPDTJTCKCRTG-UHFFFAOYSA-N 2 2 323.465 4.226 20 0 DIADLP CSc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000096965844 1044983968 /nfs/dbraw/zinc/98/39/68/1044983968.db2.gz MWCPDTJTCKCRTG-UHFFFAOYSA-N 2 2 323.465 4.226 20 0 DIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373523162 1044984584 /nfs/dbraw/zinc/98/45/84/1044984584.db2.gz ORBGQVYIAOJITN-JEYLPNPQSA-N 2 2 322.880 4.016 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151681242 1045030766 /nfs/dbraw/zinc/03/07/66/1045030766.db2.gz KYNVPHZFRXLQNM-JKSUJKDBSA-N 2 2 321.424 4.293 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1Cl ZINC000447319340 1045120101 /nfs/dbraw/zinc/12/01/01/1045120101.db2.gz PCGYQSJPUXUCGN-WCQYABFASA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1Cl ZINC000447319340 1045120107 /nfs/dbraw/zinc/12/01/07/1045120107.db2.gz PCGYQSJPUXUCGN-WCQYABFASA-N 2 2 301.261 4.128 20 0 DIADLP c1cn(CCCC2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)c[nH+]1 ZINC000577425456 1045123513 /nfs/dbraw/zinc/12/35/13/1045123513.db2.gz ODWNFTDLRPCTAL-RTWAWAEBSA-N 2 2 323.484 4.179 20 0 DIADLP Cc1ccccc1-c1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000577564468 1045137627 /nfs/dbraw/zinc/13/76/27/1045137627.db2.gz HJQJESCYERDSKU-SFHVURJKSA-N 2 2 317.436 4.032 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000447560356 1045148962 /nfs/dbraw/zinc/14/89/62/1045148962.db2.gz VQPZZNMRXNXQAO-LZWOXQAQSA-N 2 2 314.395 4.061 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000447560356 1045148968 /nfs/dbraw/zinc/14/89/68/1045148968.db2.gz VQPZZNMRXNXQAO-LZWOXQAQSA-N 2 2 314.395 4.061 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000447560341 1045149626 /nfs/dbraw/zinc/14/96/26/1045149626.db2.gz VQPZZNMRXNXQAO-DZKIICNBSA-N 2 2 314.395 4.061 20 0 DIADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000447560341 1045149629 /nfs/dbraw/zinc/14/96/29/1045149629.db2.gz VQPZZNMRXNXQAO-DZKIICNBSA-N 2 2 314.395 4.061 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1csc(C(F)(F)F)c1 ZINC000924593395 1045181714 /nfs/dbraw/zinc/18/17/14/1045181714.db2.gz XSUPUHZPRLEAKO-JTQLQIEISA-N 2 2 318.408 4.044 20 0 DIADLP Cc1cccc2c1[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000924624083 1045183738 /nfs/dbraw/zinc/18/37/38/1045183738.db2.gz LCLHMIGDSCOGLN-FQEVSTJZSA-N 2 2 317.436 4.017 20 0 DIADLP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925167180 1045232479 /nfs/dbraw/zinc/23/24/79/1045232479.db2.gz AVPCBKYBXNJKAK-HIFRSBDPSA-N 2 2 309.413 4.166 20 0 DIADLP CC(C)C1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000578557130 1045253133 /nfs/dbraw/zinc/25/31/33/1045253133.db2.gz GMQYASISSLEYDP-UHFFFAOYSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1cccc(C)c1)C(C)C)CCC2 ZINC000527862229 1045269771 /nfs/dbraw/zinc/26/97/71/1045269771.db2.gz HXHRRBMRGYOZGS-OALUTQOASA-N 2 2 311.473 4.364 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000449060919 1045337960 /nfs/dbraw/zinc/33/79/60/1045337960.db2.gz FGFSUXUEOCBITQ-UHFFFAOYSA-N 2 2 305.425 4.038 20 0 DIADLP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449405601 1045390739 /nfs/dbraw/zinc/39/07/39/1045390739.db2.gz MLSITQVFJOSYTO-CABCVRRESA-N 2 2 320.443 4.209 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000120410042 1045472298 /nfs/dbraw/zinc/47/22/98/1045472298.db2.gz XZHHAEONZRZESL-MRXNPFEDSA-N 2 2 312.457 4.212 20 0 DIADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000530477190 1045673575 /nfs/dbraw/zinc/67/35/75/1045673575.db2.gz MKQPANUJVMQNQS-LRVUVFPRSA-N 2 2 310.844 4.147 20 0 DIADLP CC(C)[NH2+]Cc1ccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)cc1 ZINC000629731455 1045703119 /nfs/dbraw/zinc/70/31/19/1045703119.db2.gz KQEVSYHBXAYBDB-UHFFFAOYSA-N 2 2 323.415 4.236 20 0 DIADLP c1cn(Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC000629741868 1045706771 /nfs/dbraw/zinc/70/67/71/1045706771.db2.gz GBMZBDLUAJQJGX-HXUWFJFHSA-N 2 2 303.409 4.023 20 0 DIADLP C[C@@H]1C[C@@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C[NH2+]1 ZINC000629742102 1045707744 /nfs/dbraw/zinc/70/77/44/1045707744.db2.gz OGLPXILBBIVGKO-IIBYNOLFSA-N 2 2 317.436 4.064 20 0 DIADLP c1cn(Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC000629741867 1045707986 /nfs/dbraw/zinc/70/79/86/1045707986.db2.gz GBMZBDLUAJQJGX-FQEVSTJZSA-N 2 2 303.409 4.023 20 0 DIADLP C[C@@H]([NH2+]CCSC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000801938620 1045852986 /nfs/dbraw/zinc/85/29/86/1045852986.db2.gz JIWLFIWDZPENCI-CQSZACIVSA-N 2 2 303.475 4.055 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000453069550 1045915954 /nfs/dbraw/zinc/91/59/54/1045915954.db2.gz BXGHYVVEBIAIOW-SFHVURJKSA-N 2 2 311.454 4.234 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2sccc21 ZINC000453084167 1045928733 /nfs/dbraw/zinc/92/87/33/1045928733.db2.gz NTDPTSLFYVWBBV-CJNGLKHVSA-N 2 2 315.486 4.052 20 0 DIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC1 ZINC000453173258 1045965654 /nfs/dbraw/zinc/96/56/54/1045965654.db2.gz OCLVPYGFGXLXLX-OXJNMPFZSA-N 2 2 315.505 4.165 20 0 DIADLP Cc1cccc(C)c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001137854215 1045985909 /nfs/dbraw/zinc/98/59/09/1045985909.db2.gz NFTOCKCYHPCKHH-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1cccc(C)c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001137854215 1045985920 /nfs/dbraw/zinc/98/59/20/1045985920.db2.gz NFTOCKCYHPCKHH-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000902458540 1046001113 /nfs/dbraw/zinc/00/11/13/1046001113.db2.gz VXCWTOFAEIBNHR-AOIWGVFYSA-N 2 2 309.457 4.212 20 0 DIADLP Clc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)cc1 ZINC000453245388 1046001167 /nfs/dbraw/zinc/00/11/67/1046001167.db2.gz FUVZJHKYEMNOHW-MAUKXSAKSA-N 2 2 315.848 4.051 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)s1 ZINC000902730178 1046052060 /nfs/dbraw/zinc/05/20/60/1046052060.db2.gz AAVXAJBKDWDWOE-SNVBAGLBSA-N 2 2 318.408 4.044 20 0 DIADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c2ccccc12 ZINC001138018372 1046059460 /nfs/dbraw/zinc/05/94/60/1046059460.db2.gz VDPBSQDWULRUBN-UHFFFAOYSA-N 2 2 310.485 4.453 20 0 DIADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c2ccccc12 ZINC001138018372 1046059475 /nfs/dbraw/zinc/05/94/75/1046059475.db2.gz VDPBSQDWULRUBN-UHFFFAOYSA-N 2 2 310.485 4.453 20 0 DIADLP Cc1ccc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C2CCC2)o1 ZINC000756473597 1046086802 /nfs/dbraw/zinc/08/68/02/1046086802.db2.gz DCOKNPPUQTYIQK-HXUWFJFHSA-N 2 2 321.424 4.405 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902881969 1046100141 /nfs/dbraw/zinc/10/01/41/1046100141.db2.gz NPGJBTDCTCELSW-DZGCQCFKSA-N 2 2 305.372 4.101 20 0 DIADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1c(C)noc1C ZINC000902888080 1046102472 /nfs/dbraw/zinc/10/24/72/1046102472.db2.gz PXNSHLUQARHZKM-SCLBCKFNSA-N 2 2 324.428 4.279 20 0 DIADLP C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902911042 1046108994 /nfs/dbraw/zinc/10/89/94/1046108994.db2.gz QQYWUHYLCXFECJ-OAHLLOKOSA-N 2 2 321.399 4.351 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138314836 1046149049 /nfs/dbraw/zinc/14/90/49/1046149049.db2.gz PGSFCOZRKDUCPW-UHFFFAOYSA-N 2 2 324.472 4.184 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138314836 1046149054 /nfs/dbraw/zinc/14/90/54/1046149054.db2.gz PGSFCOZRKDUCPW-UHFFFAOYSA-N 2 2 324.472 4.184 20 0 DIADLP CCc1cccc2c(C[NH+]3CCC([NH+](CC)CC)CC3)c[nH]c21 ZINC001138360981 1046157908 /nfs/dbraw/zinc/15/79/08/1046157908.db2.gz GCPALJQDOSPYLT-UHFFFAOYSA-N 2 2 313.489 4.037 20 0 DIADLP CC[N@H+](Cc1sc2ccccc2c1C)C1CC[NH+](C)CC1 ZINC001138460760 1046190241 /nfs/dbraw/zinc/19/02/41/1046190241.db2.gz SGSDUKQTKLNTAC-UHFFFAOYSA-N 2 2 302.487 4.126 20 0 DIADLP CC[N@@H+](Cc1sc2ccccc2c1C)C1CC[NH+](C)CC1 ZINC001138460760 1046190246 /nfs/dbraw/zinc/19/02/46/1046190246.db2.gz SGSDUKQTKLNTAC-UHFFFAOYSA-N 2 2 302.487 4.126 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903283333 1046222047 /nfs/dbraw/zinc/22/20/47/1046222047.db2.gz QMZZRDXDKWGNAE-GDBMZVCRSA-N 2 2 315.486 4.197 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903283244 1046222856 /nfs/dbraw/zinc/22/28/56/1046222856.db2.gz ISEVEROFOPDZTD-ZBFHGGJFSA-N 2 2 315.486 4.197 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)c1cccnc1 ZINC000903379115 1046261866 /nfs/dbraw/zinc/26/18/66/1046261866.db2.gz FLOGBKQKWGNYNE-SFTDATJTSA-N 2 2 323.484 4.205 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc(F)ccc2Cl)C2CCCC2)CC1 ZINC001138675789 1046262491 /nfs/dbraw/zinc/26/24/91/1046262491.db2.gz LOBJLQPNFDWJGM-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc(F)ccc2Cl)C2CCCC2)CC1 ZINC001138675789 1046262505 /nfs/dbraw/zinc/26/25/05/1046262505.db2.gz LOBJLQPNFDWJGM-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccnc1 ZINC000903383721 1046263360 /nfs/dbraw/zinc/26/33/60/1046263360.db2.gz NYGVMZWAALPLHT-RTWAWAEBSA-N 2 2 323.484 4.132 20 0 DIADLP C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903428073 1046277188 /nfs/dbraw/zinc/27/71/88/1046277188.db2.gz CSEYUEPZSUHDGS-FOIQADDNSA-N 2 2 318.424 4.069 20 0 DIADLP C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903430033 1046280048 /nfs/dbraw/zinc/28/00/48/1046280048.db2.gz WYUDKCZOUQJOSB-YWZLYKJASA-N 2 2 318.424 4.069 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000122305985 1046294859 /nfs/dbraw/zinc/29/48/59/1046294859.db2.gz WSTISFRHRYCVIF-RWSFTLGLSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000122305985 1046294866 /nfs/dbraw/zinc/29/48/66/1046294866.db2.gz WSTISFRHRYCVIF-RWSFTLGLSA-N 2 2 301.261 4.114 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2occc2c1 ZINC001138825494 1046302291 /nfs/dbraw/zinc/30/22/91/1046302291.db2.gz QMAKQMRELIJLDK-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2occc2c1 ZINC001138825494 1046302310 /nfs/dbraw/zinc/30/23/10/1046302310.db2.gz QMAKQMRELIJLDK-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OC(C)C)CC1 ZINC001138958314 1046342264 /nfs/dbraw/zinc/34/22/64/1046342264.db2.gz BHHPBSSLSYEDKY-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OC(C)C)CC1 ZINC001138958314 1046342270 /nfs/dbraw/zinc/34/22/70/1046342270.db2.gz BHHPBSSLSYEDKY-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903948763 1046343702 /nfs/dbraw/zinc/34/37/02/1046343702.db2.gz UHTKFQUXGGBHFA-NRDMVMEKSA-N 2 2 324.443 4.095 20 0 DIADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639200620 1046369547 /nfs/dbraw/zinc/36/95/47/1046369547.db2.gz LJBCBNDIAXFWKB-IEBWSBKVSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639200620 1046369550 /nfs/dbraw/zinc/36/95/50/1046369550.db2.gz LJBCBNDIAXFWKB-IEBWSBKVSA-N 2 2 310.441 4.046 20 0 DIADLP C[N@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC001139051895 1046370893 /nfs/dbraw/zinc/37/08/93/1046370893.db2.gz DBAQDKNJRYISTK-UHFFFAOYSA-N 2 2 310.441 4.005 20 0 DIADLP C[N@@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH+](C)CC1 ZINC001139051895 1046370905 /nfs/dbraw/zinc/37/09/05/1046370905.db2.gz DBAQDKNJRYISTK-UHFFFAOYSA-N 2 2 310.441 4.005 20 0 DIADLP CCCC[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000780564433 1046393073 /nfs/dbraw/zinc/39/30/73/1046393073.db2.gz BJMYZVHCZMEKQF-UHFFFAOYSA-N 2 2 323.843 4.368 20 0 DIADLP CCCC[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000780564433 1046393086 /nfs/dbraw/zinc/39/30/86/1046393086.db2.gz BJMYZVHCZMEKQF-UHFFFAOYSA-N 2 2 323.843 4.368 20 0 DIADLP Cc1cc2ccccc2c(N[C@H]2CC[N@H+](CC3CCCC3)C2)[nH+]1 ZINC001161186288 1046425259 /nfs/dbraw/zinc/42/52/59/1046425259.db2.gz INUGBJULTHOBPI-SFHVURJKSA-N 2 2 309.457 4.220 20 0 DIADLP Cc1cc2ccccc2c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]1 ZINC001161186288 1046425264 /nfs/dbraw/zinc/42/52/64/1046425264.db2.gz INUGBJULTHOBPI-SFHVURJKSA-N 2 2 309.457 4.220 20 0 DIADLP CC1CCC([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001168223916 1046432688 /nfs/dbraw/zinc/43/26/88/1046432688.db2.gz HJGMUNTXKZJEOK-UHFFFAOYSA-N 2 2 318.480 4.301 20 0 DIADLP CC1CCC([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001168223916 1046432693 /nfs/dbraw/zinc/43/26/93/1046432693.db2.gz HJGMUNTXKZJEOK-UHFFFAOYSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@H](CC1CCCC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000676871521 1046440977 /nfs/dbraw/zinc/44/09/77/1046440977.db2.gz CPCAXOYGPNULAB-VQIMIIECSA-N 2 2 311.473 4.262 20 0 DIADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1C(C)C ZINC001139624419 1046491507 /nfs/dbraw/zinc/49/15/07/1046491507.db2.gz MBEKORHLGXZMQU-UHFFFAOYSA-N 2 2 318.505 4.123 20 0 DIADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1C(C)C ZINC001139624419 1046491513 /nfs/dbraw/zinc/49/15/13/1046491513.db2.gz MBEKORHLGXZMQU-UHFFFAOYSA-N 2 2 318.505 4.123 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@@H+]1C ZINC000677655326 1046510602 /nfs/dbraw/zinc/51/06/02/1046510602.db2.gz ZSOGMWMBLLFYBA-YVLXSGLVSA-N 2 2 313.272 4.053 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@H+]1C ZINC000677655326 1046510606 /nfs/dbraw/zinc/51/06/06/1046510606.db2.gz ZSOGMWMBLLFYBA-YVLXSGLVSA-N 2 2 313.272 4.053 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2C(F)F)CC1 ZINC001139802271 1046522571 /nfs/dbraw/zinc/52/25/71/1046522571.db2.gz MPEKPRUDPRQTGD-UHFFFAOYSA-N 2 2 308.416 4.075 20 0 DIADLP c1cn(Cc2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)c[nH+]1 ZINC000459357645 1046529029 /nfs/dbraw/zinc/52/90/29/1046529029.db2.gz ABIUZYMUQZEFMA-UHFFFAOYSA-N 2 2 317.436 4.099 20 0 DIADLP CC(C)[N@H+](Cc1ccc(F)c2ccccc12)C1CC[NH+](C)CC1 ZINC001139893586 1046548248 /nfs/dbraw/zinc/54/82/48/1046548248.db2.gz SSXUMIJWMSFTQX-UHFFFAOYSA-N 2 2 314.448 4.284 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(F)c2ccccc12)C1CC[NH+](C)CC1 ZINC001139893586 1046548256 /nfs/dbraw/zinc/54/82/56/1046548256.db2.gz SSXUMIJWMSFTQX-UHFFFAOYSA-N 2 2 314.448 4.284 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC001202986264 1046553979 /nfs/dbraw/zinc/55/39/79/1046553979.db2.gz OWAXHUXTNBYGKK-DQOYRYKGSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC001202986264 1046553993 /nfs/dbraw/zinc/55/39/93/1046553993.db2.gz OWAXHUXTNBYGKK-DQOYRYKGSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001140023227 1046570215 /nfs/dbraw/zinc/57/02/15/1046570215.db2.gz LAFLXFWJYMHRNN-AWEZNQCLSA-N 2 2 319.399 4.048 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001140023227 1046570224 /nfs/dbraw/zinc/57/02/24/1046570224.db2.gz LAFLXFWJYMHRNN-AWEZNQCLSA-N 2 2 319.399 4.048 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001140023230 1046570870 /nfs/dbraw/zinc/57/08/70/1046570870.db2.gz LAFLXFWJYMHRNN-CQSZACIVSA-N 2 2 319.399 4.048 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001140023230 1046570884 /nfs/dbraw/zinc/57/08/84/1046570884.db2.gz LAFLXFWJYMHRNN-CQSZACIVSA-N 2 2 319.399 4.048 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001140021943 1046572542 /nfs/dbraw/zinc/57/25/42/1046572542.db2.gz VAFHQJVMBYIANH-UHFFFAOYSA-N 2 2 319.399 4.048 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001140021943 1046572552 /nfs/dbraw/zinc/57/25/52/1046572552.db2.gz VAFHQJVMBYIANH-UHFFFAOYSA-N 2 2 319.399 4.048 20 0 DIADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000642339482 1046598880 /nfs/dbraw/zinc/59/88/80/1046598880.db2.gz LRTFXSXYKXNDFW-UHFFFAOYSA-N 2 2 320.864 4.420 20 0 DIADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000642339482 1046598895 /nfs/dbraw/zinc/59/88/95/1046598895.db2.gz LRTFXSXYKXNDFW-UHFFFAOYSA-N 2 2 320.864 4.420 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C)c1 ZINC000796718981 1046722170 /nfs/dbraw/zinc/72/21/70/1046722170.db2.gz YEIFDZOOESEZKS-HXUWFJFHSA-N 2 2 305.425 4.422 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001211994363 1046751859 /nfs/dbraw/zinc/75/18/59/1046751859.db2.gz WCHZIZRNJKCVEV-UHFFFAOYSA-N 2 2 320.440 4.458 20 0 DIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(Cl)o3)CC2)C1 ZINC000678997461 1046753467 /nfs/dbraw/zinc/75/34/67/1046753467.db2.gz JIOQJDCQASMKIF-ZFWWWQNUSA-N 2 2 310.869 4.066 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(Cl)o3)CC2)C1 ZINC000678997460 1046753882 /nfs/dbraw/zinc/75/38/82/1046753882.db2.gz JIOQJDCQASMKIF-UKRRQHHQSA-N 2 2 310.869 4.066 20 0 DIADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140568332 1046786754 /nfs/dbraw/zinc/78/67/54/1046786754.db2.gz BHJMYJBJLBVOKF-UHFFFAOYSA-N 2 2 322.802 4.132 20 0 DIADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140568332 1046786764 /nfs/dbraw/zinc/78/67/64/1046786764.db2.gz BHJMYJBJLBVOKF-UHFFFAOYSA-N 2 2 322.802 4.132 20 0 DIADLP CCc1c(C)[nH+]c2ccccc2c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679190174 1046791211 /nfs/dbraw/zinc/79/12/11/1046791211.db2.gz TULMHNMQFSCFRL-MRXNPFEDSA-N 2 2 320.440 4.144 20 0 DIADLP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137376720 1046846958 /nfs/dbraw/zinc/84/69/58/1046846958.db2.gz NZBFRMKYADWTGW-GOSISDBHSA-N 2 2 317.521 4.153 20 0 DIADLP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001137376720 1046846979 /nfs/dbraw/zinc/84/69/79/1046846979.db2.gz NZBFRMKYADWTGW-GOSISDBHSA-N 2 2 317.521 4.153 20 0 DIADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541439 1046862464 /nfs/dbraw/zinc/86/24/64/1046862464.db2.gz ZFMMMRAJFGEYAJ-HIFRSBDPSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541439 1046862484 /nfs/dbraw/zinc/86/24/84/1046862484.db2.gz ZFMMMRAJFGEYAJ-HIFRSBDPSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541440 1046863709 /nfs/dbraw/zinc/86/37/09/1046863709.db2.gz ZFMMMRAJFGEYAJ-UKRRQHHQSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541440 1046863727 /nfs/dbraw/zinc/86/37/27/1046863727.db2.gz ZFMMMRAJFGEYAJ-UKRRQHHQSA-N 2 2 323.362 4.035 20 0 DIADLP Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237412477 1046895303 /nfs/dbraw/zinc/89/53/03/1046895303.db2.gz PTXLBIYWFBDMEV-KRWDZBQOSA-N 2 2 305.425 4.074 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2coc3ccccc23)C2CCCC2)CC1 ZINC001140786559 1046898922 /nfs/dbraw/zinc/89/89/22/1046898922.db2.gz SDNSCONTTBBXLJ-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2coc3ccccc23)C2CCCC2)CC1 ZINC001140786559 1046898941 /nfs/dbraw/zinc/89/89/41/1046898941.db2.gz SDNSCONTTBBXLJ-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806127 1046908214 /nfs/dbraw/zinc/90/82/14/1046908214.db2.gz VZCRBTWWBGZJAM-LJQANCHMSA-N 2 2 321.424 4.046 20 0 DIADLP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806127 1046908221 /nfs/dbraw/zinc/90/82/21/1046908221.db2.gz VZCRBTWWBGZJAM-LJQANCHMSA-N 2 2 321.424 4.046 20 0 DIADLP Fc1ccc(F)c([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140805552 1046909538 /nfs/dbraw/zinc/90/95/38/1046909538.db2.gz IXIALAPKSSDPFV-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc(F)c([C@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140805552 1046909550 /nfs/dbraw/zinc/90/95/50/1046909550.db2.gz IXIALAPKSSDPFV-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cccc([C@@H]2CC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000680328262 1046963705 /nfs/dbraw/zinc/96/37/05/1046963705.db2.gz DPFGMCFBAMNBLK-KRWDZBQOSA-N 2 2 313.401 4.020 20 0 DIADLP Fc1cccc([C@@H]2CC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000680328262 1046963715 /nfs/dbraw/zinc/96/37/15/1046963715.db2.gz DPFGMCFBAMNBLK-KRWDZBQOSA-N 2 2 313.401 4.020 20 0 DIADLP CC(C)C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccncc1 ZINC000647284190 1046967028 /nfs/dbraw/zinc/96/70/28/1046967028.db2.gz HBXGTZMJUAXFFE-IBGZPJMESA-N 2 2 320.440 4.144 20 0 DIADLP Cc1cc(NC2CC[NH+](CC(C)(C)C)CC2)nc(C(C)(C)C)[nH+]1 ZINC001161208979 1046973713 /nfs/dbraw/zinc/97/37/13/1046973713.db2.gz SIGZSUNYVUXMHB-UHFFFAOYSA-N 2 2 318.509 4.005 20 0 DIADLP Cc1ccc(C[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1C ZINC001141243546 1047061068 /nfs/dbraw/zinc/06/10/68/1047061068.db2.gz MIVJKYHZRUSNFE-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1ccc(C[N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1C ZINC001141243546 1047061086 /nfs/dbraw/zinc/06/10/86/1047061086.db2.gz MIVJKYHZRUSNFE-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000379641196 1047095168 /nfs/dbraw/zinc/09/51/68/1047095168.db2.gz CVZDRXYUYSPNIM-RDJZCZTQSA-N 2 2 300.446 4.149 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000379641196 1047095178 /nfs/dbraw/zinc/09/51/78/1047095178.db2.gz CVZDRXYUYSPNIM-RDJZCZTQSA-N 2 2 300.446 4.149 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000121673155 1047100812 /nfs/dbraw/zinc/10/08/12/1047100812.db2.gz ZLFMVIAUHCZSHC-UHFFFAOYSA-N 2 2 302.487 4.208 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000536832611 1047113838 /nfs/dbraw/zinc/11/38/38/1047113838.db2.gz JUPAOFCFVGXGSU-IEBWSBKVSA-N 2 2 323.440 4.493 20 0 DIADLP CCC[C@H](C)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537205127 1047153114 /nfs/dbraw/zinc/15/31/14/1047153114.db2.gz VFIOQJLIGXPAKS-KRWDZBQOSA-N 2 2 303.494 4.056 20 0 DIADLP CCC[C@H](C)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537205127 1047153119 /nfs/dbraw/zinc/15/31/19/1047153119.db2.gz VFIOQJLIGXPAKS-KRWDZBQOSA-N 2 2 303.494 4.056 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325445796 1047189226 /nfs/dbraw/zinc/18/92/26/1047189226.db2.gz OIMGNMLMMDNALL-HOTGVXAUSA-N 2 2 321.424 4.293 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)(F)CC1 ZINC000682731716 1047216003 /nfs/dbraw/zinc/21/60/03/1047216003.db2.gz HJQLYDGYQASVSV-CQSZACIVSA-N 2 2 319.399 4.176 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCc2sccc2C1 ZINC000683008259 1047254743 /nfs/dbraw/zinc/25/47/43/1047254743.db2.gz SLKFGZWMAKPQEJ-UHFFFAOYSA-N 2 2 323.465 4.191 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCc2sccc2C1 ZINC000683008259 1047254765 /nfs/dbraw/zinc/25/47/65/1047254765.db2.gz SLKFGZWMAKPQEJ-UHFFFAOYSA-N 2 2 323.465 4.191 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000387362868 1047282188 /nfs/dbraw/zinc/28/21/88/1047282188.db2.gz QJELOQDNNYVSJK-WBVHZDCISA-N 2 2 315.486 4.125 20 0 DIADLP CCOc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000390321764 1047298263 /nfs/dbraw/zinc/29/82/63/1047298263.db2.gz YBFGBBXFIURLFD-MAUKXSAKSA-N 2 2 315.461 4.047 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000390780638 1047300810 /nfs/dbraw/zinc/30/08/10/1047300810.db2.gz QSKNZTYNANFVMH-YLJYHZDGSA-N 2 2 312.457 4.151 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000390780638 1047300823 /nfs/dbraw/zinc/30/08/23/1047300823.db2.gz QSKNZTYNANFVMH-YLJYHZDGSA-N 2 2 312.457 4.151 20 0 DIADLP CCC[C@@](C)([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000897926318 1047302660 /nfs/dbraw/zinc/30/26/60/1047302660.db2.gz URVDCCBGIHUHNI-GOSISDBHSA-N 2 2 317.502 4.010 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000652142635 1047343565 /nfs/dbraw/zinc/34/35/65/1047343565.db2.gz XUYMSESZBCAARW-GOSISDBHSA-N 2 2 303.425 4.179 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cncc3ccccc32)cc1 ZINC000841035547 1047373012 /nfs/dbraw/zinc/37/30/12/1047373012.db2.gz IBTNLVBQTMOXTM-OAQYLSRUSA-N 2 2 319.452 4.148 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000841745574 1047448310 /nfs/dbraw/zinc/44/83/10/1047448310.db2.gz QGWBUKYKPKPREW-LJIGWXMPSA-N 2 2 317.502 4.141 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1csc(Cl)c1 ZINC001142776017 1047492694 /nfs/dbraw/zinc/49/26/94/1047492694.db2.gz QURCTTCSGZWEBI-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1csc(Cl)c1 ZINC001142776017 1047492697 /nfs/dbraw/zinc/49/26/97/1047492697.db2.gz QURCTTCSGZWEBI-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1csc(Cl)c1 ZINC001142776017 1047492700 /nfs/dbraw/zinc/49/27/00/1047492700.db2.gz QURCTTCSGZWEBI-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1csc(Cl)c1 ZINC001142776017 1047492702 /nfs/dbraw/zinc/49/27/02/1047492702.db2.gz QURCTTCSGZWEBI-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318620 1047544797 /nfs/dbraw/zinc/54/47/97/1047544797.db2.gz ROTJIRDBPUOUIS-APWZRJJASA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC000093318620 1047544800 /nfs/dbraw/zinc/54/48/00/1047544800.db2.gz ROTJIRDBPUOUIS-APWZRJJASA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318620 1047544804 /nfs/dbraw/zinc/54/48/04/1047544804.db2.gz ROTJIRDBPUOUIS-APWZRJJASA-N 2 2 314.498 4.233 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1Cc1ccccc1 ZINC000093318620 1047544809 /nfs/dbraw/zinc/54/48/09/1047544809.db2.gz ROTJIRDBPUOUIS-APWZRJJASA-N 2 2 314.498 4.233 20 0 DIADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000537652550 1047566416 /nfs/dbraw/zinc/56/64/16/1047566416.db2.gz RUOHZNROJQTKME-PWIZWCRZSA-N 2 2 311.473 4.236 20 0 DIADLP C[N@@H+]1CCC[C@@H](CCNc2[nH+]ccc3cc(Cl)ccc32)C1 ZINC001156380187 1047709009 /nfs/dbraw/zinc/70/90/09/1047709009.db2.gz YJWZJXKERIWEDA-ZDUSSCGKSA-N 2 2 303.837 4.032 20 0 DIADLP C[N@H+]1CCC[C@@H](CCNc2[nH+]ccc3cc(Cl)ccc32)C1 ZINC001156380187 1047709014 /nfs/dbraw/zinc/70/90/14/1047709014.db2.gz YJWZJXKERIWEDA-ZDUSSCGKSA-N 2 2 303.837 4.032 20 0 DIADLP Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(C(C)C)[nH+]1 ZINC001156522724 1047715517 /nfs/dbraw/zinc/71/55/17/1047715517.db2.gz FZAJHUWXQKFERZ-LJQANCHMSA-N 2 2 324.472 4.157 20 0 DIADLP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001156531283 1047716396 /nfs/dbraw/zinc/71/63/96/1047716396.db2.gz VYOWIXCIRCOCJE-SFHVURJKSA-N 2 2 324.472 4.157 20 0 DIADLP Cc1ccc2cc[nH+]c(N(C3CCCC3)C3CC[NH+](C)CC3)c2c1 ZINC001158488313 1047786436 /nfs/dbraw/zinc/78/64/36/1047786436.db2.gz SIFWJNFGGCJYHD-UHFFFAOYSA-N 2 2 323.484 4.386 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c([nH+]1)CCCC2 ZINC001158729672 1047795937 /nfs/dbraw/zinc/79/59/37/1047795937.db2.gz JOKFIQHQLANANH-KRWDZBQOSA-N 2 2 307.441 4.201 20 0 DIADLP Clc1cc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)cn2cc[nH+]c12 ZINC001159265643 1047824461 /nfs/dbraw/zinc/82/44/61/1047824461.db2.gz CSEVSPDDBCVBNL-INIZCTEOSA-N 2 2 312.804 4.156 20 0 DIADLP CC(C)(C)c1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1 ZINC001159262144 1047824861 /nfs/dbraw/zinc/82/48/61/1047824861.db2.gz RFFQOBZTFLGEMG-UHFFFAOYSA-N 2 2 324.472 4.050 20 0 DIADLP Cc1ccc2c(Nc3cc([C@@H]4CCCC[NH2+]4)no3)cccc2[nH+]1 ZINC001159313191 1047831401 /nfs/dbraw/zinc/83/14/01/1047831401.db2.gz JFVMUPQIRADGBJ-INIZCTEOSA-N 2 2 308.385 4.089 20 0 DIADLP Cc1c[nH+]cc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)c1C ZINC001159392128 1047840133 /nfs/dbraw/zinc/84/01/33/1047840133.db2.gz WLCCPQLDJWSUHN-MAZHCROVSA-N 2 2 310.445 4.068 20 0 DIADLP FC(F)(F)Oc1cc[nH+]c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001159415905 1047841662 /nfs/dbraw/zinc/84/16/62/1047841662.db2.gz DQIARWPGBRTJKI-CQSZACIVSA-N 2 2 323.318 4.148 20 0 DIADLP c1cn(-c2ccccc2Nc2ccc(C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159446695 1047846912 /nfs/dbraw/zinc/84/69/12/1047846912.db2.gz DIQOBOVKQDHGEA-UHFFFAOYSA-N 2 2 318.424 4.083 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918984 1047855095 /nfs/dbraw/zinc/85/50/95/1047855095.db2.gz UMQYGKGTQXQPSQ-DNVCBOLYSA-N 2 2 320.908 4.268 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182918984 1047855108 /nfs/dbraw/zinc/85/51/08/1047855108.db2.gz UMQYGKGTQXQPSQ-DNVCBOLYSA-N 2 2 320.908 4.268 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc4c(c3)C[NH2+]CC4)ccc21 ZINC001159610018 1047882602 /nfs/dbraw/zinc/88/26/02/1047882602.db2.gz XEJITPPDVFBNSJ-UHFFFAOYSA-N 2 2 306.413 4.007 20 0 DIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066349 1047890462 /nfs/dbraw/zinc/89/04/62/1047890462.db2.gz YCEAHDVYUUMFIB-CXAGYDPISA-N 2 2 312.860 4.031 20 0 DIADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066349 1047890480 /nfs/dbraw/zinc/89/04/80/1047890480.db2.gz YCEAHDVYUUMFIB-CXAGYDPISA-N 2 2 312.860 4.031 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC001183238753 1047905912 /nfs/dbraw/zinc/90/59/12/1047905912.db2.gz OEXCRGXDLAVZKN-QKNQBKEWSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC001183238753 1047905923 /nfs/dbraw/zinc/90/59/23/1047905923.db2.gz OEXCRGXDLAVZKN-QKNQBKEWSA-N 2 2 312.501 4.004 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205263707 1047912928 /nfs/dbraw/zinc/91/29/28/1047912928.db2.gz BUTYLSOPNZTBDR-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205263707 1047912943 /nfs/dbraw/zinc/91/29/43/1047912943.db2.gz BUTYLSOPNZTBDR-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205263706 1047913413 /nfs/dbraw/zinc/91/34/13/1047913413.db2.gz BUTYLSOPNZTBDR-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205263706 1047913420 /nfs/dbraw/zinc/91/34/20/1047913420.db2.gz BUTYLSOPNZTBDR-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP c1cc([C@@H]2CC[NH2+]C2)ccc1Nc1ccc([NH+]2CCCC2)cc1 ZINC001159774917 1047920564 /nfs/dbraw/zinc/92/05/64/1047920564.db2.gz AEBMAVQQVGQICF-QGZVFWFLSA-N 2 2 307.441 4.107 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc([C@H]4CC[NH2+]C4)cc3)ccc21 ZINC001159776073 1047921716 /nfs/dbraw/zinc/92/17/16/1047921716.db2.gz QRUFDOLVCMMFGT-INIZCTEOSA-N 2 2 320.440 4.438 20 0 DIADLP c1cc([C@H]2CC[NH2+]C2)ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001159775895 1047922023 /nfs/dbraw/zinc/92/20/23/1047922023.db2.gz OLQISJKRXFLJQG-SFHVURJKSA-N 2 2 321.468 4.497 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000479544948 1047923376 /nfs/dbraw/zinc/92/33/76/1047923376.db2.gz SPFBTKNKQGAVSV-YLJYHZDGSA-N 2 2 309.457 4.013 20 0 DIADLP C[C@@H]([NH2+]CCCc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000479542644 1047924585 /nfs/dbraw/zinc/92/45/85/1047924585.db2.gz JODGGBLHXYWAQC-MRXNPFEDSA-N 2 2 323.415 4.295 20 0 DIADLP CCCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000479558821 1047930678 /nfs/dbraw/zinc/93/06/78/1047930678.db2.gz YLVDLUBDYIQXSD-UHFFFAOYSA-N 2 2 323.415 4.254 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000479578834 1047935173 /nfs/dbraw/zinc/93/51/73/1047935173.db2.gz MEBYGAUQZLRNOJ-PXNSSMCTSA-N 2 2 309.457 4.013 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000479578831 1047935246 /nfs/dbraw/zinc/93/52/46/1047935246.db2.gz MEBYGAUQZLRNOJ-FXAWDEMLSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1Cl ZINC001205281048 1047962597 /nfs/dbraw/zinc/96/25/97/1047962597.db2.gz OSGPNXVGSRSUMJ-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1Cl ZINC001205281048 1047962605 /nfs/dbraw/zinc/96/26/05/1047962605.db2.gz OSGPNXVGSRSUMJ-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183863999 1047977509 /nfs/dbraw/zinc/97/75/09/1047977509.db2.gz IJRJXZOJRAGKGC-DLBZAZTESA-N 2 2 301.478 4.174 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CC[C@H]2C2CC2)c(C)c1 ZINC000554082861 1048004349 /nfs/dbraw/zinc/00/43/49/1048004349.db2.gz BMMDYJIFMQQCBY-UFYCRDLUSA-N 2 2 309.457 4.019 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184253531 1048017707 /nfs/dbraw/zinc/01/77/07/1048017707.db2.gz WZKDZHYDZKBXDS-IBGZPJMESA-N 2 2 302.506 4.109 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184253531 1048017717 /nfs/dbraw/zinc/01/77/17/1048017717.db2.gz WZKDZHYDZKBXDS-IBGZPJMESA-N 2 2 302.506 4.109 20 0 DIADLP Cc1cc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)ccc1[NH+](C)C ZINC001160266935 1048018560 /nfs/dbraw/zinc/01/85/60/1048018560.db2.gz VZTUUYGQFMQDOP-SFHVURJKSA-N 2 2 323.484 4.347 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001184253718 1048018732 /nfs/dbraw/zinc/01/87/32/1048018732.db2.gz XRRAHDAHDCZOCP-UHFFFAOYSA-N 2 2 314.517 4.208 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001184253718 1048018737 /nfs/dbraw/zinc/01/87/37/1048018737.db2.gz XRRAHDAHDCZOCP-UHFFFAOYSA-N 2 2 314.517 4.208 20 0 DIADLP CC1(C)C[NH2+]Cc2cc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)ccc21 ZINC001160285415 1048023669 /nfs/dbraw/zinc/02/36/69/1048023669.db2.gz SUJDTODXAJPGDP-UHFFFAOYSA-N 2 2 318.424 4.201 20 0 DIADLP C[C@H](CC1CCCCC1)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184364004 1048027911 /nfs/dbraw/zinc/02/79/11/1048027911.db2.gz JRSAPGUYUJJNBA-MRXNPFEDSA-N 2 2 303.494 4.206 20 0 DIADLP CC1CC[NH+](CC[NH2+]C2CCC(C3CCCCC3)CC2)CC1 ZINC001199266072 1048050289 /nfs/dbraw/zinc/05/02/89/1048050289.db2.gz FZEMTODICJBKNX-UHFFFAOYSA-N 2 2 306.538 4.447 20 0 DIADLP FC(F)(F)c1ccccc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000775961327 1048064641 /nfs/dbraw/zinc/06/46/41/1048064641.db2.gz FFZPDMCRMGSISC-INIZCTEOSA-N 2 2 323.362 4.129 20 0 DIADLP FC(F)(F)c1ccccc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000775961327 1048064655 /nfs/dbraw/zinc/06/46/55/1048064655.db2.gz FFZPDMCRMGSISC-INIZCTEOSA-N 2 2 323.362 4.129 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000480163705 1048074663 /nfs/dbraw/zinc/07/46/63/1048074663.db2.gz KACGAJCMKLMSBJ-MRXNPFEDSA-N 2 2 312.457 4.472 20 0 DIADLP CCCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC001199609464 1048080245 /nfs/dbraw/zinc/08/02/45/1048080245.db2.gz SEXAXTANZQXGGL-INIZCTEOSA-N 2 2 305.491 4.102 20 0 DIADLP c1cn(CCCC[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC001199648789 1048082793 /nfs/dbraw/zinc/08/27/93/1048082793.db2.gz NVNDNMVXSWUKPB-PMACEKPBSA-N 2 2 311.473 4.369 20 0 DIADLP Cc1cc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)nc(C(C)C)[nH+]1 ZINC001160845020 1048090279 /nfs/dbraw/zinc/09/02/79/1048090279.db2.gz IIBLEWUVJWIXLT-UHFFFAOYSA-N 2 2 322.456 4.089 20 0 DIADLP CC(C)([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1Cl ZINC001168362669 1048099064 /nfs/dbraw/zinc/09/90/64/1048099064.db2.gz AXCMYDFHQYLASX-UHFFFAOYSA-N 2 2 306.881 4.039 20 0 DIADLP CCC(CC)[NH+]1CCC(Nc2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC001161100626 1048110719 /nfs/dbraw/zinc/11/07/19/1048110719.db2.gz KNDJRTCQGDEFPM-UHFFFAOYSA-N 2 2 318.509 4.147 20 0 DIADLP CCSc1cc[nH+]c(NC2CC[NH+](C(CC)CC)CC2)c1 ZINC001161100625 1048111463 /nfs/dbraw/zinc/11/14/63/1048111463.db2.gz KLGGPEKZLXQHPO-UHFFFAOYSA-N 2 2 307.507 4.259 20 0 DIADLP C/C=C\C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055854 1048114368 /nfs/dbraw/zinc/11/43/68/1048114368.db2.gz WZYNSKAUXNBIPN-JXCVUKRWSA-N 2 2 309.457 4.359 20 0 DIADLP C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055854 1048114370 /nfs/dbraw/zinc/11/43/70/1048114370.db2.gz WZYNSKAUXNBIPN-JXCVUKRWSA-N 2 2 309.457 4.359 20 0 DIADLP Cc1cc(NC2CC[NH+](CC(C)(C)C)CC2)[nH+]c2ccccc12 ZINC001161207753 1048115350 /nfs/dbraw/zinc/11/53/50/1048115350.db2.gz XMBVINIJRBSEKY-UHFFFAOYSA-N 2 2 311.473 4.466 20 0 DIADLP Clc1sccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000480309176 1048119681 /nfs/dbraw/zinc/11/96/81/1048119681.db2.gz JPFURYHXEHEEPS-UHFFFAOYSA-N 2 2 312.910 4.146 20 0 DIADLP Cc1nc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(C(C)C)[nH+]1 ZINC001161675157 1048153259 /nfs/dbraw/zinc/15/32/59/1048153259.db2.gz OTFHJAPOICMWQU-WKILWMFISA-N 2 2 318.509 4.031 20 0 DIADLP CCC[C@@H](C)[C@H](CC)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000480521700 1048158658 /nfs/dbraw/zinc/15/86/58/1048158658.db2.gz BQXJJHCZNRMNQH-MJGOQNOKSA-N 2 2 313.489 4.278 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H](c2ccccc2)C1 ZINC001200900854 1048162208 /nfs/dbraw/zinc/16/22/08/1048162208.db2.gz CCFSPGMTGWKFPQ-YSIASYRMSA-N 2 2 323.484 4.446 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628429 1048195518 /nfs/dbraw/zinc/19/55/18/1048195518.db2.gz XWQZVYDKZLWDNS-UVBJJODRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1 ZINC000480628429 1048195521 /nfs/dbraw/zinc/19/55/21/1048195521.db2.gz XWQZVYDKZLWDNS-UVBJJODRSA-N 2 2 313.272 4.271 20 0 DIADLP CC(C)c1ccc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]c1 ZINC001162187662 1048238527 /nfs/dbraw/zinc/23/85/27/1048238527.db2.gz XVUSZUSINHNGJY-WGSAOQKQSA-N 2 2 315.505 4.472 20 0 DIADLP c1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1C[NH+]1CCCC1 ZINC001175350927 1048272724 /nfs/dbraw/zinc/27/27/24/1048272724.db2.gz FMZSUWKJTXMGES-UHFFFAOYSA-N 2 2 322.456 4.021 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481048847 1048297407 /nfs/dbraw/zinc/29/74/07/1048297407.db2.gz VHIMQTCAHZJLMF-JKSUJKDBSA-N 2 2 323.415 4.293 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000555336776 1048327901 /nfs/dbraw/zinc/32/79/01/1048327901.db2.gz GDEUQQCIXYLXLF-UHFFFAOYSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000555336776 1048327918 /nfs/dbraw/zinc/32/79/18/1048327918.db2.gz GDEUQQCIXYLXLF-UHFFFAOYSA-N 2 2 317.521 4.072 20 0 DIADLP c1ccc(C[N@H+]2CC=C(Nc3cccc4cc[nH+]cc43)CC2)cc1 ZINC001175505502 1048341291 /nfs/dbraw/zinc/34/12/91/1048341291.db2.gz FPKBJWYCKNRBIO-UHFFFAOYSA-N 2 2 315.420 4.437 20 0 DIADLP c1ccc(C[N@@H+]2CC=C(Nc3cccc4cc[nH+]cc43)CC2)cc1 ZINC001175505502 1048341307 /nfs/dbraw/zinc/34/13/07/1048341307.db2.gz FPKBJWYCKNRBIO-UHFFFAOYSA-N 2 2 315.420 4.437 20 0 DIADLP Clc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668508 1048412427 /nfs/dbraw/zinc/41/24/27/1048412427.db2.gz ATGPIZJRGMXGPX-GOSISDBHSA-N 2 2 311.816 4.068 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC001163359869 1048460777 /nfs/dbraw/zinc/46/07/77/1048460777.db2.gz ADXYDRBCXOGLRR-SUMWQHHRSA-N 2 2 317.864 4.419 20 0 DIADLP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC001163359869 1048460782 /nfs/dbraw/zinc/46/07/82/1048460782.db2.gz ADXYDRBCXOGLRR-SUMWQHHRSA-N 2 2 317.864 4.419 20 0 DIADLP CC(C)[NH+](CCSCc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001189079045 1048592561 /nfs/dbraw/zinc/59/25/61/1048592561.db2.gz SUGYCJIKDOBLHR-UHFFFAOYSA-N 2 2 317.502 4.224 20 0 DIADLP C[NH+](C)CCOc1ccc(Nc2cccc(C3CCC3)[nH+]2)cc1 ZINC001176229362 1048610680 /nfs/dbraw/zinc/61/06/80/1048610680.db2.gz DQJJMKVZIMBDBM-UHFFFAOYSA-N 2 2 311.429 4.033 20 0 DIADLP Clc1ccc2c(cc[nH+]c2N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165246806 1048670062 /nfs/dbraw/zinc/67/00/62/1048670062.db2.gz PIQBSBYBFBCZPG-UHFFFAOYSA-N 2 2 315.848 4.001 20 0 DIADLP Cc1cccc2c(C)cc(N3CCCC[C@H]3C3CC[NH2+]CC3)[nH+]c12 ZINC001165318504 1048679635 /nfs/dbraw/zinc/67/96/35/1048679635.db2.gz CHECTQSTGJGCGV-IBGZPJMESA-N 2 2 323.484 4.210 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000483130341 1048741745 /nfs/dbraw/zinc/74/17/45/1048741745.db2.gz NSYXYPRPVZZASP-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc2ccccc2o1 ZINC000483127552 1048742837 /nfs/dbraw/zinc/74/28/37/1048742837.db2.gz NGNJYFFLBWXZPG-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc3c(c1)CCCC3)CCC2 ZINC000483431300 1048789963 /nfs/dbraw/zinc/78/99/63/1048789963.db2.gz AWEAQQDBLMYEPB-OXJNMPFZSA-N 2 2 323.484 4.299 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)CCC2 ZINC000483451043 1048796503 /nfs/dbraw/zinc/79/65/03/1048796503.db2.gz NQTJCKAAJLILLW-YESZJQIVSA-N 2 2 303.494 4.263 20 0 DIADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](CC)CC)C1 ZINC001177222415 1048850393 /nfs/dbraw/zinc/85/03/93/1048850393.db2.gz JQGFKCGDNVOVIR-GIVPXCGWSA-N 2 2 316.533 4.498 20 0 DIADLP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000557556124 1048887498 /nfs/dbraw/zinc/88/74/98/1048887498.db2.gz TYEDIYYNAZTPCG-CYBMUJFWSA-N 2 2 303.837 4.030 20 0 DIADLP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000557556124 1048887513 /nfs/dbraw/zinc/88/75/13/1048887513.db2.gz TYEDIYYNAZTPCG-CYBMUJFWSA-N 2 2 303.837 4.030 20 0 DIADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001203510869 1048914144 /nfs/dbraw/zinc/91/41/44/1048914144.db2.gz CFOKYKNVWRMIIQ-MRXNPFEDSA-N 2 2 324.896 4.090 20 0 DIADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001203510869 1048914156 /nfs/dbraw/zinc/91/41/56/1048914156.db2.gz CFOKYKNVWRMIIQ-MRXNPFEDSA-N 2 2 324.896 4.090 20 0 DIADLP COc1ccc2c(Nc3c(C)[nH+]c4ccc(F)cn43)cc[nH+]c2c1 ZINC001203525175 1048918856 /nfs/dbraw/zinc/91/88/56/1048918856.db2.gz VNFLZIGZTNHKGK-UHFFFAOYSA-N 2 2 322.343 4.082 20 0 DIADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001203739124 1048943528 /nfs/dbraw/zinc/94/35/28/1048943528.db2.gz GNSVDKASYYPELE-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001203739124 1048943543 /nfs/dbraw/zinc/94/35/43/1048943543.db2.gz GNSVDKASYYPELE-UHFFFAOYSA-N 2 2 305.425 4.121 20 0 DIADLP C([NH2+]C1CCC2(CC2)CC1)C1([NH+]2CCSCC2)CCCCC1 ZINC001177845055 1048953994 /nfs/dbraw/zinc/95/39/94/1048953994.db2.gz ZUOBHIARSYHVBO-UHFFFAOYSA-N 2 2 322.562 4.051 20 0 DIADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177950099 1048968369 /nfs/dbraw/zinc/96/83/69/1048968369.db2.gz UXLIYUOXUPXKJW-BBRMVZONSA-N 2 2 303.475 4.238 20 0 DIADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177950107 1048968419 /nfs/dbraw/zinc/96/84/19/1048968419.db2.gz UXLIYUOXUPXKJW-CZUORRHYSA-N 2 2 303.475 4.238 20 0 DIADLP CCCCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC001191772273 1048990271 /nfs/dbraw/zinc/99/02/71/1048990271.db2.gz CEGDPNXTZLXLPP-UHFFFAOYSA-N 2 2 319.880 4.308 20 0 DIADLP CCCCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC001191772273 1048990281 /nfs/dbraw/zinc/99/02/81/1048990281.db2.gz CEGDPNXTZLXLPP-UHFFFAOYSA-N 2 2 319.880 4.308 20 0 DIADLP c1c[nH+]c(Nc2ccc(C[NH+]3CCCC3)cc2)c(N2CCCC2)c1 ZINC001203795882 1049000098 /nfs/dbraw/zinc/00/00/98/1049000098.db2.gz NANQBLVQDZXSIX-UHFFFAOYSA-N 2 2 322.456 4.021 20 0 DIADLP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000078378539 1049030876 /nfs/dbraw/zinc/03/08/76/1049030876.db2.gz JQOYMUDHWFGBFS-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557189 1049061531 /nfs/dbraw/zinc/06/15/31/1049061531.db2.gz NGEKVKNAZIYSFH-NZSAHSFTSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557189 1049061542 /nfs/dbraw/zinc/06/15/42/1049061542.db2.gz NGEKVKNAZIYSFH-NZSAHSFTSA-N 2 2 300.490 4.065 20 0 DIADLP Cc1cccc(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)c1C ZINC001178561143 1049061735 /nfs/dbraw/zinc/06/17/35/1049061735.db2.gz BJNZVCTYXFEAFV-UHFFFAOYSA-N 2 2 314.517 4.439 20 0 DIADLP c1cn2c(cccc2Nc2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC001204088157 1049081079 /nfs/dbraw/zinc/08/10/79/1049081079.db2.gz XTCMXTUFZACYTP-UHFFFAOYSA-N 2 2 306.413 4.064 20 0 DIADLP Cc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001178791319 1049089615 /nfs/dbraw/zinc/08/96/15/1049089615.db2.gz XNNSUFDWEHLYTI-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C[C@@H]1C ZINC001178790842 1049089639 /nfs/dbraw/zinc/08/96/39/1049089639.db2.gz FJKXYMFUWGURRQ-ILXRZTDVSA-N 2 2 317.864 4.440 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001204169442 1049101941 /nfs/dbraw/zinc/10/19/41/1049101941.db2.gz PHIYALJNHGTZBO-IBGZPJMESA-N 2 2 310.441 4.167 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001204169442 1049101945 /nfs/dbraw/zinc/10/19/45/1049101945.db2.gz PHIYALJNHGTZBO-IBGZPJMESA-N 2 2 310.441 4.167 20 0 DIADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1Cl ZINC001179168977 1049138664 /nfs/dbraw/zinc/13/86/64/1049138664.db2.gz ODBWZIDKLQWTQK-QGZVFWFLSA-N 2 2 306.881 4.145 20 0 DIADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1Cl ZINC001179168977 1049138674 /nfs/dbraw/zinc/13/86/74/1049138674.db2.gz ODBWZIDKLQWTQK-QGZVFWFLSA-N 2 2 306.881 4.145 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC001179238708 1049145606 /nfs/dbraw/zinc/14/56/06/1049145606.db2.gz XCPAITGUUPUDTQ-IBGZPJMESA-N 2 2 323.484 4.028 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)cc2)C1 ZINC001179238708 1049145608 /nfs/dbraw/zinc/14/56/08/1049145608.db2.gz XCPAITGUUPUDTQ-IBGZPJMESA-N 2 2 323.484 4.028 20 0 DIADLP Cc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1C ZINC001204355104 1049149809 /nfs/dbraw/zinc/14/98/09/1049149809.db2.gz XHRSGKWKPIWBED-UHFFFAOYSA-N 2 2 322.496 4.400 20 0 DIADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1C ZINC001204355104 1049149811 /nfs/dbraw/zinc/14/98/11/1049149811.db2.gz XHRSGKWKPIWBED-UHFFFAOYSA-N 2 2 322.496 4.400 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(CC3CCC3)c2)CC1 ZINC001204411715 1049158378 /nfs/dbraw/zinc/15/83/78/1049158378.db2.gz QLSRHVZDURBCAD-UHFFFAOYSA-N 2 2 314.517 4.335 20 0 DIADLP C[C@H]1C[C@H]([N@H+](C)CC[C@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099258 1049285214 /nfs/dbraw/zinc/28/52/14/1049285214.db2.gz XIKGBECDBUWRAY-LZWOXQAQSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@H]([N@@H+](C)CC[C@H]2CCCC[NH+]2C)c2ccsc2S1 ZINC001180099258 1049285225 /nfs/dbraw/zinc/28/52/25/1049285225.db2.gz XIKGBECDBUWRAY-LZWOXQAQSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)c2ccsc2S1 ZINC001180099258 1049285236 /nfs/dbraw/zinc/28/52/36/1049285236.db2.gz XIKGBECDBUWRAY-LZWOXQAQSA-N 2 2 324.559 4.480 20 0 DIADLP C[C@H]1C[C@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)c2ccsc2S1 ZINC001180099258 1049285249 /nfs/dbraw/zinc/28/52/49/1049285249.db2.gz XIKGBECDBUWRAY-LZWOXQAQSA-N 2 2 324.559 4.480 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204937871 1049316981 /nfs/dbraw/zinc/31/69/81/1049316981.db2.gz HVLGSZUPANQAJN-OAQYLSRUSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204937871 1049316988 /nfs/dbraw/zinc/31/69/88/1049316988.db2.gz HVLGSZUPANQAJN-OAQYLSRUSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)cc2)c1 ZINC001204945031 1049319907 /nfs/dbraw/zinc/31/99/07/1049319907.db2.gz DFMLWTLYXKHMPA-NRFANRHFSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@](C)([NH3+])C3)cc2)c1 ZINC001204945031 1049319913 /nfs/dbraw/zinc/31/99/13/1049319913.db2.gz DFMLWTLYXKHMPA-NRFANRHFSA-N 2 2 323.484 4.076 20 0 DIADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc(C)c1Cl ZINC001205058719 1049357857 /nfs/dbraw/zinc/35/78/57/1049357857.db2.gz KVZJMNLOZGCCHZ-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc(C)c1Cl ZINC001205058719 1049357861 /nfs/dbraw/zinc/35/78/61/1049357861.db2.gz KVZJMNLOZGCCHZ-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205265829 1049421702 /nfs/dbraw/zinc/42/17/02/1049421702.db2.gz RQZUUZNVBCHSBA-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001205265829 1049421707 /nfs/dbraw/zinc/42/17/07/1049421707.db2.gz RQZUUZNVBCHSBA-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001181115440 1049441261 /nfs/dbraw/zinc/44/12/61/1049441261.db2.gz YATHVDPVKWTGCR-UZLBHIALSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001181115440 1049441268 /nfs/dbraw/zinc/44/12/68/1049441268.db2.gz YATHVDPVKWTGCR-UZLBHIALSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2[nH]1 ZINC000775622245 1049456269 /nfs/dbraw/zinc/45/62/69/1049456269.db2.gz SGWFIXAVGCZZCJ-KDOFPFPSSA-N 2 2 310.445 4.130 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000775622621 1049457936 /nfs/dbraw/zinc/45/79/36/1049457936.db2.gz XWZGMGFTNWMOLV-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2ccccc2[nH]1 ZINC000775626867 1049459703 /nfs/dbraw/zinc/45/97/03/1049459703.db2.gz LDKIIYXNYJOJKP-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC001181465043 1049480903 /nfs/dbraw/zinc/48/09/03/1049480903.db2.gz SXXKTBTUUQJVFB-QKNQBKEWSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC001181465043 1049480910 /nfs/dbraw/zinc/48/09/10/1049480910.db2.gz SXXKTBTUUQJVFB-QKNQBKEWSA-N 2 2 312.501 4.004 20 0 DIADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001181436717 1049481890 /nfs/dbraw/zinc/48/18/90/1049481890.db2.gz YZFHECLTRDRYJM-HNAYVOBHSA-N 2 2 314.473 4.074 20 0 DIADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001181436717 1049481893 /nfs/dbraw/zinc/48/18/93/1049481893.db2.gz YZFHECLTRDRYJM-HNAYVOBHSA-N 2 2 314.473 4.074 20 0 DIADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1)Cc1ccco1 ZINC001181590626 1049491130 /nfs/dbraw/zinc/49/11/30/1049491130.db2.gz OVYUHNDWDCUBIY-QGZVFWFLSA-N 2 2 306.494 4.250 20 0 DIADLP C[NH+](CCC[N@H+](C)C[C@@H]1CCCC(C)(C)C1)Cc1ccco1 ZINC001181590626 1049491136 /nfs/dbraw/zinc/49/11/36/1049491136.db2.gz OVYUHNDWDCUBIY-QGZVFWFLSA-N 2 2 306.494 4.250 20 0 DIADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CCCC(C)(C)C1 ZINC001181590626 1049491145 /nfs/dbraw/zinc/49/11/45/1049491145.db2.gz OVYUHNDWDCUBIY-QGZVFWFLSA-N 2 2 306.494 4.250 20 0 DIADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CCCC(C)(C)C1 ZINC001181590626 1049491148 /nfs/dbraw/zinc/49/11/48/1049491148.db2.gz OVYUHNDWDCUBIY-QGZVFWFLSA-N 2 2 306.494 4.250 20 0 DIADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[NH+](CC)CC)cc1 ZINC001182109707 1049570493 /nfs/dbraw/zinc/57/04/93/1049570493.db2.gz REQHBSUMUFPARG-IVAOSVALSA-N 2 2 314.517 4.410 20 0 DIADLP CC(C)[NH2+]Cc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000863690162 1049588648 /nfs/dbraw/zinc/58/86/48/1049588648.db2.gz LYKMHMFMHNBAFF-UHFFFAOYSA-N 2 2 305.425 4.096 20 0 DIADLP CC[C@@H]1Cc2c(cccc2-c2cccc(Cn3cc[nH+]c3)c2)C[NH2+]1 ZINC000863690851 1049588982 /nfs/dbraw/zinc/58/89/82/1049588982.db2.gz XQNPVSFPWVZMPY-LJQANCHMSA-N 2 2 317.436 4.023 20 0 DIADLP Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1cccc(Cn2cc[nH+]c2)c1 ZINC000863690863 1049589361 /nfs/dbraw/zinc/58/93/61/1049589361.db2.gz YEJAKJKYKGATRI-OAQYLSRUSA-N 2 2 317.436 4.331 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205888368 1049593141 /nfs/dbraw/zinc/59/31/41/1049593141.db2.gz BPAOZPBOGODPHC-QRWLVFNGSA-N 2 2 308.469 4.140 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205888368 1049593154 /nfs/dbraw/zinc/59/31/54/1049593154.db2.gz BPAOZPBOGODPHC-QRWLVFNGSA-N 2 2 308.469 4.140 20 0 DIADLP Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000863982857 1049607869 /nfs/dbraw/zinc/60/78/69/1049607869.db2.gz GOFJCCVXFLJNNR-MRXNPFEDSA-N 2 2 311.473 4.296 20 0 DIADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001205937959 1049608161 /nfs/dbraw/zinc/60/81/61/1049608161.db2.gz DAAWSAVEOZEEKA-OAHLLOKOSA-N 2 2 310.466 4.368 20 0 DIADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001205937959 1049608164 /nfs/dbraw/zinc/60/81/64/1049608164.db2.gz DAAWSAVEOZEEKA-OAHLLOKOSA-N 2 2 310.466 4.368 20 0 DIADLP Cc1cc(N[C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1[NH+](C)C ZINC000863986500 1049608524 /nfs/dbraw/zinc/60/85/24/1049608524.db2.gz BYHIIDHEELZXHS-INIZCTEOSA-N 2 2 311.473 4.296 20 0 DIADLP CC1=CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001205980957 1049617167 /nfs/dbraw/zinc/61/71/67/1049617167.db2.gz UGEWVBRTVNJASJ-AWEZNQCLSA-N 2 2 301.821 4.114 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc3sc4ccccc4c3c2)C[C@H]1[NH3+] ZINC001206049829 1049640873 /nfs/dbraw/zinc/64/08/73/1049640873.db2.gz RWNUNNNLYSULGD-CXAGYDPISA-N 2 2 310.466 4.224 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C[C@H]1[NH3+] ZINC001206049829 1049640879 /nfs/dbraw/zinc/64/08/79/1049640879.db2.gz RWNUNNNLYSULGD-CXAGYDPISA-N 2 2 310.466 4.224 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001206167582 1049673759 /nfs/dbraw/zinc/67/37/59/1049673759.db2.gz IKQYJELTDVQEIU-ZIFCJYIRSA-N 2 2 302.506 4.311 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001206167582 1049673765 /nfs/dbraw/zinc/67/37/65/1049673765.db2.gz IKQYJELTDVQEIU-ZIFCJYIRSA-N 2 2 302.506 4.311 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001182634896 1049691874 /nfs/dbraw/zinc/69/18/74/1049691874.db2.gz SLURWXQDAJSUQF-WOZUAGRISA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001182634896 1049691878 /nfs/dbraw/zinc/69/18/78/1049691878.db2.gz SLURWXQDAJSUQF-WOZUAGRISA-N 2 2 312.501 4.103 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182634784 1049691941 /nfs/dbraw/zinc/69/19/41/1049691941.db2.gz PCHIDJBCGLNGRN-ROUUACIJSA-N 2 2 324.871 4.018 20 0 DIADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182634784 1049691948 /nfs/dbraw/zinc/69/19/48/1049691948.db2.gz PCHIDJBCGLNGRN-ROUUACIJSA-N 2 2 324.871 4.018 20 0 DIADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001206263407 1049693452 /nfs/dbraw/zinc/69/34/52/1049693452.db2.gz XAWINGMTEKFBQB-AWEZNQCLSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001206263407 1049693461 /nfs/dbraw/zinc/69/34/61/1049693461.db2.gz XAWINGMTEKFBQB-AWEZNQCLSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@H](C[N@@H+]1CCCC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335508 1049714592 /nfs/dbraw/zinc/71/45/92/1049714592.db2.gz FLOCYGCPFIZUGS-UZLBHIALSA-N 2 2 314.448 4.096 20 0 DIADLP C[C@H](C[N@H+]1CCCC[C@](F)(C[NH3+])C1)c1cccc2ccccc21 ZINC001206335508 1049714608 /nfs/dbraw/zinc/71/46/08/1049714608.db2.gz FLOCYGCPFIZUGS-UZLBHIALSA-N 2 2 314.448 4.096 20 0 DIADLP Cc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1Cl ZINC001206563896 1049757932 /nfs/dbraw/zinc/75/79/32/1049757932.db2.gz KBVZJKVTRXOQMQ-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1Cl ZINC001206563896 1049757944 /nfs/dbraw/zinc/75/79/44/1049757944.db2.gz KBVZJKVTRXOQMQ-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)cc1Cl ZINC001206572602 1049758713 /nfs/dbraw/zinc/75/87/13/1049758713.db2.gz DAVSDMSNADEZKX-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)cc1Cl ZINC001206572602 1049758721 /nfs/dbraw/zinc/75/87/21/1049758721.db2.gz DAVSDMSNADEZKX-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP CC(C)[N@H+](Cc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206580066 1049761062 /nfs/dbraw/zinc/76/10/62/1049761062.db2.gz BVYQBEWLDUULQS-ZDUSSCGKSA-N 2 2 315.288 4.346 20 0 DIADLP CC(C)[N@@H+](Cc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206580066 1049761068 /nfs/dbraw/zinc/76/10/68/1049761068.db2.gz BVYQBEWLDUULQS-ZDUSSCGKSA-N 2 2 315.288 4.346 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001206644172 1049774544 /nfs/dbraw/zinc/77/45/44/1049774544.db2.gz DXRIXUNAKTYFKJ-QYZOEREBSA-N 2 2 300.490 4.094 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001206644172 1049774552 /nfs/dbraw/zinc/77/45/52/1049774552.db2.gz DXRIXUNAKTYFKJ-QYZOEREBSA-N 2 2 300.490 4.094 20 0 DIADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001206744156 1049791051 /nfs/dbraw/zinc/79/10/51/1049791051.db2.gz RNFCLSKZRBGITK-UHFFFAOYSA-N 2 2 310.445 4.190 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001206989546 1049816789 /nfs/dbraw/zinc/81/67/89/1049816789.db2.gz CNWNDXGATVTAKI-JQHSSLGASA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001206989546 1049816800 /nfs/dbraw/zinc/81/68/00/1049816800.db2.gz CNWNDXGATVTAKI-JQHSSLGASA-N 2 2 306.881 4.050 20 0 DIADLP CC1=CC[C@H](CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1(C)C ZINC001207268659 1049872345 /nfs/dbraw/zinc/87/23/45/1049872345.db2.gz MRWBXXAUAYWWDH-QGZVFWFLSA-N 2 2 314.473 4.307 20 0 DIADLP CC1=CC[C@@H](CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1(C)C ZINC001207268658 1049872774 /nfs/dbraw/zinc/87/27/74/1049872774.db2.gz MRWBXXAUAYWWDH-KRWDZBQOSA-N 2 2 314.473 4.307 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001207286496 1049874336 /nfs/dbraw/zinc/87/43/36/1049874336.db2.gz UWOAOLHORBGZJD-LBPRGKRZSA-N 2 2 300.899 4.126 20 0 DIADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001207286496 1049874344 /nfs/dbraw/zinc/87/43/44/1049874344.db2.gz UWOAOLHORBGZJD-LBPRGKRZSA-N 2 2 300.899 4.126 20 0 DIADLP CC(C)c1ccc(CC[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001207523648 1049904425 /nfs/dbraw/zinc/90/44/25/1049904425.db2.gz JROMCGHXWIPORN-UHFFFAOYSA-N 2 2 302.506 4.157 20 0 DIADLP CC(C)c1ccc(CC[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001207523648 1049904435 /nfs/dbraw/zinc/90/44/35/1049904435.db2.gz JROMCGHXWIPORN-UHFFFAOYSA-N 2 2 302.506 4.157 20 0 DIADLP C[C@@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)c1cccc(Cl)c1 ZINC001207741778 1049933219 /nfs/dbraw/zinc/93/32/19/1049933219.db2.gz KYEAYDMYNQUCNA-AWEZNQCLSA-N 2 2 306.881 4.050 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001207763185 1049936550 /nfs/dbraw/zinc/93/65/50/1049936550.db2.gz MXCDKFJQDGXFMM-RBUKOAKNSA-N 2 2 306.538 4.447 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001207763185 1049936559 /nfs/dbraw/zinc/93/65/59/1049936559.db2.gz MXCDKFJQDGXFMM-RBUKOAKNSA-N 2 2 306.538 4.447 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000571632523 1049941217 /nfs/dbraw/zinc/94/12/17/1049941217.db2.gz QAXPUKMZIWQKLO-KXBFYZLASA-N 2 2 300.446 4.014 20 0 DIADLP CC1(C)CC[N@H+](CCCCCOc2ccccc2)CC(C)(C)[NH2+]1 ZINC001207837397 1049944400 /nfs/dbraw/zinc/94/44/00/1049944400.db2.gz PQARXLVUHABPAV-UHFFFAOYSA-N 2 2 318.505 4.088 20 0 DIADLP CC1(C)CC[N@@H+](CCCCCOc2ccccc2)CC(C)(C)[NH2+]1 ZINC001207837397 1049944416 /nfs/dbraw/zinc/94/44/16/1049944416.db2.gz PQARXLVUHABPAV-UHFFFAOYSA-N 2 2 318.505 4.088 20 0 DIADLP C[C@H](CCc1ccco1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000572112042 1049994567 /nfs/dbraw/zinc/99/45/67/1049994567.db2.gz AIGHHHBOMIIIKS-QRWLVFNGSA-N 2 2 308.425 4.044 20 0 DIADLP c1coc(C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947065 1050027918 /nfs/dbraw/zinc/02/79/18/1050027918.db2.gz YHZIIICXTNKNLT-IBGZPJMESA-N 2 2 324.468 4.156 20 0 DIADLP c1coc(C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947065 1050027923 /nfs/dbraw/zinc/02/79/23/1050027923.db2.gz YHZIIICXTNKNLT-IBGZPJMESA-N 2 2 324.468 4.156 20 0 DIADLP c1coc(C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947065 1050027929 /nfs/dbraw/zinc/02/79/29/1050027929.db2.gz YHZIIICXTNKNLT-IBGZPJMESA-N 2 2 324.468 4.156 20 0 DIADLP c1coc(C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947065 1050027932 /nfs/dbraw/zinc/02/79/32/1050027932.db2.gz YHZIIICXTNKNLT-IBGZPJMESA-N 2 2 324.468 4.156 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449273 1050060567 /nfs/dbraw/zinc/06/05/67/1050060567.db2.gz WQKZLEYDKJKFHV-GOSISDBHSA-N 2 2 306.881 4.353 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449273 1050060569 /nfs/dbraw/zinc/06/05/69/1050060569.db2.gz WQKZLEYDKJKFHV-GOSISDBHSA-N 2 2 306.881 4.353 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)Cc1c[nH+]ccc1N ZINC001209733316 1050080150 /nfs/dbraw/zinc/08/01/50/1050080150.db2.gz KGHBOBGSWAOLLD-IBGZPJMESA-N 2 2 311.473 4.118 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cc1c[nH+]ccc1N ZINC001209733316 1050080155 /nfs/dbraw/zinc/08/01/55/1050080155.db2.gz KGHBOBGSWAOLLD-IBGZPJMESA-N 2 2 311.473 4.118 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000823944371 1050172459 /nfs/dbraw/zinc/17/24/59/1050172459.db2.gz ZMLWTUXDRIULIY-INIZCTEOSA-N 2 2 317.521 4.136 20 0 DIADLP C[NH+](C)[C@H]1CCOc2c(Nc3cccc4cc[nH+]cc43)cccc21 ZINC001210233333 1050172671 /nfs/dbraw/zinc/17/26/71/1050172671.db2.gz VQVZZCFKQFATSB-IBGZPJMESA-N 2 2 319.408 4.364 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2Cl)CC[NH2+]1 ZINC001210497114 1050268435 /nfs/dbraw/zinc/26/84/35/1050268435.db2.gz LEIVBFAIWZLVOS-OAHLLOKOSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2Cl)CC[NH2+]1 ZINC001210497114 1050268438 /nfs/dbraw/zinc/26/84/38/1050268438.db2.gz LEIVBFAIWZLVOS-OAHLLOKOSA-N 2 2 314.860 4.191 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000592976694 1050350934 /nfs/dbraw/zinc/35/09/34/1050350934.db2.gz ZYNNTJCOCRBHCA-GHRIWEEISA-N 2 2 303.409 4.065 20 0 DIADLP CCC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccsc1 ZINC000785563594 1050393125 /nfs/dbraw/zinc/39/31/25/1050393125.db2.gz OCHBXPRIZIGFBV-CVEARBPZSA-N 2 2 305.491 4.490 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787284697 1050582168 /nfs/dbraw/zinc/58/21/68/1050582168.db2.gz KQWOAUXHQMGKTP-APWZRJJASA-N 2 2 317.436 4.253 20 0 DIADLP c1c[nH+]c(-c2ccc(Nc3ccccc3C[NH+]3CCCC3)cc2)[nH]1 ZINC001213089023 1050586870 /nfs/dbraw/zinc/58/68/70/1050586870.db2.gz PNFZUJCYFASBKF-UHFFFAOYSA-N 2 2 318.424 4.416 20 0 DIADLP Clc1ccc(Cl)c(C[NH2+]CCCn2cc[nH+]c2)c1Cl ZINC000035054854 1050651569 /nfs/dbraw/zinc/65/15/69/1050651569.db2.gz FLOCCFZMFLORJF-UHFFFAOYSA-N 2 2 318.635 4.023 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCC(F)(F)CC1 ZINC000788989047 1050774436 /nfs/dbraw/zinc/77/44/36/1050774436.db2.gz UMFNPTGFCYFGBK-DZGCQCFKSA-N 2 2 313.436 4.101 20 0 DIADLP CCC(CC)[NH+]1CCC(Nc2[nH+]c(C)cc(Cl)c2C)CC1 ZINC001161099512 1050930195 /nfs/dbraw/zinc/93/01/95/1050930195.db2.gz XDTQWEJRKAKYCN-UHFFFAOYSA-N 2 2 309.885 4.417 20 0 DIADLP C[C@@H]1CC[C@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001170144190 1050994883 /nfs/dbraw/zinc/99/48/83/1050994883.db2.gz FGPFJEOZHZZSQV-KDOFPFPSSA-N 2 2 321.424 4.182 20 0 DIADLP C[C@@H]1CC[C@@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151336 1051038140 /nfs/dbraw/zinc/03/81/40/1051038140.db2.gz QSNYXMYPZQHOTE-IZXGSOTDSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]1CC[C@@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151336 1051038149 /nfs/dbraw/zinc/03/81/49/1051038149.db2.gz QSNYXMYPZQHOTE-IZXGSOTDSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]1CC[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151336 1051038160 /nfs/dbraw/zinc/03/81/60/1051038160.db2.gz QSNYXMYPZQHOTE-IZXGSOTDSA-N 2 2 314.517 4.070 20 0 DIADLP C[C@@H]1CC[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001170151336 1051038166 /nfs/dbraw/zinc/03/81/66/1051038166.db2.gz QSNYXMYPZQHOTE-IZXGSOTDSA-N 2 2 314.517 4.070 20 0 DIADLP Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000773067692 1051045072 /nfs/dbraw/zinc/04/50/72/1051045072.db2.gz JUGUFSUEUNRPDU-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1cccc2c1CC[C@@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)C2 ZINC001171562825 1051168603 /nfs/dbraw/zinc/16/86/03/1051168603.db2.gz AETCKPUJRKDHAD-LJQANCHMSA-N 2 2 317.436 4.047 20 0 DIADLP CC(C)[N@H+]([C@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170293913 1051178155 /nfs/dbraw/zinc/17/81/55/1051178155.db2.gz NLEHIIOBCGNWLM-OAHLLOKOSA-N 2 2 308.897 4.076 20 0 DIADLP CC(C)[N@@H+]([C@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170293913 1051178160 /nfs/dbraw/zinc/17/81/60/1051178160.db2.gz NLEHIIOBCGNWLM-OAHLLOKOSA-N 2 2 308.897 4.076 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]C2(c3ccccc3F)CC2)CC1(C)C ZINC001171623804 1051180116 /nfs/dbraw/zinc/18/01/16/1051180116.db2.gz GRUSAAVOSUUIBG-UHFFFAOYSA-N 2 2 304.453 4.056 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001171671834 1051191991 /nfs/dbraw/zinc/19/19/91/1051191991.db2.gz RYVSBOVMTJYNGZ-GOSISDBHSA-N 2 2 324.468 4.255 20 0 DIADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1(C)C ZINC001171643022 1051197755 /nfs/dbraw/zinc/19/77/55/1051197755.db2.gz PLWAYAAFXHZYLO-HNNXBMFYSA-N 2 2 310.501 4.242 20 0 DIADLP Cc1cn2cccc(Nc3ccc(C[NH2+]CC(C)C)cc3)c2[nH+]1 ZINC001215743692 1051337588 /nfs/dbraw/zinc/33/75/88/1051337588.db2.gz FVILMVDTRMVTTF-UHFFFAOYSA-N 2 2 308.429 4.132 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001215744802 1051338455 /nfs/dbraw/zinc/33/84/55/1051338455.db2.gz JALAFPINTQYYQT-UHFFFAOYSA-N 2 2 320.440 4.362 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001215745108 1051339373 /nfs/dbraw/zinc/33/93/73/1051339373.db2.gz QVKVRYISUONNBX-UHFFFAOYSA-N 2 2 324.472 4.171 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001215745573 1051340600 /nfs/dbraw/zinc/34/06/00/1051340600.db2.gz VTBJHRXLDYTORR-UHFFFAOYSA-N 2 2 320.440 4.362 20 0 DIADLP C[NH+]1C(C)(C)CC(Nc2[nH+]ccc3cc(F)ccc32)CC1(C)C ZINC001170454601 1051427932 /nfs/dbraw/zinc/42/79/32/1051427932.db2.gz ZEYLREOCLJKBSZ-UHFFFAOYSA-N 2 2 315.436 4.437 20 0 DIADLP c1cn([C@@H]2CCC[C@@H](c3ccccc3)C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001172550755 1051433414 /nfs/dbraw/zinc/43/34/14/1051433414.db2.gz AQJSAHMAOOHCSA-GUDVDZBRSA-N 2 2 309.457 4.249 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552115 1051435437 /nfs/dbraw/zinc/43/54/37/1051435437.db2.gz DBEQHHZQPNRPJS-SXLOBPIMSA-N 2 2 300.490 4.033 20 0 DIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551206 1051435529 /nfs/dbraw/zinc/43/55/29/1051435529.db2.gz FRWUAPXDHGVZSH-QUCCMNQESA-N 2 2 300.490 4.129 20 0 DIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551206 1051435540 /nfs/dbraw/zinc/43/55/40/1051435540.db2.gz FRWUAPXDHGVZSH-QUCCMNQESA-N 2 2 300.490 4.129 20 0 DIADLP c1ccc([C@@H]2CC[C@H]([NH+]3CCC(Oc4cc[nH+]cc4)CC3)C2)cc1 ZINC001172564418 1051442256 /nfs/dbraw/zinc/44/22/56/1051442256.db2.gz VYQCFAWVQCKTSS-MOPGFXCFSA-N 2 2 322.452 4.261 20 0 DIADLP c1cn2cc(C[NH2+][C@@H]3CCC[C@@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001172545832 1051457694 /nfs/dbraw/zinc/45/76/94/1051457694.db2.gz MMKYPNLRKRNLQH-RTBURBONSA-N 2 2 305.425 4.150 20 0 DIADLP Cc1[nH+]cn(C2CCC3(CCCC3)CC2)c1CSCC[NH3+] ZINC001172726642 1051485693 /nfs/dbraw/zinc/48/56/93/1051485693.db2.gz YVGHOEUAFGPHRP-UHFFFAOYSA-N 2 2 307.507 4.059 20 0 DIADLP CC(C)C[C@@H](Cc1ccccc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001169083809 1051514815 /nfs/dbraw/zinc/51/48/15/1051514815.db2.gz GRWSMCMVIYCVKI-OALUTQOASA-N 2 2 311.473 4.180 20 0 DIADLP CC[NH+](CC)c1ccc(Nc2cccc(C[NH+](C)C)c2F)cc1 ZINC001216231010 1051638816 /nfs/dbraw/zinc/63/88/16/1051638816.db2.gz NCEOGTCQRPAPCC-UHFFFAOYSA-N 2 2 315.436 4.477 20 0 DIADLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001173272217 1051669475 /nfs/dbraw/zinc/66/94/75/1051669475.db2.gz IZALUWHRDIUSNB-QFBILLFUSA-N 2 2 318.480 4.267 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(OCC2CC2)cc[nH+]1 ZINC001169695582 1051675501 /nfs/dbraw/zinc/67/55/01/1051675501.db2.gz HGVLYOYAVZZVEM-GOSISDBHSA-N 2 2 323.440 4.111 20 0 DIADLP CC[C@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296531 1051678588 /nfs/dbraw/zinc/67/85/88/1051678588.db2.gz UUSOJVBEXADKNK-QFBILLFUSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001173296531 1051678595 /nfs/dbraw/zinc/67/85/95/1051678595.db2.gz UUSOJVBEXADKNK-QFBILLFUSA-N 2 2 318.480 4.301 20 0 DIADLP Fc1cc(Cl)ccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000494456040 1051896604 /nfs/dbraw/zinc/89/66/04/1051896604.db2.gz PMRHTXOMTILFFF-UHFFFAOYSA-N 2 2 321.808 4.016 20 0 DIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000192454040 1052013886 /nfs/dbraw/zinc/01/38/86/1052013886.db2.gz GLQUZYYGEQSBJR-UHFFFAOYSA-N 2 2 312.910 4.024 20 0 DIADLP c1cn2cc(Nc3ccc([NH+]4CCCCCC4)cc3)ccc2[nH+]1 ZINC001174278815 1052085997 /nfs/dbraw/zinc/08/59/97/1052085997.db2.gz JIQRLINOPNTLQL-UHFFFAOYSA-N 2 2 306.413 4.458 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000495071976 1052207523 /nfs/dbraw/zinc/20/75/23/1052207523.db2.gz QXIOBYBPFPYQPQ-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000495071976 1052207532 /nfs/dbraw/zinc/20/75/32/1052207532.db2.gz QXIOBYBPFPYQPQ-UHFFFAOYSA-N 2 2 324.896 4.043 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000229188683 1052216527 /nfs/dbraw/zinc/21/65/27/1052216527.db2.gz WMXOOVNIFAJEMO-UHFFFAOYSA-N 2 2 315.288 4.346 20 0 DIADLP C[C@H]([NH2+]Cc1ccsc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312761914 1052293150 /nfs/dbraw/zinc/29/31/50/1052293150.db2.gz NVIJMRSNWBUEIV-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP CSc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000315756096 1052350241 /nfs/dbraw/zinc/35/02/41/1052350241.db2.gz ILGWCTJTKCVXES-YOEHRIQHSA-N 2 2 317.502 4.371 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000315938563 1052356891 /nfs/dbraw/zinc/35/68/91/1052356891.db2.gz WUNDIGFILNDTDP-IAGOWNOFSA-N 2 2 303.425 4.178 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000915228007 1052370595 /nfs/dbraw/zinc/37/05/95/1052370595.db2.gz REWJXYKNSRRUKP-LVCYWYKZSA-N 2 2 323.484 4.380 20 0 DIADLP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236661858 1052429373 /nfs/dbraw/zinc/42/93/73/1052429373.db2.gz RJHDGVKXSRDGQF-QZTJIDSGSA-N 2 2 315.505 4.245 20 0 DIADLP C[C@H](CC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000237467256 1052441611 /nfs/dbraw/zinc/44/16/11/1052441611.db2.gz WGJSBILQWOFFQQ-GOSISDBHSA-N 2 2 319.452 4.215 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154177 1052451558 /nfs/dbraw/zinc/45/15/58/1052451558.db2.gz HPLCOOPBLUIFOK-GOSISDBHSA-N 2 2 306.881 4.039 20 0 DIADLP CC(C)c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC001222154177 1052451559 /nfs/dbraw/zinc/45/15/59/1052451559.db2.gz HPLCOOPBLUIFOK-GOSISDBHSA-N 2 2 306.881 4.039 20 0 DIADLP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153655736 1052462227 /nfs/dbraw/zinc/46/22/27/1052462227.db2.gz NWMVGZJAPNXUGI-ZDUSSCGKSA-N 2 2 321.465 4.021 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)s2)c1 ZINC001222244406 1052468099 /nfs/dbraw/zinc/46/80/99/1052468099.db2.gz XUFVAHKTMVGAFG-KRWDZBQOSA-N 2 2 318.511 4.195 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)s2)c1 ZINC001222244406 1052468100 /nfs/dbraw/zinc/46/81/00/1052468100.db2.gz XUFVAHKTMVGAFG-KRWDZBQOSA-N 2 2 318.511 4.195 20 0 DIADLP Clc1cccc(Cl)c1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308039 1052479121 /nfs/dbraw/zinc/47/91/21/1052479121.db2.gz FVHDPYBVCZHHRD-INIZCTEOSA-N 2 2 313.272 4.102 20 0 DIADLP Clc1cccc(Cl)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308039 1052479125 /nfs/dbraw/zinc/47/91/25/1052479125.db2.gz FVHDPYBVCZHHRD-INIZCTEOSA-N 2 2 313.272 4.102 20 0 DIADLP Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222344631 1052487876 /nfs/dbraw/zinc/48/78/76/1052487876.db2.gz BAKDTSBGPBVGKO-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222344631 1052487879 /nfs/dbraw/zinc/48/78/79/1052487879.db2.gz BAKDTSBGPBVGKO-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2ccccc2o1 ZINC000026313783 1052489037 /nfs/dbraw/zinc/48/90/37/1052489037.db2.gz NHJKQFRRHCKIBJ-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000322637428 1052493798 /nfs/dbraw/zinc/49/37/98/1052493798.db2.gz HWYRLQAYULIXOX-PKOBYXMFSA-N 2 2 315.505 4.245 20 0 DIADLP Fc1cccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cccc12 ZINC001222396544 1052495494 /nfs/dbraw/zinc/49/54/94/1052495494.db2.gz SJJXXVXVELROHS-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1cccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cccc12 ZINC001222396544 1052495497 /nfs/dbraw/zinc/49/54/97/1052495497.db2.gz SJJXXVXVELROHS-HXUWFJFHSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222427504 1052499069 /nfs/dbraw/zinc/49/90/69/1052499069.db2.gz QKTNGJLUBWHYLT-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222427504 1052499071 /nfs/dbraw/zinc/49/90/71/1052499071.db2.gz QKTNGJLUBWHYLT-NRFANRHFSA-N 2 2 324.443 4.211 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222434235 1052500368 /nfs/dbraw/zinc/50/03/68/1052500368.db2.gz HCBPSSOYHNOORD-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222434235 1052500375 /nfs/dbraw/zinc/50/03/75/1052500375.db2.gz HCBPSSOYHNOORD-OAQYLSRUSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398001640 1052561566 /nfs/dbraw/zinc/56/15/66/1052561566.db2.gz FDIXHGKADWFNBA-HHXXYDBFSA-N 2 2 312.457 4.149 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398001640 1052561576 /nfs/dbraw/zinc/56/15/76/1052561576.db2.gz FDIXHGKADWFNBA-HHXXYDBFSA-N 2 2 312.457 4.149 20 0 DIADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038310 1052563879 /nfs/dbraw/zinc/56/38/79/1052563879.db2.gz VLWXCOUKOJNTML-LAUBAEHRSA-N 2 2 324.468 4.098 20 0 DIADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(O)c1 ZINC000398038310 1052563888 /nfs/dbraw/zinc/56/38/88/1052563888.db2.gz VLWXCOUKOJNTML-LAUBAEHRSA-N 2 2 324.468 4.098 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649379 1052628075 /nfs/dbraw/zinc/62/80/75/1052628075.db2.gz KYMAXXKESKGZIH-NEPJUHHUSA-N 2 2 313.272 4.128 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649379 1052628078 /nfs/dbraw/zinc/62/80/78/1052628078.db2.gz KYMAXXKESKGZIH-NEPJUHHUSA-N 2 2 313.272 4.128 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000556063633 1052795496 /nfs/dbraw/zinc/79/54/96/1052795496.db2.gz OGWIMEOFEKLONV-HOCLYGCPSA-N 2 2 320.889 4.327 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000556063633 1052795499 /nfs/dbraw/zinc/79/54/99/1052795499.db2.gz OGWIMEOFEKLONV-HOCLYGCPSA-N 2 2 320.889 4.327 20 0 DIADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000556236343 1052824709 /nfs/dbraw/zinc/82/47/09/1052824709.db2.gz QVEDCFZBGYFHGA-MRXNPFEDSA-N 2 2 315.505 4.154 20 0 DIADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000556236343 1052824711 /nfs/dbraw/zinc/82/47/11/1052824711.db2.gz QVEDCFZBGYFHGA-MRXNPFEDSA-N 2 2 315.505 4.154 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000347476164 1052852776 /nfs/dbraw/zinc/85/27/76/1052852776.db2.gz HYTXOUKPYPJKJR-WBMJQRKESA-N 2 2 305.372 4.019 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000347476164 1052852778 /nfs/dbraw/zinc/85/27/78/1052852778.db2.gz HYTXOUKPYPJKJR-WBMJQRKESA-N 2 2 305.372 4.019 20 0 DIADLP C[N@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220014 1052882665 /nfs/dbraw/zinc/88/26/65/1052882665.db2.gz YIULKQZYFPXJFJ-OLZOCXBDSA-N 2 2 321.679 4.349 20 0 DIADLP C[N@@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220014 1052882668 /nfs/dbraw/zinc/88/26/68/1052882668.db2.gz YIULKQZYFPXJFJ-OLZOCXBDSA-N 2 2 321.679 4.349 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001474625241 1053064719 /nfs/dbraw/zinc/06/47/19/1053064719.db2.gz KOLHSBYAJCIYQC-ZVZYQTTQSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001474625241 1053064725 /nfs/dbraw/zinc/06/47/25/1053064725.db2.gz KOLHSBYAJCIYQC-ZVZYQTTQSA-N 2 2 320.908 4.439 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001474626757 1053067959 /nfs/dbraw/zinc/06/79/59/1053067959.db2.gz QZLWIRADIKQZIV-JBACZVJFSA-N 2 2 314.517 4.108 20 0 DIADLP Cc1[nH]c2ccc(Nc3cc[nH+]cc3Oc3ccccc3)cc2[nH+]1 ZINC001213070272 1053110243 /nfs/dbraw/zinc/11/02/43/1053110243.db2.gz HUVVTXAVQAVVDB-UHFFFAOYSA-N 2 2 316.364 4.224 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC001474744505 1053296925 /nfs/dbraw/zinc/29/69/25/1053296925.db2.gz IOZYHJRHBRXLRJ-IBGZPJMESA-N 2 2 316.464 4.083 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC001474744505 1053296938 /nfs/dbraw/zinc/29/69/38/1053296938.db2.gz IOZYHJRHBRXLRJ-IBGZPJMESA-N 2 2 316.464 4.083 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC001320480408 1053338486 /nfs/dbraw/zinc/33/84/86/1053338486.db2.gz NTNCBQIOIDYRDZ-UHFFFAOYSA-N 2 2 308.535 4.352 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)c2ccccc21 ZINC000262337120 1053568161 /nfs/dbraw/zinc/56/81/61/1053568161.db2.gz TYGJBUNZMXYCCV-BRWVUGGUSA-N 2 2 314.429 4.097 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccs2)cc1 ZINC001231431021 1053753074 /nfs/dbraw/zinc/75/30/74/1053753074.db2.gz MVHZCYYAOZDFDS-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccs2)cc1 ZINC001231431021 1053753083 /nfs/dbraw/zinc/75/30/83/1053753083.db2.gz MVHZCYYAOZDFDS-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP CC(C)Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001231787005 1053856413 /nfs/dbraw/zinc/85/64/13/1053856413.db2.gz RKFWIPKDNMWEJZ-UHFFFAOYSA-N 2 2 324.468 4.324 20 0 DIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824330 1053880511 /nfs/dbraw/zinc/88/05/11/1053880511.db2.gz ACFVXUSFJOYHSW-RXVVDRJESA-N 2 2 324.443 4.019 20 0 DIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824330 1053880520 /nfs/dbraw/zinc/88/05/20/1053880520.db2.gz ACFVXUSFJOYHSW-RXVVDRJESA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824330 1053880535 /nfs/dbraw/zinc/88/05/35/1053880535.db2.gz ACFVXUSFJOYHSW-RXVVDRJESA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]21 ZINC001231824330 1053880549 /nfs/dbraw/zinc/88/05/49/1053880549.db2.gz ACFVXUSFJOYHSW-RXVVDRJESA-N 2 2 324.443 4.019 20 0 DIADLP Cc1c(F)cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1F ZINC001232426112 1054043742 /nfs/dbraw/zinc/04/37/42/1054043742.db2.gz LZHRVVKISBZZJX-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1c(F)cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1F ZINC001232426112 1054043758 /nfs/dbraw/zinc/04/37/58/1054043758.db2.gz LZHRVVKISBZZJX-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3ccsc3c2)CC1 ZINC001232612769 1054083133 /nfs/dbraw/zinc/08/31/33/1054083133.db2.gz OCDZWWDQAZWQAI-UHFFFAOYSA-N 2 2 302.487 4.208 20 0 DIADLP Cc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)[nH+]c2ccccc12 ZINC001355346316 1054115560 /nfs/dbraw/zinc/11/55/60/1054115560.db2.gz UEXHZODLTYXFPK-SFHVURJKSA-N 2 2 320.440 4.043 20 0 DIADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001233250954 1054216137 /nfs/dbraw/zinc/21/61/37/1054216137.db2.gz HFDRUESUEVITJW-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001233250954 1054216148 /nfs/dbraw/zinc/21/61/48/1054216148.db2.gz HFDRUESUEVITJW-QGZVFWFLSA-N 2 2 316.832 4.005 20 0 DIADLP C[N@H+](Cc1ccc(Cl)o1)C1CC[NH+](C2CCCCC2)CC1 ZINC001233317177 1054228831 /nfs/dbraw/zinc/22/88/31/1054228831.db2.gz BAFFVUJPRSTRJK-UHFFFAOYSA-N 2 2 310.869 4.162 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)o1)C1CC[NH+](C2CCCCC2)CC1 ZINC001233317177 1054228845 /nfs/dbraw/zinc/22/88/45/1054228845.db2.gz BAFFVUJPRSTRJK-UHFFFAOYSA-N 2 2 310.869 4.162 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)CC1(C)C ZINC000623426293 1054592212 /nfs/dbraw/zinc/59/22/12/1054592212.db2.gz IEJQRECBVPJNSN-ZDUSSCGKSA-N 2 2 320.527 4.361 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)CC1(C)C ZINC000623426293 1054592222 /nfs/dbraw/zinc/59/22/22/1054592222.db2.gz IEJQRECBVPJNSN-ZDUSSCGKSA-N 2 2 320.527 4.361 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000177935456 1054638665 /nfs/dbraw/zinc/63/86/65/1054638665.db2.gz ISVDTHCQKFSSES-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccc(Oc2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)cc1 ZINC001235111784 1054660119 /nfs/dbraw/zinc/66/01/19/1054660119.db2.gz VPVXBPZNEBSANT-UHFFFAOYSA-N 2 2 322.452 4.115 20 0 DIADLP Cc1cc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(Cl)cc1Cl ZINC001235143886 1054664265 /nfs/dbraw/zinc/66/42/65/1054664265.db2.gz GCDHRMDBCNHBIT-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP Cc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)c(Cl)cc1Cl ZINC001235143886 1054664270 /nfs/dbraw/zinc/66/42/70/1054664270.db2.gz GCDHRMDBCNHBIT-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235219600 1054683920 /nfs/dbraw/zinc/68/39/20/1054683920.db2.gz VHCMRTHCELDVFK-RTWAWAEBSA-N 2 2 320.480 4.154 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235219600 1054683930 /nfs/dbraw/zinc/68/39/30/1054683930.db2.gz VHCMRTHCELDVFK-RTWAWAEBSA-N 2 2 320.480 4.154 20 0 DIADLP Clc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCC2)cc1 ZINC000179671148 1054693935 /nfs/dbraw/zinc/69/39/35/1054693935.db2.gz KRXSYLAEVUFDSA-KRWDZBQOSA-N 2 2 303.837 4.058 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccc(C)cc2)c1 ZINC001235322044 1054699737 /nfs/dbraw/zinc/69/97/37/1054699737.db2.gz ZDIDPXYSYYDZBR-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccc(C)cc2)c1 ZINC001235322044 1054699742 /nfs/dbraw/zinc/69/97/42/1054699742.db2.gz ZDIDPXYSYYDZBR-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001235723793 1054789410 /nfs/dbraw/zinc/78/94/10/1054789410.db2.gz BPWABVFGCGPEKX-UHFFFAOYSA-N 2 2 318.848 4.174 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001235726612 1054792519 /nfs/dbraw/zinc/79/25/19/1054792519.db2.gz UWBKPTZHRIRCHP-UHFFFAOYSA-N 2 2 318.848 4.174 20 0 DIADLP C[N@H+](Cc1ccc(C[NH3+])cc1)Cc1c(Cl)cccc1Cl ZINC001235791844 1054806125 /nfs/dbraw/zinc/80/61/25/1054806125.db2.gz UVXRMATWNCZTEU-UHFFFAOYSA-N 2 2 309.240 4.084 20 0 DIADLP C[N@@H+](Cc1ccc(C[NH3+])cc1)Cc1c(Cl)cccc1Cl ZINC001235791844 1054806129 /nfs/dbraw/zinc/80/61/29/1054806129.db2.gz UVXRMATWNCZTEU-UHFFFAOYSA-N 2 2 309.240 4.084 20 0 DIADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)sc1C ZINC000623985868 1054840016 /nfs/dbraw/zinc/84/00/16/1054840016.db2.gz FLFLVRVAZWJMRG-ZFWWWQNUSA-N 2 2 303.475 4.076 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)ccc21 ZINC001235907674 1054844678 /nfs/dbraw/zinc/84/46/78/1054844678.db2.gz SBMREKBGUZPOJZ-WBVHZDCISA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)ccc21 ZINC001235907674 1054844685 /nfs/dbraw/zinc/84/46/85/1054844685.db2.gz SBMREKBGUZPOJZ-WBVHZDCISA-N 2 2 321.468 4.126 20 0 DIADLP CC[N@H+](Cc1cccc2c3ccccc3sc21)[C@@H]1CC[NH2+]C1 ZINC001235971530 1054876379 /nfs/dbraw/zinc/87/63/79/1054876379.db2.gz YMTOIJXUOQZMOF-OAHLLOKOSA-N 2 2 310.466 4.238 20 0 DIADLP CC[N@@H+](Cc1cccc2c3ccccc3sc21)[C@@H]1CC[NH2+]C1 ZINC001235971530 1054876398 /nfs/dbraw/zinc/87/63/98/1054876398.db2.gz YMTOIJXUOQZMOF-OAHLLOKOSA-N 2 2 310.466 4.238 20 0 DIADLP CC[N@H+](Cc1sc2scc(C)c2c1C)[C@@H]1CCC[NH2+]C1 ZINC001236005862 1054891142 /nfs/dbraw/zinc/89/11/42/1054891142.db2.gz GCFXFRGWCAJXQI-CYBMUJFWSA-N 2 2 308.516 4.154 20 0 DIADLP CC[N@@H+](Cc1sc2scc(C)c2c1C)[C@@H]1CCC[NH2+]C1 ZINC001236005862 1054891146 /nfs/dbraw/zinc/89/11/46/1054891146.db2.gz GCFXFRGWCAJXQI-CYBMUJFWSA-N 2 2 308.516 4.154 20 0 DIADLP C[N@@H+](Cc1ccccc1-c1ccccc1Cl)C[C@@H]1CCC[NH2+]1 ZINC001236119000 1054956853 /nfs/dbraw/zinc/95/68/53/1054956853.db2.gz QKBAYJOSXLFVHC-INIZCTEOSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+](Cc1ccccc1-c1ccccc1Cl)C[C@@H]1CCC[NH2+]1 ZINC001236119000 1054956864 /nfs/dbraw/zinc/95/68/64/1054956864.db2.gz QKBAYJOSXLFVHC-INIZCTEOSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@@H+](Cc1ccccc1-c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]1 ZINC001236121751 1054957834 /nfs/dbraw/zinc/95/78/34/1054957834.db2.gz BSVQWLKJARWLAT-SFHVURJKSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+](Cc1ccccc1-c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]1 ZINC001236121751 1054957845 /nfs/dbraw/zinc/95/78/45/1054957845.db2.gz BSVQWLKJARWLAT-SFHVURJKSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236209286 1054999673 /nfs/dbraw/zinc/99/96/73/1054999673.db2.gz VVLYCIQRNVNASP-HXUWFJFHSA-N 2 2 308.425 4.160 20 0 DIADLP C[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236209286 1054999683 /nfs/dbraw/zinc/99/96/83/1054999683.db2.gz VVLYCIQRNVNASP-HXUWFJFHSA-N 2 2 308.425 4.160 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215859 1055004457 /nfs/dbraw/zinc/00/44/57/1055004457.db2.gz YMJGJMFQMAAIKD-IAGOWNOFSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215859 1055004465 /nfs/dbraw/zinc/00/44/65/1055004465.db2.gz YMJGJMFQMAAIKD-IAGOWNOFSA-N 2 2 318.848 4.302 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218667 1055010600 /nfs/dbraw/zinc/01/06/00/1055010600.db2.gz STPZPFXNNJXLLM-VQTJNVASSA-N 2 2 324.468 4.064 20 0 DIADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218667 1055010617 /nfs/dbraw/zinc/01/06/17/1055010617.db2.gz STPZPFXNNJXLLM-VQTJNVASSA-N 2 2 324.468 4.064 20 0 DIADLP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182812969 1055012471 /nfs/dbraw/zinc/01/24/71/1055012471.db2.gz WCCOSLBYHGMCJJ-HUUCEWRRSA-N 2 2 305.853 4.051 20 0 DIADLP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182812969 1055012484 /nfs/dbraw/zinc/01/24/84/1055012484.db2.gz WCCOSLBYHGMCJJ-HUUCEWRRSA-N 2 2 305.853 4.051 20 0 DIADLP Cc1csc2sc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c(C)c12 ZINC001236239347 1055026911 /nfs/dbraw/zinc/02/69/11/1055026911.db2.gz GPPRQHWJGUSBFR-AWEZNQCLSA-N 2 2 320.527 4.296 20 0 DIADLP Cc1csc2sc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c(C)c12 ZINC001236239347 1055026917 /nfs/dbraw/zinc/02/69/17/1055026917.db2.gz GPPRQHWJGUSBFR-AWEZNQCLSA-N 2 2 320.527 4.296 20 0 DIADLP Cc1c(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccc2[nH+]ccn21 ZINC001236258198 1055040354 /nfs/dbraw/zinc/04/03/54/1055040354.db2.gz KKXCAIWFBHCIQW-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP CCC[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@H]1CC[NH2+]C1 ZINC001236324794 1055057066 /nfs/dbraw/zinc/05/70/66/1055057066.db2.gz ZUMQCNSPAKXHJR-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP CCC[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@H]1CC[NH2+]C1 ZINC001236324794 1055057081 /nfs/dbraw/zinc/05/70/81/1055057081.db2.gz ZUMQCNSPAKXHJR-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP COC(C)(C)CCC[C@@H](C)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236521531 1055159550 /nfs/dbraw/zinc/15/95/50/1055159550.db2.gz DITQWXUMYMKGEM-GOSISDBHSA-N 2 2 320.521 4.069 20 0 DIADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236521531 1055159556 /nfs/dbraw/zinc/15/95/56/1055159556.db2.gz DITQWXUMYMKGEM-GOSISDBHSA-N 2 2 320.521 4.069 20 0 DIADLP CC[N@H+](Cc1cc(Cl)c(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001236660676 1055217288 /nfs/dbraw/zinc/21/72/88/1055217288.db2.gz BUQHRVVMTYFKJC-UHFFFAOYSA-N 2 2 319.251 4.049 20 0 DIADLP CC[N@@H+](Cc1cc(Cl)c(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001236660676 1055217300 /nfs/dbraw/zinc/21/73/00/1055217300.db2.gz BUQHRVVMTYFKJC-UHFFFAOYSA-N 2 2 319.251 4.049 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236662742 1055218118 /nfs/dbraw/zinc/21/81/18/1055218118.db2.gz SHAQPBDVHJMYNY-UHFFFAOYSA-N 2 2 319.251 4.049 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001236662742 1055218130 /nfs/dbraw/zinc/21/81/30/1055218130.db2.gz SHAQPBDVHJMYNY-UHFFFAOYSA-N 2 2 319.251 4.049 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000764615808 1055224736 /nfs/dbraw/zinc/22/47/36/1055224736.db2.gz IPBNGKHEAJEWBI-INIZCTEOSA-N 2 2 304.478 4.283 20 0 DIADLP c1cc2c(cccc2C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)s1 ZINC001236680919 1055228856 /nfs/dbraw/zinc/22/88/56/1055228856.db2.gz AGXAZQDTYAVCDN-UHFFFAOYSA-N 2 2 324.449 4.340 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc3ccoc32)C2CCCC2)CC1 ZINC001236743998 1055248746 /nfs/dbraw/zinc/24/87/46/1055248746.db2.gz VUGMYGACFCGWQH-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc3ccoc32)C2CCCC2)CC1 ZINC001236743998 1055248760 /nfs/dbraw/zinc/24/87/60/1055248760.db2.gz VUGMYGACFCGWQH-UHFFFAOYSA-N 2 2 312.457 4.272 20 0 DIADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001236865591 1055295610 /nfs/dbraw/zinc/29/56/10/1055295610.db2.gz KNWHZFLSPLLQOO-IBGZPJMESA-N 2 2 319.452 4.071 20 0 DIADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001236865591 1055295619 /nfs/dbraw/zinc/29/56/19/1055295619.db2.gz KNWHZFLSPLLQOO-IBGZPJMESA-N 2 2 319.452 4.071 20 0 DIADLP C[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901865 1055308031 /nfs/dbraw/zinc/30/80/31/1055308031.db2.gz BKRGWYPEXGFGRI-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901865 1055308043 /nfs/dbraw/zinc/30/80/43/1055308043.db2.gz BKRGWYPEXGFGRI-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913850 1055312495 /nfs/dbraw/zinc/31/24/95/1055312495.db2.gz PUADTNWTGZNPNU-KRWDZBQOSA-N 2 2 321.827 4.240 20 0 DIADLP C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913850 1055312510 /nfs/dbraw/zinc/31/25/10/1055312510.db2.gz PUADTNWTGZNPNU-KRWDZBQOSA-N 2 2 321.827 4.240 20 0 DIADLP CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236912440 1055313195 /nfs/dbraw/zinc/31/31/95/1055313195.db2.gz TXZBRSGLTWXTKN-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236912440 1055313214 /nfs/dbraw/zinc/31/32/14/1055313214.db2.gz TXZBRSGLTWXTKN-CQSZACIVSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H](C)C1 ZINC001236913485 1055313338 /nfs/dbraw/zinc/31/33/38/1055313338.db2.gz GNHIUHNRWHDCTP-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H](C)C1 ZINC001236913485 1055313355 /nfs/dbraw/zinc/31/33/55/1055313355.db2.gz GNHIUHNRWHDCTP-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914874 1055315384 /nfs/dbraw/zinc/31/53/84/1055315384.db2.gz WDHCHRSQZFJXAJ-OAHLLOKOSA-N 2 2 303.837 4.290 20 0 DIADLP CC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914874 1055315402 /nfs/dbraw/zinc/31/54/02/1055315402.db2.gz WDHCHRSQZFJXAJ-OAHLLOKOSA-N 2 2 303.837 4.290 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H](C)C1 ZINC001236917223 1055315931 /nfs/dbraw/zinc/31/59/31/1055315931.db2.gz SBDCOYUDIKSNPV-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H](C)C1 ZINC001236917223 1055315948 /nfs/dbraw/zinc/31/59/48/1055315948.db2.gz SBDCOYUDIKSNPV-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H](C)C1 ZINC001236917234 1055316080 /nfs/dbraw/zinc/31/60/80/1055316080.db2.gz SBDCOYUDIKSNPV-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H](C)C1 ZINC001236917234 1055316094 /nfs/dbraw/zinc/31/60/94/1055316094.db2.gz SBDCOYUDIKSNPV-ZIAGYGMSSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CC1 ZINC001236921648 1055317033 /nfs/dbraw/zinc/31/70/33/1055317033.db2.gz LNNPINDZBTYKCS-UHFFFAOYSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CC1 ZINC001236921648 1055317053 /nfs/dbraw/zinc/31/70/53/1055317053.db2.gz LNNPINDZBTYKCS-UHFFFAOYSA-N 2 2 303.837 4.146 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001236915063 1055317610 /nfs/dbraw/zinc/31/76/10/1055317610.db2.gz BDBKFMRCALFJSH-LSDHHAIUSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001236915063 1055317622 /nfs/dbraw/zinc/31/76/22/1055317622.db2.gz BDBKFMRCALFJSH-LSDHHAIUSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001236922062 1055317950 /nfs/dbraw/zinc/31/79/50/1055317950.db2.gz MOFIXZXOLLNCFX-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC001236922062 1055317962 /nfs/dbraw/zinc/31/79/62/1055317962.db2.gz MOFIXZXOLLNCFX-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C[C@@H]1CC1(C)C ZINC001236915891 1055318865 /nfs/dbraw/zinc/31/88/65/1055318865.db2.gz GOGHQDLOQUTSCG-AWEZNQCLSA-N 2 2 303.837 4.004 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C[C@@H]1CC1(C)C ZINC001236915891 1055318879 /nfs/dbraw/zinc/31/88/79/1055318879.db2.gz GOGHQDLOQUTSCG-AWEZNQCLSA-N 2 2 303.837 4.004 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000765252915 1055345010 /nfs/dbraw/zinc/34/50/10/1055345010.db2.gz TUNQUDKXJUSMNB-IAGOWNOFSA-N 2 2 317.864 4.228 20 0 DIADLP CCC(CC)C[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001620840648 1055455807 /nfs/dbraw/zinc/45/58/07/1055455807.db2.gz NTLVLJWKKORNIJ-UHFFFAOYSA-N 2 2 317.521 4.313 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cccc3c(F)cccc23)CC1 ZINC001237514022 1055465387 /nfs/dbraw/zinc/46/53/87/1055465387.db2.gz CUQUDALCKVXIKL-UHFFFAOYSA-N 2 2 314.448 4.285 20 0 DIADLP C[C@@H]([NH2+]C/C=C\c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890404 1055515127 /nfs/dbraw/zinc/51/51/27/1055515127.db2.gz LSFMZBXTQBVLNS-OICCZTGUSA-N 2 2 321.399 4.375 20 0 DIADLP C[C@H]([NH2+]Cc1cccc2ccoc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890452 1055515491 /nfs/dbraw/zinc/51/54/91/1055515491.db2.gz NRRAIGMLHRIVIT-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(C)c1Cl ZINC001238092927 1055605786 /nfs/dbraw/zinc/60/57/86/1055605786.db2.gz NPWWZNDGNSFESZ-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(C)c1Cl ZINC001238092927 1055605794 /nfs/dbraw/zinc/60/57/94/1055605794.db2.gz NPWWZNDGNSFESZ-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP Cc1c(Cl)ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001238225548 1055624858 /nfs/dbraw/zinc/62/48/58/1055624858.db2.gz ZHIJXEUWTJFRNM-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP Cc1c(Cl)ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001238225548 1055624850 /nfs/dbraw/zinc/62/48/50/1055624850.db2.gz ZHIJXEUWTJFRNM-UHFFFAOYSA-N 2 2 308.897 4.261 20 0 DIADLP CSc1cc(C)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001238690042 1055722471 /nfs/dbraw/zinc/72/24/71/1055722471.db2.gz OCNYTHQAIYQCDL-UHFFFAOYSA-N 2 2 306.519 4.022 20 0 DIADLP CSc1cc(C)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001238690042 1055722479 /nfs/dbraw/zinc/72/24/79/1055722479.db2.gz OCNYTHQAIYQCDL-UHFFFAOYSA-N 2 2 306.519 4.022 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472206 1055896931 /nfs/dbraw/zinc/89/69/31/1055896931.db2.gz XXEWPXYPSOOKKX-GOSISDBHSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472206 1055896934 /nfs/dbraw/zinc/89/69/34/1055896934.db2.gz XXEWPXYPSOOKKX-GOSISDBHSA-N 2 2 302.421 4.040 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001620784285 1055958596 /nfs/dbraw/zinc/95/85/96/1055958596.db2.gz BOCXJGHHXTUNAP-PMACEKPBSA-N 2 2 302.506 4.424 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001620784285 1055958602 /nfs/dbraw/zinc/95/86/02/1055958602.db2.gz BOCXJGHHXTUNAP-PMACEKPBSA-N 2 2 302.506 4.424 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001621003386 1055970516 /nfs/dbraw/zinc/97/05/16/1055970516.db2.gz HAIRFKMOWUIZMA-SFHVURJKSA-N 2 2 312.501 4.404 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001621003386 1055970522 /nfs/dbraw/zinc/97/05/22/1055970522.db2.gz HAIRFKMOWUIZMA-SFHVURJKSA-N 2 2 312.501 4.404 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001621004074 1055971243 /nfs/dbraw/zinc/97/12/43/1055971243.db2.gz HQBXEELRLYVDHP-LJQANCHMSA-N 2 2 308.469 4.316 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001621004074 1055971249 /nfs/dbraw/zinc/97/12/49/1055971249.db2.gz HQBXEELRLYVDHP-LJQANCHMSA-N 2 2 308.469 4.316 20 0 DIADLP c1cn(-c2ccc(C[N@@H+](Cc3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000073894818 1056049223 /nfs/dbraw/zinc/04/92/23/1056049223.db2.gz DVORHYHDNZGEJT-UHFFFAOYSA-N 2 2 303.409 4.037 20 0 DIADLP c1cn(-c2ccc(C[N@H+](Cc3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000073894818 1056049235 /nfs/dbraw/zinc/04/92/35/1056049235.db2.gz DVORHYHDNZGEJT-UHFFFAOYSA-N 2 2 303.409 4.037 20 0 DIADLP c1cn(Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001240059328 1056293569 /nfs/dbraw/zinc/29/35/69/1056293569.db2.gz RWCIHELDFVLAGP-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP Fc1cc(-c2ccc3[nH+]ccn3c2)ccc1C[NH+]1CCCCC1 ZINC001240221057 1056377737 /nfs/dbraw/zinc/37/77/37/1056377737.db2.gz FIMRVCPKYQEJER-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP CC(C)(C)[NH2+]Cc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001240367726 1056453211 /nfs/dbraw/zinc/45/32/11/1056453211.db2.gz CRQUBLBVFHJKTP-UHFFFAOYSA-N 2 2 309.457 4.237 20 0 DIADLP CC[NH+]1CCC(c2ccc(-c3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001240518042 1056549844 /nfs/dbraw/zinc/54/98/44/1056549844.db2.gz LYQBJNSCFJAXQM-UHFFFAOYSA-N 2 2 305.425 4.201 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c2ccccc12 ZINC001241006055 1056809137 /nfs/dbraw/zinc/80/91/37/1056809137.db2.gz CLAVYZJZXGCWQG-LJQANCHMSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c2ccccc12 ZINC001241006055 1056809149 /nfs/dbraw/zinc/80/91/49/1056809149.db2.gz CLAVYZJZXGCWQG-LJQANCHMSA-N 2 2 316.448 4.348 20 0 DIADLP CCCCOc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241020817 1056822124 /nfs/dbraw/zinc/82/21/24/1056822124.db2.gz ADUYIGZPINREKV-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241020817 1056822138 /nfs/dbraw/zinc/82/21/38/1056822138.db2.gz ADUYIGZPINREKV-IBGZPJMESA-N 2 2 324.468 4.066 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001617883749 1056896508 /nfs/dbraw/zinc/89/65/08/1056896508.db2.gz VTDSJDNZWXZADN-CEXWTWQISA-N 2 2 320.908 4.440 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001617883749 1056896515 /nfs/dbraw/zinc/89/65/15/1056896515.db2.gz VTDSJDNZWXZADN-CEXWTWQISA-N 2 2 320.908 4.440 20 0 DIADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc2[nH]c3cc[nH+]cc3c2c1 ZINC001241258076 1056984364 /nfs/dbraw/zinc/98/43/64/1056984364.db2.gz TXUOVVOGLZWJTQ-UHFFFAOYSA-N 2 2 302.381 4.153 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2Cc3cccc(Cl)c3C2)cc1 ZINC001168715172 1056984819 /nfs/dbraw/zinc/98/48/19/1056984819.db2.gz NNXTYLWTKUVELI-MRXNPFEDSA-N 2 2 323.827 4.002 20 0 DIADLP Cc1cc2[nH+]ccn2cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241388769 1057034380 /nfs/dbraw/zinc/03/43/80/1057034380.db2.gz PPOKKBXYWVCTGE-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP Cc1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)cc(C)[nH+]1 ZINC001241759742 1057159385 /nfs/dbraw/zinc/15/93/85/1057159385.db2.gz VEXOBIOZEZZDQC-UHFFFAOYSA-N 2 2 310.441 4.230 20 0 DIADLP C[C@H]([NH2+]Cc1cscc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766057390 1057193748 /nfs/dbraw/zinc/19/37/48/1057193748.db2.gz OYACUMLJILMSEC-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094326 1057263764 /nfs/dbraw/zinc/26/37/64/1057263764.db2.gz YHKCJNCUYVTADL-OXQOHEQNSA-N 2 2 323.484 4.272 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094326 1057263769 /nfs/dbraw/zinc/26/37/69/1057263769.db2.gz YHKCJNCUYVTADL-OXQOHEQNSA-N 2 2 323.484 4.272 20 0 DIADLP CCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000675817566 1057418572 /nfs/dbraw/zinc/41/85/72/1057418572.db2.gz VEMFXKUTNMJBKT-JXFKEZNVSA-N 2 2 320.440 4.459 20 0 DIADLP Cc1ccccc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918761 1057431028 /nfs/dbraw/zinc/43/10/28/1057431028.db2.gz GAROXIHFJAOHRI-FXAWDEMLSA-N 2 2 319.452 4.363 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918215 1057431119 /nfs/dbraw/zinc/43/11/19/1057431119.db2.gz FHNREIGHXUELOD-UXHICEINSA-N 2 2 319.452 4.445 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C(C)(C)C)s1)CCC2 ZINC000676240128 1057458151 /nfs/dbraw/zinc/45/81/51/1057458151.db2.gz ZLYKJNZTHZKCMN-AWEZNQCLSA-N 2 2 317.502 4.218 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2occc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000671706470 1057547230 /nfs/dbraw/zinc/54/72/30/1057547230.db2.gz BENFXWQIZARPHA-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP Cc1cn2cc(-c3ccc(C4CC[NH+](C)CC4)cc3)ccc2[nH+]1 ZINC001243654900 1057744737 /nfs/dbraw/zinc/74/47/37/1057744737.db2.gz MTZGYEJQPHJAOK-UHFFFAOYSA-N 2 2 305.425 4.119 20 0 DIADLP c1c[nH+]c(-c2ccc(-c3ccc([C@@H]4CCC[NH2+]C4)cc3)cc2)[nH]1 ZINC001243980346 1057828135 /nfs/dbraw/zinc/82/81/35/1057828135.db2.gz WUCXPUWPKLHGLI-LJQANCHMSA-N 2 2 303.409 4.211 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244129397 1057880077 /nfs/dbraw/zinc/88/00/77/1057880077.db2.gz QPXFSLTVDPWVIC-IBGZPJMESA-N 2 2 324.443 4.212 20 0 DIADLP Cc1cc(C2CC2)cc(F)c1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244129397 1057880081 /nfs/dbraw/zinc/88/00/81/1057880081.db2.gz QPXFSLTVDPWVIC-IBGZPJMESA-N 2 2 324.443 4.212 20 0 DIADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1C(C)C ZINC001244134308 1057882878 /nfs/dbraw/zinc/88/28/78/1057882878.db2.gz PCDRSIGNLFIXFB-SFHVURJKSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1C(C)C ZINC001244134308 1057882881 /nfs/dbraw/zinc/88/28/81/1057882881.db2.gz PCDRSIGNLFIXFB-SFHVURJKSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C(C)C ZINC001244134307 1057882910 /nfs/dbraw/zinc/88/29/10/1057882910.db2.gz PCDRSIGNLFIXFB-GOSISDBHSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1C(C)C ZINC001244134307 1057882912 /nfs/dbraw/zinc/88/29/12/1057882912.db2.gz PCDRSIGNLFIXFB-GOSISDBHSA-N 2 2 324.468 4.019 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(-c2cccc(C[NH2+]C)c2F)c1 ZINC001244864430 1058059970 /nfs/dbraw/zinc/05/99/70/1058059970.db2.gz MFXPTMVUHFAWMQ-UHFFFAOYSA-N 2 2 300.421 4.367 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C4CCC4)cc3)cc2)C1 ZINC001244944477 1058077851 /nfs/dbraw/zinc/07/78/51/1058077851.db2.gz PIJFYPYFINZLKC-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C4CCC4)cc3)cc2)C1 ZINC001244944477 1058077854 /nfs/dbraw/zinc/07/78/54/1058077854.db2.gz PIJFYPYFINZLKC-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)cc2)C1 ZINC001245097338 1058111974 /nfs/dbraw/zinc/11/19/74/1058111974.db2.gz FGQXIYNDRCQFCX-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3Cl)cc2)C1 ZINC001245097338 1058111976 /nfs/dbraw/zinc/11/19/76/1058111976.db2.gz FGQXIYNDRCQFCX-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP C[NH+](C)CCCOc1ccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001245339815 1058146778 /nfs/dbraw/zinc/14/67/78/1058146778.db2.gz ROILVPKDUPZYBQ-UHFFFAOYSA-N 2 2 321.424 4.074 20 0 DIADLP c1cc(-c2ccc(C3CC[NH2+]CC3)cc2)cc(N2CCCCC2)[nH+]1 ZINC001245524674 1058200282 /nfs/dbraw/zinc/20/02/82/1058200282.db2.gz TYQXUAUUFCMLLO-UHFFFAOYSA-N 2 2 321.468 4.206 20 0 DIADLP Cc1c(C)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1Cl ZINC001245690487 1058356325 /nfs/dbraw/zinc/35/63/25/1058356325.db2.gz SBNPPOWDJZUDHL-INIZCTEOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1Cl ZINC001245690487 1058356345 /nfs/dbraw/zinc/35/63/45/1058356345.db2.gz SBNPPOWDJZUDHL-INIZCTEOSA-N 2 2 314.860 4.157 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246074774 1058667627 /nfs/dbraw/zinc/66/76/27/1058667627.db2.gz QKWRDGRLCVYUNF-ITGUQSILSA-N 2 2 315.288 4.392 20 0 DIADLP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246078083 1058667922 /nfs/dbraw/zinc/66/79/22/1058667922.db2.gz GDAXGKCPDZSQLE-MSOLQXFVSA-N 2 2 318.823 4.062 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246146095 1058695960 /nfs/dbraw/zinc/69/59/60/1058695960.db2.gz YCPPXRHAHASZDP-HBMCJLEFSA-N 2 2 308.469 4.091 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246143282 1058696458 /nfs/dbraw/zinc/69/64/58/1058696458.db2.gz PUJWULSGJWWAPE-VSKRKVRLSA-N 2 2 322.496 4.481 20 0 DIADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246160114 1058700950 /nfs/dbraw/zinc/70/09/50/1058700950.db2.gz SFIWPSFTCQAWQK-ZDUSSCGKSA-N 2 2 310.844 4.024 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2c(Cl)ccc(C)c2F)C[C@H](CC)[NH2+]1 ZINC001246157891 1058702873 /nfs/dbraw/zinc/70/28/73/1058702873.db2.gz CPPFUBNSTQIZGO-WDNDVIMCSA-N 2 2 312.860 4.186 20 0 DIADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246161037 1058705398 /nfs/dbraw/zinc/70/53/98/1058705398.db2.gz QNHVXMZEEMJPMD-OAHLLOKOSA-N 2 2 310.844 4.024 20 0 DIADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)c(Cl)c1 ZINC001246175461 1058718050 /nfs/dbraw/zinc/71/80/50/1058718050.db2.gz ZJQBCTBLUWPGSV-OAHLLOKOSA-N 2 2 310.844 4.024 20 0 DIADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)c(Cl)c1 ZINC001246175460 1058719373 /nfs/dbraw/zinc/71/93/73/1058719373.db2.gz ZJQBCTBLUWPGSV-HNNXBMFYSA-N 2 2 310.844 4.024 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246209196 1058744195 /nfs/dbraw/zinc/74/41/95/1058744195.db2.gz GALACUAQQRDASZ-LSDHHAIUSA-N 2 2 306.881 4.230 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246251942 1058771935 /nfs/dbraw/zinc/77/19/35/1058771935.db2.gz GNZJKVQKEYGWTJ-UTUOFQBUSA-N 2 2 301.261 4.175 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c1c(Cl)cccc1Cl ZINC001246255232 1058773412 /nfs/dbraw/zinc/77/34/12/1058773412.db2.gz UNZMIEOVUDHCQI-WRWGMCAJSA-N 2 2 301.261 4.173 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1Cl ZINC001246254031 1058773913 /nfs/dbraw/zinc/77/39/13/1058773913.db2.gz NVTCBRBTQPVHTO-NWDGAFQWSA-N 2 2 313.272 4.319 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001246279563 1058793654 /nfs/dbraw/zinc/79/36/54/1058793654.db2.gz MPEJOYLFEKHUFA-GUYCJALGSA-N 2 2 320.889 4.110 20 0 DIADLP CC[C@H]1C[C@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246322018 1058835673 /nfs/dbraw/zinc/83/56/73/1058835673.db2.gz GNZJKVQKEYGWTJ-GRYCIOLGSA-N 2 2 301.261 4.175 20 0 DIADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c2ccccc2)cc1 ZINC001246338907 1058848742 /nfs/dbraw/zinc/84/87/42/1058848742.db2.gz NFWYEJSSSIINCJ-WMQCIHAUSA-N 2 2 308.469 4.009 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1c(F)cccc1F ZINC001246470134 1058955980 /nfs/dbraw/zinc/95/59/80/1058955980.db2.gz VHVOCRIMHGRFCE-UHOFOFEASA-N 2 2 310.432 4.172 20 0 DIADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2CCCC3(CCCCC3)C2)c1 ZINC001246512442 1058978245 /nfs/dbraw/zinc/97/82/45/1058978245.db2.gz TZSJFULMISZWOD-IEBWSBKVSA-N 2 2 316.489 4.178 20 0 DIADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2CCCC3(CCCCC3)C2)c1 ZINC001246512447 1058978296 /nfs/dbraw/zinc/97/82/96/1058978296.db2.gz TZSJFULMISZWOD-PKOBYXMFSA-N 2 2 316.489 4.178 20 0 DIADLP CC(C)c1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001559109634 1058995270 /nfs/dbraw/zinc/99/52/70/1058995270.db2.gz ZIQXEKKQEQKQGK-AWEZNQCLSA-N 2 2 306.498 4.112 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246579081 1059011207 /nfs/dbraw/zinc/01/12/07/1059011207.db2.gz XWQFMQWQCPESKA-WDSOQIARSA-N 2 2 322.443 4.141 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246579081 1059011228 /nfs/dbraw/zinc/01/12/28/1059011228.db2.gz XWQFMQWQCPESKA-WDSOQIARSA-N 2 2 322.443 4.141 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793677 1059096264 /nfs/dbraw/zinc/09/62/64/1059096264.db2.gz WHJFBFOEQDZRAO-GPMSIDNRSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793677 1059096285 /nfs/dbraw/zinc/09/62/85/1059096285.db2.gz WHJFBFOEQDZRAO-GPMSIDNRSA-N 2 2 322.443 4.413 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCC[C@H]4CCCC[C@H]43)CC[NH2+]2)cc1 ZINC001246834909 1059113629 /nfs/dbraw/zinc/11/36/29/1059113629.db2.gz KAXVHUJDJSWZTK-XRXFAXGQSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCC[C@H]4CCCC[C@H]43)CC[NH2+]2)cc1 ZINC001246834909 1059113634 /nfs/dbraw/zinc/11/36/34/1059113634.db2.gz KAXVHUJDJSWZTK-XRXFAXGQSA-N 2 2 312.501 4.004 20 0 DIADLP CC1(C)CCC[C@H]([N@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001246834846 1059115499 /nfs/dbraw/zinc/11/54/99/1059115499.db2.gz QNHZWSSOLQPJNM-IPMKNSEASA-N 2 2 318.480 4.157 20 0 DIADLP CC1(C)CCC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001246834846 1059115504 /nfs/dbraw/zinc/11/55/04/1059115504.db2.gz QNHZWSSOLQPJNM-IPMKNSEASA-N 2 2 318.480 4.157 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836273 1059116002 /nfs/dbraw/zinc/11/60/02/1059116002.db2.gz OCNSIMFLALGRFK-MSOLQXFVSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836273 1059116007 /nfs/dbraw/zinc/11/60/07/1059116007.db2.gz OCNSIMFLALGRFK-MSOLQXFVSA-N 2 2 306.881 4.009 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[NH2+]1 ZINC001246848802 1059127019 /nfs/dbraw/zinc/12/70/19/1059127019.db2.gz OHYOCDHLNVRCLC-CTNGQTDRSA-N 2 2 324.443 4.027 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869967 1059140375 /nfs/dbraw/zinc/14/03/75/1059140375.db2.gz IYDNJLOQPPFZID-HZPDHXFCSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869967 1059140385 /nfs/dbraw/zinc/14/03/85/1059140385.db2.gz IYDNJLOQPPFZID-HZPDHXFCSA-N 2 2 306.881 4.009 20 0 DIADLP C[C@@H]1CC[C@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879349 1059145709 /nfs/dbraw/zinc/14/57/09/1059145709.db2.gz MDKLBBJEQOJCSO-HKHXBQBMSA-N 2 2 318.464 4.003 20 0 DIADLP C[C@@H]1CC[C@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)C[NH2+]1 ZINC001246879349 1059145717 /nfs/dbraw/zinc/14/57/17/1059145717.db2.gz MDKLBBJEQOJCSO-HKHXBQBMSA-N 2 2 318.464 4.003 20 0 DIADLP CCCC[C@H]1C[C@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905776 1059167552 /nfs/dbraw/zinc/16/75/52/1059167552.db2.gz BNBZQEIRKRVETJ-JKSUJKDBSA-N 2 2 310.432 4.098 20 0 DIADLP CCCC[C@H]1C[C@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905776 1059167556 /nfs/dbraw/zinc/16/75/56/1059167556.db2.gz BNBZQEIRKRVETJ-JKSUJKDBSA-N 2 2 310.432 4.098 20 0 DIADLP CC[C@H]1C[C@@H]([N@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911113 1059172485 /nfs/dbraw/zinc/17/24/85/1059172485.db2.gz NKQNTJJGENFMNR-GJZGRUSLSA-N 2 2 315.288 4.346 20 0 DIADLP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246911113 1059172491 /nfs/dbraw/zinc/17/24/91/1059172491.db2.gz NKQNTJJGENFMNR-GJZGRUSLSA-N 2 2 315.288 4.346 20 0 DIADLP CCCCCC[C@H](CC)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246960226 1059203298 /nfs/dbraw/zinc/20/32/98/1059203298.db2.gz GKYDSEQKWUZCAB-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@H](CC)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246960226 1059203318 /nfs/dbraw/zinc/20/33/18/1059203318.db2.gz GKYDSEQKWUZCAB-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@H](CCC)[NH+]1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC001246962367 1059204703 /nfs/dbraw/zinc/20/47/03/1059204703.db2.gz DNJKPMKKNZJFTK-IBGZPJMESA-N 3 2 323.569 4.013 20 0 DIADLP CC(C)CC[C@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960802 1059208905 /nfs/dbraw/zinc/20/89/05/1059208905.db2.gz CGIMPXWIPITMGA-HNNXBMFYSA-N 2 2 324.459 4.344 20 0 DIADLP CC(C)CC[C@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246960802 1059208923 /nfs/dbraw/zinc/20/89/23/1059208923.db2.gz CGIMPXWIPITMGA-HNNXBMFYSA-N 2 2 324.459 4.344 20 0 DIADLP FC(F)(F)C1CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974399 1059218883 /nfs/dbraw/zinc/21/88/83/1059218883.db2.gz ADGNFSBKVKIQDF-AVVWSFFYSA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)C1CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974399 1059218899 /nfs/dbraw/zinc/21/88/99/1059218899.db2.gz ADGNFSBKVKIQDF-AVVWSFFYSA-N 2 2 318.427 4.104 20 0 DIADLP C[C@@H]1CC[C@H]([NH+]2CCC(c3csc4ccccc34)CC2)C[NH2+]1 ZINC001246978934 1059223912 /nfs/dbraw/zinc/22/39/12/1059223912.db2.gz KPMIHNUVRHFKJX-ZBFHGGJFSA-N 2 2 314.498 4.221 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001559567416 1059391053 /nfs/dbraw/zinc/39/10/53/1059391053.db2.gz CHKZGEOKDFTCNW-ZIAGYGMSSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001559567416 1059391076 /nfs/dbraw/zinc/39/10/76/1059391076.db2.gz CHKZGEOKDFTCNW-ZIAGYGMSSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001559567416 1059391094 /nfs/dbraw/zinc/39/10/94/1059391094.db2.gz CHKZGEOKDFTCNW-ZIAGYGMSSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001559567416 1059391116 /nfs/dbraw/zinc/39/11/16/1059391116.db2.gz CHKZGEOKDFTCNW-ZIAGYGMSSA-N 2 2 312.860 4.346 20 0 DIADLP Cc1ccc([C@H](CC(F)(F)F)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001559724268 1059556318 /nfs/dbraw/zinc/55/63/18/1059556318.db2.gz SZZSBJSDQAAYHA-HOTGVXAUSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccc([C@H](CC(F)(F)F)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001559724268 1059556333 /nfs/dbraw/zinc/55/63/33/1059556333.db2.gz SZZSBJSDQAAYHA-HOTGVXAUSA-N 2 2 314.395 4.062 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044091 1059858138 /nfs/dbraw/zinc/85/81/38/1059858138.db2.gz UIOMFSDWRORESG-KURKYZTESA-N 2 2 306.881 4.065 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044091 1059858160 /nfs/dbraw/zinc/85/81/60/1059858160.db2.gz UIOMFSDWRORESG-KURKYZTESA-N 2 2 306.881 4.065 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560044091 1059858186 /nfs/dbraw/zinc/85/81/86/1059858186.db2.gz UIOMFSDWRORESG-KURKYZTESA-N 2 2 306.881 4.065 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560044091 1059858215 /nfs/dbraw/zinc/85/82/15/1059858215.db2.gz UIOMFSDWRORESG-KURKYZTESA-N 2 2 306.881 4.065 20 0 DIADLP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001560048539 1059862772 /nfs/dbraw/zinc/86/27/72/1059862772.db2.gz SEGCKWIYNLUIMT-QGZVFWFLSA-N 2 2 306.881 4.134 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](CCc2ccccc2Cl)CC1 ZINC001560050361 1059869945 /nfs/dbraw/zinc/86/99/45/1059869945.db2.gz WKEVWGWNAIOYJB-UHFFFAOYSA-N 2 2 320.908 4.223 20 0 DIADLP CC1(C)CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC001560091908 1059902753 /nfs/dbraw/zinc/90/27/53/1059902753.db2.gz DGYCGXLKRXYDES-RTBURBONSA-N 2 2 311.473 4.225 20 0 DIADLP C(=C\c1ccccc1)\C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001560249273 1060017355 /nfs/dbraw/zinc/01/73/55/1060017355.db2.gz YBSGEPAWLWHMHC-ZAGZISDZSA-N 2 2 306.453 4.127 20 0 DIADLP Fc1ccc2oc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cc2c1 ZINC001560291641 1060069385 /nfs/dbraw/zinc/06/93/85/1060069385.db2.gz AGLWTTNLCAUCJE-UHFFFAOYSA-N 2 2 321.355 4.047 20 0 DIADLP C[C@@H](C[NH2+]C1CCC(C2CCCCC2)CC1)Cn1cc[nH+]c1 ZINC001560313199 1060097469 /nfs/dbraw/zinc/09/74/69/1060097469.db2.gz LZKHHAVDPCHEDJ-IVMQYODDSA-N 2 2 303.494 4.248 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC001560328914 1060113974 /nfs/dbraw/zinc/11/39/74/1060113974.db2.gz NFWHFZRGTUIVFD-KRWDZBQOSA-N 2 2 322.496 4.394 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC001560328915 1060114110 /nfs/dbraw/zinc/11/41/10/1060114110.db2.gz NFWHFZRGTUIVFD-QGZVFWFLSA-N 2 2 322.496 4.394 20 0 DIADLP CC(C)(C)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346479 1060133156 /nfs/dbraw/zinc/13/31/56/1060133156.db2.gz YEZZJRKPQURMFK-SFHVURJKSA-N 2 2 302.506 4.455 20 0 DIADLP CC(C)(C)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346479 1060133173 /nfs/dbraw/zinc/13/31/73/1060133173.db2.gz YEZZJRKPQURMFK-SFHVURJKSA-N 2 2 302.506 4.455 20 0 DIADLP CSc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001560368137 1060154825 /nfs/dbraw/zinc/15/48/25/1060154825.db2.gz GMQQVNLUDSLGTI-HNNXBMFYSA-N 2 2 318.486 4.002 20 0 DIADLP CSc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001560368137 1060154836 /nfs/dbraw/zinc/15/48/36/1060154836.db2.gz GMQQVNLUDSLGTI-HNNXBMFYSA-N 2 2 318.486 4.002 20 0 DIADLP CCc1ccccc1C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001560451866 1060243082 /nfs/dbraw/zinc/24/30/82/1060243082.db2.gz DYDRPKZHEDLEMK-UHFFFAOYSA-N 2 2 314.517 4.385 20 0 DIADLP CCSc1ccccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001249440304 1060253749 /nfs/dbraw/zinc/25/37/49/1060253749.db2.gz GVOKOPCLEVDAQX-UHFFFAOYSA-N 2 2 306.519 4.103 20 0 DIADLP CCSc1ccccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001249440304 1060253764 /nfs/dbraw/zinc/25/37/64/1060253764.db2.gz GVOKOPCLEVDAQX-UHFFFAOYSA-N 2 2 306.519 4.103 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001560535122 1060340279 /nfs/dbraw/zinc/34/02/79/1060340279.db2.gz HTJVLMNGOLBDHX-FQEVSTJZSA-N 2 2 314.517 4.481 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001560535122 1060340305 /nfs/dbraw/zinc/34/03/05/1060340305.db2.gz HTJVLMNGOLBDHX-FQEVSTJZSA-N 2 2 314.517 4.481 20 0 DIADLP CC(C)c1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001560535269 1060340814 /nfs/dbraw/zinc/34/08/14/1060340814.db2.gz MZOMRFUCJRVZDE-HXUWFJFHSA-N 2 2 300.490 4.307 20 0 DIADLP CC(C)c1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001560535269 1060340836 /nfs/dbraw/zinc/34/08/36/1060340836.db2.gz MZOMRFUCJRVZDE-HXUWFJFHSA-N 2 2 300.490 4.307 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CCC12CCCC2 ZINC001560784365 1060644187 /nfs/dbraw/zinc/64/41/87/1060644187.db2.gz MULKITPKMANTAA-SFHVURJKSA-N 2 2 304.522 4.345 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560789717 1060649925 /nfs/dbraw/zinc/64/99/25/1060649925.db2.gz GDAKQGGVYYIZAU-SFHVURJKSA-N 2 2 316.533 4.454 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560789717 1060649930 /nfs/dbraw/zinc/64/99/30/1060649930.db2.gz GDAKQGGVYYIZAU-SFHVURJKSA-N 2 2 316.533 4.454 20 0 DIADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001560805413 1060665452 /nfs/dbraw/zinc/66/54/52/1060665452.db2.gz FNSTUBCSJMOIPC-RTBURBONSA-N 2 2 302.506 4.026 20 0 DIADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001560805413 1060665462 /nfs/dbraw/zinc/66/54/62/1060665462.db2.gz FNSTUBCSJMOIPC-RTBURBONSA-N 2 2 302.506 4.026 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H]1C ZINC001560851750 1060711448 /nfs/dbraw/zinc/71/14/48/1060711448.db2.gz CBEUCLANEDMOSJ-JKIFEVAISA-N 2 2 317.864 4.440 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H]1C ZINC001560851751 1060711478 /nfs/dbraw/zinc/71/14/78/1060711478.db2.gz CBEUCLANEDMOSJ-KEYYUXOJSA-N 2 2 317.864 4.440 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+](Cc2ccccc2)C1 ZINC001560855837 1060715555 /nfs/dbraw/zinc/71/55/55/1060715555.db2.gz DNHARTJRQODMOY-CMTQZCSUSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC001560855837 1060715565 /nfs/dbraw/zinc/71/55/65/1060715565.db2.gz DNHARTJRQODMOY-CMTQZCSUSA-N 2 2 314.517 4.311 20 0 DIADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001560929606 1060792661 /nfs/dbraw/zinc/79/26/61/1060792661.db2.gz DTKOBAUPHTUWJN-RTBURBONSA-N 2 2 302.506 4.026 20 0 DIADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC001560934657 1060797331 /nfs/dbraw/zinc/79/73/31/1060797331.db2.gz WJXYXGMVKFDYFA-NLPFYKDJSA-N 2 2 316.464 4.068 20 0 DIADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC001560934657 1060797340 /nfs/dbraw/zinc/79/73/40/1060797340.db2.gz WJXYXGMVKFDYFA-NLPFYKDJSA-N 2 2 316.464 4.068 20 0 DIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1F ZINC001560947855 1060814915 /nfs/dbraw/zinc/81/49/15/1060814915.db2.gz JPNFOKKRKVBISO-PTNUPGPXSA-N 2 2 322.443 4.030 20 0 DIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1F ZINC001560947855 1060814936 /nfs/dbraw/zinc/81/49/36/1060814936.db2.gz JPNFOKKRKVBISO-PTNUPGPXSA-N 2 2 322.443 4.030 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC001560966268 1060829356 /nfs/dbraw/zinc/82/93/56/1060829356.db2.gz SMUVJCPCFZVNTN-CGTJXYLNSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC001560966268 1060829364 /nfs/dbraw/zinc/82/93/64/1060829364.db2.gz SMUVJCPCFZVNTN-CGTJXYLNSA-N 2 2 322.443 4.065 20 0 DIADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC001560965840 1060829540 /nfs/dbraw/zinc/82/95/40/1060829540.db2.gz CKJIIEHKQICMSV-PWRODBHTSA-N 2 2 312.501 4.209 20 0 DIADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC001560965840 1060829561 /nfs/dbraw/zinc/82/95/61/1060829561.db2.gz CKJIIEHKQICMSV-PWRODBHTSA-N 2 2 312.501 4.209 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001560970046 1060835248 /nfs/dbraw/zinc/83/52/48/1060835248.db2.gz ILVHWOJDLLIQBP-XLIONFOSSA-N 2 2 300.490 4.067 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001560970046 1060835260 /nfs/dbraw/zinc/83/52/60/1060835260.db2.gz ILVHWOJDLLIQBP-XLIONFOSSA-N 2 2 300.490 4.067 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001560985771 1060849226 /nfs/dbraw/zinc/84/92/26/1060849226.db2.gz LCDMXFKZCRHXEM-VQIMIIECSA-N 2 2 315.505 4.208 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001560985771 1060849237 /nfs/dbraw/zinc/84/92/37/1060849237.db2.gz LCDMXFKZCRHXEM-VQIMIIECSA-N 2 2 315.505 4.208 20 0 DIADLP CC(C)[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC001561011334 1060867599 /nfs/dbraw/zinc/86/75/99/1060867599.db2.gz HPGNDFSPJRSIIO-HXUWFJFHSA-N 2 2 323.484 4.398 20 0 DIADLP CC(C)[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC001561011333 1060868568 /nfs/dbraw/zinc/86/85/68/1060868568.db2.gz HPGNDFSPJRSIIO-FQEVSTJZSA-N 2 2 323.484 4.398 20 0 DIADLP CC(C)C1CCC(C[N@H+](C)CCC[NH+](C)Cc2ccco2)CC1 ZINC001462216416 1061032730 /nfs/dbraw/zinc/03/27/30/1061032730.db2.gz HGKFNMCFGVYLBX-UHFFFAOYSA-N 2 2 320.521 4.496 20 0 DIADLP CC(C)C1CCC(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)CC1 ZINC001462216416 1061032747 /nfs/dbraw/zinc/03/27/47/1061032747.db2.gz HGKFNMCFGVYLBX-UHFFFAOYSA-N 2 2 320.521 4.496 20 0 DIADLP CC(C)C1CCC(C[NH+](C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC001462216416 1061032765 /nfs/dbraw/zinc/03/27/65/1061032765.db2.gz HGKFNMCFGVYLBX-UHFFFAOYSA-N 2 2 320.521 4.496 20 0 DIADLP CC(C)C1CCC(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC001462216416 1061032781 /nfs/dbraw/zinc/03/27/81/1061032781.db2.gz HGKFNMCFGVYLBX-UHFFFAOYSA-N 2 2 320.521 4.496 20 0 DIADLP CC[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)c1ccccc1 ZINC001473314795 1061078820 /nfs/dbraw/zinc/07/88/20/1061078820.db2.gz OGCFUNMQHCKNAL-WSTZPKSXSA-N 2 2 316.533 4.310 20 0 DIADLP CC[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)c1ccccc1 ZINC001473314795 1061078835 /nfs/dbraw/zinc/07/88/35/1061078835.db2.gz OGCFUNMQHCKNAL-WSTZPKSXSA-N 2 2 316.533 4.310 20 0 DIADLP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2F)CC1 ZINC001462319927 1061104286 /nfs/dbraw/zinc/10/42/86/1061104286.db2.gz SVIZYEDXFNLUQD-UHFFFAOYSA-N 2 2 318.480 4.303 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462485226 1061202929 /nfs/dbraw/zinc/20/29/29/1061202929.db2.gz HURHGZXNCBLZFQ-FFGOWVMKSA-N 2 2 316.464 4.225 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462485226 1061202947 /nfs/dbraw/zinc/20/29/47/1061202947.db2.gz HURHGZXNCBLZFQ-FFGOWVMKSA-N 2 2 316.464 4.225 20 0 DIADLP CCC(C)(C)CC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462498319 1061212860 /nfs/dbraw/zinc/21/28/60/1061212860.db2.gz XMYXNXAVJQOARL-HKUYNNGSSA-N 2 2 302.506 4.455 20 0 DIADLP CCC(C)(C)CC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462498319 1061212878 /nfs/dbraw/zinc/21/28/78/1061212878.db2.gz XMYXNXAVJQOARL-HKUYNNGSSA-N 2 2 302.506 4.455 20 0 DIADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(F)c2ccccc21 ZINC001473519819 1061213757 /nfs/dbraw/zinc/21/37/57/1061213757.db2.gz SNRYPCFMDMNALP-HNNXBMFYSA-N 2 2 300.421 4.115 20 0 DIADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623531 1061304349 /nfs/dbraw/zinc/30/43/49/1061304349.db2.gz NJCYVCDNSITSMD-KDXIVRHGSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462623531 1061304363 /nfs/dbraw/zinc/30/43/63/1061304363.db2.gz NJCYVCDNSITSMD-KDXIVRHGSA-N 2 2 320.480 4.043 20 0 DIADLP CCc1cccc2cc(C[NH+]3CCC([NH2+]C4CCC4)CC3)oc21 ZINC001462646033 1061314328 /nfs/dbraw/zinc/31/43/28/1061314328.db2.gz LMRCTBRXXGRVGI-UHFFFAOYSA-N 2 2 312.457 4.102 20 0 DIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc(C3CCCC3)c2)CC1 ZINC001462674532 1061331680 /nfs/dbraw/zinc/33/16/80/1061331680.db2.gz ZRZDPTXOVNNJTQ-UHFFFAOYSA-N 2 2 323.484 4.457 20 0 DIADLP CCCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001473748400 1061390408 /nfs/dbraw/zinc/39/04/08/1061390408.db2.gz YGJLMPCDKOBSTO-OAQYLSRUSA-N 2 2 319.452 4.367 20 0 DIADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001473913128 1061460330 /nfs/dbraw/zinc/46/03/30/1061460330.db2.gz JDKMPFZBDNBETN-AQNXPRMDSA-N 2 2 318.505 4.007 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC001473924750 1061473214 /nfs/dbraw/zinc/47/32/14/1061473214.db2.gz ITEDXYZKIMNJIQ-OTMARIDSSA-N 2 2 308.897 4.309 20 0 DIADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001473932183 1061477532 /nfs/dbraw/zinc/47/75/32/1061477532.db2.gz ZMGZUZXZKYFBMW-QHGAOEGBSA-N 2 2 306.538 4.447 20 0 DIADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001473932183 1061477544 /nfs/dbraw/zinc/47/75/44/1061477544.db2.gz ZMGZUZXZKYFBMW-QHGAOEGBSA-N 2 2 306.538 4.447 20 0 DIADLP CC1(C)CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001473955662 1061496923 /nfs/dbraw/zinc/49/69/23/1061496923.db2.gz KTDJXNVNXCOHNC-HNNXBMFYSA-N 2 2 301.409 4.070 20 0 DIADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001474246721 1061810619 /nfs/dbraw/zinc/81/06/19/1061810619.db2.gz DKZJINKXVXHVTG-QWFCFKBJSA-N 2 2 311.473 4.430 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001254489233 1062131673 /nfs/dbraw/zinc/13/16/73/1062131673.db2.gz GYPWJDXGHZHTHU-MOPGFXCFSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001254489233 1062131687 /nfs/dbraw/zinc/13/16/87/1062131687.db2.gz GYPWJDXGHZHTHU-MOPGFXCFSA-N 2 2 300.490 4.004 20 0 DIADLP CCCC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1F ZINC001459420202 1062136915 /nfs/dbraw/zinc/13/69/15/1062136915.db2.gz QVPXSGVDGNCKPW-UHFFFAOYSA-N 2 2 306.469 4.304 20 0 DIADLP CCCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1F ZINC001459420202 1062136932 /nfs/dbraw/zinc/13/69/32/1062136932.db2.gz QVPXSGVDGNCKPW-UHFFFAOYSA-N 2 2 306.469 4.304 20 0 DIADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474466380 1062146610 /nfs/dbraw/zinc/14/66/10/1062146610.db2.gz FHLQJPFDFSXOQM-HLIPFELVSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474466380 1062146616 /nfs/dbraw/zinc/14/66/16/1062146616.db2.gz FHLQJPFDFSXOQM-HLIPFELVSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505936 1062149091 /nfs/dbraw/zinc/14/90/91/1062149091.db2.gz MBCFZCWOCIDNPV-NEPJUHHUSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1c(Cl)cccc1Cl ZINC001254505936 1062149111 /nfs/dbraw/zinc/14/91/11/1062149111.db2.gz MBCFZCWOCIDNPV-NEPJUHHUSA-N 2 2 301.261 4.128 20 0 DIADLP CC[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CC1(C)C ZINC001474472639 1062152385 /nfs/dbraw/zinc/15/23/85/1062152385.db2.gz BIPQACNGZUUABQ-QZTJIDSGSA-N 2 2 306.538 4.447 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001474496804 1062175684 /nfs/dbraw/zinc/17/56/84/1062175684.db2.gz PUYBTMNLEUQBNJ-MJGOQNOKSA-N 2 2 320.908 4.268 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001474496804 1062175695 /nfs/dbraw/zinc/17/56/95/1062175695.db2.gz PUYBTMNLEUQBNJ-MJGOQNOKSA-N 2 2 320.908 4.268 20 0 DIADLP CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839279 1062262382 /nfs/dbraw/zinc/26/23/82/1062262382.db2.gz PAXRCVZWHUXWHL-NRFANRHFSA-N 2 2 322.496 4.235 20 0 DIADLP CC[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254847565 1062264975 /nfs/dbraw/zinc/26/49/75/1062264975.db2.gz IBSDJIZAWGXSBP-GHTZIAJQSA-N 2 2 308.469 4.365 20 0 DIADLP Fc1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254848733 1062266705 /nfs/dbraw/zinc/26/67/05/1062266705.db2.gz VSNGBTQLVQBJRR-WOJBJXKFSA-N 2 2 316.464 4.131 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474625464 1062346704 /nfs/dbraw/zinc/34/67/04/1062346704.db2.gz BKKURSBBHBTBTC-FXAWDEMLSA-N 2 2 323.484 4.417 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474625464 1062346726 /nfs/dbraw/zinc/34/67/26/1062346726.db2.gz BKKURSBBHBTBTC-FXAWDEMLSA-N 2 2 323.484 4.417 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001474625466 1062348021 /nfs/dbraw/zinc/34/80/21/1062348021.db2.gz BKKURSBBHBTBTC-XLIONFOSSA-N 2 2 323.484 4.417 20 0 DIADLP CCc1ccc(C)[nH+]c1N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001474625466 1062348044 /nfs/dbraw/zinc/34/80/44/1062348044.db2.gz BKKURSBBHBTBTC-XLIONFOSSA-N 2 2 323.484 4.417 20 0 DIADLP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630584 1062353440 /nfs/dbraw/zinc/35/34/40/1062353440.db2.gz NQUJSMMHSHNOSB-NVXWUHKLSA-N 2 2 306.519 4.066 20 0 DIADLP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001474630584 1062353462 /nfs/dbraw/zinc/35/34/62/1062353462.db2.gz NQUJSMMHSHNOSB-NVXWUHKLSA-N 2 2 306.519 4.066 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(F)(F)CC1 ZINC001459768355 1062381366 /nfs/dbraw/zinc/38/13/66/1062381366.db2.gz IEQYLBCJOMXGDX-UHFFFAOYSA-N 2 2 324.459 4.312 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(F)(F)CC1 ZINC001459768355 1062381380 /nfs/dbraw/zinc/38/13/80/1062381380.db2.gz IEQYLBCJOMXGDX-UHFFFAOYSA-N 2 2 324.459 4.312 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658014 1062389825 /nfs/dbraw/zinc/38/98/25/1062389825.db2.gz BJGAIOMKQYQVAP-CEWLAPEOSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658014 1062389845 /nfs/dbraw/zinc/38/98/45/1062389845.db2.gz BJGAIOMKQYQVAP-CEWLAPEOSA-N 2 2 312.501 4.004 20 0 DIADLP CC(C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001474733656 1062453325 /nfs/dbraw/zinc/45/33/25/1062453325.db2.gz LSCDWCBGZNFBEW-FCHUYYIVSA-N 2 2 322.496 4.290 20 0 DIADLP CC(C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001474733656 1062453328 /nfs/dbraw/zinc/45/33/28/1062453328.db2.gz LSCDWCBGZNFBEW-FCHUYYIVSA-N 2 2 322.496 4.290 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001255698614 1062524296 /nfs/dbraw/zinc/52/42/96/1062524296.db2.gz BVWWAVYLDCISFI-GJZGRUSLSA-N 2 2 323.362 4.302 20 0 DIADLP Cc1ccc(SC[C@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001255773051 1062596627 /nfs/dbraw/zinc/59/66/27/1062596627.db2.gz SOQJLFWBHKNTJS-KRWDZBQOSA-N 2 2 320.546 4.280 20 0 DIADLP Cc1ccc(SC[C@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001255773051 1062596648 /nfs/dbraw/zinc/59/66/48/1062596648.db2.gz SOQJLFWBHKNTJS-KRWDZBQOSA-N 2 2 320.546 4.280 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC001255942072 1062664889 /nfs/dbraw/zinc/66/48/89/1062664889.db2.gz DCQRQKQPRGAQIG-GFCCVEGCSA-N 2 2 303.277 4.203 20 0 DIADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256075528 1062698022 /nfs/dbraw/zinc/69/80/22/1062698022.db2.gz NAEJNGGPHHVVRZ-UHFFFAOYSA-N 2 2 313.272 4.052 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256075528 1062698027 /nfs/dbraw/zinc/69/80/27/1062698027.db2.gz NAEJNGGPHHVVRZ-UHFFFAOYSA-N 2 2 313.272 4.052 20 0 DIADLP Clc1cccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256081271 1062698722 /nfs/dbraw/zinc/69/87/22/1062698722.db2.gz WGGSWJWERSWHTP-SFHVURJKSA-N 2 2 304.865 4.104 20 0 DIADLP Clc1cccc([C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256081271 1062698730 /nfs/dbraw/zinc/69/87/30/1062698730.db2.gz WGGSWJWERSWHTP-SFHVURJKSA-N 2 2 304.865 4.104 20 0 DIADLP c1ccc([C@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)C2)cc1 ZINC001256109759 1062710715 /nfs/dbraw/zinc/71/07/15/1062710715.db2.gz PWJNUIQNCKZSRN-ACRUOGEOSA-N 2 2 312.501 4.177 20 0 DIADLP c1ccc([C@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC001256109759 1062710737 /nfs/dbraw/zinc/71/07/37/1062710737.db2.gz PWJNUIQNCKZSRN-ACRUOGEOSA-N 2 2 312.501 4.177 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001256526758 1062846461 /nfs/dbraw/zinc/84/64/61/1062846461.db2.gz OEADHOBJVWLWSX-WSTZPKSXSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001256526758 1062846485 /nfs/dbraw/zinc/84/64/85/1062846485.db2.gz OEADHOBJVWLWSX-WSTZPKSXSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548273 1062866389 /nfs/dbraw/zinc/86/63/89/1062866389.db2.gz ADZFWICJSITQMI-GCJKJVERSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2CC(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548273 1062866409 /nfs/dbraw/zinc/86/64/09/1062866409.db2.gz ADZFWICJSITQMI-GCJKJVERSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@H]1C[C@H]([NH+]2C3CCCC2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552277 1062872318 /nfs/dbraw/zinc/87/23/18/1062872318.db2.gz ATOPOZYITQVMKY-VWEINGBSSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@H]1C[C@H]([NH+]2C3CCCC2CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552277 1062872330 /nfs/dbraw/zinc/87/23/30/1062872330.db2.gz ATOPOZYITQVMKY-VWEINGBSSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555633 1062877786 /nfs/dbraw/zinc/87/77/86/1062877786.db2.gz VHJZCQZZNTWZRS-LPHOPBHVSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555633 1062877809 /nfs/dbraw/zinc/87/78/09/1062877809.db2.gz VHJZCQZZNTWZRS-LPHOPBHVSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555633 1062877830 /nfs/dbraw/zinc/87/78/30/1062877830.db2.gz VHJZCQZZNTWZRS-LPHOPBHVSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555633 1062877851 /nfs/dbraw/zinc/87/78/51/1062877851.db2.gz VHJZCQZZNTWZRS-LPHOPBHVSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555422 1062878757 /nfs/dbraw/zinc/87/87/57/1062878757.db2.gz UXDGKVKHBMNBIG-IIBYNOLFSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555422 1062878777 /nfs/dbraw/zinc/87/87/77/1062878777.db2.gz UXDGKVKHBMNBIG-IIBYNOLFSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555422 1062878799 /nfs/dbraw/zinc/87/87/99/1062878799.db2.gz UXDGKVKHBMNBIG-IIBYNOLFSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555422 1062878817 /nfs/dbraw/zinc/87/88/17/1062878817.db2.gz UXDGKVKHBMNBIG-IIBYNOLFSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](Cc2ccco2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552933 1062879837 /nfs/dbraw/zinc/87/98/37/1062879837.db2.gz DFYGWWSWWRBYNZ-XLIONFOSSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](Cc2ccco2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552933 1062879855 /nfs/dbraw/zinc/87/98/55/1062879855.db2.gz DFYGWWSWWRBYNZ-XLIONFOSSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552933 1062879879 /nfs/dbraw/zinc/87/98/79/1062879879.db2.gz DFYGWWSWWRBYNZ-XLIONFOSSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552933 1062879896 /nfs/dbraw/zinc/87/98/96/1062879896.db2.gz DFYGWWSWWRBYNZ-XLIONFOSSA-N 2 2 324.468 4.297 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1F ZINC001256563574 1062892010 /nfs/dbraw/zinc/89/20/10/1062892010.db2.gz CIIUFSSFUSMQFY-QGZVFWFLSA-N 2 2 310.432 4.268 20 0 DIADLP C[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613107 1062919105 /nfs/dbraw/zinc/91/91/05/1062919105.db2.gz WMRGFTRJFCTWQS-JOCHJYFZSA-N 2 2 320.480 4.270 20 0 DIADLP C[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613107 1062919116 /nfs/dbraw/zinc/91/91/16/1062919116.db2.gz WMRGFTRJFCTWQS-JOCHJYFZSA-N 2 2 320.480 4.270 20 0 DIADLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001257250008 1063155888 /nfs/dbraw/zinc/15/58/88/1063155888.db2.gz HGRADLWNRULHFZ-GOSISDBHSA-N 2 2 306.469 4.267 20 0 DIADLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001257249897 1063156587 /nfs/dbraw/zinc/15/65/87/1063156587.db2.gz DIBULBGKGFUPDR-QGZVFWFLSA-N 2 2 306.469 4.267 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1C ZINC001460997064 1063172275 /nfs/dbraw/zinc/17/22/75/1063172275.db2.gz XGDKKVCOKIEVPU-IBGZPJMESA-N 2 2 308.469 4.236 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1C ZINC001460997064 1063172289 /nfs/dbraw/zinc/17/22/89/1063172289.db2.gz XGDKKVCOKIEVPU-IBGZPJMESA-N 2 2 308.469 4.236 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001461062296 1063225585 /nfs/dbraw/zinc/22/55/85/1063225585.db2.gz OSCQELLDUXPFHP-NRFANRHFSA-N 2 2 322.496 4.446 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1 ZINC001461062296 1063225607 /nfs/dbraw/zinc/22/56/07/1063225607.db2.gz OSCQELLDUXPFHP-NRFANRHFSA-N 2 2 322.496 4.446 20 0 DIADLP CCCC[C@@H](CC)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257413165 1063262531 /nfs/dbraw/zinc/26/25/31/1063262531.db2.gz AYYPLLFGBVGUMQ-HUUCEWRRSA-N 2 2 313.283 4.007 20 0 DIADLP CCCCCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001257371877 1063238723 /nfs/dbraw/zinc/23/87/23/1063238723.db2.gz LLJIBBMUEDSMRW-QGZVFWFLSA-N 2 2 303.494 4.307 20 0 DIADLP CCC(C)(C)C1CCC(n2c(C)[nH+]c3c2CC[NH2+]CC3)CC1 ZINC001257408209 1063259005 /nfs/dbraw/zinc/25/90/05/1063259005.db2.gz PMUSXAXFDYXKQM-UHFFFAOYSA-N 2 2 303.494 4.047 20 0 DIADLP CCC[C@H](C)CC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001257469670 1063290456 /nfs/dbraw/zinc/29/04/56/1063290456.db2.gz YFRPKAHWBIEIBA-IRXDYDNUSA-N 2 2 303.494 4.245 20 0 DIADLP c1c2ccccc2sc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001461153117 1063297142 /nfs/dbraw/zinc/29/71/42/1063297142.db2.gz ZVSBXKSHLPJHDN-UHFFFAOYSA-N 2 2 311.454 4.278 20 0 DIADLP CCC[C@@H](C)CC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257486354 1063308941 /nfs/dbraw/zinc/30/89/41/1063308941.db2.gz VBRHVPMLIVFCCA-IAGOWNOFSA-N 2 2 303.494 4.245 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257486357 1063309960 /nfs/dbraw/zinc/30/99/60/1063309960.db2.gz VBRHVPMLIVFCCA-SJORKVTESA-N 2 2 303.494 4.245 20 0 DIADLP CCCCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257509532 1063318472 /nfs/dbraw/zinc/31/84/72/1063318472.db2.gz HFVJYJOVJRPXCS-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257509532 1063318495 /nfs/dbraw/zinc/31/84/95/1063318495.db2.gz HFVJYJOVJRPXCS-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257509532 1063318512 /nfs/dbraw/zinc/31/85/12/1063318512.db2.gz HFVJYJOVJRPXCS-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257509532 1063318542 /nfs/dbraw/zinc/31/85/42/1063318542.db2.gz HFVJYJOVJRPXCS-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511316 1063319678 /nfs/dbraw/zinc/31/96/78/1063319678.db2.gz CFTZLALYXXOQIQ-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511316 1063319701 /nfs/dbraw/zinc/31/97/01/1063319701.db2.gz CFTZLALYXXOQIQ-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257511316 1063319721 /nfs/dbraw/zinc/31/97/21/1063319721.db2.gz CFTZLALYXXOQIQ-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257511316 1063319741 /nfs/dbraw/zinc/31/97/41/1063319741.db2.gz CFTZLALYXXOQIQ-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001461245200 1063360131 /nfs/dbraw/zinc/36/01/31/1063360131.db2.gz ZDWCBVXEZSKWBP-GOSISDBHSA-N 2 2 322.496 4.402 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001461245200 1063360161 /nfs/dbraw/zinc/36/01/61/1063360161.db2.gz ZDWCBVXEZSKWBP-GOSISDBHSA-N 2 2 322.496 4.402 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001461258739 1063371997 /nfs/dbraw/zinc/37/19/97/1063371997.db2.gz DCGKHWKXSJPEEE-LJQANCHMSA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[N@H+]1Cc1ccccc1 ZINC001461258739 1063372019 /nfs/dbraw/zinc/37/20/19/1063372019.db2.gz DCGKHWKXSJPEEE-LJQANCHMSA-N 2 2 312.501 4.065 20 0 DIADLP c1ccc(NCCC[NH2+]C2CCC3(CCCCC3)CC2)[nH+]c1 ZINC001461264860 1063376899 /nfs/dbraw/zinc/37/68/99/1063376899.db2.gz QYNAVZVGSGMWQZ-UHFFFAOYSA-N 2 2 301.478 4.366 20 0 DIADLP C[NH+](C)[C@]1(C[NH2+]C2CCC(C3CCCCC3)CC2)CCSC1 ZINC001461269727 1063379903 /nfs/dbraw/zinc/37/99/03/1063379903.db2.gz VVPSCQQWYCWWRD-ACBHZAAOSA-N 2 2 324.578 4.152 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001461368830 1063450330 /nfs/dbraw/zinc/45/03/30/1063450330.db2.gz JCSRIMVFWNPSRI-NRFANRHFSA-N 2 2 319.452 4.339 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)CCc1c[nH+]cn1C ZINC001473144733 1063450524 /nfs/dbraw/zinc/45/05/24/1063450524.db2.gz NHOPWVRMWHHSJN-LJQANCHMSA-N 2 2 313.489 4.086 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CCc1c[nH+]cn1C ZINC001473144733 1063450531 /nfs/dbraw/zinc/45/05/31/1063450531.db2.gz NHOPWVRMWHHSJN-LJQANCHMSA-N 2 2 313.489 4.086 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258053089 1063484494 /nfs/dbraw/zinc/48/44/94/1063484494.db2.gz UGEFBXHGHYEBAE-ROUUACIJSA-N 2 2 302.506 4.169 20 0 DIADLP CC(C)=CCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258085211 1063507274 /nfs/dbraw/zinc/50/72/74/1063507274.db2.gz HHDDXVIERCAKCJ-INIZCTEOSA-N 2 2 304.453 4.210 20 0 DIADLP CC(C)=CCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258088222 1063510825 /nfs/dbraw/zinc/51/08/25/1063510825.db2.gz RJYPIQRZCHKFPD-BZSNNMDCSA-N 2 2 301.478 4.293 20 0 DIADLP CC(C)=CCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258098087 1063516861 /nfs/dbraw/zinc/51/68/61/1063516861.db2.gz RDRLUNOYEKLGFH-QGZVFWFLSA-N 2 2 301.478 4.083 20 0 DIADLP CCC[C@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001461465326 1063524636 /nfs/dbraw/zinc/52/46/36/1063524636.db2.gz RQXNZEPHMLYJRH-LJQANCHMSA-N 2 2 302.506 4.282 20 0 DIADLP CCC[C@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001461465326 1063524647 /nfs/dbraw/zinc/52/46/47/1063524647.db2.gz RQXNZEPHMLYJRH-LJQANCHMSA-N 2 2 302.506 4.282 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C2CCC3(CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001461488949 1063533574 /nfs/dbraw/zinc/53/35/74/1063533574.db2.gz RBVVBSXGMVJYDL-LJQANCHMSA-N 2 2 312.501 4.352 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C2CCC3(CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001461488949 1063533589 /nfs/dbraw/zinc/53/35/89/1063533589.db2.gz RBVVBSXGMVJYDL-LJQANCHMSA-N 2 2 312.501 4.352 20 0 DIADLP CSCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001258200202 1063558521 /nfs/dbraw/zinc/55/85/21/1063558521.db2.gz QXYSSTQQWKPYNU-KFKAGJAMSA-N 2 2 314.498 4.159 20 0 DIADLP CSCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001258208952 1063560167 /nfs/dbraw/zinc/56/01/67/1063560167.db2.gz QXYSSTQQWKPYNU-ZYSHUDEJSA-N 2 2 314.498 4.159 20 0 DIADLP Cc1ccc(N(C2CC[NH2+]CC2)C2CCCCCCC2)[nH+]c1 ZINC001258244234 1063579627 /nfs/dbraw/zinc/57/96/27/1063579627.db2.gz SQWPACSXCDDYDI-UHFFFAOYSA-N 2 2 301.478 4.061 20 0 DIADLP CSC(C)(C)C[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258328436 1063613141 /nfs/dbraw/zinc/61/31/41/1063613141.db2.gz BMUCNBMLUWNXIU-BZUAXINKSA-N 2 2 321.534 4.078 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001461639149 1063630502 /nfs/dbraw/zinc/63/05/02/1063630502.db2.gz ZWQHJHWZPLVAER-QGZVFWFLSA-N 2 2 312.482 4.022 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001461639149 1063630513 /nfs/dbraw/zinc/63/05/13/1063630513.db2.gz ZWQHJHWZPLVAER-QGZVFWFLSA-N 2 2 312.482 4.022 20 0 DIADLP CCCCC(CCCC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258388456 1063630647 /nfs/dbraw/zinc/63/06/47/1063630647.db2.gz FMJNPJXQJQZWIV-UHFFFAOYSA-N 2 2 303.494 4.389 20 0 DIADLP CCC[C@H](Cc1ccccc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258661996 1063730590 /nfs/dbraw/zinc/73/05/90/1063730590.db2.gz ZATBFRKNHLAOSR-HXUWFJFHSA-N 2 2 323.484 4.051 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC001258686579 1063751234 /nfs/dbraw/zinc/75/12/34/1063751234.db2.gz ATRWHASYYAWWQP-WMZOPIPTSA-N 2 2 315.505 4.102 20 0 DIADLP CCCC[C@H](Cc1ccccc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258713054 1063768628 /nfs/dbraw/zinc/76/86/28/1063768628.db2.gz BMENQTYSSWEMCS-RTBURBONSA-N 2 2 311.473 4.324 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258710180 1063768572 /nfs/dbraw/zinc/76/85/72/1063768572.db2.gz OIFJFVYBTVRAQG-IBGZPJMESA-N 2 2 307.441 4.225 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258711517 1063769418 /nfs/dbraw/zinc/76/94/18/1063769418.db2.gz BMENQTYSSWEMCS-OALUTQOASA-N 2 2 311.473 4.324 20 0 DIADLP CC(C)[N@H+]([C@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258753365 1063799660 /nfs/dbraw/zinc/79/96/60/1063799660.db2.gz JKTSJHJCTWWZQE-OAHLLOKOSA-N 2 2 308.897 4.076 20 0 DIADLP CC(C)[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258753365 1063799667 /nfs/dbraw/zinc/79/96/67/1063799667.db2.gz JKTSJHJCTWWZQE-OAHLLOKOSA-N 2 2 308.897 4.076 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001258764486 1063811132 /nfs/dbraw/zinc/81/11/32/1063811132.db2.gz SHZFZJFLBAKPPX-UHFFFAOYSA-N 2 2 319.251 4.097 20 0 DIADLP CC[C@H](C)C[C@H](CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258782097 1063818495 /nfs/dbraw/zinc/81/84/95/1063818495.db2.gz KCCFZLHRLPCNOB-WMZOPIPTSA-N 2 2 303.494 4.102 20 0 DIADLP CC[C@H](C)C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258783825 1063820740 /nfs/dbraw/zinc/82/07/40/1063820740.db2.gz JLPSBYRLFXXIHO-WMZOPIPTSA-N 2 2 318.505 4.161 20 0 DIADLP CC[C@@H](C)C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258783822 1063821605 /nfs/dbraw/zinc/82/16/05/1063821605.db2.gz JLPSBYRLFXXIHO-AEFFLSMTSA-N 2 2 318.505 4.161 20 0 DIADLP CC(C)CC(CC(C)C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258833982 1063856449 /nfs/dbraw/zinc/85/64/49/1063856449.db2.gz PLDPHCSPPFQQEB-UHFFFAOYSA-N 2 2 304.478 4.386 20 0 DIADLP CC(C)CC(CC(C)C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258836066 1063859352 /nfs/dbraw/zinc/85/93/52/1063859352.db2.gz LVYWRTBLBIGTAU-UHFFFAOYSA-N 2 2 303.494 4.101 20 0 DIADLP CC[C@@H](Cc1ccccc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258842232 1063861834 /nfs/dbraw/zinc/86/18/34/1063861834.db2.gz DPZQEALWRMSCJF-UFYCRDLUSA-N 2 2 323.484 4.179 20 0 DIADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379633848 1063986363 /nfs/dbraw/zinc/98/63/63/1063986363.db2.gz URSOOCBNDJDVEB-YLJYHZDGSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379633848 1063986371 /nfs/dbraw/zinc/98/63/71/1063986371.db2.gz URSOOCBNDJDVEB-YLJYHZDGSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@H]1CCC[C@H](C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471317 1064075101 /nfs/dbraw/zinc/07/51/01/1064075101.db2.gz TYVWEXAISYKAHB-ICSRJNTNSA-N 2 2 314.517 4.457 20 0 DIADLP C[C@H]1CCC[C@H](C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471317 1064075110 /nfs/dbraw/zinc/07/51/10/1064075110.db2.gz TYVWEXAISYKAHB-ICSRJNTNSA-N 2 2 314.517 4.457 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1F ZINC000650743438 1064591293 /nfs/dbraw/zinc/59/12/93/1064591293.db2.gz TULUDYRIELMCCW-FFZOFVMBSA-N 2 2 312.432 4.360 20 0 DIADLP CC(C)c1cc(NCCCCC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001307127632 1065275275 /nfs/dbraw/zinc/27/52/75/1065275275.db2.gz YWFAXUUSFHUBNY-UHFFFAOYSA-N 2 2 318.509 4.401 20 0 DIADLP Cc1ccccc1SC[C@H](C)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001307566251 1065485509 /nfs/dbraw/zinc/48/55/09/1065485509.db2.gz HGCTVZHYCXDVLI-AEFFLSMTSA-N 2 2 320.546 4.186 20 0 DIADLP Cc1ccccc1SC[C@H](C)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001307566251 1065485512 /nfs/dbraw/zinc/48/55/12/1065485512.db2.gz HGCTVZHYCXDVLI-AEFFLSMTSA-N 2 2 320.546 4.186 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)c[nH+]1 ZINC001307676831 1065557182 /nfs/dbraw/zinc/55/71/82/1065557182.db2.gz RECAZITUJLUXDD-UHFFFAOYSA-N 2 2 323.484 4.064 20 0 DIADLP CC1CC[NH+](CC[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC001307714538 1065582411 /nfs/dbraw/zinc/58/24/11/1065582411.db2.gz DHKFFTPDCGHPGI-HXUWFJFHSA-N 2 2 314.517 4.412 20 0 DIADLP C[C@@](Cc1ccccc1)([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC001307841220 1065647786 /nfs/dbraw/zinc/64/77/86/1065647786.db2.gz ATTRAKJALNDLSI-NRFANRHFSA-N 2 2 319.452 4.021 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC001308086292 1065754502 /nfs/dbraw/zinc/75/45/02/1065754502.db2.gz HBHIYWYFTGGVOO-HYXAFXHYSA-N 2 2 318.892 4.304 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC001308164294 1065787256 /nfs/dbraw/zinc/78/72/56/1065787256.db2.gz BQXHYFWQPKBEBH-GNZRSQJKSA-N 2 2 315.505 4.398 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC001308164294 1065787265 /nfs/dbraw/zinc/78/72/65/1065787265.db2.gz BQXHYFWQPKBEBH-GNZRSQJKSA-N 2 2 315.505 4.398 20 0 DIADLP Cc1cc(C)c([C@H](C)[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)c1 ZINC001308169090 1065788604 /nfs/dbraw/zinc/78/86/04/1065788604.db2.gz YHWZLWOPJGFOLG-KRWDZBQOSA-N 2 2 311.473 4.286 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C)(C)CC1)Cc1ccccc1 ZINC001308195047 1065804447 /nfs/dbraw/zinc/80/44/47/1065804447.db2.gz WHZISSYKTODYFZ-HXUWFJFHSA-N 2 2 316.533 4.498 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308220504 1065827231 /nfs/dbraw/zinc/82/72/31/1065827231.db2.gz BRIFPZRQFUWZDU-SJORKVTESA-N 2 2 315.436 4.316 20 0 DIADLP CCc1ccccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280842 1065881364 /nfs/dbraw/zinc/88/13/64/1065881364.db2.gz YHXQBVPPZGVSOU-OAQYLSRUSA-N 2 2 322.496 4.392 20 0 DIADLP CCc1ccccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280842 1065881377 /nfs/dbraw/zinc/88/13/77/1065881377.db2.gz YHXQBVPPZGVSOU-OAQYLSRUSA-N 2 2 322.496 4.392 20 0 DIADLP CC(C)C1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001308308133 1065902538 /nfs/dbraw/zinc/90/25/38/1065902538.db2.gz DGSPZFMRDGQKMW-UHFFFAOYSA-N 2 2 303.475 4.238 20 0 DIADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001308476551 1066015061 /nfs/dbraw/zinc/01/50/61/1066015061.db2.gz OEDMLPQPCLKGJR-OAQYLSRUSA-N 2 2 308.469 4.236 20 0 DIADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001308476551 1066015065 /nfs/dbraw/zinc/01/50/65/1066015065.db2.gz OEDMLPQPCLKGJR-OAQYLSRUSA-N 2 2 308.469 4.236 20 0 DIADLP Fc1cccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001308492262 1066026545 /nfs/dbraw/zinc/02/65/45/1066026545.db2.gz KAAQLZHNTGPBTQ-CPSHHHPTSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1cccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001308492262 1066026556 /nfs/dbraw/zinc/02/65/56/1066026556.db2.gz KAAQLZHNTGPBTQ-CPSHHHPTSA-N 2 2 316.464 4.226 20 0 DIADLP Cc1scc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1C ZINC001308730263 1066206915 /nfs/dbraw/zinc/20/69/15/1066206915.db2.gz AMWISFIYQGQJIX-UHFFFAOYSA-N 2 2 316.470 4.112 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001308784097 1066257405 /nfs/dbraw/zinc/25/74/05/1066257405.db2.gz CKINMIDYPULJIC-ZQIUZPCESA-N 2 2 315.848 4.194 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@H]1CSC[C@H]1C)Cc1ccccc1 ZINC001308850558 1066330212 /nfs/dbraw/zinc/33/02/12/1066330212.db2.gz HGSPOHFXHAJWOJ-MJGOQNOKSA-N 2 2 320.546 4.020 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@H]1CSC[C@H]1C)Cc1ccccc1 ZINC001308850558 1066330225 /nfs/dbraw/zinc/33/02/25/1066330225.db2.gz HGSPOHFXHAJWOJ-MJGOQNOKSA-N 2 2 320.546 4.020 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@H]1C[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC001308852188 1066330975 /nfs/dbraw/zinc/33/09/75/1066330975.db2.gz OMSFQCNPCCCMGH-ACRUOGEOSA-N 2 2 314.517 4.457 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@H]1C[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC001308852188 1066330996 /nfs/dbraw/zinc/33/09/96/1066330996.db2.gz OMSFQCNPCCCMGH-ACRUOGEOSA-N 2 2 314.517 4.457 20 0 DIADLP c1ccc(C[NH+]2CCC(Nc3c[nH+]cc4c3CCCC4)CC2)cc1 ZINC001308859353 1066338034 /nfs/dbraw/zinc/33/80/34/1066338034.db2.gz MAYLAYZIVHOLTN-UHFFFAOYSA-N 2 2 321.468 4.037 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001308914864 1066392087 /nfs/dbraw/zinc/39/20/87/1066392087.db2.gz GQBDOWRMDZSMIO-AABGKKOBSA-N 2 2 311.473 4.429 20 0 DIADLP CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308916336 1066394741 /nfs/dbraw/zinc/39/47/41/1066394741.db2.gz WEARZDUEBMXUNM-YZGWKJHDSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001308967040 1066423137 /nfs/dbraw/zinc/42/31/37/1066423137.db2.gz IRHKHPKLIIAJTF-GCJKJVERSA-N 2 2 322.496 4.359 20 0 DIADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001308967040 1066423140 /nfs/dbraw/zinc/42/31/40/1066423140.db2.gz IRHKHPKLIIAJTF-GCJKJVERSA-N 2 2 322.496 4.359 20 0 DIADLP CCSc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308975680 1066427600 /nfs/dbraw/zinc/42/76/00/1066427600.db2.gz WVJSGDBWUFQMOM-MRXNPFEDSA-N 2 2 320.546 4.051 20 0 DIADLP CCSc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308975680 1066427603 /nfs/dbraw/zinc/42/76/03/1066427603.db2.gz WVJSGDBWUFQMOM-MRXNPFEDSA-N 2 2 320.546 4.051 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001308983007 1066430745 /nfs/dbraw/zinc/43/07/45/1066430745.db2.gz JCTRMYNWYBZVBA-IRXDYDNUSA-N 2 2 301.478 4.174 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001308983007 1066430751 /nfs/dbraw/zinc/43/07/51/1066430751.db2.gz JCTRMYNWYBZVBA-IRXDYDNUSA-N 2 2 301.478 4.174 20 0 DIADLP COc1c(C)c[nH+]c(C[N@@H+]2CCCCC[C@H]2c2ccco2)c1C ZINC000078831279 185117672 /nfs/dbraw/zinc/11/76/72/185117672.db2.gz CFOYPFGTKOZPDI-KRWDZBQOSA-N 2 2 314.429 4.417 20 0 DIADLP COc1c(C)c[nH+]c(C[N@H+]2CCCCC[C@H]2c2ccco2)c1C ZINC000078831279 185117674 /nfs/dbraw/zinc/11/76/74/185117674.db2.gz CFOYPFGTKOZPDI-KRWDZBQOSA-N 2 2 314.429 4.417 20 0 DIADLP Clc1cc(Cl)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648536 185331559 /nfs/dbraw/zinc/33/15/59/185331559.db2.gz ICEDQTNWWLOPKT-UHFFFAOYSA-N 2 2 310.228 4.027 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000091306981 193036292 /nfs/dbraw/zinc/03/62/92/193036292.db2.gz KDLWFKPPAVUGOX-FQEVSTJZSA-N 2 2 303.409 4.113 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000036932190 182853013 /nfs/dbraw/zinc/85/30/13/182853013.db2.gz IVJLBVUUFYGKNO-LBPRGKRZSA-N 2 2 321.877 4.116 20 0 DIADLP Cc1ccc2cc([C@@H](C)[NH2+]CCCNc3cccc[nH+]3)oc2c1 ZINC000426041944 335045641 /nfs/dbraw/zinc/04/56/41/335045641.db2.gz APGOMOZXCBQIIC-OAHLLOKOSA-N 2 2 309.413 4.289 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cn1 ZINC000274889806 130269864 /nfs/dbraw/zinc/26/98/64/130269864.db2.gz JDQHRRXXPKAZBG-AWEZNQCLSA-N 2 2 321.896 4.183 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000284079016 131046458 /nfs/dbraw/zinc/04/64/58/131046458.db2.gz BAYPSMSGDBEXKE-AWEZNQCLSA-N 2 2 321.852 4.065 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(C)c1 ZINC000285680898 131192914 /nfs/dbraw/zinc/19/29/14/131192914.db2.gz NWIXICBUDRPOKB-OAQYLSRUSA-N 2 2 319.452 4.481 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000289284305 131371332 /nfs/dbraw/zinc/37/13/32/131371332.db2.gz OXMLFPNFQRQZTL-LEWJYISDSA-N 2 2 324.468 4.080 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000289360087 131377703 /nfs/dbraw/zinc/37/77/03/131377703.db2.gz YPWXNINHLVWELW-GOSISDBHSA-N 2 2 323.465 4.158 20 0 DIADLP Cc1nc2c(s1)[C@H]([N@H+](C)CCCc1c[nH+]ccc1C)CCC2 ZINC000289486655 131390616 /nfs/dbraw/zinc/39/06/16/131390616.db2.gz CEWYHMXIAZTZFR-QGZVFWFLSA-N 2 2 315.486 4.097 20 0 DIADLP Cc1nc2c(s1)[C@H]([N@@H+](C)CCCc1c[nH+]ccc1C)CCC2 ZINC000289486655 131390618 /nfs/dbraw/zinc/39/06/18/131390618.db2.gz CEWYHMXIAZTZFR-QGZVFWFLSA-N 2 2 315.486 4.097 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000037320310 331555112 /nfs/dbraw/zinc/55/51/12/331555112.db2.gz LNJUVBUALIYZMF-VHSXEESVSA-N 2 2 316.207 4.068 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000533636695 331639076 /nfs/dbraw/zinc/63/90/76/331639076.db2.gz GDYQOWCQTZILAJ-UHFFFAOYSA-N 2 2 310.372 4.121 20 0 DIADLP F[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000584231496 331872789 /nfs/dbraw/zinc/87/27/89/331872789.db2.gz YPNAAOIVAJGCLM-DOTOQJQBSA-N 2 2 324.871 4.175 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000518257872 332002253 /nfs/dbraw/zinc/00/22/53/332002253.db2.gz UDJHORMLMREXBA-UHFFFAOYSA-N 2 2 312.432 4.217 20 0 DIADLP FC(F)(F)c1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000091261965 332102323 /nfs/dbraw/zinc/10/23/23/332102323.db2.gz NSZNSAXRHWFJOK-INIZCTEOSA-N 2 2 323.362 4.033 20 0 DIADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000569555378 332137409 /nfs/dbraw/zinc/13/74/09/332137409.db2.gz IHBBIGRXNGEVCJ-LIRRHRJNSA-N 2 2 310.466 4.122 20 0 DIADLP Cc1ccc2[nH+]c(CNc3cc[nH+]c4cc(Cl)ccc34)cn2c1 ZINC000559690563 332276693 /nfs/dbraw/zinc/27/66/93/332276693.db2.gz QTOULNWRVRYRQH-UHFFFAOYSA-N 2 2 322.799 4.456 20 0 DIADLP CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559740170 332278159 /nfs/dbraw/zinc/27/81/59/332278159.db2.gz SXUXHCOSFFHDDY-WOJBJXKFSA-N 2 2 324.468 4.010 20 0 DIADLP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559740170 332278161 /nfs/dbraw/zinc/27/81/61/332278161.db2.gz SXUXHCOSFFHDDY-WOJBJXKFSA-N 2 2 324.468 4.010 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559786844 332282119 /nfs/dbraw/zinc/28/21/19/332282119.db2.gz KEXSRWFAZAQAAX-LJQANCHMSA-N 2 2 314.860 4.197 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000560246756 332323205 /nfs/dbraw/zinc/32/32/05/332323205.db2.gz SISQZNUJUGXIOQ-UKRRQHHQSA-N 2 2 322.880 4.015 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000560246756 332323206 /nfs/dbraw/zinc/32/32/06/332323206.db2.gz SISQZNUJUGXIOQ-UKRRQHHQSA-N 2 2 322.880 4.015 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560265061 332326327 /nfs/dbraw/zinc/32/63/27/332326327.db2.gz DATBWDJZFAOUNF-GFCCVEGCSA-N 2 2 323.893 4.045 20 0 DIADLP CCCC[C@H](C)[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000561773145 332494112 /nfs/dbraw/zinc/49/41/12/332494112.db2.gz YLOVTENIZOTMKP-ROUUACIJSA-N 2 2 313.489 4.278 20 0 DIADLP CC(C)(C)C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427860481 332545256 /nfs/dbraw/zinc/54/52/56/332545256.db2.gz AHKOQWLBYPEBEL-DLBZAZTESA-N 2 2 315.436 4.104 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000151312325 332570072 /nfs/dbraw/zinc/57/00/72/332570072.db2.gz XKTFCMNBQAUPIF-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000151343997 332572451 /nfs/dbraw/zinc/57/24/51/332572451.db2.gz IIBGCDQYYRAZAX-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000248199140 332579647 /nfs/dbraw/zinc/57/96/47/332579647.db2.gz YBBDMETXOAIYFX-YXJHDRRASA-N 2 2 315.486 4.197 20 0 DIADLP CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000569994805 332701054 /nfs/dbraw/zinc/70/10/54/332701054.db2.gz OKVMRBXTGHGGGP-MRXNPFEDSA-N 2 2 311.473 4.269 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)n1C ZINC000570226414 332728757 /nfs/dbraw/zinc/72/87/57/332728757.db2.gz RNHZBZNXUPRMDP-UHFFFAOYSA-N 2 2 324.255 4.204 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cc(C)ccc1C ZINC000518771609 333079001 /nfs/dbraw/zinc/07/90/01/333079001.db2.gz BDQPVZRQJISSTI-UHFFFAOYSA-N 2 2 307.441 4.141 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C ZINC000518774482 333110378 /nfs/dbraw/zinc/11/03/78/333110378.db2.gz KVONYLYNCVFVML-NQIIRXRSSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C ZINC000518774482 333110379 /nfs/dbraw/zinc/11/03/79/333110379.db2.gz KVONYLYNCVFVML-NQIIRXRSSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000518775924 333129066 /nfs/dbraw/zinc/12/90/66/333129066.db2.gz IVLBMXPOUYXQEY-QFBILLFUSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000518775924 333129068 /nfs/dbraw/zinc/12/90/68/333129068.db2.gz IVLBMXPOUYXQEY-QFBILLFUSA-N 2 2 312.432 4.059 20 0 DIADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@@H]32)[nH+]1 ZINC000582089596 333208779 /nfs/dbraw/zinc/20/87/79/333208779.db2.gz MYLDSCWEMCKJSK-AABGKKOBSA-N 2 2 317.436 4.102 20 0 DIADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@@H]32)[nH+]1 ZINC000582089596 333208782 /nfs/dbraw/zinc/20/87/82/333208782.db2.gz MYLDSCWEMCKJSK-AABGKKOBSA-N 2 2 317.436 4.102 20 0 DIADLP CC(C)(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000497523902 333259171 /nfs/dbraw/zinc/25/91/71/333259171.db2.gz PQXABAYUFDOVOB-GOSISDBHSA-N 2 2 311.429 4.396 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000390519686 333289367 /nfs/dbraw/zinc/28/93/67/333289367.db2.gz FRLBALDGZMSZQR-DOTOQJQBSA-N 2 2 300.471 4.063 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000390519686 333289369 /nfs/dbraw/zinc/28/93/69/333289369.db2.gz FRLBALDGZMSZQR-DOTOQJQBSA-N 2 2 300.471 4.063 20 0 DIADLP C[C@@H](c1cccc2ccccc21)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000531188318 333319605 /nfs/dbraw/zinc/31/96/05/333319605.db2.gz XXMJEHVBXIEEMO-INIZCTEOSA-N 2 2 305.425 4.434 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531340080 333344826 /nfs/dbraw/zinc/34/48/26/333344826.db2.gz VBISTHDYLZOJKR-HOCLYGCPSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531340080 333344828 /nfs/dbraw/zinc/34/48/28/333344828.db2.gz VBISTHDYLZOJKR-HOCLYGCPSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531340080 333344830 /nfs/dbraw/zinc/34/48/30/333344830.db2.gz VBISTHDYLZOJKR-HOCLYGCPSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531340080 333344831 /nfs/dbraw/zinc/34/48/31/333344831.db2.gz VBISTHDYLZOJKR-HOCLYGCPSA-N 2 2 306.881 4.065 20 0 DIADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383087 333348335 /nfs/dbraw/zinc/34/83/35/333348335.db2.gz HXPOMEAGDOWJMV-ZDUSSCGKSA-N 2 2 322.905 4.328 20 0 DIADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383087 333348336 /nfs/dbraw/zinc/34/83/36/333348336.db2.gz HXPOMEAGDOWJMV-ZDUSSCGKSA-N 2 2 322.905 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383087 333348337 /nfs/dbraw/zinc/34/83/37/333348337.db2.gz HXPOMEAGDOWJMV-ZDUSSCGKSA-N 2 2 322.905 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000531383087 333348338 /nfs/dbraw/zinc/34/83/38/333348338.db2.gz HXPOMEAGDOWJMV-ZDUSSCGKSA-N 2 2 322.905 4.328 20 0 DIADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000021015819 333386865 /nfs/dbraw/zinc/38/68/65/333386865.db2.gz TZFATRFFOGUGGS-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCCC2(F)F)n1-c1ccccc1 ZINC000390918709 333405577 /nfs/dbraw/zinc/40/55/77/333405577.db2.gz VYSJNNFMRIAEIC-HNNXBMFYSA-N 2 2 319.399 4.096 20 0 DIADLP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000152228564 333647751 /nfs/dbraw/zinc/64/77/51/333647751.db2.gz UESSNTIRYVEPFC-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)n1C ZINC000571464579 333791726 /nfs/dbraw/zinc/79/17/26/333791726.db2.gz YGDCEMQLHCJFJD-WBVHZDCISA-N 2 2 317.864 4.198 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414065382 333890229 /nfs/dbraw/zinc/89/02/29/333890229.db2.gz OKRVBKDBCAWOBF-HFTRVMKXSA-N 2 2 317.864 4.241 20 0 DIADLP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000414131354 333899774 /nfs/dbraw/zinc/89/97/74/333899774.db2.gz ZJSDKNUHNVYRIN-MRXNPFEDSA-N 2 2 324.255 4.010 20 0 DIADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc2c(ccc3ccccc23)o1 ZINC000414121441 333906662 /nfs/dbraw/zinc/90/66/62/333906662.db2.gz GYFPPOVGPBLQFY-AWEZNQCLSA-N 2 2 319.408 4.213 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000343475285 335168038 /nfs/dbraw/zinc/16/80/38/335168038.db2.gz JZQGVXDALPUYQY-HNAYVOBHSA-N 2 2 303.409 4.210 20 0 DIADLP COc1ccc(C[N@H+](C)CCCc2c[nH+]ccc2C)cc1Cl ZINC000414545216 334014148 /nfs/dbraw/zinc/01/41/48/334014148.db2.gz DWSZOOWPJHBMOC-UHFFFAOYSA-N 2 2 318.848 4.117 20 0 DIADLP COc1ccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cc1Cl ZINC000414545216 334014151 /nfs/dbraw/zinc/01/41/51/334014151.db2.gz DWSZOOWPJHBMOC-UHFFFAOYSA-N 2 2 318.848 4.117 20 0 DIADLP COc1ccc(C2CCC([NH2+]C[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000414836468 334111986 /nfs/dbraw/zinc/11/19/86/334111986.db2.gz SNXFAJCVLAWLSV-VFIGECHUSA-N 2 2 324.468 4.011 20 0 DIADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C)c1 ZINC000323708379 334140010 /nfs/dbraw/zinc/14/00/10/334140010.db2.gz HUUYMLRHQUDJGR-LJQANCHMSA-N 2 2 309.457 4.100 20 0 DIADLP CC(C)(C)C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000343563954 335178191 /nfs/dbraw/zinc/17/81/91/335178191.db2.gz NCTIJDQUUIWYKC-KRWDZBQOSA-N 2 2 303.425 4.179 20 0 DIADLP Cc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cs1 ZINC000294657169 334211939 /nfs/dbraw/zinc/21/19/39/334211939.db2.gz ADXYBARBLOZLCZ-RTBURBONSA-N 2 2 323.465 4.271 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644186 334266467 /nfs/dbraw/zinc/26/64/67/334266467.db2.gz DWXIGQZEYMVZCM-WZRBSPASSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644186 334266469 /nfs/dbraw/zinc/26/64/69/334266469.db2.gz DWXIGQZEYMVZCM-WZRBSPASSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644170 334266539 /nfs/dbraw/zinc/26/65/39/334266539.db2.gz DWXIGQZEYMVZCM-DMDPSCGWSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000187644170 334266540 /nfs/dbraw/zinc/26/65/40/334266540.db2.gz DWXIGQZEYMVZCM-DMDPSCGWSA-N 2 2 301.261 4.127 20 0 DIADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415107537 334281601 /nfs/dbraw/zinc/28/16/01/334281601.db2.gz JCUPASKHJHSMST-POAQFYNOSA-N 2 2 324.468 4.148 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCC2 ZINC000531939151 334299752 /nfs/dbraw/zinc/29/97/52/334299752.db2.gz AOTUEMLQGAAXQW-GOSISDBHSA-N 2 2 317.864 4.374 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000531943588 334300010 /nfs/dbraw/zinc/30/00/10/334300010.db2.gz CTHFOSBUWPZCCF-ZUOKHONESA-N 2 2 323.415 4.007 20 0 DIADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000531941972 334301927 /nfs/dbraw/zinc/30/19/27/334301927.db2.gz BSJNNADVPHEWTJ-QGZVFWFLSA-N 2 2 313.832 4.271 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1C(F)(F)F ZINC000531977929 334349775 /nfs/dbraw/zinc/34/97/75/334349775.db2.gz FWCOGWVPVOMLEF-CYBMUJFWSA-N 2 2 323.362 4.253 20 0 DIADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000049554215 334349903 /nfs/dbraw/zinc/34/99/03/334349903.db2.gz AHYJMZPRKBMYLY-NXEZZACHSA-N 2 2 307.240 4.123 20 0 DIADLP CCC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccsc1 ZINC000443096856 338444385 /nfs/dbraw/zinc/44/43/85/338444385.db2.gz JNDWXWYQVQYGPX-GDBMZVCRSA-N 2 2 303.475 4.261 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)CCC2 ZINC000531988081 334361384 /nfs/dbraw/zinc/36/13/84/334361384.db2.gz QCGUXBRJKHQHTQ-OALUTQOASA-N 2 2 309.457 4.200 20 0 DIADLP Cc1ccc(C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C(C)C)cc1 ZINC000531989576 334365206 /nfs/dbraw/zinc/36/52/06/334365206.db2.gz NNAOPZAIWBHHED-FQEVSTJZSA-N 2 2 321.468 4.042 20 0 DIADLP Cc1ccccc1C1CC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000341488106 334447528 /nfs/dbraw/zinc/44/75/28/334447528.db2.gz HJGSLFMXRZEMRJ-UHFFFAOYSA-N 2 2 323.465 4.278 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341876989 334489013 /nfs/dbraw/zinc/48/90/13/334489013.db2.gz KOKWJLPPTXXHFB-QGZVFWFLSA-N 2 2 316.832 4.089 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000343623362 335182152 /nfs/dbraw/zinc/18/21/52/335182152.db2.gz NRDFBAMRRBTOTJ-QGZVFWFLSA-N 2 2 323.440 4.347 20 0 DIADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccs1 ZINC000344198342 335224632 /nfs/dbraw/zinc/22/46/32/335224632.db2.gz BWLBZGJZMQBGKN-UHFFFAOYSA-N 2 2 303.456 4.020 20 0 DIADLP c1cn(-c2csc(C[N@H+](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC000346151373 335382300 /nfs/dbraw/zinc/38/23/00/335382300.db2.gz YXGDTBABCLMGBD-UHFFFAOYSA-N 2 2 309.438 4.098 20 0 DIADLP c1cn(-c2csc(C[N@@H+](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC000346151373 335382302 /nfs/dbraw/zinc/38/23/02/335382302.db2.gz YXGDTBABCLMGBD-UHFFFAOYSA-N 2 2 309.438 4.098 20 0 DIADLP c1cn(-c2csc(C[NH+]3CCC4(CCCC4)CC3)c2)c[nH+]1 ZINC000346156611 335383060 /nfs/dbraw/zinc/38/30/60/335383060.db2.gz SAOOMWVVPJNYGS-UHFFFAOYSA-N 2 2 301.459 4.090 20 0 DIADLP FC(F)(F)c1cccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000346196889 335389355 /nfs/dbraw/zinc/38/93/55/335389355.db2.gz PGZJYKBPXSKVIL-INIZCTEOSA-N 2 2 323.362 4.129 20 0 DIADLP FC(F)(F)c1cccc([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000346196889 335389356 /nfs/dbraw/zinc/38/93/56/335389356.db2.gz PGZJYKBPXSKVIL-INIZCTEOSA-N 2 2 323.362 4.129 20 0 DIADLP C[C@@H](c1cccs1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346305537 335398407 /nfs/dbraw/zinc/39/84/07/335398407.db2.gz INVLIQKLLGQXGJ-INIZCTEOSA-N 2 2 311.454 4.208 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000346315473 335399257 /nfs/dbraw/zinc/39/92/57/335399257.db2.gz SIUPSHSYZPWJRP-NSHDSACASA-N 2 2 324.255 4.118 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000346315473 335399258 /nfs/dbraw/zinc/39/92/58/335399258.db2.gz SIUPSHSYZPWJRP-NSHDSACASA-N 2 2 324.255 4.118 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000347506770 335500695 /nfs/dbraw/zinc/50/06/95/335500695.db2.gz QJFQUDXMDQWZOZ-QGZVFWFLSA-N 2 2 305.372 4.019 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H](C)c3cc4ccccc4o3)c[nH+]c12 ZINC000191130515 335607569 /nfs/dbraw/zinc/60/75/69/335607569.db2.gz CYLLRKQEDCESPC-CQSZACIVSA-N 2 2 305.381 4.240 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000349652380 335688583 /nfs/dbraw/zinc/68/85/83/335688583.db2.gz FERPTLORHLHFML-IERDGZPVSA-N 2 2 319.452 4.016 20 0 DIADLP c1csc([C@@H](C[NH2+][C@H]2CCc3ccccc32)[NH+]2CCCC2)c1 ZINC000532188425 335912752 /nfs/dbraw/zinc/91/27/52/335912752.db2.gz JLDKRDJHFMYNRK-ZWKOTPCHSA-N 2 2 312.482 4.162 20 0 DIADLP CCOc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162917543 338504768 /nfs/dbraw/zinc/50/47/68/338504768.db2.gz VAAZZZJCWSZDKA-MRXNPFEDSA-N 2 2 313.445 4.023 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000324224127 336112710 /nfs/dbraw/zinc/11/27/10/336112710.db2.gz FWSQLQUOEKWCAQ-IFXJQAMLSA-N 2 2 305.425 4.183 20 0 DIADLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000352345175 336213471 /nfs/dbraw/zinc/21/34/71/336213471.db2.gz JVZFZIDTHLTGRW-GFCCVEGCSA-N 2 2 310.228 4.096 20 0 DIADLP Clc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000352345175 336213472 /nfs/dbraw/zinc/21/34/72/336213472.db2.gz JVZFZIDTHLTGRW-GFCCVEGCSA-N 2 2 310.228 4.096 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000532449273 336246672 /nfs/dbraw/zinc/24/66/72/336246672.db2.gz WGJQEWCJOFOYKM-KRWDZBQOSA-N 2 2 320.440 4.076 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000532449278 336246711 /nfs/dbraw/zinc/24/67/11/336246711.db2.gz WGJQEWCJOFOYKM-QGZVFWFLSA-N 2 2 320.440 4.076 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000532465154 336249294 /nfs/dbraw/zinc/24/92/94/336249294.db2.gz KPQMNHIUNNDZSP-HNNXBMFYSA-N 2 2 301.409 4.236 20 0 DIADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000526949212 336275742 /nfs/dbraw/zinc/27/57/42/336275742.db2.gz NGRVLJFAOFLNGK-HLIPFELVSA-N 2 2 314.473 4.190 20 0 DIADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000301513351 336311656 /nfs/dbraw/zinc/31/16/56/336311656.db2.gz LBRDQTDDQVUCKQ-ZDUSSCGKSA-N 2 2 315.383 4.167 20 0 DIADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000301513351 336311657 /nfs/dbraw/zinc/31/16/57/336311657.db2.gz LBRDQTDDQVUCKQ-ZDUSSCGKSA-N 2 2 315.383 4.167 20 0 DIADLP Cc1cc(NCc2cn3c(cccc3C)[nH+]2)c2cc(F)ccc2[nH+]1 ZINC000301684423 336323172 /nfs/dbraw/zinc/32/31/72/336323172.db2.gz TYCBXGUTVYKZJR-UHFFFAOYSA-N 2 2 320.371 4.251 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc[nH+]cc2Cl)cc1 ZINC000301746562 336327316 /nfs/dbraw/zinc/32/73/16/336327316.db2.gz PWPJMIQIENVTEC-LBPRGKRZSA-N 2 2 312.804 4.402 20 0 DIADLP Cc1cc2ccccc2[nH+]c1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000301894760 336336635 /nfs/dbraw/zinc/33/66/35/336336635.db2.gz SZTOYQVXSYQRPM-UHFFFAOYSA-N 2 2 323.415 4.356 20 0 DIADLP Cc1[nH+]c2ccccc2c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000302095207 336348182 /nfs/dbraw/zinc/34/81/82/336348182.db2.gz RONAPDPJWLJPCF-LIRRHRJNSA-N 2 2 320.440 4.136 20 0 DIADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808163 336370137 /nfs/dbraw/zinc/37/01/37/336370137.db2.gz GGTOAOHJZNBNLI-DOTOQJQBSA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808163 336370138 /nfs/dbraw/zinc/37/01/38/336370138.db2.gz GGTOAOHJZNBNLI-DOTOQJQBSA-N 2 2 319.811 4.040 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000353254683 336408396 /nfs/dbraw/zinc/40/83/96/336408396.db2.gz XDQQJDTUAQHDDP-AWEZNQCLSA-N 2 2 319.399 4.176 20 0 DIADLP Cc1ccc(CCC[NH+]2CCC(OCc3ccccc3)CC2)c[nH+]1 ZINC000353378868 336414106 /nfs/dbraw/zinc/41/41/06/336414106.db2.gz HYAPLVDGVGPESZ-UHFFFAOYSA-N 2 2 324.468 4.004 20 0 DIADLP CCc1oc2ccccc2c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000353923978 336448719 /nfs/dbraw/zinc/44/87/19/336448719.db2.gz RIJXLAWKJDGHJH-UHFFFAOYSA-N 2 2 309.413 4.098 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CCOc3c(Cl)cccc32)c[nH+]1 ZINC000354135710 336461175 /nfs/dbraw/zinc/46/11/75/336461175.db2.gz ZQXBCLVVAHNAGL-KRWDZBQOSA-N 2 2 316.832 4.089 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H]2CCSc3ccc(F)cc32)c[nH+]1 ZINC000354180122 336462639 /nfs/dbraw/zinc/46/26/39/336462639.db2.gz GRYOHFXCHCXCOW-KRWDZBQOSA-N 2 2 316.445 4.288 20 0 DIADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000355049293 336493096 /nfs/dbraw/zinc/49/30/96/336493096.db2.gz ZHMPSRVEBRRGGQ-GOSISDBHSA-N 2 2 323.484 4.014 20 0 DIADLP CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359348080 336668725 /nfs/dbraw/zinc/66/87/25/336668725.db2.gz UEUSDHYHYKZHKE-HZPDHXFCSA-N 2 2 320.440 4.242 20 0 DIADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000360039217 336698853 /nfs/dbraw/zinc/69/88/53/336698853.db2.gz PGISBNRWRXNQIN-MGPUTAFESA-N 2 2 323.440 4.174 20 0 DIADLP CC1(C)Cc2occc2[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000360486119 336712667 /nfs/dbraw/zinc/71/26/67/336712667.db2.gz VRABIZPYJZZSLP-QGZVFWFLSA-N 2 2 323.440 4.392 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC(C)(C)c3ccccc31)CCC2 ZINC000361661812 336767671 /nfs/dbraw/zinc/76/76/71/336767671.db2.gz HDJGTDANXHJDKC-MAUKXSAKSA-N 2 2 309.457 4.081 20 0 DIADLP c1cn(-c2ccc(C[NH+]3CCC(c4ccsc4)CC3)cc2)c[nH+]1 ZINC000362666965 336808425 /nfs/dbraw/zinc/80/84/25/336808425.db2.gz QUIQDAFEMRBYHK-UHFFFAOYSA-N 2 2 323.465 4.313 20 0 DIADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)c2ccccc21 ZINC000375273222 337007112 /nfs/dbraw/zinc/00/71/12/337007112.db2.gz YLVJALZNHPAUQC-RBUKOAKNSA-N 2 2 309.457 4.194 20 0 DIADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCCCF)CC1 ZINC000375359534 337009157 /nfs/dbraw/zinc/00/91/57/337009157.db2.gz DLZFNHLLRFAZKB-UHFFFAOYSA-N 2 2 303.425 4.121 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000375840227 337020905 /nfs/dbraw/zinc/02/09/05/337020905.db2.gz OOSNXIHAUMSWRL-ZWKOTPCHSA-N 2 2 323.484 4.266 20 0 DIADLP CC(C)CC[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccoc1 ZINC000375842600 337020997 /nfs/dbraw/zinc/02/09/97/337020997.db2.gz WEVXOCAYAADFFC-NVXWUHKLSA-N 2 2 301.434 4.121 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3ccccc3c1)CCC2 ZINC000377838009 337062328 /nfs/dbraw/zinc/06/23/28/337062328.db2.gz UIBHNNIRWLUZLL-LJQANCHMSA-N 2 2 305.425 4.012 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1sccc1Cl ZINC000486970686 337147112 /nfs/dbraw/zinc/14/71/12/337147112.db2.gz NNWYVVLEWRBWDP-UHFFFAOYSA-N 2 2 319.861 4.240 20 0 DIADLP C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321006239 337162211 /nfs/dbraw/zinc/16/22/11/337162211.db2.gz OLRXQSGVRMHWDP-MRXNPFEDSA-N 2 2 323.465 4.315 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1cscn1 ZINC000582856705 337211334 /nfs/dbraw/zinc/21/13/34/337211334.db2.gz DHIYDYMBTHDSJA-AWEZNQCLSA-N 2 2 323.550 4.473 20 0 DIADLP Fc1cc(C[NH2+]Cc2sccc2Cl)ccc1-n1cc[nH+]c1 ZINC000193043899 337309052 /nfs/dbraw/zinc/30/90/52/337309052.db2.gz SOJPKQWLYJHBFL-UHFFFAOYSA-N 2 2 321.808 4.016 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193143779 337309937 /nfs/dbraw/zinc/30/99/37/337309937.db2.gz IZZLCANLXMSFSJ-JTDSTZFVSA-N 2 2 315.505 4.021 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000245703213 337486639 /nfs/dbraw/zinc/48/66/39/337486639.db2.gz MAYSYZAKGKLWDO-HLIPFELVSA-N 2 2 315.505 4.165 20 0 DIADLP CC(C)COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000321268016 337613765 /nfs/dbraw/zinc/61/37/65/337613765.db2.gz DVFXLTLEWMEJKG-QGZVFWFLSA-N 2 2 315.461 4.049 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)c2ccccc21 ZINC000422708831 337683742 /nfs/dbraw/zinc/68/37/42/337683742.db2.gz JLTUYJUMVDRYGU-BRWVUGGUSA-N 2 2 320.358 4.415 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422785037 337686588 /nfs/dbraw/zinc/68/65/88/337686588.db2.gz QMQLOFAFUAXWTB-TWOQFEAHSA-N 2 2 324.468 4.153 20 0 DIADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(F)ccc1F ZINC000422919981 337691368 /nfs/dbraw/zinc/69/13/68/337691368.db2.gz LIAOQQRJEYIGFF-SQNIBIBYSA-N 2 2 302.368 4.150 20 0 DIADLP C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422935209 337692265 /nfs/dbraw/zinc/69/22/65/337692265.db2.gz DJBVQKOROLLLRP-PVUWLOKVSA-N 2 2 320.889 4.221 20 0 DIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000423219804 337705214 /nfs/dbraw/zinc/70/52/14/337705214.db2.gz UOEIVRXWZMNQPN-FOIQADDNSA-N 2 2 313.489 4.110 20 0 DIADLP CC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000423246946 337707175 /nfs/dbraw/zinc/70/71/75/337707175.db2.gz OCEPFZNPMFYPOC-NSHDSACASA-N 2 2 323.893 4.032 20 0 DIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423247161 337707177 /nfs/dbraw/zinc/70/71/77/337707177.db2.gz QDUKLAJLNIQOIS-SPWCGHHHSA-N 2 2 320.889 4.183 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000423254259 337707588 /nfs/dbraw/zinc/70/75/88/337707588.db2.gz ZSEGAGXIOIDEAF-OFLPRAFFSA-N 2 2 310.432 4.223 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423398218 337715498 /nfs/dbraw/zinc/71/54/98/337715498.db2.gz OPMZYXXTRSDSME-AUTRQRHGSA-N 2 2 321.679 4.295 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000527229167 337739384 /nfs/dbraw/zinc/73/93/84/337739384.db2.gz YECMWMYLBNZAMR-GJZGRUSLSA-N 2 2 305.853 4.099 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H](C)c1ccc(Cl)cc1 ZINC000527229166 337739390 /nfs/dbraw/zinc/73/93/90/337739390.db2.gz YECMWMYLBNZAMR-CABCVRRESA-N 2 2 305.853 4.099 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536868055 337750710 /nfs/dbraw/zinc/75/07/10/337750710.db2.gz GWUFFWFDDFAFIU-LDQXTDLNSA-N 2 2 317.436 4.154 20 0 DIADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC[C@@H](c3ccccc3)CC1)CCC2 ZINC000527666141 337757279 /nfs/dbraw/zinc/75/72/79/337757279.db2.gz MGZAHOLGJBYXMB-VAMGGRTRSA-N 2 2 323.484 4.467 20 0 DIADLP Cc1cccc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C(C)C)c1 ZINC000527807624 337765310 /nfs/dbraw/zinc/76/53/10/337765310.db2.gz CIQXFFILUDBZLY-HXUWFJFHSA-N 2 2 320.440 4.063 20 0 DIADLP CC(C)Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000537290327 337928298 /nfs/dbraw/zinc/92/82/98/337928298.db2.gz MMURTLDUIWHMRW-HXUWFJFHSA-N 2 2 311.473 4.213 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cnccc2C)[NH+]2CCCC2)cc1 ZINC000537883523 337964527 /nfs/dbraw/zinc/96/45/27/337964527.db2.gz VLFVADLIPBIWKC-GHTZIAJQSA-N 2 2 323.484 4.186 20 0 DIADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514762746 337970302 /nfs/dbraw/zinc/97/03/02/337970302.db2.gz SASXAUGYFIKZPW-MBOZVWFJSA-N 2 2 311.473 4.236 20 0 DIADLP C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426374155 338029415 /nfs/dbraw/zinc/02/94/15/338029415.db2.gz VVEBFBOIPIDEOS-MHWRWJLKSA-N 2 2 323.465 4.469 20 0 DIADLP C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426374155 338029416 /nfs/dbraw/zinc/02/94/16/338029416.db2.gz VVEBFBOIPIDEOS-MHWRWJLKSA-N 2 2 323.465 4.469 20 0 DIADLP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528791 338034145 /nfs/dbraw/zinc/03/41/45/338034145.db2.gz HFYUMOYGNHGVHO-AEFFLSMTSA-N 2 2 305.425 4.021 20 0 DIADLP Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528791 338034146 /nfs/dbraw/zinc/03/41/46/338034146.db2.gz HFYUMOYGNHGVHO-AEFFLSMTSA-N 2 2 305.425 4.021 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](Nc1ccccc1)C(C)C ZINC000428279866 338045233 /nfs/dbraw/zinc/04/52/33/338045233.db2.gz YPLFDGMDCOPSRJ-FQEVSTJZSA-N 2 2 311.473 4.049 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](Nc1ccccc1)C(C)C ZINC000428279867 338045295 /nfs/dbraw/zinc/04/52/95/338045295.db2.gz YPLFDGMDCOPSRJ-HXUWFJFHSA-N 2 2 311.473 4.049 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1oc(C(C)C)nc1C ZINC000428443343 338051917 /nfs/dbraw/zinc/05/19/17/338051917.db2.gz YHUYOQPJWXKBRW-SJORKVTESA-N 2 2 321.509 4.097 20 0 DIADLP CCC[N@H+](Cc1csc(C2CCCCC2)n1)C1CC[NH2+]CC1 ZINC000431096961 338122494 /nfs/dbraw/zinc/12/24/94/338122494.db2.gz LNGUWLIQXUTMTO-UHFFFAOYSA-N 2 2 321.534 4.155 20 0 DIADLP CCC[N@@H+](Cc1csc(C2CCCCC2)n1)C1CC[NH2+]CC1 ZINC000431096961 338122495 /nfs/dbraw/zinc/12/24/95/338122495.db2.gz LNGUWLIQXUTMTO-UHFFFAOYSA-N 2 2 321.534 4.155 20 0 DIADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000431624833 338134939 /nfs/dbraw/zinc/13/49/39/338134939.db2.gz XLBLPOWUWVJPFS-JKSUJKDBSA-N 2 2 315.486 4.160 20 0 DIADLP C[C@@H](CCSc1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000431624833 338134940 /nfs/dbraw/zinc/13/49/40/338134940.db2.gz XLBLPOWUWVJPFS-JKSUJKDBSA-N 2 2 315.486 4.160 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432234418 338149404 /nfs/dbraw/zinc/14/94/04/338149404.db2.gz DBLHTVJRNZWYLS-UHFFFAOYSA-N 2 2 321.317 4.407 20 0 DIADLP Clc1cccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000434472927 338216912 /nfs/dbraw/zinc/21/69/12/338216912.db2.gz CMSDMLNEYDIVIY-UHFFFAOYSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1cccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1Cl ZINC000434479981 338217437 /nfs/dbraw/zinc/21/74/37/338217437.db2.gz CCDGLDBYWYSPKJ-UHFFFAOYSA-N 2 2 324.255 4.139 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436253930 338263808 /nfs/dbraw/zinc/26/38/08/338263808.db2.gz RJEURLHYZFNFCW-MOPGFXCFSA-N 2 2 319.452 4.271 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000437006151 338297558 /nfs/dbraw/zinc/29/75/58/338297558.db2.gz HEDMJLOXKJYQEX-ICSRJNTNSA-N 2 2 309.457 4.027 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000438118491 338333117 /nfs/dbraw/zinc/33/31/17/338333117.db2.gz QOAKTHGWIUWTCX-UYAOXDASSA-N 2 2 309.457 4.100 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000442632832 338426339 /nfs/dbraw/zinc/42/63/39/338426339.db2.gz GKMTZZHWDRBKAS-MAUKXSAKSA-N 2 2 314.498 4.362 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C2CCC(C(F)F)CC2)n1-c1ccccc1 ZINC000442764154 338429847 /nfs/dbraw/zinc/42/98/47/338429847.db2.gz CARKAVGQLHQVAC-UHFFFAOYSA-N 2 2 319.399 4.094 20 0 DIADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000447796320 338566778 /nfs/dbraw/zinc/56/67/78/338566778.db2.gz UVPWSTLKWWNDKL-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449079349 338591459 /nfs/dbraw/zinc/59/14/59/338591459.db2.gz YHEAYITZJBZFTF-KBXCAEBGSA-N 2 2 315.848 4.151 20 0 DIADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000453119126 338796104 /nfs/dbraw/zinc/79/61/04/338796104.db2.gz LQVGXPGFBXSHEZ-HNAYVOBHSA-N 2 2 306.413 4.069 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C)c3ccsc31)CCC2 ZINC000453126017 338796817 /nfs/dbraw/zinc/79/68/17/338796817.db2.gz UEYPRMYNFFSMLE-IVMMDQJWSA-N 2 2 315.486 4.359 20 0 DIADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000453162002 338801228 /nfs/dbraw/zinc/80/12/28/338801228.db2.gz BEBWLTNKJLCLBQ-QFBILLFUSA-N 2 2 317.521 4.411 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331316 339022402 /nfs/dbraw/zinc/02/24/02/339022402.db2.gz SVCJSVDYTKTCJH-XPSJOHQASA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331316 339022403 /nfs/dbraw/zinc/02/24/03/339022403.db2.gz SVCJSVDYTKTCJH-XPSJOHQASA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331314 339022432 /nfs/dbraw/zinc/02/24/32/339022432.db2.gz SVCJSVDYTKTCJH-SYGLAOGMSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459331314 339022433 /nfs/dbraw/zinc/02/24/33/339022433.db2.gz SVCJSVDYTKTCJH-SYGLAOGMSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459359445 339024309 /nfs/dbraw/zinc/02/43/09/339024309.db2.gz QPCUVZPTKHKAHV-QGZVFWFLSA-N 2 2 319.452 4.323 20 0 DIADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459359445 339024310 /nfs/dbraw/zinc/02/43/10/339024310.db2.gz QPCUVZPTKHKAHV-QGZVFWFLSA-N 2 2 319.452 4.323 20 0 DIADLP c1ccc(Oc2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459387520 339026429 /nfs/dbraw/zinc/02/64/29/339026429.db2.gz JUGGXPLLZDCJPW-UHFFFAOYSA-N 2 2 322.452 4.195 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459744305 339045822 /nfs/dbraw/zinc/04/58/22/339045822.db2.gz HOAUQFJPWGIVNT-INIZCTEOSA-N 2 2 300.421 4.025 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459744305 339045823 /nfs/dbraw/zinc/04/58/23/339045823.db2.gz HOAUQFJPWGIVNT-INIZCTEOSA-N 2 2 300.421 4.025 20 0 DIADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000462505037 339080326 /nfs/dbraw/zinc/08/03/26/339080326.db2.gz BKVROFBUWMVJRN-KBXCAEBGSA-N 2 2 320.440 4.136 20 0 DIADLP CC1(C)CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000462679979 339084044 /nfs/dbraw/zinc/08/40/44/339084044.db2.gz SMIASBCJTMIGFI-UHFFFAOYSA-N 2 2 318.480 4.349 20 0 DIADLP C[C@H]([NH2+]C/C=C\c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000462752257 339086835 /nfs/dbraw/zinc/08/68/35/339086835.db2.gz BHWSGZCXQRAVQV-SKHCZCESSA-N 2 2 303.409 4.236 20 0 DIADLP C[C@@H]([NH2+]C/C=C\c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000462752258 339086945 /nfs/dbraw/zinc/08/69/45/339086945.db2.gz BHWSGZCXQRAVQV-UXHZXRBQSA-N 2 2 303.409 4.236 20 0 DIADLP Cc1cccn2c(C[NH2+]CCCCCc3ccccc3)c[nH+]c12 ZINC000462777990 339087953 /nfs/dbraw/zinc/08/79/53/339087953.db2.gz MENBKDFARCOVJE-UHFFFAOYSA-N 2 2 307.441 4.145 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847328 339094199 /nfs/dbraw/zinc/09/41/99/339094199.db2.gz YWMKPCBYEKMXHC-FHSNZYRGSA-N 2 2 302.849 4.094 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Cl)c2ccccc21 ZINC000462847328 339094200 /nfs/dbraw/zinc/09/42/00/339094200.db2.gz YWMKPCBYEKMXHC-FHSNZYRGSA-N 2 2 302.849 4.094 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462885288 339096221 /nfs/dbraw/zinc/09/62/21/339096221.db2.gz SJUPCLWWXVWWMV-HZPDHXFCSA-N 2 2 324.472 4.099 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC2(CCC2)C1 ZINC000463085165 339105214 /nfs/dbraw/zinc/10/52/14/339105214.db2.gz DNTFTDFMLKVJED-UHFFFAOYSA-N 2 2 311.473 4.391 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC2(CCC2)C1 ZINC000463085165 339105215 /nfs/dbraw/zinc/10/52/15/339105215.db2.gz DNTFTDFMLKVJED-UHFFFAOYSA-N 2 2 311.473 4.391 20 0 DIADLP CC(C)[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463128118 339106513 /nfs/dbraw/zinc/10/65/13/339106513.db2.gz DXWPISWYZYXFTI-OAHLLOKOSA-N 2 2 308.897 4.186 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000463278036 339112920 /nfs/dbraw/zinc/11/29/20/339112920.db2.gz UTBJNOOTXUUYJW-PBHICJAKSA-N 2 2 306.881 4.083 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463283072 339113329 /nfs/dbraw/zinc/11/33/29/339113329.db2.gz NULMTZYGBQLAAS-OAHLLOKOSA-N 2 2 320.908 4.473 20 0 DIADLP CC1(C)[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000464073786 339133243 /nfs/dbraw/zinc/13/32/43/339133243.db2.gz JMRVWXRXDFVITH-QZTJIDSGSA-N 2 2 309.457 4.056 20 0 DIADLP CC1(C)[C@H]([NH2+]CCCCNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000464084934 339133775 /nfs/dbraw/zinc/13/37/75/339133775.db2.gz LHCGRVCHNLPHRF-RTBURBONSA-N 2 2 323.484 4.446 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782496 339153262 /nfs/dbraw/zinc/15/32/62/339153262.db2.gz XGNZQXQPBASWAW-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782496 339153263 /nfs/dbraw/zinc/15/32/63/339153263.db2.gz XGNZQXQPBASWAW-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782493 339153304 /nfs/dbraw/zinc/15/33/04/339153304.db2.gz XGNZQXQPBASWAW-KBPBESRZSA-N 2 2 312.860 4.204 20 0 DIADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782493 339153305 /nfs/dbraw/zinc/15/33/05/339153305.db2.gz XGNZQXQPBASWAW-KBPBESRZSA-N 2 2 312.860 4.204 20 0 DIADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789119 339153918 /nfs/dbraw/zinc/15/39/18/339153918.db2.gz MOZZHNOBYAOPDL-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789119 339153919 /nfs/dbraw/zinc/15/39/19/339153919.db2.gz MOZZHNOBYAOPDL-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789119 339153920 /nfs/dbraw/zinc/15/39/20/339153920.db2.gz MOZZHNOBYAOPDL-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789119 339153921 /nfs/dbraw/zinc/15/39/21/339153921.db2.gz MOZZHNOBYAOPDL-STQMWFEESA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@H+](CCC(C)(C)CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810280 339154870 /nfs/dbraw/zinc/15/48/70/339154870.db2.gz QKKRWVOUCSQNOO-UHFFFAOYSA-N 2 2 317.521 4.446 20 0 DIADLP CC[N@@H+](CCC(C)(C)CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810280 339154871 /nfs/dbraw/zinc/15/48/71/339154871.db2.gz QKKRWVOUCSQNOO-UHFFFAOYSA-N 2 2 317.521 4.446 20 0 DIADLP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467452963 339239649 /nfs/dbraw/zinc/23/96/49/339239649.db2.gz JFTFNGPOPCSTPL-PBPGXSGUSA-N 2 2 317.436 4.469 20 0 DIADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000467550617 339242097 /nfs/dbraw/zinc/24/20/97/339242097.db2.gz LXARIXHXCHMAQJ-SJLPKXTDSA-N 2 2 305.425 4.102 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCC1CCCCC1)CCC2 ZINC000468550469 339266041 /nfs/dbraw/zinc/26/60/41/339266041.db2.gz AJLPQLLFBLGXQM-CRAIPNDOSA-N 2 2 303.494 4.408 20 0 DIADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC[C@H]1CCc1ccccc1)CCC2 ZINC000468551628 339266071 /nfs/dbraw/zinc/26/60/71/339266071.db2.gz DPOXRWNZGGQONG-ZCNNSNEGSA-N 2 2 323.484 4.152 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000469776270 339298891 /nfs/dbraw/zinc/29/88/91/339298891.db2.gz POAKBJCPODWQCG-XHSDSOJGSA-N 2 2 323.550 4.285 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000469776270 339298892 /nfs/dbraw/zinc/29/88/92/339298892.db2.gz POAKBJCPODWQCG-XHSDSOJGSA-N 2 2 323.550 4.285 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@@H](C)CCC2CC2)[NH+]2CCCC2)cc1 ZINC000469775424 339298957 /nfs/dbraw/zinc/29/89/57/339298957.db2.gz LZHTUBFRPMVTKD-JXFKEZNVSA-N 2 2 316.489 4.000 20 0 DIADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471576637 339347713 /nfs/dbraw/zinc/34/77/13/339347713.db2.gz DHTZHPPCVWWSCB-JXXFODFXSA-N 2 2 314.448 4.038 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000471597141 339348872 /nfs/dbraw/zinc/34/88/72/339348872.db2.gz CLDAQHYTOLZGLX-GKCIPKSASA-N 2 2 312.432 4.094 20 0 DIADLP Fc1cccc(Cl)c1CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000472579321 339374110 /nfs/dbraw/zinc/37/41/10/339374110.db2.gz HXJJBPGYXSFESP-ZDUSSCGKSA-N 2 2 321.827 4.014 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059421 339399944 /nfs/dbraw/zinc/39/99/44/339399944.db2.gz SFVKUAPSHGPGDC-YJBOKZPZSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474059421 339399945 /nfs/dbraw/zinc/39/99/45/339399945.db2.gz SFVKUAPSHGPGDC-YJBOKZPZSA-N 2 2 322.443 4.065 20 0 DIADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCCCC2 ZINC000474793910 339426181 /nfs/dbraw/zinc/42/61/81/339426181.db2.gz AZOCRUWESOVAKO-MOPGFXCFSA-N 2 2 316.489 4.040 20 0 DIADLP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000474808691 339427330 /nfs/dbraw/zinc/42/73/30/339427330.db2.gz MPARVKJQSAQYOB-LEWJYISDSA-N 2 2 324.468 4.141 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](CC(C)C)C1)CCC2 ZINC000474811367 339427569 /nfs/dbraw/zinc/42/75/69/339427569.db2.gz RABXYKZKAKRZGT-FGTMMUONSA-N 2 2 303.494 4.263 20 0 DIADLP Cc1ccc(CCC[NH2+]C(C)(C)c2ccc(F)c(F)c2)c[nH+]1 ZINC000474824167 339428558 /nfs/dbraw/zinc/42/85/58/339428558.db2.gz YSNAILWRFPAYJA-UHFFFAOYSA-N 2 2 304.384 4.126 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cs1 ZINC000477935867 339505440 /nfs/dbraw/zinc/50/54/40/339505440.db2.gz WYBDQCKJYNGFHT-CQSZACIVSA-N 2 2 309.523 4.039 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000479428104 339534664 /nfs/dbraw/zinc/53/46/64/339534664.db2.gz ZDEPFERETXZCOM-SFHVURJKSA-N 2 2 304.384 4.198 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)s1 ZINC000480774842 339586857 /nfs/dbraw/zinc/58/68/57/339586857.db2.gz WHXVAEDCLGCTKD-OAHLLOKOSA-N 2 2 324.559 4.069 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000481301407 339600306 /nfs/dbraw/zinc/60/03/06/339600306.db2.gz ZBDUGKBYVOTFNY-GOSISDBHSA-N 2 2 323.484 4.014 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1C ZINC000481407105 339603391 /nfs/dbraw/zinc/60/33/91/339603391.db2.gz RJHMBBCLAMJMPC-MRXNPFEDSA-N 2 2 307.441 4.463 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](c4ccccc4F)C3)c[nH+]c12 ZINC000481834518 339614992 /nfs/dbraw/zinc/61/49/92/339614992.db2.gz ITFICFULPGXYDH-JKSUJKDBSA-N 2 2 323.415 4.208 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)[NH+](C)C)cc1 ZINC000481914743 339616520 /nfs/dbraw/zinc/61/65/20/339616520.db2.gz BBMNHTGDJSOEAT-SFTDATJTSA-N 2 2 323.484 4.124 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000483131004 339653312 /nfs/dbraw/zinc/65/33/12/339653312.db2.gz AOOKGRRYQQWNLH-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2ccccc2c1 ZINC000484277267 339683681 /nfs/dbraw/zinc/68/36/81/339683681.db2.gz CCIXBYZIGIRMFM-INIZCTEOSA-N 2 2 305.425 4.388 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000484306561 339684603 /nfs/dbraw/zinc/68/46/03/339684603.db2.gz XDOHZIMAOSYOMF-MRXNPFEDSA-N 2 2 313.445 4.022 20 0 DIADLP Clc1cccc2c1CC[C@H]2[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000489118869 339802152 /nfs/dbraw/zinc/80/21/52/339802152.db2.gz PANHQATUGAXBPE-LJQANCHMSA-N 2 2 318.892 4.278 20 0 DIADLP Clc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000499051169 340028516 /nfs/dbraw/zinc/02/85/16/340028516.db2.gz ANNSXWDVKQWFJI-KRWDZBQOSA-N 2 2 303.837 4.154 20 0 DIADLP Clc1ccc([C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000499051169 340028517 /nfs/dbraw/zinc/02/85/17/340028517.db2.gz ANNSXWDVKQWFJI-KRWDZBQOSA-N 2 2 303.837 4.154 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000499051855 340028580 /nfs/dbraw/zinc/02/85/80/340028580.db2.gz DEEKUCXEFTYRHV-GOSISDBHSA-N 2 2 317.864 4.462 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000499051855 340028581 /nfs/dbraw/zinc/02/85/81/340028581.db2.gz DEEKUCXEFTYRHV-GOSISDBHSA-N 2 2 317.864 4.462 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000499054647 340028692 /nfs/dbraw/zinc/02/86/92/340028692.db2.gz KJJPLZXBQPQMIE-HXUWFJFHSA-N 2 2 323.415 4.134 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000499054647 340028693 /nfs/dbraw/zinc/02/86/93/340028693.db2.gz KJJPLZXBQPQMIE-HXUWFJFHSA-N 2 2 323.415 4.134 20 0 DIADLP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000500041075 340049098 /nfs/dbraw/zinc/04/90/98/340049098.db2.gz QKAGDEITWQTOIH-POAQFYNOSA-N 2 2 316.489 4.000 20 0 DIADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502303231 340099246 /nfs/dbraw/zinc/09/92/46/340099246.db2.gz SHMVXNKBYUAYDY-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502303231 340099247 /nfs/dbraw/zinc/09/92/47/340099247.db2.gz SHMVXNKBYUAYDY-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000502344622 340100281 /nfs/dbraw/zinc/10/02/81/340100281.db2.gz WDABVYRGXNTNGQ-RDTXWAMCSA-N 2 2 306.881 4.083 20 0 DIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)oc1C ZINC000502475869 340105280 /nfs/dbraw/zinc/10/52/80/340105280.db2.gz WYMDKSNVIYMZQG-HNNXBMFYSA-N 2 2 304.478 4.344 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000503077569 340120488 /nfs/dbraw/zinc/12/04/88/340120488.db2.gz ZZNDXPLUFDWNDT-BLLLJJGKSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000503077569 340120489 /nfs/dbraw/zinc/12/04/89/340120489.db2.gz ZZNDXPLUFDWNDT-BLLLJJGKSA-N 2 2 324.255 4.273 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503089724 340120830 /nfs/dbraw/zinc/12/08/30/340120830.db2.gz YMQXFVMZNJBEQN-UWJYYQICSA-N 2 2 319.452 4.428 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503089724 340120831 /nfs/dbraw/zinc/12/08/31/340120831.db2.gz YMQXFVMZNJBEQN-UWJYYQICSA-N 2 2 319.452 4.428 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503557047 340130394 /nfs/dbraw/zinc/13/03/94/340130394.db2.gz HNNOAQXQTDVZJQ-UHFFFAOYSA-N 2 2 308.381 4.108 20 0 DIADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503593011 340131960 /nfs/dbraw/zinc/13/19/60/340131960.db2.gz SFNZNMZNHQIGHP-CVEARBPZSA-N 2 2 314.429 4.034 20 0 DIADLP Clc1ccc(/C=C\C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506367294 340193363 /nfs/dbraw/zinc/19/33/63/340193363.db2.gz COCFZSSRTNRHPS-PLNGDYQASA-N 2 2 318.892 4.304 20 0 DIADLP Cc1cc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)oc2cc1C ZINC000506494801 340195646 /nfs/dbraw/zinc/19/56/46/340195646.db2.gz HPSRNTBONBRQGS-UHFFFAOYSA-N 2 2 312.457 4.110 20 0 DIADLP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507468628 340221246 /nfs/dbraw/zinc/22/12/46/340221246.db2.gz HLSQYVDUPZORGP-CQSZACIVSA-N 2 2 308.432 4.352 20 0 DIADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000507512187 340223478 /nfs/dbraw/zinc/22/34/78/340223478.db2.gz OXMMCHNXVHGVIF-MRXNPFEDSA-N 2 2 315.505 4.092 20 0 DIADLP C[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000507897718 340235297 /nfs/dbraw/zinc/23/52/97/340235297.db2.gz VIVRAYHKXGOXSF-BLLLJJGKSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000507897718 340235298 /nfs/dbraw/zinc/23/52/98/340235298.db2.gz VIVRAYHKXGOXSF-BLLLJJGKSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000507897721 340235364 /nfs/dbraw/zinc/23/53/64/340235364.db2.gz VIVRAYHKXGOXSF-WBMJQRKESA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000507897721 340235365 /nfs/dbraw/zinc/23/53/65/340235365.db2.gz VIVRAYHKXGOXSF-WBMJQRKESA-N 2 2 324.255 4.273 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000509278419 340265072 /nfs/dbraw/zinc/26/50/72/340265072.db2.gz GYALZCXCRBNLPH-UHFFFAOYSA-N 2 2 300.490 4.260 20 0 DIADLP Cc1cc(F)ccc1C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000510296314 340295228 /nfs/dbraw/zinc/29/52/28/340295228.db2.gz PRZLTJOSDJCCIA-MRXNPFEDSA-N 2 2 314.448 4.353 20 0 DIADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000510533161 340301975 /nfs/dbraw/zinc/30/19/75/340301975.db2.gz JCOXDFZDVIIGSH-ZDUSSCGKSA-N 2 2 303.475 4.148 20 0 DIADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000510533161 340301976 /nfs/dbraw/zinc/30/19/76/340301976.db2.gz JCOXDFZDVIIGSH-ZDUSSCGKSA-N 2 2 303.475 4.148 20 0 DIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCCF)C2 ZINC000510671999 340305877 /nfs/dbraw/zinc/30/58/77/340305877.db2.gz RZCPNHYEBLXSIR-HRCADAONSA-N 2 2 321.484 4.003 20 0 DIADLP Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000303156871 340306842 /nfs/dbraw/zinc/30/68/42/340306842.db2.gz GJYSUTJXSOXOPX-UHFFFAOYSA-N 2 2 319.452 4.248 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214234 340352687 /nfs/dbraw/zinc/35/26/87/340352687.db2.gz VKWBEIDZYSUTMT-DOTOQJQBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000512214234 340352688 /nfs/dbraw/zinc/35/26/88/340352688.db2.gz VKWBEIDZYSUTMT-DOTOQJQBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214234 340352689 /nfs/dbraw/zinc/35/26/89/340352689.db2.gz VKWBEIDZYSUTMT-DOTOQJQBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000512214234 340352690 /nfs/dbraw/zinc/35/26/90/340352690.db2.gz VKWBEIDZYSUTMT-DOTOQJQBSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000173354238 340363225 /nfs/dbraw/zinc/36/32/25/340363225.db2.gz SCTWSPHWAQXHOX-GFCCVEGCSA-N 2 2 315.367 4.125 20 0 DIADLP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513233363 340398588 /nfs/dbraw/zinc/39/85/88/340398588.db2.gz LGLLFIGRYDZPSP-GJZGRUSLSA-N 2 2 308.897 4.329 20 0 DIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000177206106 340437325 /nfs/dbraw/zinc/43/73/25/340437325.db2.gz MBVYLHWOBYTYJF-KRWDZBQOSA-N 2 2 311.473 4.032 20 0 DIADLP Cc1ccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)o1 ZINC000524605430 340658872 /nfs/dbraw/zinc/65/88/72/340658872.db2.gz YXBKKMOKGVFXJG-KRWDZBQOSA-N 2 2 312.457 4.341 20 0 DIADLP CC(C)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000236619537 340663179 /nfs/dbraw/zinc/66/31/79/340663179.db2.gz UFCWNANJSIYOSV-HXUWFJFHSA-N 2 2 323.484 4.427 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000236698013 340664053 /nfs/dbraw/zinc/66/40/53/340664053.db2.gz JNNQQXCYYYPZOI-ICFOKQHNSA-N 2 2 319.452 4.428 20 0 DIADLP c1cn(C2CC[NH+](CCCc3cccc4ccccc43)CC2)c[nH+]1 ZINC000124780538 340800846 /nfs/dbraw/zinc/80/08/46/340800846.db2.gz ONDOJLCOASDGBH-UHFFFAOYSA-N 2 2 319.452 4.306 20 0 DIADLP CC(C)[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000539200822 340876002 /nfs/dbraw/zinc/87/60/02/340876002.db2.gz AJYQYSBDUDODHV-HXUWFJFHSA-N 2 2 307.441 4.482 20 0 DIADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2)C(C)C ZINC000540083880 340914425 /nfs/dbraw/zinc/91/44/25/340914425.db2.gz PNCAYDOYDPJHEW-OAHLLOKOSA-N 2 2 323.550 4.181 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000540258111 340925032 /nfs/dbraw/zinc/92/50/32/340925032.db2.gz CZKBTHLIAAHERL-NRFANRHFSA-N 2 2 319.452 4.476 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000540258112 340925071 /nfs/dbraw/zinc/92/50/71/340925071.db2.gz CZKBTHLIAAHERL-OAQYLSRUSA-N 2 2 319.452 4.476 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000542211900 341000373 /nfs/dbraw/zinc/00/03/73/341000373.db2.gz WRPQMPAQBHNLFU-IBGZPJMESA-N 2 2 318.892 4.278 20 0 DIADLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000542466328 341008451 /nfs/dbraw/zinc/00/84/51/341008451.db2.gz AUJHBDOWZLTLFV-UHFFFAOYSA-N 2 2 311.454 4.346 20 0 DIADLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000542466328 341008452 /nfs/dbraw/zinc/00/84/52/341008452.db2.gz AUJHBDOWZLTLFV-UHFFFAOYSA-N 2 2 311.454 4.346 20 0 DIADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466850 341008515 /nfs/dbraw/zinc/00/85/15/341008515.db2.gz LALCFLNDUMDITE-BEFAXECRSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466850 341008516 /nfs/dbraw/zinc/00/85/16/341008516.db2.gz LALCFLNDUMDITE-BEFAXECRSA-N 2 2 323.465 4.312 20 0 DIADLP CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663029 341015993 /nfs/dbraw/zinc/01/59/93/341015993.db2.gz PFBZUDPRQRUMAT-QMMLZNLJSA-N 2 2 323.484 4.175 20 0 DIADLP CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000542663029 341015994 /nfs/dbraw/zinc/01/59/94/341015994.db2.gz PFBZUDPRQRUMAT-QMMLZNLJSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)c(Cl)c1 ZINC000130629810 341034783 /nfs/dbraw/zinc/03/47/83/341034783.db2.gz HYXMFWOTUUALDT-LBPRGKRZSA-N 2 2 317.795 4.020 20 0 DIADLP C[C@]1(c2ccccc2)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396841 341042171 /nfs/dbraw/zinc/04/21/71/341042171.db2.gz WMWGZKYWPNCDKE-IBGZPJMESA-N 2 2 323.465 4.097 20 0 DIADLP C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396841 341042172 /nfs/dbraw/zinc/04/21/72/341042172.db2.gz WMWGZKYWPNCDKE-IBGZPJMESA-N 2 2 323.465 4.097 20 0 DIADLP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397752 341042201 /nfs/dbraw/zinc/04/22/01/341042201.db2.gz DRBYAPJZWUYWNH-WBVHZDCISA-N 2 2 323.465 4.312 20 0 DIADLP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543397752 341042202 /nfs/dbraw/zinc/04/22/02/341042202.db2.gz DRBYAPJZWUYWNH-WBVHZDCISA-N 2 2 323.465 4.312 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000543600834 341050629 /nfs/dbraw/zinc/05/06/29/341050629.db2.gz JBIPLALTYSOGAA-GJZGRUSLSA-N 2 2 311.454 4.351 20 0 DIADLP Cc1ccc([C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C2CCC2)o1 ZINC000543601880 341050824 /nfs/dbraw/zinc/05/08/24/341050824.db2.gz KZJPPAYQDPLCFC-FQEVSTJZSA-N 2 2 323.440 4.377 20 0 DIADLP c1ccc([C@H]2CC[C@@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000131127812 341062027 /nfs/dbraw/zinc/06/20/27/341062027.db2.gz GJUKXMNJBITCFD-RBUKOAKNSA-N 2 2 309.457 4.200 20 0 DIADLP CS[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000544386109 341079672 /nfs/dbraw/zinc/07/96/72/341079672.db2.gz SSDKOXFUPDAWBB-PBHICJAKSA-N 2 2 317.502 4.301 20 0 DIADLP Cc1ccc([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CCC2)o1 ZINC000544569323 341086147 /nfs/dbraw/zinc/08/61/47/341086147.db2.gz NSMPPHPKCIQVCK-HXUWFJFHSA-N 2 2 321.424 4.405 20 0 DIADLP Cc1ccccc1C([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1C ZINC000544828850 341095230 /nfs/dbraw/zinc/09/52/30/341095230.db2.gz ALLYENNPUYXWDF-RTBURBONSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccccc1C([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1C ZINC000544828850 341095231 /nfs/dbraw/zinc/09/52/31/341095231.db2.gz ALLYENNPUYXWDF-RTBURBONSA-N 2 2 322.496 4.465 20 0 DIADLP FC(F)(F)c1ccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000131888488 341113204 /nfs/dbraw/zinc/11/32/04/341113204.db2.gz LEXYYFXDWNMGIG-INIZCTEOSA-N 2 2 323.362 4.129 20 0 DIADLP FC(F)(F)c1ccc([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000131888488 341113205 /nfs/dbraw/zinc/11/32/05/341113205.db2.gz LEXYYFXDWNMGIG-INIZCTEOSA-N 2 2 323.362 4.129 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132154163 341117310 /nfs/dbraw/zinc/11/73/10/341117310.db2.gz BMCUDEQSTALEGI-SFHVURJKSA-N 2 2 311.473 4.198 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000132281131 341119934 /nfs/dbraw/zinc/11/99/34/341119934.db2.gz RLKFIMYQRRFKDD-GOSISDBHSA-N 2 2 319.452 4.133 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000132282874 341119937 /nfs/dbraw/zinc/11/99/37/341119937.db2.gz DVOIXBCGKYHVPI-SFHVURJKSA-N 2 2 319.452 4.133 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000545458566 341125826 /nfs/dbraw/zinc/12/58/26/341125826.db2.gz YWCMYQOLGHCBRJ-IMJJTQAJSA-N 2 2 314.395 4.143 20 0 DIADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000545458566 341125827 /nfs/dbraw/zinc/12/58/27/341125827.db2.gz YWCMYQOLGHCBRJ-IMJJTQAJSA-N 2 2 314.395 4.143 20 0 DIADLP Cc1cccc(C)c1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000546228640 341158159 /nfs/dbraw/zinc/15/81/59/341158159.db2.gz ZQKODBCAMSXBMI-KRWDZBQOSA-N 2 2 309.457 4.018 20 0 DIADLP CCC(CC)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546606282 341174566 /nfs/dbraw/zinc/17/45/66/341174566.db2.gz UEJHGRJHNHCASJ-SUMWQHHRSA-N 2 2 312.860 4.250 20 0 DIADLP CCC(CC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546606282 341174567 /nfs/dbraw/zinc/17/45/67/341174567.db2.gz UEJHGRJHNHCASJ-SUMWQHHRSA-N 2 2 312.860 4.250 20 0 DIADLP Cc1ccc(CCC[NH2+]CC(F)(F)c2ccc(Cl)cc2)c[nH+]1 ZINC000564311446 341186838 /nfs/dbraw/zinc/18/68/38/341186838.db2.gz XMFWJCAAELDSOS-UHFFFAOYSA-N 2 2 324.802 4.358 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000236631285 341190533 /nfs/dbraw/zinc/19/05/33/341190533.db2.gz PKOFLDVFQNIXKG-UHFFFAOYSA-N 2 2 324.468 4.443 20 0 DIADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)Cn1cc[nH+]c1 ZINC000548752413 341272260 /nfs/dbraw/zinc/27/22/60/341272260.db2.gz WIAHMMUZKANTBF-HNJRGHQBSA-N 2 2 311.473 4.081 20 0 DIADLP c1cn(-c2cccc(C[NH2+]Cc3ccc(C4CCC4)cc3)c2)c[nH+]1 ZINC000549749288 341302145 /nfs/dbraw/zinc/30/21/45/341302145.db2.gz RFUREXOLFWISJF-UHFFFAOYSA-N 2 2 317.436 4.430 20 0 DIADLP C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C[C@H]1n1cc[nH+]c1 ZINC000245682000 341309172 /nfs/dbraw/zinc/30/91/72/341309172.db2.gz PGWFKDUMSHTVEN-FSPWUOQZSA-N 2 2 315.848 4.107 20 0 DIADLP C[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3Cl)C[C@H]1n1cc[nH+]c1 ZINC000245682000 341309173 /nfs/dbraw/zinc/30/91/73/341309173.db2.gz PGWFKDUMSHTVEN-FSPWUOQZSA-N 2 2 315.848 4.107 20 0 DIADLP Cc1c2cccc(Cl)c2sc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000550097383 341309810 /nfs/dbraw/zinc/30/98/10/341309810.db2.gz OSXBYLIQCIZEJS-LLVKDONJSA-N 2 2 319.861 4.238 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c2ccccc21)[N@H+](C)C1CC1 ZINC000551030707 341329640 /nfs/dbraw/zinc/32/96/40/341329640.db2.gz ZSVMKIIPDRELRB-KBPBESRZSA-N 2 2 300.421 4.112 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c2ccccc21)[N@@H+](C)C1CC1 ZINC000551030707 341329641 /nfs/dbraw/zinc/32/96/41/341329641.db2.gz ZSVMKIIPDRELRB-KBPBESRZSA-N 2 2 300.421 4.112 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000551271992 341336547 /nfs/dbraw/zinc/33/65/47/341336547.db2.gz HUABDDMWXIRWTC-PBEJRMEISA-N 2 2 317.436 4.327 20 0 DIADLP CC(C)C[N@H+](CCn1cc[nH+]c1)[C@H](C)c1ccccc1Cl ZINC000551421799 341341225 /nfs/dbraw/zinc/34/12/25/341341225.db2.gz KHYDBUIWVYUZMN-OAHLLOKOSA-N 2 2 305.853 4.256 20 0 DIADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1ccccc1Cl ZINC000551421799 341341226 /nfs/dbraw/zinc/34/12/26/341341226.db2.gz KHYDBUIWVYUZMN-OAHLLOKOSA-N 2 2 305.853 4.256 20 0 DIADLP CCCCc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000551565263 341345740 /nfs/dbraw/zinc/34/57/40/341345740.db2.gz SMGMPHGCFSFSTE-MRXNPFEDSA-N 2 2 311.473 4.413 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551790192 341351672 /nfs/dbraw/zinc/35/16/72/341351672.db2.gz XIIMOMNTRQIMSJ-XOKHGSTOSA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551790192 341351673 /nfs/dbraw/zinc/35/16/73/341351673.db2.gz XIIMOMNTRQIMSJ-XOKHGSTOSA-N 2 2 324.871 4.250 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551790190 341351735 /nfs/dbraw/zinc/35/17/35/341351735.db2.gz XIIMOMNTRQIMSJ-COXVUDFISA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551790190 341351736 /nfs/dbraw/zinc/35/17/36/341351736.db2.gz XIIMOMNTRQIMSJ-COXVUDFISA-N 2 2 324.871 4.250 20 0 DIADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246637024 341354898 /nfs/dbraw/zinc/35/48/98/341354898.db2.gz RWAJTVZXSKQUQX-JKIFEVAISA-N 2 2 303.837 4.181 20 0 DIADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246637024 341354899 /nfs/dbraw/zinc/35/48/99/341354899.db2.gz RWAJTVZXSKQUQX-JKIFEVAISA-N 2 2 303.837 4.181 20 0 DIADLP C[NH+](C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000246933844 341358731 /nfs/dbraw/zinc/35/87/31/341358731.db2.gz NVCSFKONKDEORX-OAGGEKHMSA-N 2 2 314.395 4.000 20 0 DIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000247125692 341361205 /nfs/dbraw/zinc/36/12/05/341361205.db2.gz VBPQYMDQFXVTST-IEBWSBKVSA-N 2 2 317.521 4.098 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000247125692 341361206 /nfs/dbraw/zinc/36/12/06/341361206.db2.gz VBPQYMDQFXVTST-IEBWSBKVSA-N 2 2 317.521 4.098 20 0 DIADLP C[C@H](C[NH+](C)[C@@H](C)c1ccco1)C[N@H+](C)[C@H](C)c1ccco1 ZINC000247205652 341362139 /nfs/dbraw/zinc/36/21/39/341362139.db2.gz VGTPIGIPZDDFRD-MUJYYYPQSA-N 2 2 304.434 4.195 20 0 DIADLP C[C@H](C[NH+](C)[C@@H](C)c1ccco1)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000247205652 341362140 /nfs/dbraw/zinc/36/21/40/341362140.db2.gz VGTPIGIPZDDFRD-MUJYYYPQSA-N 2 2 304.434 4.195 20 0 DIADLP C[C@H](c1ccco1)[NH+](C)C[C@H](C)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000247205652 341362141 /nfs/dbraw/zinc/36/21/41/341362141.db2.gz VGTPIGIPZDDFRD-MUJYYYPQSA-N 2 2 304.434 4.195 20 0 DIADLP C[C@H](c1ccco1)[NH+](C)C[C@H](C)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000247205652 341362142 /nfs/dbraw/zinc/36/21/42/341362142.db2.gz VGTPIGIPZDDFRD-MUJYYYPQSA-N 2 2 304.434 4.195 20 0 DIADLP CC(C)[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552037866 341363925 /nfs/dbraw/zinc/36/39/25/341363925.db2.gz VVXTYXACEFYMBH-RTBURBONSA-N 2 2 320.908 4.329 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccc(C(C)(F)F)cc2)c[nH+]1 ZINC000552083070 341368151 /nfs/dbraw/zinc/36/81/51/341368151.db2.gz QCXNMUFYTUVGIW-UHFFFAOYSA-N 2 2 304.384 4.224 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247673603 341368869 /nfs/dbraw/zinc/36/88/69/341368869.db2.gz RCMGEKPWOLWMPR-IIYDPXPESA-N 2 2 321.827 4.320 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247673603 341368870 /nfs/dbraw/zinc/36/88/70/341368870.db2.gz RCMGEKPWOLWMPR-IIYDPXPESA-N 2 2 321.827 4.320 20 0 DIADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000552091399 341369007 /nfs/dbraw/zinc/36/90/07/341369007.db2.gz LIMGTCDNASNZDU-UHFFFAOYSA-N 2 2 322.493 4.044 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000091306988 341424569 /nfs/dbraw/zinc/42/45/69/341424569.db2.gz GYZCUXRDAXCXJC-HXUWFJFHSA-N 2 2 305.425 4.359 20 0 DIADLP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000566720433 341566229 /nfs/dbraw/zinc/56/62/29/341566229.db2.gz CXNRSCLUFCOKRM-CVEARBPZSA-N 2 2 303.494 4.021 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1F ZINC000153580194 341575346 /nfs/dbraw/zinc/57/53/46/341575346.db2.gz JPXDNTOHYGBQLQ-ZDUSSCGKSA-N 2 2 308.416 4.022 20 0 DIADLP CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000567100091 341579918 /nfs/dbraw/zinc/57/99/18/341579918.db2.gz PTIPBVMDSZLQBU-YLJYHZDGSA-N 2 2 311.473 4.380 20 0 DIADLP Clc1cccc(Cl)c1[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000567243398 341590930 /nfs/dbraw/zinc/59/09/30/341590930.db2.gz LRUYLHPQYJDKOA-MRXNPFEDSA-N 2 2 324.255 4.321 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3cc4ccccc4o3)n2c1 ZINC000155685841 341611391 /nfs/dbraw/zinc/61/13/91/341611391.db2.gz YGMRSKKEUNURCS-CQSZACIVSA-N 2 2 305.381 4.240 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000315179508 341655144 /nfs/dbraw/zinc/65/51/44/341655144.db2.gz XVOKGOJZVYSEQY-ZDUSSCGKSA-N 2 2 311.351 4.033 20 0 DIADLP CCCOc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000177829688 341938265 /nfs/dbraw/zinc/93/82/65/341938265.db2.gz DOGFIPOFTJGMLC-INIZCTEOSA-N 2 2 323.440 4.016 20 0 DIADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423362241 518180348 /nfs/dbraw/zinc/18/03/48/518180348.db2.gz AZTHHKDRKCNPIO-FBIMIBRVSA-N 2 2 319.301 4.020 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccn1 ZINC000162837292 519248284 /nfs/dbraw/zinc/24/82/84/519248284.db2.gz CFZBLMYIQSACJR-GOSISDBHSA-N 2 2 312.461 4.046 20 0 DIADLP CCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000338181302 519856693 /nfs/dbraw/zinc/85/66/93/519856693.db2.gz RZMIMQNUUBQQNL-UHFFFAOYSA-N 2 2 301.409 4.070 20 0 DIADLP CC(C)c1[nH+]ccn1Cc1ccc(Cn2cc[nH+]c2C(C)C)cc1 ZINC000182842957 519880185 /nfs/dbraw/zinc/88/01/85/519880185.db2.gz LGICMXLCSICTLL-UHFFFAOYSA-N 2 2 322.456 4.423 20 0 DIADLP CC1=C(c2ccco2)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000338346155 520846788 /nfs/dbraw/zinc/84/67/88/520846788.db2.gz VDDDAIDVCUAWRR-UHFFFAOYSA-N 2 2 319.408 4.145 20 0 DIADLP CC1=C(c2ccco2)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000338346155 520846794 /nfs/dbraw/zinc/84/67/94/520846794.db2.gz VDDDAIDVCUAWRR-UHFFFAOYSA-N 2 2 319.408 4.145 20 0 DIADLP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(OC)cc1 ZINC000156168994 522586689 /nfs/dbraw/zinc/58/66/89/522586689.db2.gz USARSDHRKNWVTF-KRWDZBQOSA-N 2 2 323.440 4.245 20 0 DIADLP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181756095 523041506 /nfs/dbraw/zinc/04/15/06/523041506.db2.gz MAYSYZAKGKLWDO-ZWOKBUDYSA-N 2 2 315.505 4.165 20 0 DIADLP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000339265033 524872823 /nfs/dbraw/zinc/87/28/23/524872823.db2.gz ONACLXMLNSTDRZ-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP C[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1c1ccccc1 ZINC000339448859 525265915 /nfs/dbraw/zinc/26/59/15/525265915.db2.gz KIMKTKIDKIANOU-RBUKOAKNSA-N 2 2 323.465 4.217 20 0 DIADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC000339447362 525266863 /nfs/dbraw/zinc/26/68/63/525266863.db2.gz HPCFJVDUHMHEOT-LEWJYISDSA-N 2 2 317.436 4.156 20 0 DIADLP C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182236088 525285860 /nfs/dbraw/zinc/28/58/60/525285860.db2.gz AGSJENFWKASPBU-HNNXBMFYSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000119724060 525294267 /nfs/dbraw/zinc/29/42/67/525294267.db2.gz PVAJDQGQSYCXHY-HNNXBMFYSA-N 2 2 310.441 4.224 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2cc(Cl)ccc2o1 ZINC000181389711 525445757 /nfs/dbraw/zinc/44/57/57/525445757.db2.gz XRGDBYOKWOSIFA-GFCCVEGCSA-N 2 2 303.793 4.024 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191581 525619773 /nfs/dbraw/zinc/61/97/73/525619773.db2.gz KEFNHAKEMFWBBT-FPMFFAJLSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000130191581 525619779 /nfs/dbraw/zinc/61/97/79/525619779.db2.gz KEFNHAKEMFWBBT-FPMFFAJLSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266728217 526040231 /nfs/dbraw/zinc/04/02/31/526040231.db2.gz IWHWKJQJPGUQSE-LBPRGKRZSA-N 2 2 323.362 4.369 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965679 526048081 /nfs/dbraw/zinc/04/80/81/526048081.db2.gz YDMKYCVTSCZJSI-WCQYABFASA-N 2 2 307.800 4.143 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965679 526048087 /nfs/dbraw/zinc/04/80/87/526048087.db2.gz YDMKYCVTSCZJSI-WCQYABFASA-N 2 2 307.800 4.143 20 0 DIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266762735 526182596 /nfs/dbraw/zinc/18/25/96/526182596.db2.gz QLQINZCKOOVNNK-CQSZACIVSA-N 2 2 322.412 4.005 20 0 DIADLP Cc1sccc1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000339174610 526914988 /nfs/dbraw/zinc/91/49/88/526914988.db2.gz VNRNWSOUMNQFRS-OAHLLOKOSA-N 2 2 306.500 4.045 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000129456875 527677624 /nfs/dbraw/zinc/67/76/24/527677624.db2.gz QQMKCAHHZCHINB-HUUCEWRRSA-N 2 2 323.362 4.083 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000683107520 1035540113 /nfs/dbraw/zinc/54/01/13/1035540113.db2.gz NBCWKFOMIULRFH-GOSISDBHSA-N 2 2 309.457 4.016 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccoc2)c(C)c1 ZINC000537951024 1036171688 /nfs/dbraw/zinc/17/16/88/1036171688.db2.gz WDSKBWNBSHQGDA-VQIMIIECSA-N 2 2 309.413 4.185 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)sc1Cl ZINC000222565948 1036225161 /nfs/dbraw/zinc/22/51/61/1036225161.db2.gz CCBWXMZUZNPSBF-SNVBAGLBSA-N 2 2 318.273 4.382 20 0 DIADLP C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000828766639 1036266496 /nfs/dbraw/zinc/26/64/96/1036266496.db2.gz UMAXDIOOOIIILZ-SWLSCSKDSA-N 2 2 324.255 4.107 20 0 DIADLP c1cn(CCCC2CC[NH+]([C@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000683785400 1036923143 /nfs/dbraw/zinc/92/31/43/1036923143.db2.gz RAKCHCZTQFBYPD-FQEVSTJZSA-N 2 2 309.457 4.063 20 0 DIADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580920999 1037360268 /nfs/dbraw/zinc/36/02/68/1037360268.db2.gz AQHMOHXPDLDJCU-VQTJNVASSA-N 2 2 311.473 4.236 20 0 DIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000580930235 1037368882 /nfs/dbraw/zinc/36/88/82/1037368882.db2.gz PEXRCCJZHVDVOV-MRXNPFEDSA-N 2 2 321.534 4.107 20 0 DIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000580930235 1037368897 /nfs/dbraw/zinc/36/88/97/1037368897.db2.gz PEXRCCJZHVDVOV-MRXNPFEDSA-N 2 2 321.534 4.107 20 0 DIADLP Cc1ccc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979292 1037394596 /nfs/dbraw/zinc/39/45/96/1037394596.db2.gz PADJRARPRAFMIY-QFBILLFUSA-N 2 2 309.457 4.021 20 0 DIADLP Cc1ccc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000580979292 1037394606 /nfs/dbraw/zinc/39/46/06/1037394606.db2.gz PADJRARPRAFMIY-QFBILLFUSA-N 2 2 309.457 4.021 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100160 1037435082 /nfs/dbraw/zinc/43/50/82/1037435082.db2.gz QYJQUUZYWSFIDY-IAGOWNOFSA-N 2 2 304.478 4.002 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100160 1037435091 /nfs/dbraw/zinc/43/50/91/1037435091.db2.gz QYJQUUZYWSFIDY-IAGOWNOFSA-N 2 2 304.478 4.002 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C/C(Cl)=C\Cl)cc1 ZINC000588420574 1037828162 /nfs/dbraw/zinc/82/81/62/1037828162.db2.gz OEQCWORAGRIVJE-ZECSTPGPSA-N 2 2 310.228 4.150 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489820853 1038228035 /nfs/dbraw/zinc/22/80/35/1038228035.db2.gz WDLYQGGWBPZPPF-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000489820853 1038228046 /nfs/dbraw/zinc/22/80/46/1038228046.db2.gz WDLYQGGWBPZPPF-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000489820853 1038228061 /nfs/dbraw/zinc/22/80/61/1038228061.db2.gz WDLYQGGWBPZPPF-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000489820853 1038228074 /nfs/dbraw/zinc/22/80/74/1038228074.db2.gz WDLYQGGWBPZPPF-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP FC(F)(F)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000341998623 1038363680 /nfs/dbraw/zinc/36/36/80/1038363680.db2.gz UWHIBGMQZUXTMC-UHFFFAOYSA-N 2 2 323.362 4.037 20 0 DIADLP FC(F)(F)c1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCC2)c1 ZINC000342024977 1038367630 /nfs/dbraw/zinc/36/76/30/1038367630.db2.gz SZUSSYGHLFBDLN-INIZCTEOSA-N 2 2 323.362 4.033 20 0 DIADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000151128015 1038432659 /nfs/dbraw/zinc/43/26/59/1038432659.db2.gz LFUWQKAUUOPQAN-HXUWFJFHSA-N 2 2 323.440 4.176 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000151328577 1038437823 /nfs/dbraw/zinc/43/78/23/1038437823.db2.gz QMGGQFHELZRTOV-KRWDZBQOSA-N 2 2 311.454 4.234 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000684664000 1038481916 /nfs/dbraw/zinc/48/19/16/1038481916.db2.gz JKZQGEZJOBVVCZ-IAGOWNOFSA-N 2 2 322.443 4.065 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000684664000 1038481922 /nfs/dbraw/zinc/48/19/22/1038481922.db2.gz JKZQGEZJOBVVCZ-IAGOWNOFSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1csc(Cl)c1 ZINC000230408308 1038565692 /nfs/dbraw/zinc/56/56/92/1038565692.db2.gz DXXVQWCRGBYVKU-AAEUAGOBSA-N 2 2 311.882 4.364 20 0 DIADLP C[C@@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)Cn1cc[nH+]c1 ZINC000657334331 1038577060 /nfs/dbraw/zinc/57/70/60/1038577060.db2.gz WBUDNDLVZDBHQB-HNNXBMFYSA-N 2 2 311.454 4.038 20 0 DIADLP c1cn(CC[N@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c[nH+]1 ZINC001167550171 1038590561 /nfs/dbraw/zinc/59/05/61/1038590561.db2.gz RYURMXCMZYGOQJ-VQTJNVASSA-N 2 2 315.505 4.487 20 0 DIADLP c1cn(CC[N@@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c[nH+]1 ZINC001167550171 1038590568 /nfs/dbraw/zinc/59/05/68/1038590568.db2.gz RYURMXCMZYGOQJ-VQTJNVASSA-N 2 2 315.505 4.487 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)s1 ZINC000152227406 1038591970 /nfs/dbraw/zinc/59/19/70/1038591970.db2.gz JXVDNOHPCAOGDH-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000684772995 1038596776 /nfs/dbraw/zinc/59/67/76/1038596776.db2.gz UEYVXZRDYMOKBU-IBGZPJMESA-N 2 2 311.473 4.357 20 0 DIADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152272297 1038600447 /nfs/dbraw/zinc/60/04/47/1038600447.db2.gz QBLQMFKMEXBMAR-VBKZILBWSA-N 2 2 321.399 4.035 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000152266523 1038600745 /nfs/dbraw/zinc/60/07/45/1038600745.db2.gz ZTWJTCPRBVBZOU-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000606471428 1038606701 /nfs/dbraw/zinc/60/67/01/1038606701.db2.gz HZFJTVZYNYQJOX-INIZCTEOSA-N 2 2 323.415 4.213 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@H]1c1ccccc1 ZINC000582291545 1038628706 /nfs/dbraw/zinc/62/87/06/1038628706.db2.gz IAGKPUNVXDWPPJ-UXHICEINSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[C@H]1c1ccccc1 ZINC000582291545 1038628707 /nfs/dbraw/zinc/62/87/07/1038628707.db2.gz IAGKPUNVXDWPPJ-UXHICEINSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+](CCCSc1ccccc1Cl)CCCn1cc[nH+]c1 ZINC000342532795 1038657275 /nfs/dbraw/zinc/65/72/75/1038657275.db2.gz QTRVJLLSYQDOTG-UHFFFAOYSA-N 2 2 323.893 4.041 20 0 DIADLP C[N@@H+](CCCSc1ccccc1Cl)CCCn1cc[nH+]c1 ZINC000342532795 1038657280 /nfs/dbraw/zinc/65/72/80/1038657280.db2.gz QTRVJLLSYQDOTG-UHFFFAOYSA-N 2 2 323.893 4.041 20 0 DIADLP CCc1ccc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001167572830 1038661394 /nfs/dbraw/zinc/66/13/94/1038661394.db2.gz QPWOSPPSBXSGQI-UHFFFAOYSA-N 2 2 319.452 4.436 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000608068934 1038763716 /nfs/dbraw/zinc/76/37/16/1038763716.db2.gz NRHICJFVFIDVAM-FQEVSTJZSA-N 2 2 319.452 4.111 20 0 DIADLP Cc1ccc(C)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608069045 1038764198 /nfs/dbraw/zinc/76/41/98/1038764198.db2.gz USYRSJUGQZDRQF-HXUWFJFHSA-N 2 2 319.452 4.111 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1 ZINC000608072916 1038765544 /nfs/dbraw/zinc/76/55/44/1038765544.db2.gz MJNYZNPWKHLSIQ-WUQYLLKWSA-N 2 2 317.436 4.007 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608565291 1038885207 /nfs/dbraw/zinc/88/52/07/1038885207.db2.gz MZPZQPNNGUZFMY-JKSUJKDBSA-N 2 2 306.881 4.209 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608565291 1038885234 /nfs/dbraw/zinc/88/52/34/1038885234.db2.gz MZPZQPNNGUZFMY-JKSUJKDBSA-N 2 2 306.881 4.209 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608565288 1038887925 /nfs/dbraw/zinc/88/79/25/1038887925.db2.gz MZPZQPNNGUZFMY-CVEARBPZSA-N 2 2 306.881 4.209 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608565288 1038887951 /nfs/dbraw/zinc/88/79/51/1038887951.db2.gz MZPZQPNNGUZFMY-CVEARBPZSA-N 2 2 306.881 4.209 20 0 DIADLP CC[C@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000539493772 1039267613 /nfs/dbraw/zinc/26/76/13/1039267613.db2.gz PUYAPBZMEJHZEW-YOEHRIQHSA-N 2 2 305.853 4.304 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821353 1039347536 /nfs/dbraw/zinc/34/75/36/1039347536.db2.gz ALYWBHRZOITOGT-AWEZNQCLSA-N 2 2 320.864 4.250 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821353 1039347549 /nfs/dbraw/zinc/34/75/49/1039347549.db2.gz ALYWBHRZOITOGT-AWEZNQCLSA-N 2 2 320.864 4.250 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821353 1039347559 /nfs/dbraw/zinc/34/75/59/1039347559.db2.gz ALYWBHRZOITOGT-AWEZNQCLSA-N 2 2 320.864 4.250 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000539821353 1039347578 /nfs/dbraw/zinc/34/75/78/1039347578.db2.gz ALYWBHRZOITOGT-AWEZNQCLSA-N 2 2 320.864 4.250 20 0 DIADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000151153181 1039465306 /nfs/dbraw/zinc/46/53/06/1039465306.db2.gz YREXDIGKOJWWJV-HNNXBMFYSA-N 2 2 323.893 4.087 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000540286774 1039466090 /nfs/dbraw/zinc/46/60/90/1039466090.db2.gz NJBHFADDWURZGI-RBSFLKMASA-N 2 2 315.486 4.138 20 0 DIADLP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151319167 1039539982 /nfs/dbraw/zinc/53/99/82/1039539982.db2.gz LIKLLESQPVEYDH-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673042 1039626902 /nfs/dbraw/zinc/62/69/02/1039626902.db2.gz MERJSTKISBFWTR-MGPUTAFESA-N 2 2 303.409 4.210 20 0 DIADLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000541536115 1039697021 /nfs/dbraw/zinc/69/70/21/1039697021.db2.gz YXUURXHFMMAWOB-UHFFFAOYSA-N 2 2 303.475 4.477 20 0 DIADLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000541536115 1039697033 /nfs/dbraw/zinc/69/70/33/1039697033.db2.gz YXUURXHFMMAWOB-UHFFFAOYSA-N 2 2 303.475 4.477 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000628199607 1039727831 /nfs/dbraw/zinc/72/78/31/1039727831.db2.gz ZSKDJOIUKXUYFJ-YOEHRIQHSA-N 2 2 310.432 4.093 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000088511424 1039768999 /nfs/dbraw/zinc/76/89/99/1039768999.db2.gz FMEIVMHPFIKXHS-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP C[C@H]([NH2+]CCSc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542010755 1039778880 /nfs/dbraw/zinc/77/88/80/1039778880.db2.gz CKLULTIZYHOTKH-INIZCTEOSA-N 2 2 323.465 4.315 20 0 DIADLP C[NH+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000491411571 1039844116 /nfs/dbraw/zinc/84/41/16/1039844116.db2.gz YIFOIPSAHHYJNJ-GOSISDBHSA-N 2 2 320.839 4.110 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000093115808 1039897682 /nfs/dbraw/zinc/89/76/82/1039897682.db2.gz PMIRMJGJIMTIMI-FQEVSTJZSA-N 2 2 321.399 4.179 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000144756352 1039950009 /nfs/dbraw/zinc/95/00/09/1039950009.db2.gz GQQDVCBVASWLRX-QGZVFWFLSA-N 2 2 321.424 4.416 20 0 DIADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000204334002 1039975760 /nfs/dbraw/zinc/97/57/60/1039975760.db2.gz JQPCIKQLDXDGKB-OAHLLOKOSA-N 2 2 320.440 4.200 20 0 DIADLP Cc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658338364 1040430059 /nfs/dbraw/zinc/43/00/59/1040430059.db2.gz LELUSIBKIGNSTQ-FQEVSTJZSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414064233 1040811162 /nfs/dbraw/zinc/81/11/62/1040811162.db2.gz NIOLHHHOTFCWGO-KYJSFNMBSA-N 2 2 317.864 4.241 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000414074198 1040824153 /nfs/dbraw/zinc/82/41/53/1040824153.db2.gz NQWUCJSVNVVKSJ-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464486 1040935911 /nfs/dbraw/zinc/93/59/11/1040935911.db2.gz OVNAXGKQCFUCLO-XLIONFOSSA-N 2 2 323.484 4.033 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464486 1040935932 /nfs/dbraw/zinc/93/59/32/1040935932.db2.gz OVNAXGKQCFUCLO-XLIONFOSSA-N 2 2 323.484 4.033 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)s1 ZINC000809559047 1041187193 /nfs/dbraw/zinc/18/71/93/1041187193.db2.gz YJELXWAIBSBRGK-INIZCTEOSA-N 2 2 321.534 4.140 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2CC2CCCCC2)s1 ZINC000809559047 1041187206 /nfs/dbraw/zinc/18/72/06/1041187206.db2.gz YJELXWAIBSBRGK-INIZCTEOSA-N 2 2 321.534 4.140 20 0 DIADLP C[C@@H]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301900372 1041256103 /nfs/dbraw/zinc/25/61/03/1041256103.db2.gz YZTWYLBVJXQJNG-NVXWUHKLSA-N 2 2 320.440 4.028 20 0 DIADLP C[C@@H]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301900372 1041256119 /nfs/dbraw/zinc/25/61/19/1041256119.db2.gz YZTWYLBVJXQJNG-NVXWUHKLSA-N 2 2 320.440 4.028 20 0 DIADLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000195439464 1041807943 /nfs/dbraw/zinc/80/79/43/1041807943.db2.gz ORWQBKBPNSRIMR-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP CCc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000651724472 1041896418 /nfs/dbraw/zinc/89/64/18/1041896418.db2.gz WEPNXIMAZGNCFT-FQEVSTJZSA-N 2 2 319.452 4.056 20 0 DIADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000815574594 1041972433 /nfs/dbraw/zinc/97/24/33/1041972433.db2.gz VYJRFKTUTLFAFI-OAHLLOKOSA-N 2 2 301.409 4.072 20 0 DIADLP CCC(CC)C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709636876 1042038952 /nfs/dbraw/zinc/03/89/52/1042038952.db2.gz OHRNGMQZTCIXBQ-HXUWFJFHSA-N 2 2 302.506 4.457 20 0 DIADLP CCC(CC)C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709636876 1042038958 /nfs/dbraw/zinc/03/89/58/1042038958.db2.gz OHRNGMQZTCIXBQ-HXUWFJFHSA-N 2 2 302.506 4.457 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000317173301 1042213569 /nfs/dbraw/zinc/21/35/69/1042213569.db2.gz OWJJVILQTAKQLM-OAHLLOKOSA-N 2 2 307.388 4.025 20 0 DIADLP CC1CC[NH+](CCC[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000021031704 1042288165 /nfs/dbraw/zinc/28/81/65/1042288165.db2.gz HSFVDQUBEMEWAT-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(OC)c1 ZINC000162843208 1042297824 /nfs/dbraw/zinc/29/78/24/1042297824.db2.gz HVOVOUGKJFMILO-SFHVURJKSA-N 2 2 313.445 4.023 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1OC ZINC000162910353 1042300667 /nfs/dbraw/zinc/30/06/67/1042300667.db2.gz XWOPNXTYLDOUSD-KRWDZBQOSA-N 2 2 313.445 4.023 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320342345 1042374908 /nfs/dbraw/zinc/37/49/08/1042374908.db2.gz OORVGTWVSAIDCW-IAGOWNOFSA-N 2 2 305.425 4.327 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000152244164 1042437564 /nfs/dbraw/zinc/43/75/64/1042437564.db2.gz TZGIMRQPGBUYCA-CQSZACIVSA-N 2 2 323.465 4.273 20 0 DIADLP C[N@H+](Cc1ccc(Cl)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513451500 1042543563 /nfs/dbraw/zinc/54/35/63/1042543563.db2.gz RASOYVLRGJJHLB-UHFFFAOYSA-N 2 2 318.848 4.029 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513451500 1042543571 /nfs/dbraw/zinc/54/35/71/1042543571.db2.gz RASOYVLRGJJHLB-UHFFFAOYSA-N 2 2 318.848 4.029 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc2cc(Cl)ccc2o1 ZINC000271865916 1042670884 /nfs/dbraw/zinc/67/08/84/1042670884.db2.gz LKIYDRINXQXJPP-NWDGAFQWSA-N 2 2 303.793 4.022 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000271865915 1042671079 /nfs/dbraw/zinc/67/10/79/1042671079.db2.gz LKIYDRINXQXJPP-NEPJUHHUSA-N 2 2 303.793 4.022 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053856 1042681336 /nfs/dbraw/zinc/68/13/36/1042681336.db2.gz WUNRFEWPXOFUEV-YHELAOLJSA-N 2 2 312.501 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053856 1042681338 /nfs/dbraw/zinc/68/13/38/1042681338.db2.gz WUNRFEWPXOFUEV-YHELAOLJSA-N 2 2 312.501 4.065 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)c2ccccc21 ZINC000422697467 1042687736 /nfs/dbraw/zinc/68/77/36/1042687736.db2.gz URADLVWASHRUTG-WOJBJXKFSA-N 2 2 322.452 4.242 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)c2ccccc21 ZINC000422697465 1042687826 /nfs/dbraw/zinc/68/78/26/1042687826.db2.gz URADLVWASHRUTG-UXHICEINSA-N 2 2 322.452 4.242 20 0 DIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422785029 1042689751 /nfs/dbraw/zinc/68/97/51/1042689751.db2.gz QMQLOFAFUAXWTB-GUXCAODWSA-N 2 2 324.468 4.153 20 0 DIADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422883376 1042691555 /nfs/dbraw/zinc/69/15/55/1042691555.db2.gz UZEBMZKYTVIOLA-QYZOEREBSA-N 2 2 310.441 4.271 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)c2ccccc21 ZINC000423118754 1042697708 /nfs/dbraw/zinc/69/77/08/1042697708.db2.gz AEEMOJQMNZYWSF-MCIONIFRSA-N 2 2 304.846 4.123 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423177050 1042699281 /nfs/dbraw/zinc/69/92/81/1042699281.db2.gz DORZHDQOUPPSFC-MRVPVSSYSA-N 2 2 307.652 4.049 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000423230946 1042702038 /nfs/dbraw/zinc/70/20/38/1042702038.db2.gz ABIRMSKXAPHGQK-SFTDATJTSA-N 2 2 323.484 4.336 20 0 DIADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423241197 1042702201 /nfs/dbraw/zinc/70/22/01/1042702201.db2.gz LCXJJMHRCAKEFO-KSSFIOAISA-N 2 2 300.471 4.149 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](c2cccnc2)C(C)C)cc1 ZINC000423247157 1042702867 /nfs/dbraw/zinc/70/28/67/1042702867.db2.gz QDLZSNAUCQFDHR-WOJBJXKFSA-N 2 2 311.473 4.192 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423250110 1042703321 /nfs/dbraw/zinc/70/33/21/1042703321.db2.gz UQBGZECZUYOZFB-WMLDXEAASA-N 2 2 300.471 4.149 20 0 DIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423247160 1042703395 /nfs/dbraw/zinc/70/33/95/1042703395.db2.gz QDUKLAJLNIQOIS-MHEUCROKSA-N 2 2 320.889 4.183 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](c2cccnc2)C(C)C)cc1 ZINC000423247155 1042703466 /nfs/dbraw/zinc/70/34/66/1042703466.db2.gz QDLZSNAUCQFDHR-UXHICEINSA-N 2 2 311.473 4.192 20 0 DIADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423246708 1042703636 /nfs/dbraw/zinc/70/36/36/1042703636.db2.gz PUIZBMRHOYYBRO-IRXDYDNUSA-N 2 2 320.383 4.029 20 0 DIADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423296131 1042705643 /nfs/dbraw/zinc/70/56/43/1042705643.db2.gz GFIFFZVZRGFHRP-HZPDHXFCSA-N 2 2 313.445 4.042 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC[NH2+]1 ZINC000423378095 1042709166 /nfs/dbraw/zinc/70/91/66/1042709166.db2.gz MFGSWYAYFILZPC-FXPVBKGRSA-N 2 2 319.301 4.162 20 0 DIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423494568 1042716982 /nfs/dbraw/zinc/71/69/82/1042716982.db2.gz AXQKQSMAYCNMEP-DYVFJYSZSA-N 2 2 310.432 4.052 20 0 DIADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319806522 1042869190 /nfs/dbraw/zinc/86/91/90/1042869190.db2.gz IBXULNMTLGUVMB-CRAIPNDOSA-N 2 2 315.461 4.047 20 0 DIADLP CC(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000517542066 1042884813 /nfs/dbraw/zinc/88/48/13/1042884813.db2.gz MNQNNUAWWQDJKF-OAQYLSRUSA-N 2 2 319.452 4.402 20 0 DIADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)o1 ZINC000120708804 1043126713 /nfs/dbraw/zinc/12/67/13/1043126713.db2.gz VKKQQDVBXUJXDN-INIZCTEOSA-N 2 2 312.457 4.212 20 0 DIADLP C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353959314 1043295012 /nfs/dbraw/zinc/29/50/12/1043295012.db2.gz UCRZZFDUHZGJQI-CYBMUJFWSA-N 2 2 323.362 4.256 20 0 DIADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)CC2 ZINC000427875135 1043309613 /nfs/dbraw/zinc/30/96/13/1043309613.db2.gz JGTJJTQXGHVPPB-UYAOXDASSA-N 2 2 309.457 4.109 20 0 DIADLP CC(C)C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427873766 1043310051 /nfs/dbraw/zinc/31/00/51/1043310051.db2.gz HEAZRZVJHAMGNP-DLBZAZTESA-N 2 2 317.864 4.228 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000268747891 1043327636 /nfs/dbraw/zinc/32/76/36/1043327636.db2.gz GJFXCVFLSQTGIH-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000268763535 1043328457 /nfs/dbraw/zinc/32/84/57/1043328457.db2.gz MQCCHEIYASMCEX-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000268789983 1043330562 /nfs/dbraw/zinc/33/05/62/1043330562.db2.gz XLJXSZDEBASISB-HXUWFJFHSA-N 2 2 305.425 4.172 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268802858 1043333652 /nfs/dbraw/zinc/33/36/52/1043333652.db2.gz IDJHQZNXAXULAJ-HUUCEWRRSA-N 2 2 303.475 4.123 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1F ZINC000269010016 1043349824 /nfs/dbraw/zinc/34/98/24/1043349824.db2.gz NLMFBPLWJDZUSD-SFHVURJKSA-N 2 2 308.416 4.022 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000442640318 1043397390 /nfs/dbraw/zinc/39/73/90/1043397390.db2.gz ASZOIIMYWBUAGG-DAWZGUTISA-N 2 2 324.459 4.483 20 0 DIADLP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000872029610 1043426582 /nfs/dbraw/zinc/42/65/82/1043426582.db2.gz YNCBSOWUIWWBOT-CQSZACIVSA-N 2 2 311.351 4.083 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)(C)CC ZINC000872052880 1043437764 /nfs/dbraw/zinc/43/77/64/1043437764.db2.gz RHYTYSUJYONFFN-VQIMIIECSA-N 2 2 317.521 4.411 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)(C)CC ZINC000872052877 1043437812 /nfs/dbraw/zinc/43/78/12/1043437812.db2.gz RHYTYSUJYONFFN-APWZRJJASA-N 2 2 317.521 4.411 20 0 DIADLP C[C@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(C)(C)C ZINC000443191287 1043508049 /nfs/dbraw/zinc/50/80/49/1043508049.db2.gz HDUCXMGSPJVZJN-MRXNPFEDSA-N 2 2 303.494 4.102 20 0 DIADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000717977021 1043533210 /nfs/dbraw/zinc/53/32/10/1043533210.db2.gz MJNPSMUXHGJHMA-NSISKUIASA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000717977021 1043533218 /nfs/dbraw/zinc/53/32/18/1043533218.db2.gz MJNPSMUXHGJHMA-NSISKUIASA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000718014593 1043548095 /nfs/dbraw/zinc/54/80/95/1043548095.db2.gz CKSDKXBEZURTEM-SGLNWRHMSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000718014593 1043548111 /nfs/dbraw/zinc/54/81/11/1043548111.db2.gz CKSDKXBEZURTEM-SGLNWRHMSA-N 2 2 314.517 4.311 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000443419387 1043548826 /nfs/dbraw/zinc/54/88/26/1043548826.db2.gz VIWJIEMVWHXPTN-AWEZNQCLSA-N 2 2 323.362 4.117 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000443419387 1043548836 /nfs/dbraw/zinc/54/88/36/1043548836.db2.gz VIWJIEMVWHXPTN-AWEZNQCLSA-N 2 2 323.362 4.117 20 0 DIADLP Cc1cc(C)cc(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000718045097 1043555978 /nfs/dbraw/zinc/55/59/78/1043555978.db2.gz RSRJUVJBFGVNOL-QFIPXVFZSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1cc(C)cc(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000718045097 1043555987 /nfs/dbraw/zinc/55/59/87/1043555987.db2.gz RSRJUVJBFGVNOL-QFIPXVFZSA-N 2 2 322.496 4.304 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(C)c1 ZINC000353523431 1043613072 /nfs/dbraw/zinc/61/30/72/1043613072.db2.gz UGVMOHZLQJTYEN-FQEVSTJZSA-N 2 2 305.425 4.422 20 0 DIADLP CC(C)(C)C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000353610434 1043623490 /nfs/dbraw/zinc/62/34/90/1043623490.db2.gz MMLGYKWPJRGNOZ-YJBOKZPZSA-N 2 2 315.436 4.173 20 0 DIADLP CC(C)C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157395 1043673124 /nfs/dbraw/zinc/67/31/24/1043673124.db2.gz XGBKUUHIGTWSRF-MOPGFXCFSA-N 2 2 311.473 4.419 20 0 DIADLP CC(C)C[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157395 1043673128 /nfs/dbraw/zinc/67/31/28/1043673128.db2.gz XGBKUUHIGTWSRF-MOPGFXCFSA-N 2 2 311.473 4.419 20 0 DIADLP CC[C@H](C)[C@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692463 1043756176 /nfs/dbraw/zinc/75/61/76/1043756176.db2.gz BZOTWRHXBACIJD-IRXDYDNUSA-N 2 2 317.521 4.311 20 0 DIADLP c1cc(Oc2ccccc2)oc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000355672230 1043783372 /nfs/dbraw/zinc/78/33/72/1043783372.db2.gz RFPDXAIXXKQXAY-UHFFFAOYSA-N 2 2 323.396 4.059 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cc(Cl)ccc1OC ZINC000358092856 1044018826 /nfs/dbraw/zinc/01/88/26/1044018826.db2.gz XXMHPJHYOWXXRQ-KRWDZBQOSA-N 2 2 324.896 4.262 20 0 DIADLP FC1(F)CCC[C@H]1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570364 1044048744 /nfs/dbraw/zinc/04/87/44/1044048744.db2.gz UTOKPBSUUSVOEQ-IRXDYDNUSA-N 2 2 319.399 4.040 20 0 DIADLP FC1(F)CCC[C@@H]1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570363 1044049803 /nfs/dbraw/zinc/04/98/03/1044049803.db2.gz UTOKPBSUUSVOEQ-IAGOWNOFSA-N 2 2 319.399 4.040 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358310606 1044051684 /nfs/dbraw/zinc/05/16/84/1044051684.db2.gz YIAVZPISBYSGKO-HIFRSBDPSA-N 2 2 305.372 4.101 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000562104628 1044067958 /nfs/dbraw/zinc/06/79/58/1044067958.db2.gz VEPVDQKRJKEXDN-KBPBESRZSA-N 2 2 323.440 4.235 20 0 DIADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000291712331 1044096237 /nfs/dbraw/zinc/09/62/37/1044096237.db2.gz LMURSWIJYXJNOC-CYBMUJFWSA-N 2 2 321.877 4.030 20 0 DIADLP CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359348082 1044158719 /nfs/dbraw/zinc/15/87/19/1044158719.db2.gz UEUSDHYHYKZHKE-JKSUJKDBSA-N 2 2 320.440 4.242 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000359627445 1044183637 /nfs/dbraw/zinc/18/36/37/1044183637.db2.gz CKXHPGAHSDEHQP-CYBMUJFWSA-N 2 2 311.351 4.083 20 0 DIADLP Fc1cc(C[NH2+]Cc2ccc(C3CC3)cc2)ccc1-n1cc[nH+]c1 ZINC000359812471 1044203449 /nfs/dbraw/zinc/20/34/49/1044203449.db2.gz WGEQDLCTGGHLKL-UHFFFAOYSA-N 2 2 321.399 4.179 20 0 DIADLP c1cc(Oc2ccccc2)oc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360641827 1044294639 /nfs/dbraw/zinc/29/46/39/1044294639.db2.gz LVOUKWGKAHNISN-UHFFFAOYSA-N 2 2 323.396 4.175 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387573 1044300437 /nfs/dbraw/zinc/30/04/37/1044300437.db2.gz ZUXIPIMOHFAEHV-NHCUHLMSSA-N 2 2 317.436 4.210 20 0 DIADLP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689240 1044301056 /nfs/dbraw/zinc/30/10/56/1044301056.db2.gz KSMKBACOYMHBBH-BBRMVZONSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689240 1044301067 /nfs/dbraw/zinc/30/10/67/1044301067.db2.gz KSMKBACOYMHBBH-BBRMVZONSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689243 1044301779 /nfs/dbraw/zinc/30/17/79/1044301779.db2.gz KSMKBACOYMHBBH-XJKSGUPXSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360689243 1044301788 /nfs/dbraw/zinc/30/17/88/1044301788.db2.gz KSMKBACOYMHBBH-XJKSGUPXSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883398100 1044304406 /nfs/dbraw/zinc/30/44/06/1044304406.db2.gz CWIIEJZZEAEUPS-ATZDWAIDSA-N 2 2 321.424 4.131 20 0 DIADLP Cc1ccc2c(Nc3c[nH+]ccc3N3CCCC3)cccc2[nH+]1 ZINC001212796829 1044341861 /nfs/dbraw/zinc/34/18/61/1044341861.db2.gz GJTKBRKKYMSLJF-UHFFFAOYSA-N 2 2 304.397 4.282 20 0 DIADLP CC1(C)Cc2occc2[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000361031713 1044348321 /nfs/dbraw/zinc/34/83/21/1044348321.db2.gz FNQQCGIDEPWMNF-MRXNPFEDSA-N 2 2 313.445 4.170 20 0 DIADLP CCCC[C@H](CC)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475334485 1044373494 /nfs/dbraw/zinc/37/34/94/1044373494.db2.gz KYOIPINEQKWWQQ-FHERZECASA-N 2 2 320.443 4.350 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532465 1044389425 /nfs/dbraw/zinc/38/94/25/1044389425.db2.gz FPGUWXWTVVENID-FUHWJXTLSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=C[C@H](C)C[C@@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000564532465 1044389441 /nfs/dbraw/zinc/38/94/41/1044389441.db2.gz FPGUWXWTVVENID-FUHWJXTLSA-N 2 2 316.489 4.168 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCc4ccccc43)c2)c[nH+]1 ZINC000361482261 1044408299 /nfs/dbraw/zinc/40/82/99/1044408299.db2.gz WFSVSASZNNWPGB-HXUWFJFHSA-N 2 2 303.409 4.040 20 0 DIADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361492703 1044410807 /nfs/dbraw/zinc/41/08/07/1044410807.db2.gz LCVSLIYSQGHLPK-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@H]1CC([N@@H+]2CC3CCC2CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065692 1044411380 /nfs/dbraw/zinc/41/13/80/1044411380.db2.gz XROJGNFMWOTCHT-BEEJXANESA-N 2 2 312.501 4.302 20 0 DIADLP C[C@H]1CC([N@H+]2CC3CCC2CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065692 1044411389 /nfs/dbraw/zinc/41/13/89/1044411389.db2.gz XROJGNFMWOTCHT-BEEJXANESA-N 2 2 312.501 4.302 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795224 1044413611 /nfs/dbraw/zinc/41/36/11/1044413611.db2.gz XRWCGPYTRMEXPV-QGZVFWFLSA-N 2 2 303.837 4.325 20 0 DIADLP Cc1ccc2c(Nc3ccc(CC[NH+](C)C)cc3)cccc2[nH+]1 ZINC001212798232 1044440238 /nfs/dbraw/zinc/44/02/38/1044440238.db2.gz BEKFKZWHDZMZQC-UHFFFAOYSA-N 2 2 305.425 4.391 20 0 DIADLP CCSCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859176 1044452937 /nfs/dbraw/zinc/45/29/37/1044452937.db2.gz ATTXWYDPDNNLAH-MRXNPFEDSA-N 2 2 317.502 4.144 20 0 DIADLP CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859176 1044452944 /nfs/dbraw/zinc/45/29/44/1044452944.db2.gz ATTXWYDPDNNLAH-MRXNPFEDSA-N 2 2 317.502 4.144 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000361866017 1044453226 /nfs/dbraw/zinc/45/32/26/1044453226.db2.gz RRMWRWDOSDFHNB-MRXNPFEDSA-N 2 2 321.424 4.499 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000361866017 1044453232 /nfs/dbraw/zinc/45/32/32/1044453232.db2.gz RRMWRWDOSDFHNB-MRXNPFEDSA-N 2 2 321.424 4.499 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000361865099 1044453574 /nfs/dbraw/zinc/45/35/74/1044453574.db2.gz JZKKGXYWWIYVKK-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1F ZINC000120867776 1044515753 /nfs/dbraw/zinc/51/57/53/1044515753.db2.gz RLXQOUYKHRHMMD-LBPRGKRZSA-N 2 2 322.374 4.016 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362514138 1044522364 /nfs/dbraw/zinc/52/23/64/1044522364.db2.gz XLCIVRIBZPAIFY-KRWDZBQOSA-N 2 2 305.425 4.251 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362514138 1044522380 /nfs/dbraw/zinc/52/23/80/1044522380.db2.gz XLCIVRIBZPAIFY-KRWDZBQOSA-N 2 2 305.425 4.251 20 0 DIADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000567100090 1044541073 /nfs/dbraw/zinc/54/10/73/1044541073.db2.gz PTIPBVMDSZLQBU-XLIONFOSSA-N 2 2 311.473 4.380 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccsc2)cc1 ZINC000444653900 1044585033 /nfs/dbraw/zinc/58/50/33/1044585033.db2.gz NJKBZVNADWBGCS-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccsc2)cc1 ZINC000444653900 1044585048 /nfs/dbraw/zinc/58/50/48/1044585048.db2.gz NJKBZVNADWBGCS-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP Cc1cc[nH+]c2cc(Nc3cccc(OCC[NH+](C)C)c3)ccc12 ZINC001212808986 1044624662 /nfs/dbraw/zinc/62/46/62/1044624662.db2.gz QGMXHBJFBGIZFP-UHFFFAOYSA-N 2 2 321.424 4.227 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000569013753 1044667129 /nfs/dbraw/zinc/66/71/29/1044667129.db2.gz NHPJRUREBHJMNG-FXAWDEMLSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000569013753 1044667133 /nfs/dbraw/zinc/66/71/33/1044667133.db2.gz NHPJRUREBHJMNG-FXAWDEMLSA-N 2 2 324.443 4.240 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)CCC2 ZINC000366209540 1044714514 /nfs/dbraw/zinc/71/45/14/1044714514.db2.gz LGTUTCFORWJASY-QWHCGFSZSA-N 2 2 321.827 4.212 20 0 DIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cscc1C(F)(F)F ZINC000356132743 1044742013 /nfs/dbraw/zinc/74/20/13/1044742013.db2.gz WEKWFQLUOSLMCD-CYBMUJFWSA-N 2 2 320.424 4.073 20 0 DIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cscc1C(F)(F)F ZINC000356132743 1044742029 /nfs/dbraw/zinc/74/20/29/1044742029.db2.gz WEKWFQLUOSLMCD-CYBMUJFWSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cscc1C(F)(F)F ZINC000356132743 1044742044 /nfs/dbraw/zinc/74/20/44/1044742044.db2.gz WEKWFQLUOSLMCD-CYBMUJFWSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cscc1C(F)(F)F ZINC000356132743 1044742056 /nfs/dbraw/zinc/74/20/56/1044742056.db2.gz WEKWFQLUOSLMCD-CYBMUJFWSA-N 2 2 320.424 4.073 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCc3c4ccccc4sc31)C2 ZINC000571191462 1044801612 /nfs/dbraw/zinc/80/16/12/1044801612.db2.gz LSJDPVRRIRCVOS-BLLLJJGKSA-N 2 2 323.465 4.149 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCc3c4ccccc4sc31)C2 ZINC000571191464 1044802605 /nfs/dbraw/zinc/80/26/05/1044802605.db2.gz LSJDPVRRIRCVOS-MLGOLLRUSA-N 2 2 323.465 4.149 20 0 DIADLP CCc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000445770243 1044806638 /nfs/dbraw/zinc/80/66/38/1044806638.db2.gz ZYOHAOHSNJJQSS-UHFFFAOYSA-N 2 2 311.473 4.138 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](c3ccccc3)C1(C)C)CCC2 ZINC000369936144 1044821793 /nfs/dbraw/zinc/82/17/93/1044821793.db2.gz XTUVNCWRKZLEEZ-GBESFXJTSA-N 2 2 323.484 4.241 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000524773162 1044919054 /nfs/dbraw/zinc/91/90/54/1044919054.db2.gz QNNJBZVTAJPIJV-MAUKXSAKSA-N 2 2 312.457 4.081 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000524773162 1044919072 /nfs/dbraw/zinc/91/90/72/1044919072.db2.gz QNNJBZVTAJPIJV-MAUKXSAKSA-N 2 2 312.457 4.081 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337619190 1044927248 /nfs/dbraw/zinc/92/72/48/1044927248.db2.gz DFWIBVZTBUWIJJ-OAHLLOKOSA-N 2 2 309.388 4.204 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337619190 1044927259 /nfs/dbraw/zinc/92/72/59/1044927259.db2.gz DFWIBVZTBUWIJJ-OAHLLOKOSA-N 2 2 309.388 4.204 20 0 DIADLP Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000337636948 1044932746 /nfs/dbraw/zinc/93/27/46/1044932746.db2.gz UDKOHFJTLJIXJA-FQEVSTJZSA-N 2 2 321.399 4.349 20 0 DIADLP Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000337636948 1044932763 /nfs/dbraw/zinc/93/27/63/1044932763.db2.gz UDKOHFJTLJIXJA-FQEVSTJZSA-N 2 2 321.399 4.349 20 0 DIADLP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000151715220 1045030444 /nfs/dbraw/zinc/03/04/44/1045030444.db2.gz QCWYCIBZOIUOQU-HZPDHXFCSA-N 2 2 323.444 4.062 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151681169 1045030495 /nfs/dbraw/zinc/03/04/95/1045030495.db2.gz KYNVPHZFRXLQNM-CVEARBPZSA-N 2 2 321.424 4.293 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471700 1045060148 /nfs/dbraw/zinc/06/01/48/1045060148.db2.gz VKUOQCJXOXPKGO-HKUYNNGSSA-N 2 2 318.505 4.026 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471700 1045060157 /nfs/dbraw/zinc/06/01/57/1045060157.db2.gz VKUOQCJXOXPKGO-HKUYNNGSSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471700 1045060162 /nfs/dbraw/zinc/06/01/62/1045060162.db2.gz VKUOQCJXOXPKGO-HKUYNNGSSA-N 2 2 318.505 4.026 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(C)C)C[C@@H]1C ZINC000576471700 1045060174 /nfs/dbraw/zinc/06/01/74/1045060174.db2.gz VKUOQCJXOXPKGO-HKUYNNGSSA-N 2 2 318.505 4.026 20 0 DIADLP Clc1cc(Cl)cc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000447314551 1045118061 /nfs/dbraw/zinc/11/80/61/1045118061.db2.gz NCFOQNQHRLUDTK-CYBMUJFWSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1cc(Cl)cc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000447314551 1045118070 /nfs/dbraw/zinc/11/80/70/1045118070.db2.gz NCFOQNQHRLUDTK-CYBMUJFWSA-N 2 2 324.255 4.139 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1Cl ZINC000447319338 1045119727 /nfs/dbraw/zinc/11/97/27/1045119727.db2.gz PCGYQSJPUXUCGN-AAEUAGOBSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1Cl ZINC000447319338 1045119728 /nfs/dbraw/zinc/11/97/28/1045119728.db2.gz PCGYQSJPUXUCGN-AAEUAGOBSA-N 2 2 301.261 4.128 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000447352227 1045121707 /nfs/dbraw/zinc/12/17/07/1045121707.db2.gz YDBZKOHUMUULKC-QGZVFWFLSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000447352227 1045121717 /nfs/dbraw/zinc/12/17/17/1045121717.db2.gz YDBZKOHUMUULKC-QGZVFWFLSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000447352226 1045122161 /nfs/dbraw/zinc/12/21/61/1045122161.db2.gz YDBZKOHUMUULKC-KRWDZBQOSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000447352226 1045122166 /nfs/dbraw/zinc/12/21/66/1045122166.db2.gz YDBZKOHUMUULKC-KRWDZBQOSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000447728852 1045167852 /nfs/dbraw/zinc/16/78/52/1045167852.db2.gz NFUHRXQAGUPZEL-KRWDZBQOSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000447728852 1045167860 /nfs/dbraw/zinc/16/78/60/1045167860.db2.gz NFUHRXQAGUPZEL-KRWDZBQOSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H](c2oc3ccccc3c2C)C(C)C)n1C ZINC000578144202 1045213352 /nfs/dbraw/zinc/21/33/52/1045213352.db2.gz LHZLSLBFTOEGDN-GOSISDBHSA-N 2 2 311.429 4.270 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000527521119 1045233174 /nfs/dbraw/zinc/23/31/74/1045233174.db2.gz SIHOAJIRXRRSBA-MELADBBJSA-N 2 2 323.893 4.160 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527751845 1045259485 /nfs/dbraw/zinc/25/94/85/1045259485.db2.gz ICCQWFHRBVBGHR-FMKPAKJESA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527751845 1045259495 /nfs/dbraw/zinc/25/94/95/1045259495.db2.gz ICCQWFHRBVBGHR-FMKPAKJESA-N 2 2 318.427 4.104 20 0 DIADLP Cc1cccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C(C)C)c1 ZINC000527852917 1045268697 /nfs/dbraw/zinc/26/86/97/1045268697.db2.gz SKMHUORLIWAGCD-FQEVSTJZSA-N 2 2 311.473 4.057 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1cccc(C)c1)C(C)C)CCC2 ZINC000527862232 1045269912 /nfs/dbraw/zinc/26/99/12/1045269912.db2.gz HXHRRBMRGYOZGS-RBUKOAKNSA-N 2 2 311.473 4.364 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000527863323 1045270082 /nfs/dbraw/zinc/27/00/82/1045270082.db2.gz JGNUTHSUBQKPFO-RBUKOAKNSA-N 2 2 311.473 4.070 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)[C@H]2CC23CC3)c(C)c1 ZINC000527875126 1045275217 /nfs/dbraw/zinc/27/52/17/1045275217.db2.gz KQPMFQDYMWEICB-UHOSZYNNSA-N 2 2 309.457 4.019 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ncccc2F)cc1 ZINC000528036069 1045295832 /nfs/dbraw/zinc/29/58/32/1045295832.db2.gz OMBMCXDVDPZQIR-KGLIPLIRSA-N 2 2 324.403 4.127 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccccn1 ZINC000449065981 1045339490 /nfs/dbraw/zinc/33/94/90/1045339490.db2.gz XYNWZFOEYUAOCB-MRXNPFEDSA-N 2 2 317.521 4.411 20 0 DIADLP Cc1ccc(F)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1Cl ZINC001206591524 1045343892 /nfs/dbraw/zinc/34/38/92/1045343892.db2.gz SKJHPVBLOCQDFS-AWEZNQCLSA-N 2 2 312.860 4.140 20 0 DIADLP Cc1ccc(F)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1Cl ZINC001206591524 1045343893 /nfs/dbraw/zinc/34/38/93/1045343893.db2.gz SKJHPVBLOCQDFS-AWEZNQCLSA-N 2 2 312.860 4.140 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449079352 1045345501 /nfs/dbraw/zinc/34/55/01/1045345501.db2.gz YHEAYITZJBZFTF-RDTXWAMCSA-N 2 2 315.848 4.151 20 0 DIADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCCNc1cccc[nH+]1 ZINC000449121434 1045349195 /nfs/dbraw/zinc/34/91/95/1045349195.db2.gz HTBLUVZEROWTMD-INIZCTEOSA-N 2 2 323.440 4.241 20 0 DIADLP COc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000449172206 1045354881 /nfs/dbraw/zinc/35/48/81/1045354881.db2.gz UZQWMIIONUFVMT-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP C/C(Cl)=C/C[N@@H+](C)[C@H]1CCC[NH+](C/C=C(/C)Cl)CC1 ZINC000528424390 1045356097 /nfs/dbraw/zinc/35/60/97/1045356097.db2.gz ZHJUMHUEBDXJIW-UKSCLDKRSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C/C[N@H+](C)[C@H]1CCC[NH+](C/C=C(/C)Cl)CC1 ZINC000528424390 1045356102 /nfs/dbraw/zinc/35/61/02/1045356102.db2.gz ZHJUMHUEBDXJIW-UKSCLDKRSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C/C[NH+](C)[C@H]1CCC[N@H+](C/C=C(/C)Cl)CC1 ZINC000528424390 1045356104 /nfs/dbraw/zinc/35/61/04/1045356104.db2.gz ZHJUMHUEBDXJIW-UKSCLDKRSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C/C[NH+](C)[C@H]1CCC[N@@H+](C/C=C(/C)Cl)CC1 ZINC000528424390 1045356108 /nfs/dbraw/zinc/35/61/08/1045356108.db2.gz ZHJUMHUEBDXJIW-UKSCLDKRSA-N 2 2 305.293 4.058 20 0 DIADLP C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464198 1045399757 /nfs/dbraw/zinc/39/97/57/1045399757.db2.gz XZVLXSYWVWRSDS-ZFWWWQNUSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449464198 1045399762 /nfs/dbraw/zinc/39/97/62/1045399762.db2.gz XZVLXSYWVWRSDS-ZFWWWQNUSA-N 2 2 323.362 4.035 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1Cl ZINC000450252878 1045479416 /nfs/dbraw/zinc/47/94/16/1045479416.db2.gz LAUNHOCFJYLOON-RYUDHWBXSA-N 2 2 319.811 4.066 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1Cl ZINC000450252878 1045479419 /nfs/dbraw/zinc/47/94/19/1045479419.db2.gz LAUNHOCFJYLOON-RYUDHWBXSA-N 2 2 319.811 4.066 20 0 DIADLP Clc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000450560290 1045518954 /nfs/dbraw/zinc/51/89/54/1045518954.db2.gz FDQHXQUTBIAXDD-GFCCVEGCSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1cccc(Cl)c1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000450560290 1045518963 /nfs/dbraw/zinc/51/89/63/1045518963.db2.gz FDQHXQUTBIAXDD-GFCCVEGCSA-N 2 2 324.255 4.139 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182853 1045536917 /nfs/dbraw/zinc/53/69/17/1045536917.db2.gz JYBAIYANYCURBN-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182853 1045536927 /nfs/dbraw/zinc/53/69/27/1045536927.db2.gz JYBAIYANYCURBN-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182853 1045536937 /nfs/dbraw/zinc/53/69/37/1045536937.db2.gz JYBAIYANYCURBN-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)C[C@@H]1C ZINC000628182853 1045536945 /nfs/dbraw/zinc/53/69/45/1045536945.db2.gz JYBAIYANYCURBN-AAEUAGOBSA-N 2 2 320.424 4.072 20 0 DIADLP FC(F)(F)c1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530221266 1045619801 /nfs/dbraw/zinc/61/98/01/1045619801.db2.gz PGLMZKZDQUHRGM-HZPDHXFCSA-N 2 2 324.390 4.031 20 0 DIADLP c1cn(Cc2ccc(-c3cccc([C@H]4CCC[NH2+]4)c3)cc2)c[nH+]1 ZINC000629741667 1045704488 /nfs/dbraw/zinc/70/44/88/1045704488.db2.gz DGOOMVTZOZAHLB-HXUWFJFHSA-N 2 2 303.409 4.023 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662269 1045710046 /nfs/dbraw/zinc/71/00/46/1045710046.db2.gz ROUVQXDRAGKOCW-KSSFIOAISA-N 2 2 310.432 4.080 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662269 1045710055 /nfs/dbraw/zinc/71/00/55/1045710055.db2.gz ROUVQXDRAGKOCW-KSSFIOAISA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662269 1045710069 /nfs/dbraw/zinc/71/00/69/1045710069.db2.gz ROUVQXDRAGKOCW-KSSFIOAISA-N 2 2 310.432 4.080 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](CC)c2ccc(F)cc2F)C1 ZINC000530662269 1045710080 /nfs/dbraw/zinc/71/00/80/1045710080.db2.gz ROUVQXDRAGKOCW-KSSFIOAISA-N 2 2 310.432 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000530863914 1045741855 /nfs/dbraw/zinc/74/18/55/1045741855.db2.gz RGJFFMUMLPKHDG-DNVCBOLYSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000530863914 1045741868 /nfs/dbraw/zinc/74/18/68/1045741868.db2.gz RGJFFMUMLPKHDG-DNVCBOLYSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000530863914 1045741879 /nfs/dbraw/zinc/74/18/79/1045741879.db2.gz RGJFFMUMLPKHDG-DNVCBOLYSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000530863914 1045741891 /nfs/dbraw/zinc/74/18/91/1045741891.db2.gz RGJFFMUMLPKHDG-DNVCBOLYSA-N 2 2 322.443 4.080 20 0 DIADLP C[NH+](C)CC(C)(C)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000630343253 1045749990 /nfs/dbraw/zinc/74/99/90/1045749990.db2.gz HZBXBEFCMZJYKO-UHFFFAOYSA-N 2 2 324.512 4.018 20 0 DIADLP CCC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(C)ccn1 ZINC000631576633 1045873745 /nfs/dbraw/zinc/87/37/45/1045873745.db2.gz XBQJPQKLHXXCMO-KRWDZBQOSA-N 2 2 312.461 4.108 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cs1 ZINC000453095997 1045934609 /nfs/dbraw/zinc/93/46/09/1045934609.db2.gz VOEANPOCFKTRSZ-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC000453101759 1045936670 /nfs/dbraw/zinc/93/66/70/1045936670.db2.gz ZHEFGKMWYGRMOP-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802301168 1045945399 /nfs/dbraw/zinc/94/53/99/1045945399.db2.gz NGBLXMQHNCFXMI-WNHJNPCNSA-N 2 2 311.473 4.080 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802301169 1045945784 /nfs/dbraw/zinc/94/57/84/1045945784.db2.gz NGBLXMQHNCFXMI-XGXHKWSGSA-N 2 2 311.473 4.080 20 0 DIADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000453162000 1045963576 /nfs/dbraw/zinc/96/35/76/1045963576.db2.gz BEBWLTNKJLCLBQ-APWZRJJASA-N 2 2 317.521 4.411 20 0 DIADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc12 ZINC001138016290 1046056629 /nfs/dbraw/zinc/05/66/29/1046056629.db2.gz DSMOHNXNQMHZMO-UHFFFAOYSA-N 2 2 305.425 4.182 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903020227 1046143623 /nfs/dbraw/zinc/14/36/23/1046143623.db2.gz WTIBECZKBUNKCD-QWHCGFSZSA-N 2 2 311.351 4.111 20 0 DIADLP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903193247 1046188958 /nfs/dbraw/zinc/18/89/58/1046188958.db2.gz VGABZSXJHPMMAO-VHRNVKJDSA-N 2 2 316.876 4.077 20 0 DIADLP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903193247 1046188967 /nfs/dbraw/zinc/18/89/67/1046188967.db2.gz VGABZSXJHPMMAO-VHRNVKJDSA-N 2 2 316.876 4.077 20 0 DIADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCc3cccc4cccc2c43)c1 ZINC000903197934 1046191490 /nfs/dbraw/zinc/19/14/90/1046191490.db2.gz XGADVCYCITUYDT-FQEVSTJZSA-N 2 2 317.436 4.078 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001142388394 1046278619 /nfs/dbraw/zinc/27/86/19/1046278619.db2.gz VNBGOPYXPDVTCP-UHFFFAOYSA-N 2 2 310.485 4.453 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001142388394 1046278627 /nfs/dbraw/zinc/27/86/27/1046278627.db2.gz VNBGOPYXPDVTCP-UHFFFAOYSA-N 2 2 310.485 4.453 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC([NH+](CC)CC)CC2)s1 ZINC001138756374 1046288107 /nfs/dbraw/zinc/28/81/07/1046288107.db2.gz BYXYINJZXSDSPW-UHFFFAOYSA-N 2 2 308.535 4.397 20 0 DIADLP c1ccc(N2CCC([NH2+]C3CCC(=C4CCC4)CC3)CC2)[nH+]c1 ZINC000638364162 1046316536 /nfs/dbraw/zinc/31/65/36/1046316536.db2.gz WEKDAYGBZHTRNH-UHFFFAOYSA-N 2 2 311.473 4.063 20 0 DIADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638406357 1046319288 /nfs/dbraw/zinc/31/92/88/1046319288.db2.gz GWMMACOWJJDARO-UYAOXDASSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638406357 1046319298 /nfs/dbraw/zinc/31/92/98/1046319298.db2.gz GWMMACOWJJDARO-UYAOXDASSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1occc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638406354 1046319734 /nfs/dbraw/zinc/31/97/34/1046319734.db2.gz GWMMACOWJJDARO-AZUAARDMSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1occc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638406354 1046319750 /nfs/dbraw/zinc/31/97/50/1046319750.db2.gz GWMMACOWJJDARO-AZUAARDMSA-N 2 2 310.441 4.046 20 0 DIADLP C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903884502 1046335400 /nfs/dbraw/zinc/33/54/00/1046335400.db2.gz BDTQRGULLPVXDP-HIFRSBDPSA-N 2 2 324.440 4.294 20 0 DIADLP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903884502 1046335412 /nfs/dbraw/zinc/33/54/12/1046335412.db2.gz BDTQRGULLPVXDP-HIFRSBDPSA-N 2 2 324.440 4.294 20 0 DIADLP CCCc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000676876577 1046443099 /nfs/dbraw/zinc/44/30/99/1046443099.db2.gz DUGWCKPTDDWBHG-KRWDZBQOSA-N 2 2 320.440 4.225 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139523202 1046461757 /nfs/dbraw/zinc/46/17/57/1046461757.db2.gz ZCEZDTKFSYWSSE-UHFFFAOYSA-N 2 2 323.484 4.053 20 0 DIADLP Cc1csc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC001137293834 1046483243 /nfs/dbraw/zinc/48/32/43/1046483243.db2.gz DFTFDONNHKNYSE-AWEZNQCLSA-N 2 2 322.861 4.148 20 0 DIADLP Cc1csc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC001137293834 1046483252 /nfs/dbraw/zinc/48/32/52/1046483252.db2.gz DFTFDONNHKNYSE-AWEZNQCLSA-N 2 2 322.861 4.148 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccccc2C(F)F)C2CCCC2)CC1 ZINC001139802176 1046521956 /nfs/dbraw/zinc/52/19/56/1046521956.db2.gz LBIVDXVTKDYEHK-UHFFFAOYSA-N 2 2 322.443 4.463 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccccc2C(F)F)C2CCCC2)CC1 ZINC001139802176 1046521962 /nfs/dbraw/zinc/52/19/62/1046521962.db2.gz LBIVDXVTKDYEHK-UHFFFAOYSA-N 2 2 322.443 4.463 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC001139890841 1046547915 /nfs/dbraw/zinc/54/79/15/1046547915.db2.gz GTVQEHDZNIRNHN-UHFFFAOYSA-N 2 2 314.448 4.285 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001140029738 1046571201 /nfs/dbraw/zinc/57/12/01/1046571201.db2.gz ROXOKULXNPSGMP-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001140029738 1046571215 /nfs/dbraw/zinc/57/12/15/1046571215.db2.gz ROXOKULXNPSGMP-UHFFFAOYSA-N 2 2 309.457 4.337 20 0 DIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194893639 1046588297 /nfs/dbraw/zinc/58/82/97/1046588297.db2.gz FRPWUQFNVGEHBS-DLBZAZTESA-N 2 2 324.468 4.268 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc(-n2cc[nH+]c2)c1 ZINC000237342956 1046596240 /nfs/dbraw/zinc/59/62/40/1046596240.db2.gz ODHNZGFWPAKGLM-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000245513122 1046609528 /nfs/dbraw/zinc/60/95/28/1046609528.db2.gz BUUWZYIHGDBLAX-KZNAEPCWSA-N 2 2 315.505 4.023 20 0 DIADLP C[C@@H](Cc1cccs1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000643524950 1046671442 /nfs/dbraw/zinc/67/14/42/1046671442.db2.gz AKVGFWGPAPFYKJ-LIRRHRJNSA-N 2 2 310.466 4.122 20 0 DIADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000678767397 1046696573 /nfs/dbraw/zinc/69/65/73/1046696573.db2.gz INYOZRVLASEMLR-KKSFZXQISA-N 2 2 317.436 4.286 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C)c1 ZINC000796718980 1046722680 /nfs/dbraw/zinc/72/26/80/1046722680.db2.gz YEIFDZOOESEZKS-FQEVSTJZSA-N 2 2 305.425 4.422 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1cc[nH+]c(SC)c1 ZINC001211991980 1046726082 /nfs/dbraw/zinc/72/60/82/1046726082.db2.gz XQBZCRPCFUDTDQ-UHFFFAOYSA-N 2 2 301.459 4.389 20 0 DIADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541441 1046862735 /nfs/dbraw/zinc/86/27/35/1046862735.db2.gz ZFMMMRAJFGEYAJ-ZFWWWQNUSA-N 2 2 323.362 4.035 20 0 DIADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000679541441 1046862754 /nfs/dbraw/zinc/86/27/54/1046862754.db2.gz ZFMMMRAJFGEYAJ-ZFWWWQNUSA-N 2 2 323.362 4.035 20 0 DIADLP C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137378681 1046879739 /nfs/dbraw/zinc/87/97/39/1046879739.db2.gz ASRZOTMLOOEHMQ-UHFFFAOYSA-N 2 2 322.456 4.130 20 0 DIADLP C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137378681 1046879752 /nfs/dbraw/zinc/87/97/52/1046879752.db2.gz ASRZOTMLOOEHMQ-UHFFFAOYSA-N 2 2 322.456 4.130 20 0 DIADLP CCCCc1[nH]c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c[nH+]1 ZINC001141067672 1046995667 /nfs/dbraw/zinc/99/56/67/1046995667.db2.gz LHNJQNQFLIIQDI-UHFFFAOYSA-N 2 2 321.468 4.313 20 0 DIADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000680856715 1047057773 /nfs/dbraw/zinc/05/77/73/1047057773.db2.gz FFXMBAJRZCYYDO-HNNXBMFYSA-N 2 2 309.816 4.197 20 0 DIADLP C[N@H+](C/C=C/c1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244496 1047061818 /nfs/dbraw/zinc/06/18/18/1047061818.db2.gz NTOAWAGKANEQNI-UXBLZVDNSA-N 2 2 303.409 4.018 20 0 DIADLP C[N@@H+](C/C=C/c1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244496 1047061831 /nfs/dbraw/zinc/06/18/31/1047061831.db2.gz NTOAWAGKANEQNI-UXBLZVDNSA-N 2 2 303.409 4.018 20 0 DIADLP CC[C@H](c1ccccc1)[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244729 1047062885 /nfs/dbraw/zinc/06/28/85/1047062885.db2.gz SVLRDZYUUYCGEO-HXUWFJFHSA-N 2 2 305.425 4.455 20 0 DIADLP CC[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244729 1047062899 /nfs/dbraw/zinc/06/28/99/1047062899.db2.gz SVLRDZYUUYCGEO-HXUWFJFHSA-N 2 2 305.425 4.455 20 0 DIADLP COc1ccc([C@H](C)[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001141244982 1047063356 /nfs/dbraw/zinc/06/33/56/1047063356.db2.gz ZCOLBCPXEAMOLF-INIZCTEOSA-N 2 2 321.424 4.074 20 0 DIADLP COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001141244982 1047063368 /nfs/dbraw/zinc/06/33/68/1047063368.db2.gz ZCOLBCPXEAMOLF-INIZCTEOSA-N 2 2 321.424 4.074 20 0 DIADLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000537252513 1047156724 /nfs/dbraw/zinc/15/67/24/1047156724.db2.gz IGEBVLYYLLYCMP-UHFFFAOYSA-N 2 2 315.436 4.247 20 0 DIADLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000537252513 1047156726 /nfs/dbraw/zinc/15/67/26/1047156726.db2.gz IGEBVLYYLLYCMP-UHFFFAOYSA-N 2 2 315.436 4.247 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682406163 1047192639 /nfs/dbraw/zinc/19/26/39/1047192639.db2.gz HAORTBZRGMWUEL-DFQSSKMNSA-N 2 2 323.484 4.286 20 0 DIADLP CCc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000682532641 1047203000 /nfs/dbraw/zinc/20/30/00/1047203000.db2.gz TXQXXKBPFZEOEU-MRXNPFEDSA-N 2 2 305.425 4.286 20 0 DIADLP CC(C)(CCc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000325696638 1047208007 /nfs/dbraw/zinc/20/80/07/1047208007.db2.gz RRLGXQILCWJXQC-UHFFFAOYSA-N 2 2 319.452 4.373 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000683012534 1047258300 /nfs/dbraw/zinc/25/83/00/1047258300.db2.gz VVZWXLZUHQJGNN-HXUWFJFHSA-N 2 2 321.399 4.267 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000683012534 1047258321 /nfs/dbraw/zinc/25/83/21/1047258321.db2.gz VVZWXLZUHQJGNN-HXUWFJFHSA-N 2 2 321.399 4.267 20 0 DIADLP CC[N@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C1CC[NH+](C)CC1 ZINC001141740076 1047282205 /nfs/dbraw/zinc/28/22/05/1047282205.db2.gz UABGMZWWJODXSW-UHFFFAOYSA-N 2 2 320.480 4.174 20 0 DIADLP CC[N@@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C1CC[NH+](C)CC1 ZINC001141740076 1047282221 /nfs/dbraw/zinc/28/22/21/1047282221.db2.gz UABGMZWWJODXSW-UHFFFAOYSA-N 2 2 320.480 4.174 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)CCC2 ZINC000390209770 1047295270 /nfs/dbraw/zinc/29/52/70/1047295270.db2.gz DHYBUWCKDQTDDB-KXBFYZLASA-N 2 2 311.473 4.137 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000390264676 1047295920 /nfs/dbraw/zinc/29/59/20/1047295920.db2.gz IRZTTWQUVDXOTJ-ZWKOTPCHSA-N 2 2 315.461 4.047 20 0 DIADLP CCOc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000390321766 1047298081 /nfs/dbraw/zinc/29/80/81/1047298081.db2.gz YBFGBBXFIURLFD-YJBOKZPZSA-N 2 2 315.461 4.047 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000390780635 1047299990 /nfs/dbraw/zinc/29/99/90/1047299990.db2.gz QSKNZTYNANFVMH-FXAWDEMLSA-N 2 2 312.457 4.151 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000390780635 1047299997 /nfs/dbraw/zinc/29/99/97/1047299997.db2.gz QSKNZTYNANFVMH-FXAWDEMLSA-N 2 2 312.457 4.151 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000390780637 1047300443 /nfs/dbraw/zinc/30/04/43/1047300443.db2.gz QSKNZTYNANFVMH-XLIONFOSSA-N 2 2 312.457 4.151 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000390780637 1047300459 /nfs/dbraw/zinc/30/04/59/1047300459.db2.gz QSKNZTYNANFVMH-XLIONFOSSA-N 2 2 312.457 4.151 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651750196 1047326550 /nfs/dbraw/zinc/32/65/50/1047326550.db2.gz ZZKYGVUVRBKBNU-QGZVFWFLSA-N 2 2 311.473 4.131 20 0 DIADLP CC[N@H+](CCC[NH+](C)C)Cc1sccc1Oc1ccccc1 ZINC001142001628 1047338428 /nfs/dbraw/zinc/33/84/28/1047338428.db2.gz XSCNAVVNSAFRAK-UHFFFAOYSA-N 2 2 318.486 4.314 20 0 DIADLP CC[N@@H+](CCC[NH+](C)C)Cc1sccc1Oc1ccccc1 ZINC001142001628 1047338436 /nfs/dbraw/zinc/33/84/36/1047338436.db2.gz XSCNAVVNSAFRAK-UHFFFAOYSA-N 2 2 318.486 4.314 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532754 1047347032 /nfs/dbraw/zinc/34/70/32/1047347032.db2.gz GRKFDIBUFBSHLL-QWRGUYRKSA-N 2 2 319.251 4.125 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532754 1047347042 /nfs/dbraw/zinc/34/70/42/1047347042.db2.gz GRKFDIBUFBSHLL-QWRGUYRKSA-N 2 2 319.251 4.125 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000841037393 1047372476 /nfs/dbraw/zinc/37/24/76/1047372476.db2.gz PIDXRBVSDJYEQY-HXUWFJFHSA-N 2 2 319.452 4.148 20 0 DIADLP CCCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001142349221 1047433490 /nfs/dbraw/zinc/43/34/90/1047433490.db2.gz VSNLSDPETHNKII-UHFFFAOYSA-N 2 2 300.490 4.089 20 0 DIADLP Cc1ccc2ccccc2c1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001142375485 1047438126 /nfs/dbraw/zinc/43/81/26/1047438126.db2.gz BQFFHMULVIHMOS-UHFFFAOYSA-N 2 2 320.480 4.066 20 0 DIADLP Cc1ccc2ccccc2c1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001142375485 1047438133 /nfs/dbraw/zinc/43/81/33/1047438133.db2.gz BQFFHMULVIHMOS-UHFFFAOYSA-N 2 2 320.480 4.066 20 0 DIADLP C[C@@H](c1ccco1)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000086232976 1047439349 /nfs/dbraw/zinc/43/93/49/1047439349.db2.gz ORGVIRBFUWAZTD-HNNXBMFYSA-N 2 2 307.397 4.191 20 0 DIADLP C[C@@H](c1ccco1)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000086232976 1047439354 /nfs/dbraw/zinc/43/93/54/1047439354.db2.gz ORGVIRBFUWAZTD-HNNXBMFYSA-N 2 2 307.397 4.191 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000841745573 1047448523 /nfs/dbraw/zinc/44/85/23/1047448523.db2.gz QGWBUKYKPKPREW-JYYAWHABSA-N 2 2 317.502 4.141 20 0 DIADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000119313629 1047449939 /nfs/dbraw/zinc/44/99/39/1047449939.db2.gz KMOIAVGIJUQTLW-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000119313629 1047449945 /nfs/dbraw/zinc/44/99/45/1047449945.db2.gz KMOIAVGIJUQTLW-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP CC(C)C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000119830221 1047469685 /nfs/dbraw/zinc/46/96/85/1047469685.db2.gz GBTYOWKOTIBXDB-UHFFFAOYSA-N 2 2 319.452 4.344 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000120496795 1047494017 /nfs/dbraw/zinc/49/40/17/1047494017.db2.gz LXVULQBDJPBJMS-QGZVFWFLSA-N 2 2 305.425 4.291 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2csc(Cl)c2)C2CCCC2)CC1 ZINC001142780274 1047494697 /nfs/dbraw/zinc/49/46/97/1047494697.db2.gz NDZMRGQXSXZMGB-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2csc(Cl)c2)C2CCCC2)CC1 ZINC001142780274 1047494704 /nfs/dbraw/zinc/49/47/04/1047494704.db2.gz NDZMRGQXSXZMGB-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP CC(C)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000842832851 1047506627 /nfs/dbraw/zinc/50/66/27/1047506627.db2.gz WMQYAPXCGWOLIT-FQEVSTJZSA-N 2 2 320.440 4.144 20 0 DIADLP FC(F)(F)C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000315560982 1047610934 /nfs/dbraw/zinc/61/09/34/1047610934.db2.gz OGOPFAMHAHTGIP-INIZCTEOSA-N 2 2 314.395 4.146 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c(C)n1 ZINC000643508569 1047629087 /nfs/dbraw/zinc/62/90/87/1047629087.db2.gz FJXNIFAROTUPHI-QRWLVFNGSA-N 2 2 311.473 4.172 20 0 DIADLP Cc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000538098740 1047657348 /nfs/dbraw/zinc/65/73/48/1047657348.db2.gz MJMMHUHBDUFPDP-FQEVSTJZSA-N 2 2 309.457 4.323 20 0 DIADLP c1cn(CCC[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c[nH+]1 ZINC000538350539 1047671360 /nfs/dbraw/zinc/67/13/60/1047671360.db2.gz ICVDCHIVNPIGGM-FQEVSTJZSA-N 2 2 311.473 4.008 20 0 DIADLP c1cn(CCC[N@H+]2CCC[C@H](CCCc3ccccc3)C2)c[nH+]1 ZINC000538350539 1047671363 /nfs/dbraw/zinc/67/13/63/1047671363.db2.gz ICVDCHIVNPIGGM-FQEVSTJZSA-N 2 2 311.473 4.008 20 0 DIADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000538452722 1047679401 /nfs/dbraw/zinc/67/94/01/1047679401.db2.gz DMEQJAWPMDYEKN-IBGZPJMESA-N 2 2 311.429 4.396 20 0 DIADLP CC(C)[NH+]1CCC(CNc2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001156495589 1047714831 /nfs/dbraw/zinc/71/48/31/1047714831.db2.gz IVVYBXNQQPFFPP-UHFFFAOYSA-N 2 2 309.457 4.281 20 0 DIADLP Clc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCCCC2)cc1 ZINC000539368143 1047750297 /nfs/dbraw/zinc/75/02/97/1047750297.db2.gz JTEVHIHSDGOGOU-UHFFFAOYSA-N 2 2 317.864 4.376 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000552925914 1047806284 /nfs/dbraw/zinc/80/62/84/1047806284.db2.gz NTWLPOIKJPTITE-AWEZNQCLSA-N 2 2 322.443 4.413 20 0 DIADLP Cc1c[nH+]c(C)c(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)c1 ZINC001159389666 1047839141 /nfs/dbraw/zinc/83/91/41/1047839141.db2.gz LTOHGDLLFVXWPW-APHBMKBZSA-N 2 2 310.445 4.068 20 0 DIADLP Cc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc(C(C)(C)C)[nH+]1 ZINC001159395412 1047840664 /nfs/dbraw/zinc/84/06/64/1047840664.db2.gz HAPGVRMPWYRUOJ-UHFFFAOYSA-N 2 2 318.509 4.146 20 0 DIADLP c1cn(-c2cccc(Nc3ccc(C4CC[NH2+]CC4)cc3)c2)c[nH+]1 ZINC001159461399 1047850725 /nfs/dbraw/zinc/85/07/25/1047850725.db2.gz SMFAMPIUFJVKHR-UHFFFAOYSA-N 2 2 318.424 4.083 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182856147 1047852682 /nfs/dbraw/zinc/85/26/82/1047852682.db2.gz TYMGFFFLXVQPKF-OLZOCXBDSA-N 2 2 314.926 4.185 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182856147 1047852687 /nfs/dbraw/zinc/85/26/87/1047852687.db2.gz TYMGFFFLXVQPKF-OLZOCXBDSA-N 2 2 314.926 4.185 20 0 DIADLP CN(c1ccc(Nc2ccc(C[NH3+])cc2)c[nH+]1)C1CCCCC1 ZINC001159483704 1047854076 /nfs/dbraw/zinc/85/40/76/1047854076.db2.gz AXQOQBIWCRQZKQ-UHFFFAOYSA-N 2 2 310.445 4.053 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC000479334076 1047872798 /nfs/dbraw/zinc/87/27/98/1047872798.db2.gz XTPUCVMJMQSRKH-LJQANCHMSA-N 2 2 322.443 4.126 20 0 DIADLP CC(C)(C[NH3+])c1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001159582400 1047873646 /nfs/dbraw/zinc/87/36/46/1047873646.db2.gz XGPRTDPYSIASSD-UHFFFAOYSA-N 2 2 306.413 4.057 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001197881917 1047892622 /nfs/dbraw/zinc/89/26/22/1047892622.db2.gz MUNNZUKCCUCPRL-OAHLLOKOSA-N 2 2 306.881 4.351 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc4c(c3)CC[NH2+]CC4)ccc21 ZINC001159678663 1047899033 /nfs/dbraw/zinc/89/90/33/1047899033.db2.gz BBAMWNZYGWZUJU-UHFFFAOYSA-N 2 2 320.440 4.049 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183226335 1047904776 /nfs/dbraw/zinc/90/47/76/1047904776.db2.gz GTFKYKNGOSGMGG-QUCCMNQESA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183226335 1047904785 /nfs/dbraw/zinc/90/47/85/1047904785.db2.gz GTFKYKNGOSGMGG-QUCCMNQESA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183226333 1047905762 /nfs/dbraw/zinc/90/57/62/1047905762.db2.gz GTFKYKNGOSGMGG-ICSRJNTNSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183226333 1047905768 /nfs/dbraw/zinc/90/57/68/1047905768.db2.gz GTFKYKNGOSGMGG-ICSRJNTNSA-N 2 2 300.490 4.004 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159763130 1047916932 /nfs/dbraw/zinc/91/69/32/1047916932.db2.gz CGRBHOYDGUAYKR-UHFFFAOYSA-N 2 2 307.441 4.478 20 0 DIADLP CC(C)CC[C@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001183526039 1047934854 /nfs/dbraw/zinc/93/48/54/1047934854.db2.gz KBRABPQVQKZQQT-FXAWDEMLSA-N 2 2 315.505 4.208 20 0 DIADLP CC(C)CC[C@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001183526039 1047934863 /nfs/dbraw/zinc/93/48/63/1047934863.db2.gz KBRABPQVQKZQQT-FXAWDEMLSA-N 2 2 315.505 4.208 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c[nH+]c1C ZINC001183525879 1047934963 /nfs/dbraw/zinc/93/49/63/1047934963.db2.gz JFTOTDJJTKZBAL-KUHUBIRLSA-N 2 2 301.478 4.153 20 0 DIADLP CCc1cccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)oc21 ZINC000667563882 1047982872 /nfs/dbraw/zinc/98/28/72/1047982872.db2.gz UFOXFIGYFLCORW-UHFFFAOYSA-N 2 2 309.413 4.029 20 0 DIADLP CC(C)(C)SCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790673 1048002524 /nfs/dbraw/zinc/00/25/24/1048002524.db2.gz LMKJRCKXQOTHTA-HNNXBMFYSA-N 2 2 323.550 4.349 20 0 DIADLP CC(C)(C)SCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790673 1048002545 /nfs/dbraw/zinc/00/25/45/1048002545.db2.gz LMKJRCKXQOTHTA-HNNXBMFYSA-N 2 2 323.550 4.349 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198769127 1048004732 /nfs/dbraw/zinc/00/47/32/1048004732.db2.gz KCYHJEICAVOHED-KRWDZBQOSA-N 2 2 319.399 4.029 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]Cc1cccc2c1CCC2)c1ccccc1 ZINC001198969018 1048022820 /nfs/dbraw/zinc/02/28/20/1048022820.db2.gz LYZFREYKIPBLIT-JOCHJYFZSA-N 2 2 322.496 4.348 20 0 DIADLP CC[N@H+](C)c1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC001160372264 1048041387 /nfs/dbraw/zinc/04/13/87/1048041387.db2.gz NHVUDMQCTPWPAM-UHFFFAOYSA-N 2 2 309.457 4.353 20 0 DIADLP CC[N@@H+](C)c1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC001160372264 1048041398 /nfs/dbraw/zinc/04/13/98/1048041398.db2.gz NHVUDMQCTPWPAM-UHFFFAOYSA-N 2 2 309.457 4.353 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000480143230 1048067557 /nfs/dbraw/zinc/06/75/57/1048067557.db2.gz OARXGPCPLNXZHA-AWEZNQCLSA-N 2 2 324.896 4.264 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000480163704 1048074747 /nfs/dbraw/zinc/07/47/47/1048074747.db2.gz KACGAJCMKLMSBJ-INIZCTEOSA-N 2 2 312.457 4.472 20 0 DIADLP Cc1cccc2c1cc[nH+]c2N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001160661777 1048075376 /nfs/dbraw/zinc/07/53/76/1048075376.db2.gz KQUUFBLBFALLGI-INIZCTEOSA-N 2 2 319.452 4.145 20 0 DIADLP Cc1cc2[nH]ccc2c(-n2cc(C(C)(C)C[NH3+])c3ccccc32)[nH+]1 ZINC001160845073 1048089619 /nfs/dbraw/zinc/08/96/19/1048089619.db2.gz KOQIFJBGWNNXCL-UHFFFAOYSA-N 2 2 318.424 4.052 20 0 DIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000480275585 1048108205 /nfs/dbraw/zinc/10/82/05/1048108205.db2.gz RWVFEIKQGIZJJV-GXTWGEPZSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000480275585 1048108214 /nfs/dbraw/zinc/10/82/14/1048108214.db2.gz RWVFEIKQGIZJJV-GXTWGEPZSA-N 2 2 312.910 4.144 20 0 DIADLP Cc1cc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC001161680652 1048153206 /nfs/dbraw/zinc/15/32/06/1048153206.db2.gz WAVBQKUWLSUMHC-WKILWMFISA-N 2 2 318.509 4.031 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H](c2ccccc2)C1 ZINC001200900852 1048161278 /nfs/dbraw/zinc/16/12/78/1048161278.db2.gz CCFSPGMTGWKFPQ-IHPCNDPISA-N 2 2 323.484 4.446 20 0 DIADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000480772231 1048242886 /nfs/dbraw/zinc/24/28/86/1048242886.db2.gz TVYRPDQXESXNMN-DLBZAZTESA-N 2 2 315.461 4.191 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000480790333 1048244352 /nfs/dbraw/zinc/24/43/52/1048244352.db2.gz VHQBKYSEKNLHBK-HXUWFJFHSA-N 2 2 311.473 4.380 20 0 DIADLP CC(C)c1cc(NC[C@@H](C)C[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC001162216389 1048244542 /nfs/dbraw/zinc/24/45/42/1048244542.db2.gz SNMPSQIMEMIPIG-MRXNPFEDSA-N 2 2 318.509 4.257 20 0 DIADLP C[NH+](C)Cc1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001201389634 1048258577 /nfs/dbraw/zinc/25/85/77/1048258577.db2.gz KNEKNPSJGSCCEH-UHFFFAOYSA-N 2 2 311.816 4.115 20 0 DIADLP CC(C)[PH+](CCNc1nc(N2CCCCC2)cc[nH+]1)C(C)C ZINC001162362046 1048269287 /nfs/dbraw/zinc/26/92/87/1048269287.db2.gz RJOBDRWJSLMPAB-UHFFFAOYSA-N 2 2 322.437 4.178 20 0 DIADLP CCC[C@@H](C)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201551289 1048304844 /nfs/dbraw/zinc/30/48/44/1048304844.db2.gz SYOHFDBEURINNL-OAHLLOKOSA-N 2 2 323.440 4.430 20 0 DIADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059864 1048305036 /nfs/dbraw/zinc/30/50/36/1048305036.db2.gz YPNHHPFHXPCSCW-MNOVXSKESA-N 2 2 321.317 4.437 20 0 DIADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC000481059864 1048305045 /nfs/dbraw/zinc/30/50/45/1048305045.db2.gz YPNHHPFHXPCSCW-MNOVXSKESA-N 2 2 321.317 4.437 20 0 DIADLP CCCCC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201735444 1048373208 /nfs/dbraw/zinc/37/32/08/1048373208.db2.gz RJKADAYWZNSBAS-UHFFFAOYSA-N 2 2 309.413 4.184 20 0 DIADLP C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001162909446 1048386576 /nfs/dbraw/zinc/38/65/76/1048386576.db2.gz XBYLQWOEAXITLW-AWEZNQCLSA-N 2 2 316.408 4.051 20 0 DIADLP Cc1ccc2c(c1)[C@@H](Nc1c[nH+]c(C)c(C)c1)CC21CC[NH2+]CC1 ZINC001163034365 1048405514 /nfs/dbraw/zinc/40/55/14/1048405514.db2.gz PQNTWBHMIVNLSM-FQEVSTJZSA-N 2 2 321.468 4.185 20 0 DIADLP C[C@@H]([NH2+]Cc1cscc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947030 1048407552 /nfs/dbraw/zinc/40/75/52/1048407552.db2.gz QGMZHANUJVVPTL-OLZOCXBDSA-N 2 2 312.910 4.144 20 0 DIADLP C[C@@H]([NH2+]Cc1cscc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947030 1048407557 /nfs/dbraw/zinc/40/75/57/1048407557.db2.gz QGMZHANUJVVPTL-OLZOCXBDSA-N 2 2 312.910 4.144 20 0 DIADLP Cc1ccccc1CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668859 1048411267 /nfs/dbraw/zinc/41/12/67/1048411267.db2.gz IHGYNKVCLZSVGT-OAQYLSRUSA-N 2 2 319.452 4.155 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163234980 1048443472 /nfs/dbraw/zinc/44/34/72/1048443472.db2.gz ADPVWRIKQXPEOM-QGZVFWFLSA-N 2 2 315.486 4.159 20 0 DIADLP Cc1c2[nH+]c[nH]c2ccc1NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001163848141 1048538087 /nfs/dbraw/zinc/53/80/87/1048538087.db2.gz NAZYFHATMQIGLH-UHFFFAOYSA-N 2 2 308.429 4.477 20 0 DIADLP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccc(C2=[NH+]CCC2)c1 ZINC001163903522 1048547098 /nfs/dbraw/zinc/54/70/98/1048547098.db2.gz XZNHPUZARWRMTJ-UHFFFAOYSA-N 2 2 323.827 4.326 20 0 DIADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483129659 1048742510 /nfs/dbraw/zinc/74/25/10/1048742510.db2.gz TWVPPIBULIJMIR-IBGZPJMESA-N 2 2 323.827 4.303 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)s1 ZINC000483135035 1048745057 /nfs/dbraw/zinc/74/50/57/1048745057.db2.gz DWLYJMYJDMSYLN-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP Clc1ccccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001203382201 1048745737 /nfs/dbraw/zinc/74/57/37/1048745737.db2.gz SAYQTEDHIROAGY-QGZVFWFLSA-N 2 2 306.881 4.180 20 0 DIADLP Clc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001203382201 1048745750 /nfs/dbraw/zinc/74/57/50/1048745750.db2.gz SAYQTEDHIROAGY-QGZVFWFLSA-N 2 2 306.881 4.180 20 0 DIADLP CC(C)c1cc(NCC2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001166604030 1048769704 /nfs/dbraw/zinc/76/97/04/1048769704.db2.gz RECDNIWPDUYEDV-UHFFFAOYSA-N 2 2 318.509 4.256 20 0 DIADLP c1ccc(-c2cc(Nc3ccc[nH+]c3N3CCCC3)cc[nH+]2)cc1 ZINC001176750475 1048778340 /nfs/dbraw/zinc/77/83/40/1048778340.db2.gz UPFHJNZZXYBGAX-UHFFFAOYSA-N 2 2 316.408 4.487 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)CCC2 ZINC000483451040 1048797584 /nfs/dbraw/zinc/79/75/84/1048797584.db2.gz NQTJCKAAJLILLW-ULQDDVLXSA-N 2 2 303.494 4.263 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001177061528 1048821095 /nfs/dbraw/zinc/82/10/95/1048821095.db2.gz OVVZOTAFWIFHHL-RLLQIKCJSA-N 2 2 300.490 4.239 20 0 DIADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H]3CCCC[C@H]3C)cc2)CC1 ZINC001177379018 1048878011 /nfs/dbraw/zinc/87/80/11/1048878011.db2.gz IXFUFPBZUKGTAP-MSOLQXFVSA-N 2 2 315.505 4.067 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000484306536 1048921209 /nfs/dbraw/zinc/92/12/09/1048921209.db2.gz JJAJMDMCJAIYFK-HNNXBMFYSA-N 2 2 315.486 4.346 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)o2)cc1 ZINC001177932656 1048966160 /nfs/dbraw/zinc/96/61/60/1048966160.db2.gz LBBBBWZOABIDIQ-UHFFFAOYSA-N 2 2 321.424 4.242 20 0 DIADLP C[NH+]1CCN(c2ccc([NH2+]CC3CCC(C)(C)CC3)cc2)CC1 ZINC001178016380 1048974346 /nfs/dbraw/zinc/97/43/46/1048974346.db2.gz VTKAWARJKUQPKU-UHFFFAOYSA-N 2 2 315.505 4.067 20 0 DIADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)c1 ZINC001203744469 1048987273 /nfs/dbraw/zinc/98/72/73/1048987273.db2.gz FEKCBZBEEQAEPJ-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)c1 ZINC001203744469 1048987281 /nfs/dbraw/zinc/98/72/81/1048987281.db2.gz FEKCBZBEEQAEPJ-UHFFFAOYSA-N 2 2 300.490 4.142 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484618728 1048989725 /nfs/dbraw/zinc/98/97/25/1048989725.db2.gz QQGOSSSCYNKWTR-PKOBYXMFSA-N 2 2 318.505 4.136 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000484618728 1048989737 /nfs/dbraw/zinc/98/97/37/1048989737.db2.gz QQGOSSSCYNKWTR-PKOBYXMFSA-N 2 2 318.505 4.136 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000484618726 1048990717 /nfs/dbraw/zinc/99/07/17/1048990717.db2.gz QQGOSSSCYNKWTR-MJGOQNOKSA-N 2 2 318.505 4.136 20 0 DIADLP CCCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000484618726 1048990728 /nfs/dbraw/zinc/99/07/28/1048990728.db2.gz QQGOSSSCYNKWTR-MJGOQNOKSA-N 2 2 318.505 4.136 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001178377465 1049022828 /nfs/dbraw/zinc/02/28/28/1049022828.db2.gz LSOQUAFWZDWDIL-AWEZNQCLSA-N 2 2 311.454 4.347 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001178327059 1049023204 /nfs/dbraw/zinc/02/32/04/1049023204.db2.gz XCGPCLDNZPWBAA-ZGQNHIEXSA-N 2 2 320.480 4.343 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001178327059 1049023213 /nfs/dbraw/zinc/02/32/13/1049023213.db2.gz XCGPCLDNZPWBAA-ZGQNHIEXSA-N 2 2 320.480 4.343 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2)cc1 ZINC001203944858 1049040211 /nfs/dbraw/zinc/04/02/11/1049040211.db2.gz UDZMRXLCEYRMLX-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2)cc1 ZINC001203944858 1049040224 /nfs/dbraw/zinc/04/02/24/1049040224.db2.gz UDZMRXLCEYRMLX-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCCC1 ZINC001178454353 1049041715 /nfs/dbraw/zinc/04/17/15/1049041715.db2.gz MLQCJJSYEIGSNF-AWEZNQCLSA-N 2 2 303.475 4.382 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC001204002811 1049058534 /nfs/dbraw/zinc/05/85/34/1049058534.db2.gz ZTDLSCIDXMKKJX-FQEVSTJZSA-N 2 2 318.420 4.197 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC001204002811 1049058543 /nfs/dbraw/zinc/05/85/43/1049058543.db2.gz ZTDLSCIDXMKKJX-FQEVSTJZSA-N 2 2 318.420 4.197 20 0 DIADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748982 1049081783 /nfs/dbraw/zinc/08/17/83/1049081783.db2.gz YIRSQSFXHJKWGM-VAMGGRTRSA-N 2 2 314.517 4.455 20 0 DIADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748982 1049081795 /nfs/dbraw/zinc/08/17/95/1049081795.db2.gz YIRSQSFXHJKWGM-VAMGGRTRSA-N 2 2 314.517 4.455 20 0 DIADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748980 1049081864 /nfs/dbraw/zinc/08/18/64/1049081864.db2.gz YIRSQSFXHJKWGM-AQNXPRMDSA-N 2 2 314.517 4.455 20 0 DIADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178748980 1049081878 /nfs/dbraw/zinc/08/18/78/1049081878.db2.gz YIRSQSFXHJKWGM-AQNXPRMDSA-N 2 2 314.517 4.455 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)cc1 ZINC001204138339 1049094224 /nfs/dbraw/zinc/09/42/24/1049094224.db2.gz HHYQWCZCIHYTSY-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)cc1 ZINC001204138339 1049094239 /nfs/dbraw/zinc/09/42/39/1049094239.db2.gz HHYQWCZCIHYTSY-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1F ZINC001179044354 1049122757 /nfs/dbraw/zinc/12/27/57/1049122757.db2.gz BRYYZLQTNQMQDK-QGZVFWFLSA-N 2 2 315.417 4.314 20 0 DIADLP CCCCCCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001204364949 1049151605 /nfs/dbraw/zinc/15/16/05/1049151605.db2.gz LIBLMMHGNJKVSL-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CCCCCCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001204364949 1049151613 /nfs/dbraw/zinc/15/16/13/1049151613.db2.gz LIBLMMHGNJKVSL-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@@H+]1Cc1ccccc1 ZINC001179304857 1049152849 /nfs/dbraw/zinc/15/28/49/1049152849.db2.gz VSKYLZJMSKJNBY-OALUTQOASA-N 2 2 312.501 4.209 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@H+]1Cc1ccccc1 ZINC001179304857 1049152858 /nfs/dbraw/zinc/15/28/58/1049152858.db2.gz VSKYLZJMSKJNBY-OALUTQOASA-N 2 2 312.501 4.209 20 0 DIADLP C[C@H]1C[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)c2ccsc2S1 ZINC001180174405 1049293997 /nfs/dbraw/zinc/29/39/97/1049293997.db2.gz LBLANBOGJBFLDS-WFASDCNBSA-N 2 2 319.499 4.207 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC001180173462 1049294689 /nfs/dbraw/zinc/29/46/89/1049294689.db2.gz GEDIUHGFJKWEBT-SNAWJCMRSA-N 2 2 309.457 4.159 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205288306 1049429558 /nfs/dbraw/zinc/42/95/58/1049429558.db2.gz IHCWCNHYQRYHOY-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205288306 1049429562 /nfs/dbraw/zinc/42/95/62/1049429562.db2.gz IHCWCNHYQRYHOY-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001181115436 1049441283 /nfs/dbraw/zinc/44/12/83/1049441283.db2.gz YATHVDPVKWTGCR-OXQOHEQNSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CCC1CC1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001181115436 1049441288 /nfs/dbraw/zinc/44/12/88/1049441288.db2.gz YATHVDPVKWTGCR-OXQOHEQNSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CCC(F)(F)F)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001181196459 1049451452 /nfs/dbraw/zinc/45/14/52/1049451452.db2.gz OZKSMSIVYDSEEX-OAHLLOKOSA-N 2 2 320.443 4.353 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc3[nH]ccc3c2)C2CCCC2)CC1 ZINC001205612322 1049512212 /nfs/dbraw/zinc/51/22/12/1049512212.db2.gz YHMCEXACGNLTSJ-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc3[nH]ccc3c2)C2CCCC2)CC1 ZINC001205612322 1049512222 /nfs/dbraw/zinc/51/22/22/1049512222.db2.gz YHMCEXACGNLTSJ-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001205650524 1049522720 /nfs/dbraw/zinc/52/27/20/1049522720.db2.gz NTNQVMLXXQNMJA-UFYCRDLUSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001205650524 1049522735 /nfs/dbraw/zinc/52/27/35/1049522735.db2.gz NTNQVMLXXQNMJA-UFYCRDLUSA-N 2 2 314.517 4.108 20 0 DIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C(C)(C)C)oc1C ZINC001205692859 1049534281 /nfs/dbraw/zinc/53/42/81/1049534281.db2.gz MDVSNUKKVCOGPL-UHFFFAOYSA-N 2 2 306.494 4.193 20 0 DIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C(C)(C)C)oc1C ZINC001205692859 1049534297 /nfs/dbraw/zinc/53/42/97/1049534297.db2.gz MDVSNUKKVCOGPL-UHFFFAOYSA-N 2 2 306.494 4.193 20 0 DIADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181914203 1049545939 /nfs/dbraw/zinc/54/59/39/1049545939.db2.gz WOMXQUVQUBPGKF-WOJBJXKFSA-N 2 2 314.517 4.455 20 0 DIADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181914203 1049545950 /nfs/dbraw/zinc/54/59/50/1049545950.db2.gz WOMXQUVQUBPGKF-WOJBJXKFSA-N 2 2 314.517 4.455 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181914200 1049547784 /nfs/dbraw/zinc/54/77/84/1049547784.db2.gz WOMXQUVQUBPGKF-UXHICEINSA-N 2 2 314.517 4.455 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181914200 1049547801 /nfs/dbraw/zinc/54/78/01/1049547801.db2.gz WOMXQUVQUBPGKF-UXHICEINSA-N 2 2 314.517 4.455 20 0 DIADLP CC[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC1(C)C ZINC001182031322 1049561240 /nfs/dbraw/zinc/56/12/40/1049561240.db2.gz IDEAQKYNXKZFLZ-HOCLYGCPSA-N 2 2 317.864 4.440 20 0 DIADLP c1cn(Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c2)c[nH+]1 ZINC000863690152 1049589320 /nfs/dbraw/zinc/58/93/20/1049589320.db2.gz LSEUOWQNDQCNSE-FQEVSTJZSA-N 2 2 303.409 4.023 20 0 DIADLP Clc1ccc(Cl)c(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000488245967 1049623092 /nfs/dbraw/zinc/62/30/92/1049623092.db2.gz CQZRZOXKZMOWEL-ZDUSSCGKSA-N 2 2 324.255 4.139 20 0 DIADLP Clc1ccc(Cl)c(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000488245967 1049623100 /nfs/dbraw/zinc/62/31/00/1049623100.db2.gz CQZRZOXKZMOWEL-ZDUSSCGKSA-N 2 2 324.255 4.139 20 0 DIADLP CCC1([NH+](C)C)CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001196684600 1049679052 /nfs/dbraw/zinc/67/90/52/1049679052.db2.gz OASVLHHFTVELLT-KRWDZBQOSA-N 2 2 306.881 4.134 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC001196878672 1049694504 /nfs/dbraw/zinc/69/45/04/1049694504.db2.gz OJQQAPSXFFAQMW-IMFGXOCKSA-N 2 2 309.457 4.239 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](C4CCC4)CC3)cc2)c[nH+]1 ZINC001197203107 1049728595 /nfs/dbraw/zinc/72/85/95/1049728595.db2.gz RLRPQTXORDBUKJ-LJQANCHMSA-N 2 2 309.457 4.275 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](C4CCC4)CC3)cc2)c[nH+]1 ZINC001197203107 1049728605 /nfs/dbraw/zinc/72/86/05/1049728605.db2.gz RLRPQTXORDBUKJ-LJQANCHMSA-N 2 2 309.457 4.275 20 0 DIADLP CC(C)[N@H+](Cc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206580064 1049760234 /nfs/dbraw/zinc/76/02/34/1049760234.db2.gz BVYQBEWLDUULQS-CYBMUJFWSA-N 2 2 315.288 4.346 20 0 DIADLP CC(C)[N@@H+](Cc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206580064 1049760242 /nfs/dbraw/zinc/76/02/42/1049760242.db2.gz BVYQBEWLDUULQS-CYBMUJFWSA-N 2 2 315.288 4.346 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001207183590 1049854444 /nfs/dbraw/zinc/85/44/44/1049854444.db2.gz CDWVKYMPRSBBCD-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@@H]1CCCC12CCCC2)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001207183590 1049854453 /nfs/dbraw/zinc/85/44/53/1049854453.db2.gz CDWVKYMPRSBBCD-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP c1cn(C[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)c2ccccc2)c[nH+]1 ZINC001207293532 1049876659 /nfs/dbraw/zinc/87/66/59/1049876659.db2.gz IOIBTBZPXRIPMX-HKBOAZHASA-N 2 2 317.436 4.018 20 0 DIADLP C[N@H+](CCCc1ccccc1F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207496554 1049899024 /nfs/dbraw/zinc/89/90/24/1049899024.db2.gz NMLUTPPASDBQCB-UHFFFAOYSA-N 2 2 323.415 4.076 20 0 DIADLP C[N@@H+](CCCc1ccccc1F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207496554 1049899031 /nfs/dbraw/zinc/89/90/31/1049899031.db2.gz NMLUTPPASDBQCB-UHFFFAOYSA-N 2 2 323.415 4.076 20 0 DIADLP CC(C)[N@H+](CCCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207592691 1049913614 /nfs/dbraw/zinc/91/36/14/1049913614.db2.gz ALVQSSYRNWCDOC-UHFFFAOYSA-N 2 2 308.897 4.077 20 0 DIADLP CC(C)[N@@H+](CCCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207592691 1049913620 /nfs/dbraw/zinc/91/36/20/1049913620.db2.gz ALVQSSYRNWCDOC-UHFFFAOYSA-N 2 2 308.897 4.077 20 0 DIADLP C[C@H](C[NH+]1CCC(c2c[nH+]cn2C)CC1)c1cccc(Cl)c1 ZINC001207824736 1049941742 /nfs/dbraw/zinc/94/17/42/1049941742.db2.gz TUWQNHONDCSZQJ-CQSZACIVSA-N 2 2 317.864 4.057 20 0 DIADLP C[NH+]1CCC([N@H+](CC2(c3ccccc3)CC2)C2CCCC2)CC1 ZINC001207841045 1049944501 /nfs/dbraw/zinc/94/45/01/1049944501.db2.gz QNCDVEOVFVLFFA-UHFFFAOYSA-N 2 2 312.501 4.057 20 0 DIADLP C[NH+]1CCC([N@@H+](CC2(c3ccccc3)CC2)C2CCCC2)CC1 ZINC001207841045 1049944511 /nfs/dbraw/zinc/94/45/11/1049944511.db2.gz QNCDVEOVFVLFFA-UHFFFAOYSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@H](C[N@H+](C1CCCC1)C1CC[NH+](C)CC1)c1ccccc1 ZINC001207914046 1049953784 /nfs/dbraw/zinc/95/37/84/1049953784.db2.gz QUADNYAUKARTOG-QGZVFWFLSA-N 2 2 300.490 4.129 20 0 DIADLP C[C@H](C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1)c1ccccc1 ZINC001207914046 1049953788 /nfs/dbraw/zinc/95/37/88/1049953788.db2.gz QUADNYAUKARTOG-QGZVFWFLSA-N 2 2 300.490 4.129 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001207940117 1049961405 /nfs/dbraw/zinc/96/14/05/1049961405.db2.gz IOOYEMBYEPUIRF-IBGZPJMESA-N 2 2 313.489 4.480 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@H+]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001207940117 1049961411 /nfs/dbraw/zinc/96/14/11/1049961411.db2.gz IOOYEMBYEPUIRF-IBGZPJMESA-N 2 2 313.489 4.480 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000588177569 1049973739 /nfs/dbraw/zinc/97/37/39/1049973739.db2.gz DPYVZPFWLWVBCL-QGOAFFKASA-N 2 2 317.436 4.125 20 0 DIADLP CC1=C[C@@H](C)[C@H](C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166929 1049979888 /nfs/dbraw/zinc/97/98/88/1049979888.db2.gz CVPYQSILNNRUCQ-MSOLQXFVSA-N 2 2 304.522 4.318 20 0 DIADLP CC1=C[C@@H](C)[C@H](C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166929 1049979889 /nfs/dbraw/zinc/97/98/89/1049979889.db2.gz CVPYQSILNNRUCQ-MSOLQXFVSA-N 2 2 304.522 4.318 20 0 DIADLP CC[N@H+](CC[C@H](C)CCCC(C)(C)OC)C1CC[NH+](C)CC1 ZINC001208207257 1049985560 /nfs/dbraw/zinc/98/55/60/1049985560.db2.gz XGBFHLWRYVHMEY-QGZVFWFLSA-N 2 2 312.542 4.024 20 0 DIADLP CC[N@@H+](CC[C@H](C)CCCC(C)(C)OC)C1CC[NH+](C)CC1 ZINC001208207257 1049985564 /nfs/dbraw/zinc/98/55/64/1049985564.db2.gz XGBFHLWRYVHMEY-QGZVFWFLSA-N 2 2 312.542 4.024 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](C)c1cccc2ccccc21 ZINC001208707784 1050004986 /nfs/dbraw/zinc/00/49/86/1050004986.db2.gz FDABIPZVOURVJI-QGZVFWFLSA-N 2 2 307.441 4.162 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](C)c1cccc2ccccc21 ZINC001208707784 1050004991 /nfs/dbraw/zinc/00/49/91/1050004991.db2.gz FDABIPZVOURVJI-QGZVFWFLSA-N 2 2 307.441 4.162 20 0 DIADLP C[NH+]1CCC([N@H+](CCc2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001208741550 1050008313 /nfs/dbraw/zinc/00/83/13/1050008313.db2.gz FQKDCUDGSXCJNQ-UHFFFAOYSA-N 2 2 320.908 4.221 20 0 DIADLP C[NH+]1CCC([N@@H+](CCc2ccc(Cl)cc2)C2CCCC2)CC1 ZINC001208741550 1050008316 /nfs/dbraw/zinc/00/83/16/1050008316.db2.gz FQKDCUDGSXCJNQ-UHFFFAOYSA-N 2 2 320.908 4.221 20 0 DIADLP Clc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC001209082501 1050033309 /nfs/dbraw/zinc/03/33/09/1050033309.db2.gz UWJXSVPSQLBIKB-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2ccc3c(c2)[nH+]cn3C)cc1 ZINC001209823322 1050089302 /nfs/dbraw/zinc/08/93/02/1050089302.db2.gz CIDWVCUJLVZMOV-UHFFFAOYSA-N 2 2 308.429 4.159 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2cccc3[nH+]c(C)cn32)cc1 ZINC001209822161 1050089476 /nfs/dbraw/zinc/08/94/76/1050089476.db2.gz XMIJISQVQLOUJN-UHFFFAOYSA-N 2 2 308.429 4.228 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2cccn3cc(C)[nH+]c23)cc1 ZINC001209822846 1050089512 /nfs/dbraw/zinc/08/95/12/1050089512.db2.gz WBAOKKRYIKLPLJ-UHFFFAOYSA-N 2 2 308.429 4.228 20 0 DIADLP Cc1cc(N)[nH+]cc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC001209968229 1050113797 /nfs/dbraw/zinc/11/37/97/1050113797.db2.gz SMVACPXGXJHAHR-UHFFFAOYSA-N 2 2 318.302 4.283 20 0 DIADLP c1cc([NH+]2CCCC2)ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210708314 1050341538 /nfs/dbraw/zinc/34/15/38/1050341538.db2.gz LEPDPEQUCQPILO-FQEVSTJZSA-N 2 2 311.473 4.231 20 0 DIADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785508051 1050382719 /nfs/dbraw/zinc/38/27/19/1050382719.db2.gz MLZMGQURQSFITP-BEFAXECRSA-N 2 2 315.505 4.064 20 0 DIADLP CC(C)[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000796897155 1050443066 /nfs/dbraw/zinc/44/30/66/1050443066.db2.gz JGYVZTHNPXYYIZ-UXHICEINSA-N 2 2 315.505 4.064 20 0 DIADLP CC(C)CC(CC(C)C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716249819 1050467257 /nfs/dbraw/zinc/46/72/57/1050467257.db2.gz DIJLASFTMMVRNE-UHFFFAOYSA-N 2 2 302.506 4.169 20 0 DIADLP CC(C)CCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001170071279 1050583234 /nfs/dbraw/zinc/58/32/34/1050583234.db2.gz MQPQNYDUCKETPC-INIZCTEOSA-N 2 2 306.469 4.290 20 0 DIADLP CSc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742392533 1050829111 /nfs/dbraw/zinc/82/91/11/1050829111.db2.gz QCOUMYKTOXTWJI-HNNXBMFYSA-N 2 2 323.465 4.445 20 0 DIADLP CCc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000742393198 1050830150 /nfs/dbraw/zinc/83/01/50/1050830150.db2.gz WIVHWMLYWMOSBC-CQSZACIVSA-N 2 2 311.454 4.347 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391471 1050831003 /nfs/dbraw/zinc/83/10/03/1050831003.db2.gz JNKFNWDWMKKGNI-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCC[NH2+][C@@H](C)c2cc(C)oc2C)c(C)o1 ZINC000348095986 1050986088 /nfs/dbraw/zinc/98/60/88/1050986088.db2.gz NPGUJGSHDBEBQK-GASCZTMLSA-N 2 2 318.461 4.498 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000037156379 1051113493 /nfs/dbraw/zinc/11/34/93/1051113493.db2.gz KPSJHNTYFIZRDU-BBRMVZONSA-N 2 2 305.853 4.302 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000792284534 1051130649 /nfs/dbraw/zinc/13/06/49/1051130649.db2.gz ZGHDMQUIHMOFNC-OAHLLOKOSA-N 2 2 311.454 4.401 20 0 DIADLP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1c(F)cccc1F ZINC001171623973 1051179481 /nfs/dbraw/zinc/17/94/81/1051179481.db2.gz JZSMWIWPOLJRLO-LBPRGKRZSA-N 2 2 310.432 4.267 20 0 DIADLP C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327239 1051246770 /nfs/dbraw/zinc/24/67/70/1051246770.db2.gz VPSSDJDSEGDDMH-KBXCAEBGSA-N 2 2 321.449 4.370 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975077 1051263358 /nfs/dbraw/zinc/26/33/58/1051263358.db2.gz KNKNDRSMEWBTSA-QFBILLFUSA-N 2 2 312.457 4.373 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975077 1051263372 /nfs/dbraw/zinc/26/33/72/1051263372.db2.gz KNKNDRSMEWBTSA-QFBILLFUSA-N 2 2 312.457 4.373 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975079 1051263874 /nfs/dbraw/zinc/26/38/74/1051263874.db2.gz KNKNDRSMEWBTSA-VQIMIIECSA-N 2 2 312.457 4.373 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975079 1051263880 /nfs/dbraw/zinc/26/38/80/1051263880.db2.gz KNKNDRSMEWBTSA-VQIMIIECSA-N 2 2 312.457 4.373 20 0 DIADLP C[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001172365973 1051376799 /nfs/dbraw/zinc/37/67/99/1051376799.db2.gz MIHAMNIXVIFJJF-LVCYWYKZSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC001172365973 1051376805 /nfs/dbraw/zinc/37/68/05/1051376805.db2.gz MIHAMNIXVIFJJF-LVCYWYKZSA-N 2 2 314.517 4.408 20 0 DIADLP CCCCCC[C@@H](CCCC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172518435 1051430163 /nfs/dbraw/zinc/43/01/63/1051430163.db2.gz YBVXZBKHFFHYAM-MOPGFXCFSA-N 2 2 324.553 4.359 20 0 DIADLP CCCCCC[C@@H](CCCC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172518435 1051430168 /nfs/dbraw/zinc/43/01/68/1051430168.db2.gz YBVXZBKHFFHYAM-MOPGFXCFSA-N 2 2 324.553 4.359 20 0 DIADLP c1cn([C@H]2CCC[C@@H](c3ccccc3)C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001172550756 1051432841 /nfs/dbraw/zinc/43/28/41/1051432841.db2.gz AQJSAHMAOOHCSA-QRVBRYPASA-N 2 2 309.457 4.249 20 0 DIADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555593 1051438518 /nfs/dbraw/zinc/43/85/18/1051438518.db2.gz IPVAOCQGGBFHEX-QRVBRYPASA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555593 1051438522 /nfs/dbraw/zinc/43/85/22/1051438522.db2.gz IPVAOCQGGBFHEX-QRVBRYPASA-N 2 2 300.490 4.033 20 0 DIADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172535459 1051450339 /nfs/dbraw/zinc/45/03/39/1051450339.db2.gz VPWFEPQDWWWHDA-WOJBJXKFSA-N 2 2 300.490 4.034 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)C2)cc1 ZINC001172537538 1051451506 /nfs/dbraw/zinc/45/15/06/1051451506.db2.gz PWJNUIQNCKZSRN-NJYVYQBISA-N 2 2 312.501 4.177 20 0 DIADLP c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC001172537538 1051451509 /nfs/dbraw/zinc/45/15/09/1051451509.db2.gz PWJNUIQNCKZSRN-NJYVYQBISA-N 2 2 312.501 4.177 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)C2)cc1 ZINC001172537537 1051452121 /nfs/dbraw/zinc/45/21/21/1051452121.db2.gz PWJNUIQNCKZSRN-HKBOAZHASA-N 2 2 312.501 4.177 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC001172537537 1051452134 /nfs/dbraw/zinc/45/21/34/1051452134.db2.gz PWJNUIQNCKZSRN-HKBOAZHASA-N 2 2 312.501 4.177 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001172717852 1051479591 /nfs/dbraw/zinc/47/95/91/1051479591.db2.gz YYFXTFINOHLUOB-GOSISDBHSA-N 2 2 323.827 4.002 20 0 DIADLP c1cn2cc(C[NH2+]C3CCC(Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001172823515 1051515330 /nfs/dbraw/zinc/51/53/30/1051515330.db2.gz UNELMWSBVFGYFJ-UHFFFAOYSA-N 2 2 319.452 4.225 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082322 1051515459 /nfs/dbraw/zinc/51/54/59/1051515459.db2.gz YPCWHCBCOFXWAV-DEQVHRJGSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)ccc1Cl ZINC001169082322 1051515474 /nfs/dbraw/zinc/51/54/74/1051515474.db2.gz YPCWHCBCOFXWAV-DEQVHRJGSA-N 2 2 313.272 4.269 20 0 DIADLP Cc1ccc2c(c1)C[C@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)CC2 ZINC001172833843 1051520549 /nfs/dbraw/zinc/52/05/49/1051520549.db2.gz BHGBSKUVYMFLTM-HXUWFJFHSA-N 2 2 317.436 4.047 20 0 DIADLP CC[NH+]1CCC([NH+]2CCC(c3ccccc3Cl)CC2)CC1 ZINC001169262321 1051558637 /nfs/dbraw/zinc/55/86/37/1051558637.db2.gz XHKJKKJSQFLWOG-UHFFFAOYSA-N 2 2 306.881 4.004 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](CC2CCC2)c2ccccc2F)CC1 ZINC001169240988 1051562705 /nfs/dbraw/zinc/56/27/05/1051562705.db2.gz ODTMIDJPRGBYDI-IBGZPJMESA-N 2 2 304.453 4.131 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000178257623 1051565929 /nfs/dbraw/zinc/56/59/29/1051565929.db2.gz PULVBOBYTXHJCQ-INIZCTEOSA-N 2 2 324.468 4.472 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000178757608 1051586429 /nfs/dbraw/zinc/58/64/29/1051586429.db2.gz KZGSWXZCXOOZSW-UWVAXJGDSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000178757608 1051586441 /nfs/dbraw/zinc/58/64/41/1051586441.db2.gz KZGSWXZCXOOZSW-UWVAXJGDSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001173205510 1051642645 /nfs/dbraw/zinc/64/26/45/1051642645.db2.gz PLFJFIRBDYNQNA-QGZVFWFLSA-N 2 2 319.452 4.168 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173206091 1051644751 /nfs/dbraw/zinc/64/47/51/1051644751.db2.gz SKZYGEPZEHQOJI-ROUUACIJSA-N 2 2 310.485 4.137 20 0 DIADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173206094 1051645384 /nfs/dbraw/zinc/64/53/84/1051645384.db2.gz SKZYGEPZEHQOJI-ZWKOTPCHSA-N 2 2 310.485 4.137 20 0 DIADLP CCc1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001173239017 1051672847 /nfs/dbraw/zinc/67/28/47/1051672847.db2.gz MBCKZNRBBFIKHL-KRWDZBQOSA-N 2 2 319.452 4.156 20 0 DIADLP F[C@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001173347789 1051705564 /nfs/dbraw/zinc/70/55/64/1051705564.db2.gz ALPLYQRFHGHHTD-CEXWTWQISA-N 2 2 322.512 4.388 20 0 DIADLP F[C@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@H]1[NH+]1CCCC1 ZINC001173347789 1051705570 /nfs/dbraw/zinc/70/55/70/1051705570.db2.gz ALPLYQRFHGHHTD-CEXWTWQISA-N 2 2 322.512 4.388 20 0 DIADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768169204 1051892015 /nfs/dbraw/zinc/89/20/15/1051892015.db2.gz SGYCKLHZUKCNJF-UHFFFAOYSA-N 2 2 320.839 4.173 20 0 DIADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c(F)cccc2Cl)cc1 ZINC000768169204 1051892030 /nfs/dbraw/zinc/89/20/30/1051892030.db2.gz SGYCKLHZUKCNJF-UHFFFAOYSA-N 2 2 320.839 4.173 20 0 DIADLP C[NH+](C)Cc1ccccc1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC001173928710 1051899812 /nfs/dbraw/zinc/89/98/12/1051899812.db2.gz AXSQOEGLCIJFIA-UHFFFAOYSA-N 2 2 311.816 4.115 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000192163737 1052001305 /nfs/dbraw/zinc/00/13/05/1052001305.db2.gz MKJMJGHXMXRXEJ-NRFANRHFSA-N 2 2 317.436 4.422 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000769408088 1052042713 /nfs/dbraw/zinc/04/27/13/1052042713.db2.gz RSFUFFSRCCRDTF-HIFRSBDPSA-N 2 2 320.506 4.229 20 0 DIADLP Cc1cn2cc(Nc3ccc4c(c3)[nH+]cn4C(C)C)ccc2[nH+]1 ZINC001174382397 1052143883 /nfs/dbraw/zinc/14/38/83/1052143883.db2.gz OCDKTXMSZVVHOO-UHFFFAOYSA-N 2 2 305.385 4.317 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000494846903 1052149854 /nfs/dbraw/zinc/14/98/54/1052149854.db2.gz RXQICMHRPHKDMB-NSHDSACASA-N 2 2 317.380 4.145 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000494953797 1052181471 /nfs/dbraw/zinc/18/14/71/1052181471.db2.gz JXVMASFEKLFONN-GOEBONIOSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000494953797 1052181465 /nfs/dbraw/zinc/18/14/65/1052181465.db2.gz JXVMASFEKLFONN-GOEBONIOSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000494953797 1052181472 /nfs/dbraw/zinc/18/14/72/1052181472.db2.gz JXVMASFEKLFONN-GOEBONIOSA-N 2 2 324.896 4.043 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000494953797 1052181474 /nfs/dbraw/zinc/18/14/74/1052181474.db2.gz JXVMASFEKLFONN-GOEBONIOSA-N 2 2 324.896 4.043 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000495023353 1052198761 /nfs/dbraw/zinc/19/87/61/1052198761.db2.gz AMIAYXRQARDMEF-UZLBHIALSA-N 2 2 309.457 4.097 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445874 1052227660 /nfs/dbraw/zinc/22/76/60/1052227660.db2.gz BRRCZYWMBBMGKQ-BPUTZDHNSA-N 2 2 300.471 4.179 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445874 1052227670 /nfs/dbraw/zinc/22/76/70/1052227670.db2.gz BRRCZYWMBBMGKQ-BPUTZDHNSA-N 2 2 300.471 4.179 20 0 DIADLP Cc1ccc2cc([C@@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc2c1 ZINC000495259991 1052277026 /nfs/dbraw/zinc/27/70/26/1052277026.db2.gz OZNCWCJUMZHXFR-OAHLLOKOSA-N 2 2 323.440 4.167 20 0 DIADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000315081294 1052331300 /nfs/dbraw/zinc/33/13/00/1052331300.db2.gz KKOXFXQHBGCCPI-UHFFFAOYSA-N 2 2 324.896 4.093 20 0 DIADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000315081294 1052331307 /nfs/dbraw/zinc/33/13/07/1052331307.db2.gz KKOXFXQHBGCCPI-UHFFFAOYSA-N 2 2 324.896 4.093 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000315633881 1052346674 /nfs/dbraw/zinc/34/66/74/1052346674.db2.gz YDDLTGSSCQWMKV-WBMJQRKESA-N 2 2 323.843 4.441 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000915228008 1052371044 /nfs/dbraw/zinc/37/10/44/1052371044.db2.gz REWJXYKNSRRUKP-WAOWUJCRSA-N 2 2 323.484 4.380 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000915228005 1052371110 /nfs/dbraw/zinc/37/11/10/1052371110.db2.gz REWJXYKNSRRUKP-BBTUJRGHSA-N 2 2 323.484 4.380 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C3(c4ccccc4)CCCC3)cc2)c[nH+]1 ZINC000236632672 1052429179 /nfs/dbraw/zinc/42/91/79/1052429179.db2.gz IMKCFIOGTUWYAE-UHFFFAOYSA-N 2 2 317.436 4.431 20 0 DIADLP CC(C)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000236645182 1052429391 /nfs/dbraw/zinc/42/93/91/1052429391.db2.gz UFCWNANJSIYOSV-FQEVSTJZSA-N 2 2 323.484 4.427 20 0 DIADLP Cc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000237659052 1052443155 /nfs/dbraw/zinc/44/31/55/1052443155.db2.gz ZKHSULUUBQWNTA-NRFANRHFSA-N 2 2 321.468 4.100 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222197911 1052460104 /nfs/dbraw/zinc/46/01/04/1052460104.db2.gz PRNDBHLGFLMNTH-FQEVSTJZSA-N 2 2 322.477 4.382 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222197911 1052460107 /nfs/dbraw/zinc/46/01/07/1052460107.db2.gz PRNDBHLGFLMNTH-FQEVSTJZSA-N 2 2 322.477 4.382 20 0 DIADLP c1ccc(Oc2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)cc1 ZINC001222237142 1052466940 /nfs/dbraw/zinc/46/69/40/1052466940.db2.gz FFRLBXNRWJCZQK-NRFANRHFSA-N 2 2 322.452 4.197 20 0 DIADLP c1ccc(Oc2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)cc1 ZINC001222237142 1052466946 /nfs/dbraw/zinc/46/69/46/1052466946.db2.gz FFRLBXNRWJCZQK-NRFANRHFSA-N 2 2 322.452 4.197 20 0 DIADLP c1ccc(Oc2cccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2)cc1 ZINC001222238009 1052467161 /nfs/dbraw/zinc/46/71/61/1052467161.db2.gz YGBRHWBXMWHZJK-NRFANRHFSA-N 2 2 322.452 4.197 20 0 DIADLP c1ccc(Oc2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2)cc1 ZINC001222238009 1052467166 /nfs/dbraw/zinc/46/71/66/1052467166.db2.gz YGBRHWBXMWHZJK-NRFANRHFSA-N 2 2 322.452 4.197 20 0 DIADLP c1cc(-c2csc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2)cs1 ZINC001222252630 1052468789 /nfs/dbraw/zinc/46/87/89/1052468789.db2.gz IBOMZNHJHBXNRL-KRWDZBQOSA-N 2 2 318.511 4.195 20 0 DIADLP c1cc(-c2csc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2)cs1 ZINC001222252630 1052468793 /nfs/dbraw/zinc/46/87/93/1052468793.db2.gz IBOMZNHJHBXNRL-KRWDZBQOSA-N 2 2 318.511 4.195 20 0 DIADLP Fc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1-c1ccccc1 ZINC001222259419 1052470430 /nfs/dbraw/zinc/47/04/30/1052470430.db2.gz PHECEMFPMJRNEW-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1-c1ccccc1 ZINC001222259419 1052470433 /nfs/dbraw/zinc/47/04/33/1052470433.db2.gz PHECEMFPMJRNEW-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP CSc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277168 1052472427 /nfs/dbraw/zinc/47/24/27/1052472427.db2.gz KWVYMTUCHCGKAJ-KRWDZBQOSA-N 2 2 324.921 4.028 20 0 DIADLP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277168 1052472430 /nfs/dbraw/zinc/47/24/30/1052472430.db2.gz KWVYMTUCHCGKAJ-KRWDZBQOSA-N 2 2 324.921 4.028 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000316783436 1052472879 /nfs/dbraw/zinc/47/28/79/1052472879.db2.gz MXWHIDMSFVFRCC-KKUMJFAQSA-N 2 2 300.446 4.129 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000316783436 1052472880 /nfs/dbraw/zinc/47/28/80/1052472880.db2.gz MXWHIDMSFVFRCC-KKUMJFAQSA-N 2 2 300.446 4.129 20 0 DIADLP CCc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)ccc1Cl ZINC001222298256 1052475610 /nfs/dbraw/zinc/47/56/10/1052475610.db2.gz RPJOEBJGOQOYOD-UHFFFAOYSA-N 2 2 306.881 4.011 20 0 DIADLP Cc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc(C)c1Cl ZINC001222297503 1052475975 /nfs/dbraw/zinc/47/59/75/1052475975.db2.gz GISLMEMGRODLCS-UHFFFAOYSA-N 2 2 306.881 4.065 20 0 DIADLP Cc1c(Cl)ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1C ZINC001222304145 1052477550 /nfs/dbraw/zinc/47/75/50/1052477550.db2.gz YDLUECNPGIGMSO-UHFFFAOYSA-N 2 2 306.881 4.065 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc12 ZINC001222355630 1052489593 /nfs/dbraw/zinc/48/95/93/1052489593.db2.gz RZZCPICCMYUCBV-NRFANRHFSA-N 2 2 320.436 4.304 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc12 ZINC001222355630 1052489595 /nfs/dbraw/zinc/48/95/95/1052489595.db2.gz RZZCPICCMYUCBV-NRFANRHFSA-N 2 2 320.436 4.304 20 0 DIADLP c1cc(-c2cccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)cs1 ZINC001222353677 1052489648 /nfs/dbraw/zinc/48/96/48/1052489648.db2.gz FFNGPAQLUMBGMY-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)cs1 ZINC001222353677 1052489652 /nfs/dbraw/zinc/48/96/52/1052489652.db2.gz FFNGPAQLUMBGMY-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001222361093 1052490727 /nfs/dbraw/zinc/49/07/27/1052490727.db2.gz BKJXTDGEPCVALW-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001222361093 1052490730 /nfs/dbraw/zinc/49/07/30/1052490730.db2.gz BKJXTDGEPCVALW-HNNXBMFYSA-N 2 2 321.251 4.193 20 0 DIADLP c1c2ccccc2sc1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385475 1052493860 /nfs/dbraw/zinc/49/38/60/1052493860.db2.gz OCBFEKLFLZVCDW-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP c1c2ccccc2sc1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385475 1052493867 /nfs/dbraw/zinc/49/38/67/1052493867.db2.gz OCBFEKLFLZVCDW-GOSISDBHSA-N 2 2 300.471 4.009 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000326441614 1052555595 /nfs/dbraw/zinc/55/55/95/1052555595.db2.gz ZNDAKRZJAJIIQY-HXUWFJFHSA-N 2 2 321.468 4.341 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1Cl ZINC000037140862 1052606034 /nfs/dbraw/zinc/60/60/34/1052606034.db2.gz HVDBWJPVSIOHJY-LLVKDONJSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649380 1052627753 /nfs/dbraw/zinc/62/77/53/1052627753.db2.gz KYMAXXKESKGZIH-NWDGAFQWSA-N 2 2 313.272 4.128 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)ccc1Cl ZINC000037649380 1052627758 /nfs/dbraw/zinc/62/77/58/1052627758.db2.gz KYMAXXKESKGZIH-NWDGAFQWSA-N 2 2 313.272 4.128 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000556063626 1052795640 /nfs/dbraw/zinc/79/56/40/1052795640.db2.gz OGWIMEOFEKLONV-GDBMZVCRSA-N 2 2 320.889 4.327 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000556063626 1052795642 /nfs/dbraw/zinc/79/56/42/1052795642.db2.gz OGWIMEOFEKLONV-GDBMZVCRSA-N 2 2 320.889 4.327 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001227264603 1052978069 /nfs/dbraw/zinc/97/80/69/1052978069.db2.gz OTTNCKOXFBVRSB-PMOLBWCYSA-N 2 2 322.452 4.273 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001227264603 1052978073 /nfs/dbraw/zinc/97/80/73/1052978073.db2.gz OTTNCKOXFBVRSB-PMOLBWCYSA-N 2 2 322.452 4.273 20 0 DIADLP Cc1[nH]c2ccc(O[C@@H](CC[NH+](C)C)c3cccs3)cc2[nH+]1 ZINC001228327578 1053073294 /nfs/dbraw/zinc/07/32/94/1053073294.db2.gz RTZDABRUPOKIIY-INIZCTEOSA-N 2 2 315.442 4.005 20 0 DIADLP CCCC[C@@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318897746 1053203762 /nfs/dbraw/zinc/20/37/62/1053203762.db2.gz QWYFCPQSZUKOJS-OAHLLOKOSA-N 2 2 314.433 4.121 20 0 DIADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383069 1053240141 /nfs/dbraw/zinc/24/01/41/1053240141.db2.gz IZBZPEINSOWNCI-WDEREUQCSA-N 2 2 321.317 4.437 20 0 DIADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383069 1053240145 /nfs/dbraw/zinc/24/01/45/1053240145.db2.gz IZBZPEINSOWNCI-WDEREUQCSA-N 2 2 321.317 4.437 20 0 DIADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000091264056 1053256223 /nfs/dbraw/zinc/25/62/23/1053256223.db2.gz MKBRWQPRGBQNNT-HNNXBMFYSA-N 2 2 312.244 4.177 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000091284354 1053258677 /nfs/dbraw/zinc/25/86/77/1053258677.db2.gz ZFWUFRKNQHXLBT-OAQYLSRUSA-N 2 2 319.452 4.418 20 0 DIADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000252439328 1053266962 /nfs/dbraw/zinc/26/69/62/1053266962.db2.gz NEFRTTQGSWXNHR-GHMZBOCLSA-N 2 2 319.251 4.125 20 0 DIADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000252439328 1053266970 /nfs/dbraw/zinc/26/69/70/1053266970.db2.gz NEFRTTQGSWXNHR-GHMZBOCLSA-N 2 2 319.251 4.125 20 0 DIADLP CCCCC[C@@H](CC)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319942160 1053286859 /nfs/dbraw/zinc/28/68/59/1053286859.db2.gz FZLWJNKTEWKABD-OAHLLOKOSA-N 2 2 314.433 4.121 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1OC(F)F ZINC000261906553 1053540033 /nfs/dbraw/zinc/54/00/33/1053540033.db2.gz PMQDTKQVJBYQAY-KNXALSJPSA-N 2 2 318.367 4.083 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)c(F)c1 ZINC001325744918 1053726084 /nfs/dbraw/zinc/72/60/84/1053726084.db2.gz WTULCTSCTUYLPW-HKJPBSJPSA-N 2 2 304.796 4.275 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000267272348 1053738368 /nfs/dbraw/zinc/73/83/68/1053738368.db2.gz SOLUHDPWMIPQED-CVEARBPZSA-N 2 2 321.424 4.293 20 0 DIADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCCC(C)(C)C ZINC001326377948 1053779301 /nfs/dbraw/zinc/77/93/01/1053779301.db2.gz PGDNHLGTMKWEBJ-UHFFFAOYSA-N 2 2 314.433 4.121 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccccc1C ZINC001231809218 1053867297 /nfs/dbraw/zinc/86/72/97/1053867297.db2.gz ISRGREUSIHWZLM-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccccc1C ZINC001231809218 1053867315 /nfs/dbraw/zinc/86/73/15/1053867315.db2.gz ISRGREUSIHWZLM-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824325 1053879354 /nfs/dbraw/zinc/87/93/54/1053879354.db2.gz ACFVXUSFJOYHSW-GHTZIAJQSA-N 2 2 324.443 4.019 20 0 DIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824325 1053879366 /nfs/dbraw/zinc/87/93/66/1053879366.db2.gz ACFVXUSFJOYHSW-GHTZIAJQSA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824325 1053879378 /nfs/dbraw/zinc/87/93/78/1053879378.db2.gz ACFVXUSFJOYHSW-GHTZIAJQSA-N 2 2 324.443 4.019 20 0 DIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001231824325 1053879384 /nfs/dbraw/zinc/87/93/84/1053879384.db2.gz ACFVXUSFJOYHSW-GHTZIAJQSA-N 2 2 324.443 4.019 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000315529176 1053910166 /nfs/dbraw/zinc/91/01/66/1053910166.db2.gz GARRNNITSJUVKX-ZDUSSCGKSA-N 2 2 311.351 4.033 20 0 DIADLP Fc1ccc(F)c([C@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014611 1053942395 /nfs/dbraw/zinc/94/23/95/1053942395.db2.gz SLBUKXXHVBRVTE-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc(F)c([C@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)c1 ZINC001232014611 1053942407 /nfs/dbraw/zinc/94/24/07/1053942407.db2.gz SLBUKXXHVBRVTE-GOSISDBHSA-N 2 2 313.351 4.178 20 0 DIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763653370 1053946055 /nfs/dbraw/zinc/94/60/55/1053946055.db2.gz ZXFXUCUZGGWZBC-QXPQOBGOSA-N 2 2 319.320 4.282 20 0 DIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763653370 1053946063 /nfs/dbraw/zinc/94/60/63/1053946063.db2.gz ZXFXUCUZGGWZBC-QXPQOBGOSA-N 2 2 319.320 4.282 20 0 DIADLP CC[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165573784 1054079361 /nfs/dbraw/zinc/07/93/61/1054079361.db2.gz BBBFURMCEKWJSZ-KRWDZBQOSA-N 2 2 319.452 4.487 20 0 DIADLP CC(C)[N@H+](Cc1ccc2ccsc2c1)C1CC[NH+](C)CC1 ZINC001232611823 1054083654 /nfs/dbraw/zinc/08/36/54/1054083654.db2.gz BEDVLTKAHLNFAY-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP CC(C)[N@@H+](Cc1ccc2ccsc2c1)C1CC[NH+](C)CC1 ZINC001232611823 1054083659 /nfs/dbraw/zinc/08/36/59/1054083659.db2.gz BEDVLTKAHLNFAY-UHFFFAOYSA-N 2 2 302.487 4.206 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(C3CC3)cc2)C2CCCC2)CC1 ZINC001232986545 1054165337 /nfs/dbraw/zinc/16/53/37/1054165337.db2.gz JUUGJHOGTRPDKS-UHFFFAOYSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(C3CC3)cc2)C2CCCC2)CC1 ZINC001232986545 1054165342 /nfs/dbraw/zinc/16/53/42/1054165342.db2.gz JUUGJHOGTRPDKS-UHFFFAOYSA-N 2 2 312.501 4.403 20 0 DIADLP Cc1cnc([C@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C2CC2)s1 ZINC001333655179 1054166383 /nfs/dbraw/zinc/16/63/83/1054166383.db2.gz RCKZVDYBYQLJGU-QGZVFWFLSA-N 2 2 321.534 4.003 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccsc1Cl ZINC001233058629 1054180652 /nfs/dbraw/zinc/18/06/52/1054180652.db2.gz RNISMAZJGJOPOM-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccsc1Cl ZINC001233058629 1054180658 /nfs/dbraw/zinc/18/06/58/1054180658.db2.gz RNISMAZJGJOPOM-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC001233058629 1054180664 /nfs/dbraw/zinc/18/06/64/1054180664.db2.gz RNISMAZJGJOPOM-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC001233058629 1054180671 /nfs/dbraw/zinc/18/06/71/1054180671.db2.gz RNISMAZJGJOPOM-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP Cc1[nH]c(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC001234636454 1054562554 /nfs/dbraw/zinc/56/25/54/1054562554.db2.gz YWEMHHWYAKDJMD-NRFANRHFSA-N 2 2 317.436 4.174 20 0 DIADLP Cc1[nH]c(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC001234636454 1054562563 /nfs/dbraw/zinc/56/25/63/1054562563.db2.gz YWEMHHWYAKDJMD-NRFANRHFSA-N 2 2 317.436 4.174 20 0 DIADLP CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000623379428 1054580414 /nfs/dbraw/zinc/58/04/14/1054580414.db2.gz PJHHZXARYLNTKL-UHFFFAOYSA-N 2 2 307.388 4.033 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177935407 1054638386 /nfs/dbraw/zinc/63/83/86/1054638386.db2.gz MZXDYMBNIYWIHG-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC1(C)C ZINC000623645112 1054640821 /nfs/dbraw/zinc/64/08/21/1054640821.db2.gz OQCOFSOKCSUBMX-LBPRGKRZSA-N 2 2 306.837 4.049 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC1(C)C ZINC000623645112 1054640825 /nfs/dbraw/zinc/64/08/25/1054640825.db2.gz OQCOFSOKCSUBMX-LBPRGKRZSA-N 2 2 306.837 4.049 20 0 DIADLP C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000178118206 1054644420 /nfs/dbraw/zinc/64/44/20/1054644420.db2.gz UZGXPUJUKOHBBY-LJQANCHMSA-N 2 2 314.860 4.113 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000178302262 1054649615 /nfs/dbraw/zinc/64/96/15/1054649615.db2.gz MFLLNONTVNWBNM-HHXXYDBFSA-N 2 2 312.457 4.292 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000178302262 1054649623 /nfs/dbraw/zinc/64/96/23/1054649623.db2.gz MFLLNONTVNWBNM-HHXXYDBFSA-N 2 2 312.457 4.292 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235111050 1054660026 /nfs/dbraw/zinc/66/00/26/1054660026.db2.gz OGVKRSDNMRGNEN-JOCHJYFZSA-N 2 2 320.480 4.298 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235111050 1054660035 /nfs/dbraw/zinc/66/00/35/1054660035.db2.gz OGVKRSDNMRGNEN-JOCHJYFZSA-N 2 2 320.480 4.298 20 0 DIADLP Fc1ccc(-c2cccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c2)cc1 ZINC001235114206 1054660471 /nfs/dbraw/zinc/66/04/71/1054660471.db2.gz BIZTXZCIGLPRPT-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2cccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c2)cc1 ZINC001235114206 1054660476 /nfs/dbraw/zinc/66/04/76/1054660476.db2.gz BIZTXZCIGLPRPT-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP c1ccc(-c2ccccc2C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235122415 1054662346 /nfs/dbraw/zinc/66/23/46/1054662346.db2.gz UICAVRAARGNFMU-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2ccccc2C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235122415 1054662353 /nfs/dbraw/zinc/66/23/53/1054662353.db2.gz UICAVRAARGNFMU-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001235177638 1054674848 /nfs/dbraw/zinc/67/48/48/1054674848.db2.gz VCXCLTLVICBRKO-UHFFFAOYSA-N 2 2 306.500 4.003 20 0 DIADLP C[N@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001235342027 1054705282 /nfs/dbraw/zinc/70/52/82/1054705282.db2.gz GMYLBPIXQUUZKJ-QGZVFWFLSA-N 2 2 319.452 4.019 20 0 DIADLP C[N@@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001235342027 1054705298 /nfs/dbraw/zinc/70/52/98/1054705298.db2.gz GMYLBPIXQUUZKJ-QGZVFWFLSA-N 2 2 319.452 4.019 20 0 DIADLP C[N@H+](CCn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001473431560 1054720447 /nfs/dbraw/zinc/72/04/47/1054720447.db2.gz GLIIKBXUDQHXTO-SFHVURJKSA-N 2 2 317.864 4.400 20 0 DIADLP C[N@@H+](CCn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001473431560 1054720461 /nfs/dbraw/zinc/72/04/61/1054720461.db2.gz GLIIKBXUDQHXTO-SFHVURJKSA-N 2 2 317.864 4.400 20 0 DIADLP C[NH2+]C1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1 ZINC001235788110 1054806537 /nfs/dbraw/zinc/80/65/37/1054806537.db2.gz CKZWXCXEXSECRG-UHFFFAOYSA-N 2 2 316.533 4.465 20 0 DIADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(C)sc1C ZINC000623964909 1054837534 /nfs/dbraw/zinc/83/75/34/1054837534.db2.gz UAWFZDSIKJGMFE-GOEBONIOSA-N 2 2 303.475 4.007 20 0 DIADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907633 1054845202 /nfs/dbraw/zinc/84/52/02/1054845202.db2.gz RIXWCVSGRIVSLP-WMLDXEAASA-N 2 2 314.860 4.319 20 0 DIADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235907633 1054845208 /nfs/dbraw/zinc/84/52/08/1054845208.db2.gz RIXWCVSGRIVSLP-WMLDXEAASA-N 2 2 314.860 4.319 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001235926988 1054851215 /nfs/dbraw/zinc/85/12/15/1054851215.db2.gz FBWZCJQRPZKYES-GOSISDBHSA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001235926988 1054851228 /nfs/dbraw/zinc/85/12/28/1054851228.db2.gz FBWZCJQRPZKYES-GOSISDBHSA-N 2 2 324.468 4.064 20 0 DIADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(C)c1-c1ccc(F)cc1 ZINC001235947910 1054864268 /nfs/dbraw/zinc/86/42/68/1054864268.db2.gz MBSBQZBPKAIFNO-UHFFFAOYSA-N 2 2 314.448 4.279 20 0 DIADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)cc(C)c1-c1ccc(F)cc1 ZINC001235947910 1054864271 /nfs/dbraw/zinc/86/42/71/1054864271.db2.gz MBSBQZBPKAIFNO-UHFFFAOYSA-N 2 2 314.448 4.279 20 0 DIADLP Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2F)cn2cc[nH+]c12 ZINC001236015245 1054896779 /nfs/dbraw/zinc/89/67/79/1054896779.db2.gz NOFOSDYTFQIPDZ-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181069399 1054900326 /nfs/dbraw/zinc/90/03/26/1054900326.db2.gz DFRVUEHKRFEGCD-GFCCVEGCSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181069399 1054900336 /nfs/dbraw/zinc/90/03/36/1054900336.db2.gz DFRVUEHKRFEGCD-GFCCVEGCSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051960 1054917206 /nfs/dbraw/zinc/91/72/06/1054917206.db2.gz OLPAHRPRYYTSMF-DZGCQCFKSA-N 2 2 310.466 4.224 20 0 DIADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001236051960 1054917215 /nfs/dbraw/zinc/91/72/15/1054917215.db2.gz OLPAHRPRYYTSMF-DZGCQCFKSA-N 2 2 310.466 4.224 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236051871 1054917249 /nfs/dbraw/zinc/91/72/49/1054917249.db2.gz OALSYUIMDHDEEH-YWZLYKJASA-N 2 2 308.469 4.140 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236051871 1054917259 /nfs/dbraw/zinc/91/72/59/1054917259.db2.gz OALSYUIMDHDEEH-YWZLYKJASA-N 2 2 308.469 4.140 20 0 DIADLP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1F ZINC000181925839 1054947626 /nfs/dbraw/zinc/94/76/26/1054947626.db2.gz HTILEHOPMUXLIC-SFHVURJKSA-N 2 2 324.871 4.393 20 0 DIADLP CC[N@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1c(F)cccc1Cl ZINC001236105053 1054948945 /nfs/dbraw/zinc/94/89/45/1054948945.db2.gz QOVUBLGBYNFPCX-UHFFFAOYSA-N 2 2 318.823 4.104 20 0 DIADLP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)Cc1c(F)cccc1Cl ZINC001236105053 1054948958 /nfs/dbraw/zinc/94/89/58/1054948958.db2.gz QOVUBLGBYNFPCX-UHFFFAOYSA-N 2 2 318.823 4.104 20 0 DIADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001236143882 1054968083 /nfs/dbraw/zinc/96/80/83/1054968083.db2.gz MIXGBCAFIKEVNT-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001236143882 1054968097 /nfs/dbraw/zinc/96/80/97/1054968097.db2.gz MIXGBCAFIKEVNT-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP Cc1csc2sc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c(C)c12 ZINC001236207066 1055000027 /nfs/dbraw/zinc/00/00/27/1055000027.db2.gz NVIPHGFEOOWIMA-INIZCTEOSA-N 2 2 308.516 4.154 20 0 DIADLP Cc1csc2sc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c(C)c12 ZINC001236207066 1055000036 /nfs/dbraw/zinc/00/00/36/1055000036.db2.gz NVIPHGFEOOWIMA-INIZCTEOSA-N 2 2 308.516 4.154 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215076 1055001884 /nfs/dbraw/zinc/00/18/84/1055001884.db2.gz VSRMEFTZGAYKIX-IAGOWNOFSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215076 1055001900 /nfs/dbraw/zinc/00/19/00/1055001900.db2.gz VSRMEFTZGAYKIX-IAGOWNOFSA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212438 1055003006 /nfs/dbraw/zinc/00/30/06/1055003006.db2.gz LPRMRIIHHCYSTC-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212438 1055002995 /nfs/dbraw/zinc/00/29/95/1055002995.db2.gz LPRMRIIHHCYSTC-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1ccc(-c2cccs2)s1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216974 1055003900 /nfs/dbraw/zinc/00/39/00/1055003900.db2.gz MIVHHYDFZVRCGV-KGLIPLIRSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@@H+](Cc1ccc(-c2cccs2)s1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216974 1055003916 /nfs/dbraw/zinc/00/39/16/1055003916.db2.gz MIVHHYDFZVRCGV-KGLIPLIRSA-N 2 2 306.500 4.178 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218841 1055008233 /nfs/dbraw/zinc/00/82/33/1055008233.db2.gz UENLLELASONRMA-SJORKVTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218841 1055008243 /nfs/dbraw/zinc/00/82/43/1055008243.db2.gz UENLLELASONRMA-SJORKVTESA-N 2 2 318.848 4.302 20 0 DIADLP Fc1cc(-c2[nH+]ccc3[nH]ccc32)ccc1C[NH+]1CCCCC1 ZINC001236231517 1055021523 /nfs/dbraw/zinc/02/15/23/1055021523.db2.gz BXIZEDQDPHZMGD-UHFFFAOYSA-N 2 2 309.388 4.355 20 0 DIADLP CCC[N@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236330189 1055060763 /nfs/dbraw/zinc/06/07/63/1055060763.db2.gz UDFPZVTYWNTHCN-GOSISDBHSA-N 2 2 312.432 4.067 20 0 DIADLP CCC[N@@H+](Cc1ccc(F)c(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236330189 1055060773 /nfs/dbraw/zinc/06/07/73/1055060773.db2.gz UDFPZVTYWNTHCN-GOSISDBHSA-N 2 2 312.432 4.067 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236417606 1055105582 /nfs/dbraw/zinc/10/55/82/1055105582.db2.gz BZFDBJQJSFHZIS-UWJYYQICSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236417606 1055105586 /nfs/dbraw/zinc/10/55/86/1055105586.db2.gz BZFDBJQJSFHZIS-UWJYYQICSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236421022 1055106617 /nfs/dbraw/zinc/10/66/17/1055106617.db2.gz RQRHANMTKSCZNC-YLJYHZDGSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236421022 1055106621 /nfs/dbraw/zinc/10/66/21/1055106621.db2.gz RQRHANMTKSCZNC-YLJYHZDGSA-N 2 2 323.484 4.075 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2c(C)cccc2C)c1 ZINC001236421244 1055107637 /nfs/dbraw/zinc/10/76/37/1055107637.db2.gz GKUSVFXEQIIJPB-HXUWFJFHSA-N 2 2 308.469 4.154 20 0 DIADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2c(C)cccc2C)c1 ZINC001236421244 1055107645 /nfs/dbraw/zinc/10/76/45/1055107645.db2.gz GKUSVFXEQIIJPB-HXUWFJFHSA-N 2 2 308.469 4.154 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)ccc21 ZINC001236423099 1055107703 /nfs/dbraw/zinc/10/77/03/1055107703.db2.gz ZBGBBWQCPDSVPR-HNAYVOBHSA-N 2 2 321.468 4.126 20 0 DIADLP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)ccc21 ZINC001236423099 1055107711 /nfs/dbraw/zinc/10/77/11/1055107711.db2.gz ZBGBBWQCPDSVPR-HNAYVOBHSA-N 2 2 321.468 4.126 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001236436454 1055112118 /nfs/dbraw/zinc/11/21/18/1055112118.db2.gz JTRZZGLCKWQNHI-UHFFFAOYSA-N 2 2 305.425 4.285 20 0 DIADLP CC(C)=CCC[C@@H](C)C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236438259 1055113534 /nfs/dbraw/zinc/11/35/34/1055113534.db2.gz UQJWYGZDMBSIGI-UYAOXDASSA-N 2 2 315.505 4.018 20 0 DIADLP CC(C)=CCC[C@@H](C)C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236438259 1055113536 /nfs/dbraw/zinc/11/35/36/1055113536.db2.gz UQJWYGZDMBSIGI-UYAOXDASSA-N 2 2 315.505 4.018 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001236437280 1055113586 /nfs/dbraw/zinc/11/35/86/1055113586.db2.gz UUEWWSLQPNCBFO-UHFFFAOYSA-N 2 2 305.425 4.489 20 0 DIADLP CC(C)C[NH2+]Cc1ccc(-c2ccc(-c3c[nH+]cn3C)cc2)cc1 ZINC001236448433 1055119781 /nfs/dbraw/zinc/11/97/81/1055119781.db2.gz QVGDGOATTKDSQV-UHFFFAOYSA-N 2 2 319.452 4.500 20 0 DIADLP CC(C)Oc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236467474 1055129164 /nfs/dbraw/zinc/12/91/64/1055129164.db2.gz DYNSUXSMJLYHOG-MRXNPFEDSA-N 2 2 324.896 4.090 20 0 DIADLP CC(C)Oc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236467474 1055129171 /nfs/dbraw/zinc/12/91/71/1055129171.db2.gz DYNSUXSMJLYHOG-MRXNPFEDSA-N 2 2 324.896 4.090 20 0 DIADLP Fc1cccc(F)c1C[N@H+](CC1CCCCC1)C1CC[NH2+]CC1 ZINC001236511256 1055154186 /nfs/dbraw/zinc/15/41/86/1055154186.db2.gz MNGBLQFFFPKOTF-UHFFFAOYSA-N 2 2 322.443 4.099 20 0 DIADLP Fc1cccc(F)c1C[N@@H+](CC1CCCCC1)C1CC[NH2+]CC1 ZINC001236511256 1055154193 /nfs/dbraw/zinc/15/41/93/1055154193.db2.gz MNGBLQFFFPKOTF-UHFFFAOYSA-N 2 2 322.443 4.099 20 0 DIADLP Cc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)c2ccccc12 ZINC001236521359 1055160355 /nfs/dbraw/zinc/16/03/55/1055160355.db2.gz OSQFMEZBDMZHBY-UHFFFAOYSA-N 2 2 304.437 4.109 20 0 DIADLP Cc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)c2ccccc12 ZINC001236521359 1055160361 /nfs/dbraw/zinc/16/03/61/1055160361.db2.gz OSQFMEZBDMZHBY-UHFFFAOYSA-N 2 2 304.437 4.109 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000764593385 1055217548 /nfs/dbraw/zinc/21/75/48/1055217548.db2.gz AOIFBWHGDKAGIV-TZMCWYRMSA-N 2 2 314.445 4.136 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000764593385 1055217553 /nfs/dbraw/zinc/21/75/53/1055217553.db2.gz AOIFBWHGDKAGIV-TZMCWYRMSA-N 2 2 314.445 4.136 20 0 DIADLP CC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236910416 1055313927 /nfs/dbraw/zinc/31/39/27/1055313927.db2.gz BTEDFVSAJPTUBI-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CCCC1 ZINC001236916748 1055316298 /nfs/dbraw/zinc/31/62/98/1055316298.db2.gz OYTNHVMCPOMKQG-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CCCC1 ZINC001236916748 1055316315 /nfs/dbraw/zinc/31/63/15/1055316315.db2.gz OYTNHVMCPOMKQG-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(C[N@@H+]2CCC3(CCCC3)C2)ccc1-n1cc[nH+]c1 ZINC001236914893 1055316902 /nfs/dbraw/zinc/31/69/02/1055316902.db2.gz WVFLMJRUTOLPQC-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP Clc1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1-n1cc[nH+]c1 ZINC001236914893 1055316917 /nfs/dbraw/zinc/31/69/17/1055316917.db2.gz WVFLMJRUTOLPQC-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCCC12CC2 ZINC001236917747 1055317207 /nfs/dbraw/zinc/31/72/07/1055317207.db2.gz VNMQAICVBCJXSO-UHFFFAOYSA-N 2 2 301.821 4.044 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCCC12CC2 ZINC001236917747 1055317223 /nfs/dbraw/zinc/31/72/23/1055317223.db2.gz VNMQAICVBCJXSO-UHFFFAOYSA-N 2 2 301.821 4.044 20 0 DIADLP C[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914384 1055318673 /nfs/dbraw/zinc/31/86/73/1055318673.db2.gz VHTPMBVGEHSVPL-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914384 1055318688 /nfs/dbraw/zinc/31/86/88/1055318688.db2.gz VHTPMBVGEHSVPL-AWEZNQCLSA-N 2 2 303.837 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCCCCCC1 ZINC001236915906 1055318724 /nfs/dbraw/zinc/31/87/24/1055318724.db2.gz HLLOQCGHAUNMTR-UHFFFAOYSA-N 2 2 303.837 4.292 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160912 1055392107 /nfs/dbraw/zinc/39/21/07/1055392107.db2.gz MCUWQHYIFQCHOM-KRWDZBQOSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160912 1055392120 /nfs/dbraw/zinc/39/21/20/1055392120.db2.gz MCUWQHYIFQCHOM-KRWDZBQOSA-N 2 2 306.881 4.063 20 0 DIADLP Clc1sc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237413955 1055450308 /nfs/dbraw/zinc/45/03/08/1055450308.db2.gz LCNKBJFMTYMAFO-SWLSCSKDSA-N 2 2 320.889 4.129 20 0 DIADLP Clc1sc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC001237413955 1055450315 /nfs/dbraw/zinc/45/03/15/1055450315.db2.gz LCNKBJFMTYMAFO-SWLSCSKDSA-N 2 2 320.889 4.129 20 0 DIADLP Cc1c(Cl)cccc1C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001620946193 1055561051 /nfs/dbraw/zinc/56/10/51/1055561051.db2.gz ITEZWYMZKITBFQ-KRWDZBQOSA-N 2 2 308.897 4.249 20 0 DIADLP CCCCCCc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC001238715954 1055730560 /nfs/dbraw/zinc/73/05/60/1055730560.db2.gz XTJNHPCJWPPVCT-UHFFFAOYSA-N 2 2 308.535 4.397 20 0 DIADLP CCCCCCc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC001238715954 1055730571 /nfs/dbraw/zinc/73/05/71/1055730571.db2.gz XTJNHPCJWPPVCT-UHFFFAOYSA-N 2 2 308.535 4.397 20 0 DIADLP C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000282205243 1055800377 /nfs/dbraw/zinc/80/03/77/1055800377.db2.gz HBOIEQHFRCSDJO-HLIUYOAVSA-N 2 2 319.399 4.347 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC001620569712 1055968152 /nfs/dbraw/zinc/96/81/52/1055968152.db2.gz NRNREIURDDBWFO-UWJYYQICSA-N 2 2 317.436 4.455 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC001620569712 1055968165 /nfs/dbraw/zinc/96/81/65/1055968165.db2.gz NRNREIURDDBWFO-UWJYYQICSA-N 2 2 317.436 4.455 20 0 DIADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC001620793456 1055971929 /nfs/dbraw/zinc/97/19/29/1055971929.db2.gz VJPWZDNDJOZYNZ-ZWKOTPCHSA-N 2 2 324.578 4.154 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000020023381 1055977197 /nfs/dbraw/zinc/97/71/97/1055977197.db2.gz GQHNMPYDVVPJDA-LBPRGKRZSA-N 2 2 303.277 4.376 20 0 DIADLP Cc1cccc([C@H](C)C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001620809330 1056004179 /nfs/dbraw/zinc/00/41/79/1056004179.db2.gz UWTSNFGARQVTCH-OAHLLOKOSA-N 2 2 311.454 4.136 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001239661709 1056010363 /nfs/dbraw/zinc/01/03/63/1056010363.db2.gz MWCYNMNYADSMNJ-GOSISDBHSA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(C(C)C)cc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001239661709 1056010376 /nfs/dbraw/zinc/01/03/76/1056010376.db2.gz MWCYNMNYADSMNJ-GOSISDBHSA-N 2 2 324.468 4.019 20 0 DIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471788 1056317457 /nfs/dbraw/zinc/31/74/57/1056317457.db2.gz NUULCVPRIOIGEK-QRNKSROTSA-N 2 2 320.443 4.065 20 0 DIADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471788 1056317465 /nfs/dbraw/zinc/31/74/65/1056317465.db2.gz NUULCVPRIOIGEK-QRNKSROTSA-N 2 2 320.443 4.065 20 0 DIADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1CCC(C(F)(F)F)CC1 ZINC000474479540 1056318226 /nfs/dbraw/zinc/31/82/26/1056318226.db2.gz YAAKRFFGHWGEFN-QQFBHYJXSA-N 2 2 320.443 4.209 20 0 DIADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713459 1056339936 /nfs/dbraw/zinc/33/99/36/1056339936.db2.gz XFTUQHIZPGKHEV-LBDPXKHJSA-N 2 2 320.443 4.208 20 0 DIADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713459 1056339957 /nfs/dbraw/zinc/33/99/57/1056339957.db2.gz XFTUQHIZPGKHEV-LBDPXKHJSA-N 2 2 320.443 4.208 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716539 1056342867 /nfs/dbraw/zinc/34/28/67/1056342867.db2.gz VGLXSRFEUFOZKM-NFOMZHRRSA-N 2 2 308.432 4.065 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716539 1056342876 /nfs/dbraw/zinc/34/28/76/1056342876.db2.gz VGLXSRFEUFOZKM-NFOMZHRRSA-N 2 2 308.432 4.065 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3C3CCCCC3)cc2)c[nH+]1 ZINC001615194524 1056474827 /nfs/dbraw/zinc/47/48/27/1056474827.db2.gz DYUPFNVOWDBNCG-FQEVSTJZSA-N 2 2 309.457 4.417 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3C3CCCCC3)cc2)c[nH+]1 ZINC001615194524 1056474832 /nfs/dbraw/zinc/47/48/32/1056474832.db2.gz DYUPFNVOWDBNCG-FQEVSTJZSA-N 2 2 309.457 4.417 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC001615563674 1056537443 /nfs/dbraw/zinc/53/74/43/1056537443.db2.gz WWILQMITHBFLEL-UWVAXJGDSA-N 2 2 309.457 4.334 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC001615563674 1056537456 /nfs/dbraw/zinc/53/74/56/1056537456.db2.gz WWILQMITHBFLEL-UWVAXJGDSA-N 2 2 309.457 4.334 20 0 DIADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc12 ZINC001241007330 1056811757 /nfs/dbraw/zinc/81/17/57/1056811757.db2.gz VQDPSCIZGFAVAM-LJQANCHMSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc12 ZINC001241007330 1056811767 /nfs/dbraw/zinc/81/17/67/1056811767.db2.gz VQDPSCIZGFAVAM-LJQANCHMSA-N 2 2 316.448 4.348 20 0 DIADLP CCCCOc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241021549 1056824550 /nfs/dbraw/zinc/82/45/50/1056824550.db2.gz LRANMWDWYXNUJI-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241021549 1056824559 /nfs/dbraw/zinc/82/45/59/1056824559.db2.gz LRANMWDWYXNUJI-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C)(C2CC2)CC1 ZINC001618257905 1056942094 /nfs/dbraw/zinc/94/20/94/1056942094.db2.gz QUSDKSZGIBIDAD-UHFFFAOYSA-N 2 2 309.457 4.193 20 0 DIADLP Cc1ccc(C[NH+]2CCCCC2)cc1-c1c[nH+]c(N(C)C)cc1C ZINC001241251271 1056980461 /nfs/dbraw/zinc/98/04/61/1056980461.db2.gz GKAOPQFYUVEPNA-UHFFFAOYSA-N 2 2 323.484 4.417 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2Cc3cccc(Cl)c3C2)c1 ZINC001168715518 1056984798 /nfs/dbraw/zinc/98/47/98/1056984798.db2.gz OREQBFIUHWZZPM-INIZCTEOSA-N 2 2 323.827 4.002 20 0 DIADLP CCCCOc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001241269551 1056988998 /nfs/dbraw/zinc/98/89/98/1056988998.db2.gz VMIARWDEQFNVSR-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001241269551 1056989001 /nfs/dbraw/zinc/98/90/01/1056989001.db2.gz VMIARWDEQFNVSR-HXUWFJFHSA-N 2 2 324.468 4.066 20 0 DIADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC(C)(C)[NH+](C)C ZINC000673598931 1057041275 /nfs/dbraw/zinc/04/12/75/1057041275.db2.gz CJIQFNHUTUIIOL-UKTHLTGXSA-N 2 2 314.395 4.039 20 0 DIADLP Clc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390522673 1057047356 /nfs/dbraw/zinc/04/73/56/1057047356.db2.gz HKFHATUKVMYQQP-IBGZPJMESA-N 2 2 314.860 4.094 20 0 DIADLP Clc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390522673 1057047360 /nfs/dbraw/zinc/04/73/60/1057047360.db2.gz HKFHATUKVMYQQP-IBGZPJMESA-N 2 2 314.860 4.094 20 0 DIADLP CC[NH+](CC)Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001241581217 1057096624 /nfs/dbraw/zinc/09/66/24/1057096624.db2.gz SPUAQKVZSFAGMO-UHFFFAOYSA-N 2 2 305.425 4.381 20 0 DIADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977751 1057175786 /nfs/dbraw/zinc/17/57/86/1057175786.db2.gz BMKPDKSUYIKONR-RHSMWYFYSA-N 2 2 324.459 4.166 20 0 DIADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977751 1057175788 /nfs/dbraw/zinc/17/57/88/1057175788.db2.gz BMKPDKSUYIKONR-RHSMWYFYSA-N 2 2 324.459 4.166 20 0 DIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCCC1 ZINC000674049199 1057191221 /nfs/dbraw/zinc/19/12/21/1057191221.db2.gz KMAYEWQGWKBWQK-QFBILLFUSA-N 2 2 311.473 4.262 20 0 DIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1 ZINC000675918198 1057430904 /nfs/dbraw/zinc/43/09/04/1057430904.db2.gz FAHNBIYJFFKEQJ-LPHOPBHVSA-N 2 2 305.425 4.055 20 0 DIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000675921639 1057430968 /nfs/dbraw/zinc/43/09/68/1057430968.db2.gz ZDUHOZCTYKNEEC-DNVCBOLYSA-N 2 2 323.415 4.194 20 0 DIADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675918767 1057431008 /nfs/dbraw/zinc/43/10/08/1057431008.db2.gz GAROXIHFJAOHRI-YLJYHZDGSA-N 2 2 319.452 4.363 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(F)c1 ZINC000675918294 1057431060 /nfs/dbraw/zinc/43/10/60/1057431060.db2.gz GCRYKJPCGQAOLN-BEFAXECRSA-N 2 2 323.415 4.194 20 0 DIADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000675917701 1057431073 /nfs/dbraw/zinc/43/10/73/1057431073.db2.gz BFGGWOOXTUBJKI-RHSMWYFYSA-N 2 2 311.454 4.116 20 0 DIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000675917705 1057431317 /nfs/dbraw/zinc/43/13/17/1057431317.db2.gz BFGGWOOXTUBJKI-YOEHRIQHSA-N 2 2 311.454 4.116 20 0 DIADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000676253227 1057460155 /nfs/dbraw/zinc/46/01/55/1057460155.db2.gz ZQQDOYPWQGSMBO-SJORKVTESA-N 2 2 306.519 4.020 20 0 DIADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000676253227 1057460158 /nfs/dbraw/zinc/46/01/58/1057460158.db2.gz ZQQDOYPWQGSMBO-SJORKVTESA-N 2 2 306.519 4.020 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242985260 1057535937 /nfs/dbraw/zinc/53/59/37/1057535937.db2.gz QAOKPFGDNHACJA-FQEVSTJZSA-N 2 2 316.448 4.348 20 0 DIADLP Cc1ccc2ccccc2c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242985260 1057535940 /nfs/dbraw/zinc/53/59/40/1057535940.db2.gz QAOKPFGDNHACJA-FQEVSTJZSA-N 2 2 316.448 4.348 20 0 DIADLP CC[NH+](CC)Cc1ccccc1-c1ccccc1Cn1cc[nH+]c1 ZINC001243336745 1057650596 /nfs/dbraw/zinc/65/05/96/1057650596.db2.gz ANXFHGZUSVWLIY-UHFFFAOYSA-N 2 2 319.452 4.440 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000525987456 1057657202 /nfs/dbraw/zinc/65/72/02/1057657202.db2.gz FDERGKPNUKPHDC-WLYUNCDWSA-N 2 2 317.399 4.010 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000727645433 1057662081 /nfs/dbraw/zinc/66/20/81/1057662081.db2.gz JYVRQSLYMXELEN-LJQANCHMSA-N 2 2 323.440 4.348 20 0 DIADLP c1c[nH+]c(-c2ccc(-c3ccccc3C3CC[NH2+]CC3)cc2)[nH]1 ZINC001243978702 1057827550 /nfs/dbraw/zinc/82/75/50/1057827550.db2.gz DXTWGIJEDUVYFT-UHFFFAOYSA-N 2 2 303.409 4.211 20 0 DIADLP C[N@@H+]1CC[C@@H](c2ccc(-c3ccc(-c4[nH]cc[nH+]4)cc3)cc2)C1 ZINC001243979891 1057827962 /nfs/dbraw/zinc/82/79/62/1057827962.db2.gz KOHMOIMAHLRCFD-LJQANCHMSA-N 2 2 303.409 4.163 20 0 DIADLP C[N@H+]1CC[C@@H](c2ccc(-c3ccc(-c4[nH]cc[nH+]4)cc3)cc2)C1 ZINC001243979891 1057827963 /nfs/dbraw/zinc/82/79/63/1057827963.db2.gz KOHMOIMAHLRCFD-LJQANCHMSA-N 2 2 303.409 4.163 20 0 DIADLP Clc1cc(C2CC2)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244273788 1057920628 /nfs/dbraw/zinc/92/06/28/1057920628.db2.gz SNXGTXUJYYVDMU-UHFFFAOYSA-N 2 2 323.827 4.219 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4sccc4c3)cc2)C1 ZINC001244297282 1057926126 /nfs/dbraw/zinc/92/61/26/1057926126.db2.gz FTQOPCOWDBCXJO-GOSISDBHSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4sccc4c3)cc2)C1 ZINC001244297282 1057926129 /nfs/dbraw/zinc/92/61/29/1057926129.db2.gz FTQOPCOWDBCXJO-GOSISDBHSA-N 2 2 308.450 4.101 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001245198508 1058126968 /nfs/dbraw/zinc/12/69/68/1058126968.db2.gz ITNPLIVRBKKGGT-HXUWFJFHSA-N 2 2 317.436 4.065 20 0 DIADLP c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc(N2CCCCC2)[nH+]1 ZINC001245350516 1058150180 /nfs/dbraw/zinc/15/01/80/1058150180.db2.gz STNGFPMZSKPGQR-LJQANCHMSA-N 2 2 307.441 4.163 20 0 DIADLP Cn1c[nH+]cc1-c1cccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001245357866 1058151496 /nfs/dbraw/zinc/15/14/96/1058151496.db2.gz VGQLDZTVSDBXSB-IBGZPJMESA-N 2 2 303.409 4.179 20 0 DIADLP Fc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1-n1cc[nH+]c1 ZINC001245357680 1058151526 /nfs/dbraw/zinc/15/15/26/1058151526.db2.gz RGCFOYBRVWBPTI-SFHVURJKSA-N 2 2 307.372 4.103 20 0 DIADLP Cc1c(C)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1Cl ZINC001245689805 1058352991 /nfs/dbraw/zinc/35/29/91/1058352991.db2.gz LIOIRTBKYPZVPJ-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1Cl ZINC001245689805 1058353003 /nfs/dbraw/zinc/35/30/03/1058353003.db2.gz LIOIRTBKYPZVPJ-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2c(Cl)cccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246074776 1058666640 /nfs/dbraw/zinc/66/66/40/1058666640.db2.gz QKWRDGRLCVYUNF-RYUDHWBXSA-N 2 2 315.288 4.392 20 0 DIADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001246145422 1058695911 /nfs/dbraw/zinc/69/59/11/1058695911.db2.gz WSMFEWBLMZRJCF-YSFYHYPLSA-N 2 2 320.480 4.406 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1F ZINC001246157442 1058701955 /nfs/dbraw/zinc/70/19/55/1058701955.db2.gz BCUJZFLSOAXHOM-IUODEOHRSA-N 2 2 312.860 4.044 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1F ZINC001246157441 1058702562 /nfs/dbraw/zinc/70/25/62/1058702562.db2.gz BCUJZFLSOAXHOM-DOMZBBRYSA-N 2 2 312.860 4.044 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246175805 1058719904 /nfs/dbraw/zinc/71/99/04/1058719904.db2.gz MZBQOKWLROJKMA-BTTYYORXSA-N 2 2 315.288 4.392 20 0 DIADLP Fc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246180926 1058725925 /nfs/dbraw/zinc/72/59/25/1058725925.db2.gz SZEDRICOTGVTMX-FUHWJXTLSA-N 2 2 318.823 4.062 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2(F)CCCCC2)CC[NH2+]1 ZINC001246187840 1058731500 /nfs/dbraw/zinc/73/15/00/1058731500.db2.gz XGAZWAFZGCVJKQ-WMZOPIPTSA-N 2 2 322.443 4.189 20 0 DIADLP CCCCC[C@H](CCC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197182 1058736716 /nfs/dbraw/zinc/73/67/16/1058736716.db2.gz YYCKUGSUYLTNEG-GJZGRUSLSA-N 2 2 308.432 4.256 20 0 DIADLP CC(C)(C)[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210068 1058745399 /nfs/dbraw/zinc/74/53/99/1058745399.db2.gz IASDNOZPOUDQCP-CZUORRHYSA-N 2 2 306.881 4.085 20 0 DIADLP CC1(C)C[C@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC001246254482 1058773040 /nfs/dbraw/zinc/77/30/40/1058773040.db2.gz QVWXQKFCNAHFHU-GFCCVEGCSA-N 2 2 313.272 4.103 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC001246254356 1058773167 /nfs/dbraw/zinc/77/31/67/1058773167.db2.gz QAKNOPCQFNVLJZ-FVCCEPFGSA-N 2 2 313.272 4.317 20 0 DIADLP CC[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC001246255463 1058775344 /nfs/dbraw/zinc/77/53/44/1058775344.db2.gz WSIRHLVPVOWTOE-STQMWFEESA-N 2 2 313.272 4.103 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246271959 1058787712 /nfs/dbraw/zinc/78/77/12/1058787712.db2.gz YBIMRTAMVHTJLU-OLZOCXBDSA-N 2 2 316.823 4.019 20 0 DIADLP CC[C@H]1CC([NH2+][C@@H](C)c2c(F)cccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246296814 1058809050 /nfs/dbraw/zinc/80/90/50/1058809050.db2.gz KCGMLCDUYXAARD-AVGNSLFASA-N 2 2 312.860 4.439 20 0 DIADLP CCCC[C@H]1CC[C@H](C2CCC([NH2+][C@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299328 1058813450 /nfs/dbraw/zinc/81/34/50/1058813450.db2.gz HIGXCLGZMBQFQS-QNGUGAFLSA-N 3 2 323.569 4.155 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246461147 1058944346 /nfs/dbraw/zinc/94/43/46/1058944346.db2.gz WLYIORTVXBTMRD-HWMZRRJGSA-N 2 2 321.896 4.085 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC[NH2+]1 ZINC001246459236 1058946144 /nfs/dbraw/zinc/94/61/44/1058946144.db2.gz RNYBPJFQLUPLKC-HLLBOEOZSA-N 2 2 321.896 4.087 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2Cl)CC[NH2+]1 ZINC001246485895 1058963455 /nfs/dbraw/zinc/96/34/55/1058963455.db2.gz BKJBEYWCZZRWHG-RDBSUJKOSA-N 2 2 312.860 4.441 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2Cl)CC[NH2+]1 ZINC001246485888 1058964285 /nfs/dbraw/zinc/96/42/85/1058964285.db2.gz BKJBEYWCZZRWHG-HZSPNIEDSA-N 2 2 312.860 4.441 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001246509474 1058977750 /nfs/dbraw/zinc/97/77/50/1058977750.db2.gz IBNTVWUVMJHDBJ-QFUCXCTJSA-N 2 2 324.468 4.011 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCC3(CCCCC3)CC2)c1 ZINC001246514082 1058978113 /nfs/dbraw/zinc/97/81/13/1058978113.db2.gz ZYTXXOAMEWEDMD-IBGZPJMESA-N 2 2 316.489 4.178 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCCC3(CCCCC3)C2)c1 ZINC001246512440 1058979090 /nfs/dbraw/zinc/97/90/90/1058979090.db2.gz TZSJFULMISZWOD-HKUYNNGSSA-N 2 2 316.489 4.178 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246536465 1058989708 /nfs/dbraw/zinc/98/97/08/1058989708.db2.gz FUKRAZPPYTYYQP-AWEZNQCLSA-N 2 2 313.272 4.100 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246536465 1058989727 /nfs/dbraw/zinc/98/97/27/1058989727.db2.gz FUKRAZPPYTYYQP-AWEZNQCLSA-N 2 2 313.272 4.100 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246539547 1058992408 /nfs/dbraw/zinc/99/24/08/1058992408.db2.gz QXIIFEIVWPQQLE-FICVDOATSA-N 2 2 313.272 4.098 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246539547 1058992421 /nfs/dbraw/zinc/99/24/21/1058992421.db2.gz QXIIFEIVWPQQLE-FICVDOATSA-N 2 2 313.272 4.098 20 0 DIADLP CC(C)[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538945 1058995527 /nfs/dbraw/zinc/99/55/27/1058995527.db2.gz PMRDIERKIZEOAQ-ZBFHGGJFSA-N 2 2 315.288 4.202 20 0 DIADLP CC(C)[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538945 1058995547 /nfs/dbraw/zinc/99/55/47/1058995547.db2.gz PMRDIERKIZEOAQ-ZBFHGGJFSA-N 2 2 315.288 4.202 20 0 DIADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614389 1059030303 /nfs/dbraw/zinc/03/03/03/1059030303.db2.gz NZDWKTZAKZNNAF-MJGOQNOKSA-N 2 2 318.530 4.084 20 0 DIADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614389 1059030328 /nfs/dbraw/zinc/03/03/28/1059030328.db2.gz NZDWKTZAKZNNAF-MJGOQNOKSA-N 2 2 318.530 4.084 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246621470 1059031885 /nfs/dbraw/zinc/03/18/85/1059031885.db2.gz LQPBAYUVLKIKLS-PBHICJAKSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246621470 1059031907 /nfs/dbraw/zinc/03/19/07/1059031907.db2.gz LQPBAYUVLKIKLS-PBHICJAKSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246621500 1059032256 /nfs/dbraw/zinc/03/22/56/1059032256.db2.gz LQPBAYUVLKIKLS-YOEHRIQHSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246621500 1059032273 /nfs/dbraw/zinc/03/22/73/1059032273.db2.gz LQPBAYUVLKIKLS-YOEHRIQHSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246621896 1059033792 /nfs/dbraw/zinc/03/37/92/1059033792.db2.gz QDJKWZJEDJNITB-RHSMWYFYSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246621896 1059033809 /nfs/dbraw/zinc/03/38/09/1059033809.db2.gz QDJKWZJEDJNITB-RHSMWYFYSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246638990 1059045404 /nfs/dbraw/zinc/04/54/04/1059045404.db2.gz NSJYYNILRSVTMX-MTNREXPMSA-N 2 2 320.480 4.033 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246638990 1059045423 /nfs/dbraw/zinc/04/54/23/1059045423.db2.gz NSJYYNILRSVTMX-MTNREXPMSA-N 2 2 320.480 4.033 20 0 DIADLP c1ccc(C2CCC([N@H+]3CCCCC34CC[NH2+]CC4)CC2)cc1 ZINC001246645498 1059047520 /nfs/dbraw/zinc/04/75/20/1059047520.db2.gz BOHIMTLEKSLKMF-UHFFFAOYSA-N 2 2 312.501 4.321 20 0 DIADLP c1ccc(C2CCC([N@@H+]3CCCCC34CC[NH2+]CC4)CC2)cc1 ZINC001246645498 1059047544 /nfs/dbraw/zinc/04/75/44/1059047544.db2.gz BOHIMTLEKSLKMF-UHFFFAOYSA-N 2 2 312.501 4.321 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246770322 1059073475 /nfs/dbraw/zinc/07/34/75/1059073475.db2.gz QKVTWTNPQOLJEZ-MRXNPFEDSA-N 2 2 306.881 4.227 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246770322 1059073492 /nfs/dbraw/zinc/07/34/92/1059073492.db2.gz QKVTWTNPQOLJEZ-MRXNPFEDSA-N 2 2 306.881 4.227 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246770321 1059076392 /nfs/dbraw/zinc/07/63/92/1059076392.db2.gz QKVTWTNPQOLJEZ-INIZCTEOSA-N 2 2 306.881 4.227 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246770321 1059076413 /nfs/dbraw/zinc/07/64/13/1059076413.db2.gz QKVTWTNPQOLJEZ-INIZCTEOSA-N 2 2 306.881 4.227 20 0 DIADLP C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C[NH2+]1 ZINC001246789594 1059093488 /nfs/dbraw/zinc/09/34/88/1059093488.db2.gz CMWULEIXJDGEKK-HRAATJIYSA-N 2 2 308.469 4.160 20 0 DIADLP CC[N@H+](CCCNc1cc(C)[nH+]c(C2CC2)n1)C1CCCCC1 ZINC001559229548 1059107581 /nfs/dbraw/zinc/10/75/81/1059107581.db2.gz JQEISWODBXJKNP-UHFFFAOYSA-N 2 2 316.493 4.119 20 0 DIADLP CC[N@@H+](CCCNc1cc(C)[nH+]c(C2CC2)n1)C1CCCCC1 ZINC001559229548 1059107602 /nfs/dbraw/zinc/10/76/02/1059107602.db2.gz JQEISWODBXJKNP-UHFFFAOYSA-N 2 2 316.493 4.119 20 0 DIADLP CC(C)c1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001559234945 1059110580 /nfs/dbraw/zinc/11/05/80/1059110580.db2.gz HNCQOJWWNCEDSK-HNNXBMFYSA-N 2 2 318.509 4.256 20 0 DIADLP CC(C)c1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC001559234945 1059110589 /nfs/dbraw/zinc/11/05/89/1059110589.db2.gz HNCQOJWWNCEDSK-HNNXBMFYSA-N 2 2 318.509 4.256 20 0 DIADLP CC(C)c1cc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)nc(C(C)C)[nH+]1 ZINC001559236368 1059111591 /nfs/dbraw/zinc/11/15/91/1059111591.db2.gz GGLJEIXZJGMZIW-HOTGVXAUSA-N 2 2 316.493 4.008 20 0 DIADLP Clc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246868001 1059142925 /nfs/dbraw/zinc/14/29/25/1059142925.db2.gz KSCHVDPQZDEAPE-RTBURBONSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246868001 1059142926 /nfs/dbraw/zinc/14/29/26/1059142926.db2.gz KSCHVDPQZDEAPE-RTBURBONSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246867997 1059143008 /nfs/dbraw/zinc/14/30/08/1059143008.db2.gz KSCHVDPQZDEAPE-OALUTQOASA-N 2 2 312.844 4.149 20 0 DIADLP Clc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC001246867997 1059143016 /nfs/dbraw/zinc/14/30/16/1059143016.db2.gz KSCHVDPQZDEAPE-OALUTQOASA-N 2 2 312.844 4.149 20 0 DIADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2[C@H]1CCCC[NH2+]C1 ZINC001246881049 1059149235 /nfs/dbraw/zinc/14/92/35/1059149235.db2.gz XHTXNXNOIJGZNZ-WTOYTKOKSA-N 2 2 318.464 4.005 20 0 DIADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2[C@H]1CCCC[NH2+]C1 ZINC001246881049 1059149249 /nfs/dbraw/zinc/14/92/49/1059149249.db2.gz XHTXNXNOIJGZNZ-WTOYTKOKSA-N 2 2 318.464 4.005 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902164 1059164074 /nfs/dbraw/zinc/16/40/74/1059164074.db2.gz QFPYAXQTCMZDRP-RVKKMQEKSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246902164 1059164083 /nfs/dbraw/zinc/16/40/83/1059164083.db2.gz QFPYAXQTCMZDRP-RVKKMQEKSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905775 1059168344 /nfs/dbraw/zinc/16/83/44/1059168344.db2.gz BNBZQEIRKRVETJ-HZPDHXFCSA-N 2 2 310.432 4.098 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905775 1059168360 /nfs/dbraw/zinc/16/83/60/1059168360.db2.gz BNBZQEIRKRVETJ-HZPDHXFCSA-N 2 2 310.432 4.098 20 0 DIADLP CCC[C@@H](CC)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965713 1059210144 /nfs/dbraw/zinc/21/01/44/1059210144.db2.gz QTKDGLKNYSJJEY-CQSZACIVSA-N 2 2 310.432 4.098 20 0 DIADLP CCC[C@@H](CC)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965713 1059210166 /nfs/dbraw/zinc/21/01/66/1059210166.db2.gz QTKDGLKNYSJJEY-CQSZACIVSA-N 2 2 310.432 4.098 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001559656458 1059484613 /nfs/dbraw/zinc/48/46/13/1059484613.db2.gz PCHFCKQHGGOOJQ-KRWDZBQOSA-N 2 2 324.459 4.312 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001559656458 1059484631 /nfs/dbraw/zinc/48/46/31/1059484631.db2.gz PCHFCKQHGGOOJQ-KRWDZBQOSA-N 2 2 324.459 4.312 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044093 1059859645 /nfs/dbraw/zinc/85/96/45/1059859645.db2.gz UIOMFSDWRORESG-OKZBNKHCSA-N 2 2 306.881 4.065 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044093 1059859676 /nfs/dbraw/zinc/85/96/76/1059859676.db2.gz UIOMFSDWRORESG-OKZBNKHCSA-N 2 2 306.881 4.065 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560044093 1059859705 /nfs/dbraw/zinc/85/97/05/1059859705.db2.gz UIOMFSDWRORESG-OKZBNKHCSA-N 2 2 306.881 4.065 20 0 DIADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560044093 1059859739 /nfs/dbraw/zinc/85/97/39/1059859739.db2.gz UIOMFSDWRORESG-OKZBNKHCSA-N 2 2 306.881 4.065 20 0 DIADLP CC[C@@]1(CCc2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC001560107670 1059915145 /nfs/dbraw/zinc/91/51/45/1059915145.db2.gz YRGLSLVXLLGMAX-FQEVSTJZSA-N 2 2 311.473 4.151 20 0 DIADLP CC[C@@]1(CCc2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC001560107670 1059915124 /nfs/dbraw/zinc/91/51/24/1059915124.db2.gz YRGLSLVXLLGMAX-FQEVSTJZSA-N 2 2 311.473 4.151 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)Cc1ccccc1 ZINC001560261932 1060031715 /nfs/dbraw/zinc/03/17/15/1060031715.db2.gz XYANPGGSWFKPNV-HOJAQTOUSA-N 2 2 316.533 4.354 20 0 DIADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Cl ZINC001560283962 1060062327 /nfs/dbraw/zinc/06/23/27/1060062327.db2.gz UJVFRDFEINLSNZ-INIZCTEOSA-N 2 2 305.853 4.049 20 0 DIADLP CC1CCC(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560292171 1060074535 /nfs/dbraw/zinc/07/45/35/1060074535.db2.gz BIFQBZIEQVIGRX-AFMYVXGZSA-N 2 2 314.517 4.455 20 0 DIADLP CC1CCC(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001560292171 1060074557 /nfs/dbraw/zinc/07/45/57/1060074557.db2.gz BIFQBZIEQVIGRX-AFMYVXGZSA-N 2 2 314.517 4.455 20 0 DIADLP Cc1cc(Cl)ccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001560311462 1060098911 /nfs/dbraw/zinc/09/89/11/1060098911.db2.gz TWETYIWHDIPFTR-UHFFFAOYSA-N 2 2 303.837 4.025 20 0 DIADLP CC1(C)CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC001560332548 1060117648 /nfs/dbraw/zinc/11/76/48/1060117648.db2.gz OJJFQMYEIXOSLL-QGZVFWFLSA-N 2 2 324.578 4.297 20 0 DIADLP CC(C)CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346813 1060132747 /nfs/dbraw/zinc/13/27/47/1060132747.db2.gz NCAKXAPPDRNBAY-IBGZPJMESA-N 2 2 302.506 4.455 20 0 DIADLP CC(C)CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560346813 1060132772 /nfs/dbraw/zinc/13/27/72/1060132772.db2.gz NCAKXAPPDRNBAY-IBGZPJMESA-N 2 2 302.506 4.455 20 0 DIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCC1 ZINC001560428065 1060214676 /nfs/dbraw/zinc/21/46/76/1060214676.db2.gz ZONCCYIKBJLIIU-UHFFFAOYSA-N 2 2 312.910 4.026 20 0 DIADLP C(=C\c1ccccc1)\C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001560452215 1060241279 /nfs/dbraw/zinc/24/12/79/1060241279.db2.gz RAPUAPFNIUJJBZ-YFHOEESVSA-N 2 2 312.501 4.336 20 0 DIADLP Cc1ccccc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001560483881 1060275824 /nfs/dbraw/zinc/27/58/24/1060275824.db2.gz PKLDYDILPMSNAP-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP c1cc(C2CCC2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001560535540 1060339736 /nfs/dbraw/zinc/33/97/36/1060339736.db2.gz YLOWXEIKZXMBRH-OAQYLSRUSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C2CCC2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001560535540 1060339756 /nfs/dbraw/zinc/33/97/56/1060339756.db2.gz YLOWXEIKZXMBRH-OAQYLSRUSA-N 2 2 312.501 4.451 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(CC4CCC4)c3)C2)[nH]1 ZINC001560628952 1060439642 /nfs/dbraw/zinc/43/96/42/1060439642.db2.gz YZGMRPXXHOVVRW-LJQANCHMSA-N 2 2 309.457 4.132 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(CC4CCC4)c3)C2)[nH]1 ZINC001560628952 1060439653 /nfs/dbraw/zinc/43/96/53/1060439653.db2.gz YZGMRPXXHOVVRW-LJQANCHMSA-N 2 2 309.457 4.132 20 0 DIADLP CCc1cccc(Cl)c1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001560636943 1060451342 /nfs/dbraw/zinc/45/13/42/1060451342.db2.gz QVCZZRZCLGTAIG-GOEBONIOSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001560636943 1060451348 /nfs/dbraw/zinc/45/13/48/1060451348.db2.gz QVCZZRZCLGTAIG-GOEBONIOSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC001560636943 1060451365 /nfs/dbraw/zinc/45/13/65/1060451365.db2.gz QVCZZRZCLGTAIG-GOEBONIOSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC001560636943 1060451374 /nfs/dbraw/zinc/45/13/74/1060451374.db2.gz QVCZZRZCLGTAIG-GOEBONIOSA-N 2 2 308.897 4.207 20 0 DIADLP CC(C)COc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001560668815 1060497752 /nfs/dbraw/zinc/49/77/52/1060497752.db2.gz VZGFYTOGYAQCHP-LJQANCHMSA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)COc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001560668815 1060497768 /nfs/dbraw/zinc/49/77/68/1060497768.db2.gz VZGFYTOGYAQCHP-LJQANCHMSA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)COc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001560668815 1060497782 /nfs/dbraw/zinc/49/77/82/1060497782.db2.gz VZGFYTOGYAQCHP-LJQANCHMSA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)COc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001560668815 1060497792 /nfs/dbraw/zinc/49/77/92/1060497792.db2.gz VZGFYTOGYAQCHP-LJQANCHMSA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001560843947 1060699439 /nfs/dbraw/zinc/69/94/39/1060699439.db2.gz OQBXWYFOCHSNNH-OALUTQOASA-N 2 2 300.490 4.065 20 0 DIADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001560843947 1060699444 /nfs/dbraw/zinc/69/94/44/1060699444.db2.gz OQBXWYFOCHSNNH-OALUTQOASA-N 2 2 300.490 4.065 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC001560927266 1060790304 /nfs/dbraw/zinc/79/03/04/1060790304.db2.gz MLZDCBSWPANSBE-FQEVSTJZSA-N 2 2 322.496 4.281 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC001560927266 1060790312 /nfs/dbraw/zinc/79/03/12/1060790312.db2.gz MLZDCBSWPANSBE-FQEVSTJZSA-N 2 2 322.496 4.281 20 0 DIADLP Fc1cccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)c1 ZINC001560934149 1060796054 /nfs/dbraw/zinc/79/60/54/1060796054.db2.gz JUHPDEHXAXAGSB-NLPFYKDJSA-N 2 2 316.464 4.068 20 0 DIADLP Fc1cccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)c1 ZINC001560934149 1060796066 /nfs/dbraw/zinc/79/60/66/1060796066.db2.gz JUHPDEHXAXAGSB-NLPFYKDJSA-N 2 2 316.464 4.068 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)c1 ZINC001560943637 1060807119 /nfs/dbraw/zinc/80/71/19/1060807119.db2.gz WNSAGYSOSRMIOH-SIKLNZKXSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)c1 ZINC001560943637 1060807130 /nfs/dbraw/zinc/80/71/30/1060807130.db2.gz WNSAGYSOSRMIOH-SIKLNZKXSA-N 2 2 322.496 4.304 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001560960936 1060823929 /nfs/dbraw/zinc/82/39/29/1060823929.db2.gz FPUFGNJXGHFUTC-XLIONFOSSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001560960936 1060823941 /nfs/dbraw/zinc/82/39/41/1060823941.db2.gz FPUFGNJXGHFUTC-XLIONFOSSA-N 2 2 314.517 4.349 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC001560966271 1060829930 /nfs/dbraw/zinc/82/99/30/1060829930.db2.gz SMUVJCPCFZVNTN-SZMVWBNQSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC001560966271 1060829945 /nfs/dbraw/zinc/82/99/45/1060829945.db2.gz SMUVJCPCFZVNTN-SZMVWBNQSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001560970045 1060834154 /nfs/dbraw/zinc/83/41/54/1060834154.db2.gz ILVHWOJDLLIQBP-PXNSSMCTSA-N 2 2 300.490 4.067 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001560970045 1060834162 /nfs/dbraw/zinc/83/41/62/1060834162.db2.gz ILVHWOJDLLIQBP-PXNSSMCTSA-N 2 2 300.490 4.067 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC001560997800 1060858520 /nfs/dbraw/zinc/85/85/20/1060858520.db2.gz DTFCJDBTXFNIIO-SOFGYWHQSA-N 2 2 316.464 4.179 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1C ZINC001561038916 1060891881 /nfs/dbraw/zinc/89/18/81/1060891881.db2.gz DRGQFVLKYSCYHU-AATRIKPKSA-N 2 2 312.501 4.232 20 0 DIADLP Clc1cccc(CCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC001473207299 1060973124 /nfs/dbraw/zinc/97/31/24/1060973124.db2.gz ZRWNFJPLGASHHV-UHFFFAOYSA-N 2 2 317.864 4.265 20 0 DIADLP Cc1ccc2c(ccc(C)c2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001473206848 1060976280 /nfs/dbraw/zinc/97/62/80/1060976280.db2.gz VEACCYHPVQYSPL-UHFFFAOYSA-N 2 2 319.452 4.490 20 0 DIADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001462158169 1060978290 /nfs/dbraw/zinc/97/82/90/1060978290.db2.gz PPNJKFTWVVWXIA-WOJBJXKFSA-N 2 2 314.517 4.343 20 0 DIADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001462158169 1060978311 /nfs/dbraw/zinc/97/83/11/1060978311.db2.gz PPNJKFTWVVWXIA-WOJBJXKFSA-N 2 2 314.517 4.343 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001462204859 1061024774 /nfs/dbraw/zinc/02/47/74/1061024774.db2.gz WFWZQMCNIIAXCO-MOPGFXCFSA-N 2 2 302.506 4.108 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001462204859 1061024794 /nfs/dbraw/zinc/02/47/94/1061024794.db2.gz WFWZQMCNIIAXCO-MOPGFXCFSA-N 2 2 302.506 4.108 20 0 DIADLP CC[NH+](CC)CCC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC001473262340 1061036878 /nfs/dbraw/zinc/03/68/78/1061036878.db2.gz WMYLOYWQOFODHO-UHFFFAOYSA-N 2 2 324.459 4.441 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC001473262340 1061036891 /nfs/dbraw/zinc/03/68/91/1061036891.db2.gz WMYLOYWQOFODHO-UHFFFAOYSA-N 2 2 324.459 4.441 20 0 DIADLP CCc1ccc([C@@H](C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[NH+](CC)CC)cc1 ZINC001462297830 1061088816 /nfs/dbraw/zinc/08/88/16/1061088816.db2.gz SVVRFHZATFIXOD-UWHLTILDSA-N 2 2 314.517 4.410 20 0 DIADLP c1ccc(NC2CC[NH+](CCCC3CCCCC3)CC2)[nH+]c1 ZINC001473350830 1061106228 /nfs/dbraw/zinc/10/62/28/1061106228.db2.gz CRRHJLDFFYWNOY-UHFFFAOYSA-N 2 2 301.478 4.318 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001473357405 1061111634 /nfs/dbraw/zinc/11/16/34/1061111634.db2.gz RJIOWWWUCKULJT-UHFFFAOYSA-N 2 2 311.473 4.439 20 0 DIADLP c1cn(CCCC2CC[NH+](CC3CCC4(CC4)CC3)CC2)c[nH+]1 ZINC001473377402 1061123101 /nfs/dbraw/zinc/12/31/01/1061123101.db2.gz ULTDTVUBTGIRSJ-UHFFFAOYSA-N 2 2 315.505 4.346 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC001462388696 1061144527 /nfs/dbraw/zinc/14/45/27/1061144527.db2.gz WNXDCWPDNIMXFD-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC001462388696 1061144531 /nfs/dbraw/zinc/14/45/31/1061144531.db2.gz WNXDCWPDNIMXFD-RBUKOAKNSA-N 2 2 304.522 4.486 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429685 1061167583 /nfs/dbraw/zinc/16/75/83/1061167583.db2.gz PJTLMJXWONYBHY-SZMVWBNQSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429685 1061167591 /nfs/dbraw/zinc/16/75/91/1061167591.db2.gz PJTLMJXWONYBHY-SZMVWBNQSA-N 2 2 320.908 4.439 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001462430392 1061169571 /nfs/dbraw/zinc/16/95/71/1061169571.db2.gz SVTSPIUIBOLLIJ-ICSRJNTNSA-N 2 2 302.506 4.108 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1C ZINC001462528961 1061238770 /nfs/dbraw/zinc/23/87/70/1061238770.db2.gz GEDVXIZUNQQUBZ-FNORWQNLSA-N 2 2 312.501 4.185 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001473556882 1061246030 /nfs/dbraw/zinc/24/60/30/1061246030.db2.gz RPBDMUNXFQQDMM-QGZVFWFLSA-N 2 2 311.473 4.439 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001473556882 1061246050 /nfs/dbraw/zinc/24/60/50/1061246050.db2.gz RPBDMUNXFQQDMM-QGZVFWFLSA-N 2 2 311.473 4.439 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001473556880 1061246976 /nfs/dbraw/zinc/24/69/76/1061246976.db2.gz RPBDMUNXFQQDMM-KRWDZBQOSA-N 2 2 311.473 4.439 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001473556880 1061246991 /nfs/dbraw/zinc/24/69/91/1061246991.db2.gz RPBDMUNXFQQDMM-KRWDZBQOSA-N 2 2 311.473 4.439 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCC(C)CC1 ZINC001473605182 1061282578 /nfs/dbraw/zinc/28/25/78/1061282578.db2.gz DYMBXPGOUJPARX-NLPFYKDJSA-N 2 2 311.473 4.349 20 0 DIADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCCC(C)(C)C ZINC001462686820 1061337442 /nfs/dbraw/zinc/33/74/42/1061337442.db2.gz FOFFFNNZUIZYEQ-UHFFFAOYSA-N 2 2 316.493 4.226 20 0 DIADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001473746273 1061387371 /nfs/dbraw/zinc/38/73/71/1061387371.db2.gz FOFLMNLUUOTLGO-HBFSDRIKSA-N 2 2 311.473 4.430 20 0 DIADLP C[C@@H]1CCC[C@H](CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001473746272 1061388739 /nfs/dbraw/zinc/38/87/39/1061388739.db2.gz FOFLMNLUUOTLGO-GGPKGHCWSA-N 2 2 311.473 4.430 20 0 DIADLP CCCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001473748399 1061392531 /nfs/dbraw/zinc/39/25/31/1061392531.db2.gz YGJLMPCDKOBSTO-NRFANRHFSA-N 2 2 319.452 4.367 20 0 DIADLP C[C@]1(c2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473756313 1061397229 /nfs/dbraw/zinc/39/72/29/1061397229.db2.gz ZFSZPKRVACWLCC-OAQYLSRUSA-N 2 2 317.436 4.384 20 0 DIADLP C[C@]1(c2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473756313 1061397243 /nfs/dbraw/zinc/39/72/43/1061397243.db2.gz ZFSZPKRVACWLCC-OAQYLSRUSA-N 2 2 317.436 4.384 20 0 DIADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896252 1061453817 /nfs/dbraw/zinc/45/38/17/1061453817.db2.gz ALMAOXIGPBMWEL-DLBZAZTESA-N 2 2 305.510 4.500 20 0 DIADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896252 1061453829 /nfs/dbraw/zinc/45/38/29/1061453829.db2.gz ALMAOXIGPBMWEL-DLBZAZTESA-N 2 2 305.510 4.500 20 0 DIADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC001473913129 1061460635 /nfs/dbraw/zinc/46/06/35/1061460635.db2.gz JDKMPFZBDNBETN-VAMGGRTRSA-N 2 2 318.505 4.007 20 0 DIADLP C[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC1CCCCC1 ZINC001473950141 1061491818 /nfs/dbraw/zinc/49/18/18/1061491818.db2.gz FHMIDKGZQRTNTF-AEFFLSMTSA-N 2 2 305.510 4.494 20 0 DIADLP Fc1cccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1F ZINC001473969740 1061513161 /nfs/dbraw/zinc/51/31/61/1061513161.db2.gz TWJVZJZSSPWLMZ-UHFFFAOYSA-N 2 2 322.443 4.099 20 0 DIADLP C[C@H]1CC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C[C@H](C)C1 ZINC001474001252 1061542824 /nfs/dbraw/zinc/54/28/24/1061542824.db2.gz IQYCQZUJTFMSGS-IAGOWNOFSA-N 2 2 324.578 4.152 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001474108103 1061656888 /nfs/dbraw/zinc/65/68/88/1061656888.db2.gz GBGGWCPJAWMEAZ-HUUCEWRRSA-N 2 2 321.534 4.009 20 0 DIADLP CC(C)c1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001474108103 1061656896 /nfs/dbraw/zinc/65/68/96/1061656896.db2.gz GBGGWCPJAWMEAZ-HUUCEWRRSA-N 2 2 321.534 4.009 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317164 1061891431 /nfs/dbraw/zinc/89/14/31/1061891431.db2.gz JGNBGFIUXHJVLJ-YOEHRIQHSA-N 2 2 306.494 4.190 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317164 1061891455 /nfs/dbraw/zinc/89/14/55/1061891455.db2.gz JGNBGFIUXHJVLJ-YOEHRIQHSA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317164 1061891477 /nfs/dbraw/zinc/89/14/77/1061891477.db2.gz JGNBGFIUXHJVLJ-YOEHRIQHSA-N 2 2 306.494 4.190 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)oc2C)C[C@@H]1C ZINC001474317164 1061891495 /nfs/dbraw/zinc/89/14/95/1061891495.db2.gz JGNBGFIUXHJVLJ-YOEHRIQHSA-N 2 2 306.494 4.190 20 0 DIADLP c1cn(C2CC[NH+](Cc3cccc(CC4CCC4)c3)CC2)c[nH+]1 ZINC001474366716 1061996998 /nfs/dbraw/zinc/99/69/98/1061996998.db2.gz ZBJWBTIKLYAPGL-UHFFFAOYSA-N 2 2 309.457 4.063 20 0 DIADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC001254218979 1062054910 /nfs/dbraw/zinc/05/49/10/1062054910.db2.gz YPCPBRRUNNTICI-UHFFFAOYSA-N 2 2 322.443 4.161 20 0 DIADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC001254218979 1062054930 /nfs/dbraw/zinc/05/49/30/1062054930.db2.gz YPCPBRRUNNTICI-UHFFFAOYSA-N 2 2 322.443 4.161 20 0 DIADLP CCCc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001474413703 1062082722 /nfs/dbraw/zinc/08/27/22/1062082722.db2.gz VBQZHPUNAVTGGU-UHFFFAOYSA-N 2 2 300.490 4.089 20 0 DIADLP CCC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001254491350 1062134471 /nfs/dbraw/zinc/13/44/71/1062134471.db2.gz OETTZSOEABLMQT-IBGZPJMESA-N 2 2 307.441 4.225 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465166 1062145959 /nfs/dbraw/zinc/14/59/59/1062145959.db2.gz KDVZKGKQAGERFM-ACRUOGEOSA-N 2 2 314.517 4.311 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465166 1062145982 /nfs/dbraw/zinc/14/59/82/1062145982.db2.gz KDVZKGKQAGERFM-ACRUOGEOSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474466382 1062147119 /nfs/dbraw/zinc/14/71/19/1062147119.db2.gz FHLQJPFDFSXOQM-UWVAXJGDSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474466382 1062147130 /nfs/dbraw/zinc/14/71/30/1062147130.db2.gz FHLQJPFDFSXOQM-UWVAXJGDSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474466381 1062147148 /nfs/dbraw/zinc/14/71/48/1062147148.db2.gz FHLQJPFDFSXOQM-MBOZVWFJSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474466381 1062147153 /nfs/dbraw/zinc/14/71/53/1062147153.db2.gz FHLQJPFDFSXOQM-MBOZVWFJSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474466379 1062147241 /nfs/dbraw/zinc/14/72/41/1062147241.db2.gz FHLQJPFDFSXOQM-FUHIMQAGSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474466379 1062147252 /nfs/dbraw/zinc/14/72/52/1062147252.db2.gz FHLQJPFDFSXOQM-FUHIMQAGSA-N 2 2 300.490 4.065 20 0 DIADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001254510271 1062148495 /nfs/dbraw/zinc/14/84/95/1062148495.db2.gz UPFVUOAABVOJLU-GFCCVEGCSA-N 2 2 321.679 4.221 20 0 DIADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001254510271 1062148511 /nfs/dbraw/zinc/14/85/11/1062148511.db2.gz UPFVUOAABVOJLU-GFCCVEGCSA-N 2 2 321.679 4.221 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001474496800 1062175742 /nfs/dbraw/zinc/17/57/42/1062175742.db2.gz PUYBTMNLEUQBNJ-HKUYNNGSSA-N 2 2 320.908 4.268 20 0 DIADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001474496800 1062175750 /nfs/dbraw/zinc/17/57/50/1062175750.db2.gz PUYBTMNLEUQBNJ-HKUYNNGSSA-N 2 2 320.908 4.268 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC001474497769 1062180698 /nfs/dbraw/zinc/18/06/98/1062180698.db2.gz NASFJFZIDRZVMY-FHWLQOOXSA-N 2 2 300.490 4.033 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC001474497769 1062180705 /nfs/dbraw/zinc/18/07/05/1062180705.db2.gz NASFJFZIDRZVMY-FHWLQOOXSA-N 2 2 300.490 4.033 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C2CCC2)[NH+](CC)CC)cc1 ZINC001474552328 1062251893 /nfs/dbraw/zinc/25/18/93/1062251893.db2.gz GMDIFZFGRPJIDM-JXFKEZNVSA-N 2 2 302.506 4.410 20 0 DIADLP c1ccc(C[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)c2ccccc2)cc1 ZINC001254832643 1062259414 /nfs/dbraw/zinc/25/94/14/1062259414.db2.gz PXWMRGKWYBUQFI-FCHUYYIVSA-N 2 2 320.480 4.044 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001474604854 1062319771 /nfs/dbraw/zinc/31/97/71/1062319771.db2.gz OEFVBYZPUZETHU-MSOLQXFVSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001474604854 1062319796 /nfs/dbraw/zinc/31/97/96/1062319796.db2.gz OEFVBYZPUZETHU-MSOLQXFVSA-N 2 2 306.881 4.063 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001474623663 1062346929 /nfs/dbraw/zinc/34/69/29/1062346929.db2.gz XSYQJCPXNXFLSD-STQMWFEESA-N 2 2 314.926 4.185 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001474623663 1062346949 /nfs/dbraw/zinc/34/69/49/1062346949.db2.gz XSYQJCPXNXFLSD-STQMWFEESA-N 2 2 314.926 4.185 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC1CCCC1 ZINC001459769845 1062384853 /nfs/dbraw/zinc/38/48/53/1062384853.db2.gz NKMCCKQPSSAHFB-UHFFFAOYSA-N 2 2 302.506 4.457 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC1CCCC1 ZINC001459769845 1062384866 /nfs/dbraw/zinc/38/48/66/1062384866.db2.gz NKMCCKQPSSAHFB-UHFFFAOYSA-N 2 2 302.506 4.457 20 0 DIADLP CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001255317254 1062394711 /nfs/dbraw/zinc/39/47/11/1062394711.db2.gz LKVQACGIQFDPOD-MRXNPFEDSA-N 2 2 306.469 4.267 20 0 DIADLP CCCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001255331717 1062406501 /nfs/dbraw/zinc/40/65/01/1062406501.db2.gz CTDZIQRWTRYRKU-INIZCTEOSA-N 2 2 306.469 4.301 20 0 DIADLP CCCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001255331717 1062406513 /nfs/dbraw/zinc/40/65/13/1062406513.db2.gz CTDZIQRWTRYRKU-INIZCTEOSA-N 2 2 306.469 4.301 20 0 DIADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3C4CCCC3CCC4)CC2)cc1 ZINC001255409488 1062438085 /nfs/dbraw/zinc/43/80/85/1062438085.db2.gz YZTBCGSDDKYJKW-CBNMVNINSA-N 2 2 312.501 4.448 20 0 DIADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3C4CCCC3CCC4)CC2)cc1 ZINC001255409488 1062438096 /nfs/dbraw/zinc/43/80/96/1062438096.db2.gz YZTBCGSDDKYJKW-CBNMVNINSA-N 2 2 312.501 4.448 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001459959214 1062525981 /nfs/dbraw/zinc/52/59/81/1062525981.db2.gz AUSDSLLNUUCHBN-HBMCJLEFSA-N 2 2 314.517 4.250 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001459959214 1062526000 /nfs/dbraw/zinc/52/60/00/1062526000.db2.gz AUSDSLLNUUCHBN-HBMCJLEFSA-N 2 2 314.517 4.250 20 0 DIADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001255727808 1062545348 /nfs/dbraw/zinc/54/53/48/1062545348.db2.gz BMTITWDBTVNOSC-HZPDHXFCSA-N 2 2 324.509 4.016 20 0 DIADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001255727807 1062546994 /nfs/dbraw/zinc/54/69/94/1062546994.db2.gz BMTITWDBTVNOSC-HOTGVXAUSA-N 2 2 324.509 4.016 20 0 DIADLP Cc1ccc(SC[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001255769553 1062593382 /nfs/dbraw/zinc/59/33/82/1062593382.db2.gz IQAHGVCJVOMKAI-MRXNPFEDSA-N 2 2 315.486 4.009 20 0 DIADLP Cc1ccc(C[C@@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)cc1 ZINC001255782991 1062606267 /nfs/dbraw/zinc/60/62/67/1062606267.db2.gz LMBZLSUTZRBKTG-MRXNPFEDSA-N 2 2 305.425 4.121 20 0 DIADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCCCCC1 ZINC001255888056 1062660335 /nfs/dbraw/zinc/66/03/35/1062660335.db2.gz QJHPAQHJMMHSIL-UHFFFAOYSA-N 2 2 300.490 4.306 20 0 DIADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCCCCC1 ZINC001255888056 1062660348 /nfs/dbraw/zinc/66/03/48/1062660348.db2.gz QJHPAQHJMMHSIL-UHFFFAOYSA-N 2 2 300.490 4.306 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC001255941869 1062666331 /nfs/dbraw/zinc/66/63/31/1062666331.db2.gz YIMDIYSLBXAEIL-QWHCGFSZSA-N 2 2 300.849 4.250 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001255945376 1062665543 /nfs/dbraw/zinc/66/55/43/1062665543.db2.gz KULIDFPDPLYYRZ-GFCCVEGCSA-N 2 2 320.374 4.055 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001255942830 1062665777 /nfs/dbraw/zinc/66/57/77/1062665777.db2.gz BKQQBMUSHOJHME-LBPRGKRZSA-N 2 2 320.374 4.055 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)s1 ZINC001256078692 1062698112 /nfs/dbraw/zinc/69/81/12/1062698112.db2.gz CSHYLEQDTDNGLD-CQSZACIVSA-N 2 2 310.894 4.165 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)s1 ZINC001256078692 1062698122 /nfs/dbraw/zinc/69/81/22/1062698122.db2.gz CSHYLEQDTDNGLD-CQSZACIVSA-N 2 2 310.894 4.165 20 0 DIADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256108395 1062707117 /nfs/dbraw/zinc/70/71/17/1062707117.db2.gz AXCUNSXVECNYMJ-ZCNNSNEGSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256108395 1062707133 /nfs/dbraw/zinc/70/71/33/1062707133.db2.gz AXCUNSXVECNYMJ-ZCNNSNEGSA-N 2 2 300.490 4.033 20 0 DIADLP C[C@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548274 1062871408 /nfs/dbraw/zinc/87/14/08/1062871408.db2.gz ADZFWICJSITQMI-PGRDOPGGSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@H]1C[C@H]([NH+]2CC(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548274 1062871423 /nfs/dbraw/zinc/87/14/23/1062871423.db2.gz ADZFWICJSITQMI-PGRDOPGGSA-N 2 2 320.480 4.139 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]3CCC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256555311 1062876828 /nfs/dbraw/zinc/87/68/28/1062876828.db2.gz SZIHYEWEOZVTOI-PMXSJFBMSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]3CCC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256555311 1062876848 /nfs/dbraw/zinc/87/68/48/1062876848.db2.gz SZIHYEWEOZVTOI-PMXSJFBMSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555311 1062876869 /nfs/dbraw/zinc/87/68/69/1062876869.db2.gz SZIHYEWEOZVTOI-PMXSJFBMSA-N 2 2 312.501 4.304 20 0 DIADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256555311 1062876884 /nfs/dbraw/zinc/87/68/84/1062876884.db2.gz SZIHYEWEOZVTOI-PMXSJFBMSA-N 2 2 312.501 4.304 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614845 1062919490 /nfs/dbraw/zinc/91/94/90/1062919490.db2.gz LLQIBZCQMQUABC-AGUYFDCRSA-N 2 2 313.272 4.017 20 0 DIADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614845 1062919512 /nfs/dbraw/zinc/91/95/12/1062919512.db2.gz LLQIBZCQMQUABC-AGUYFDCRSA-N 2 2 313.272 4.017 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c(C)cccc2Cl)CC1 ZINC001460795477 1063063640 /nfs/dbraw/zinc/06/36/40/1063063640.db2.gz QWEJRCTXXJCAOX-UHFFFAOYSA-N 2 2 306.881 4.099 20 0 DIADLP CCC(CC)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001257288699 1063180536 /nfs/dbraw/zinc/18/05/36/1063180536.db2.gz CYHJCPXOJAOTAC-UHFFFAOYSA-N 2 2 322.496 4.486 20 0 DIADLP CCC(CC)[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001257296085 1063187126 /nfs/dbraw/zinc/18/71/26/1063187126.db2.gz FSMAUZMYYOTTFW-UHFFFAOYSA-N 2 2 321.534 4.071 20 0 DIADLP CCC(CC)[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001257296085 1063187139 /nfs/dbraw/zinc/18/71/39/1063187139.db2.gz FSMAUZMYYOTTFW-UHFFFAOYSA-N 2 2 321.534 4.071 20 0 DIADLP CCC[C@@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001257308092 1063193825 /nfs/dbraw/zinc/19/38/25/1063193825.db2.gz GMZFEQNJITUHNL-GOSISDBHSA-N 2 2 322.496 4.486 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC001461043153 1063211881 /nfs/dbraw/zinc/21/18/81/1063211881.db2.gz YMANPLFNYHDXNW-OAHLLOKOSA-N 2 2 311.454 4.098 20 0 DIADLP CCCC1CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC001461088625 1063243515 /nfs/dbraw/zinc/24/35/15/1063243515.db2.gz YRMRZWGIHUYFLW-ABHNRTSZSA-N 2 2 305.510 4.494 20 0 DIADLP CC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC001461092707 1063246637 /nfs/dbraw/zinc/24/66/37/1063246637.db2.gz KQUSALBEVVKVOM-QGZVFWFLSA-N 2 2 323.415 4.295 20 0 DIADLP CCCC[C@H](CC)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257413166 1063261822 /nfs/dbraw/zinc/26/18/22/1063261822.db2.gz AYYPLLFGBVGUMQ-LSDHHAIUSA-N 2 2 313.283 4.007 20 0 DIADLP CCCC[C@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257421456 1063268924 /nfs/dbraw/zinc/26/89/24/1063268924.db2.gz OICWHGZCTOFXJO-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257421456 1063268935 /nfs/dbraw/zinc/26/89/35/1063268935.db2.gz OICWHGZCTOFXJO-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257421456 1063268953 /nfs/dbraw/zinc/26/89/53/1063268953.db2.gz OICWHGZCTOFXJO-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257421456 1063268973 /nfs/dbraw/zinc/26/89/73/1063268973.db2.gz OICWHGZCTOFXJO-IRXDYDNUSA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257421458 1063270348 /nfs/dbraw/zinc/27/03/48/1063270348.db2.gz OICWHGZCTOFXJO-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257421458 1063270369 /nfs/dbraw/zinc/27/03/69/1063270369.db2.gz OICWHGZCTOFXJO-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257421458 1063270384 /nfs/dbraw/zinc/27/03/84/1063270384.db2.gz OICWHGZCTOFXJO-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCC[C@H](CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257421458 1063270405 /nfs/dbraw/zinc/27/04/05/1063270405.db2.gz OICWHGZCTOFXJO-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001257427918 1063273597 /nfs/dbraw/zinc/27/35/97/1063273597.db2.gz WXMUKBKEDXYGDQ-CYBMUJFWSA-N 2 2 314.395 4.058 20 0 DIADLP CC[C@@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001257430222 1063273975 /nfs/dbraw/zinc/27/39/75/1063273975.db2.gz JIDJKDOMVPTANV-QGZVFWFLSA-N 2 2 308.469 4.096 20 0 DIADLP CCCCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257501533 1063310817 /nfs/dbraw/zinc/31/08/17/1063310817.db2.gz BKIVENPUXMTACZ-IUODEOHRSA-N 2 2 313.283 4.007 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC001461195259 1063323900 /nfs/dbraw/zinc/32/39/00/1063323900.db2.gz UXSHPIQQNITJGX-WTQUMQLASA-N 2 2 306.881 4.207 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC001461195259 1063323920 /nfs/dbraw/zinc/32/39/20/1063323920.db2.gz UXSHPIQQNITJGX-WTQUMQLASA-N 2 2 306.881 4.207 20 0 DIADLP c1cn2cc(C[NH2+]C3CCC(c4ccccc4)CC3)ccc2[nH+]1 ZINC001257996225 1063455976 /nfs/dbraw/zinc/45/59/76/1063455976.db2.gz SDGNXNLLGYNRPV-UHFFFAOYSA-N 2 2 305.425 4.150 20 0 DIADLP C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001461406113 1063477714 /nfs/dbraw/zinc/47/77/14/1063477714.db2.gz OODCMWSKLZMHQM-CYBMUJFWSA-N 2 2 324.453 4.057 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258053087 1063486146 /nfs/dbraw/zinc/48/61/46/1063486146.db2.gz UGEFBXHGHYEBAE-MSOLQXFVSA-N 2 2 302.506 4.169 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258064703 1063493268 /nfs/dbraw/zinc/49/32/68/1063493268.db2.gz RNALIMAQBVLLHG-IAGOWNOFSA-N 2 2 304.478 4.386 20 0 DIADLP CC(C)C[C@@H](C)C[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258073925 1063499778 /nfs/dbraw/zinc/49/97/78/1063499778.db2.gz HGDNUJSIJAGORF-IAGOWNOFSA-N 2 2 303.494 4.101 20 0 DIADLP CC1(C)C[C@H]([NH2+]C2CCC3(CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001461488947 1063534054 /nfs/dbraw/zinc/53/40/54/1063534054.db2.gz RBVVBSXGMVJYDL-IBGZPJMESA-N 2 2 312.501 4.352 20 0 DIADLP CC1(C)C[C@H]([NH2+]C2CCC3(CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001461488947 1063534067 /nfs/dbraw/zinc/53/40/67/1063534067.db2.gz RBVVBSXGMVJYDL-IBGZPJMESA-N 2 2 312.501 4.352 20 0 DIADLP C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001461549541 1063575761 /nfs/dbraw/zinc/57/57/61/1063575761.db2.gz LORCXNZQEHYHEN-INIZCTEOSA-N 2 2 304.522 4.093 20 0 DIADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001258326770 1063613175 /nfs/dbraw/zinc/61/31/75/1063613175.db2.gz HTWXCAOEMQXZLG-WMZOPIPTSA-N 2 2 320.546 4.161 20 0 DIADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001258326770 1063613182 /nfs/dbraw/zinc/61/31/82/1063613182.db2.gz HTWXCAOEMQXZLG-WMZOPIPTSA-N 2 2 320.546 4.161 20 0 DIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc2cccnc12 ZINC001461646894 1063633660 /nfs/dbraw/zinc/63/36/60/1063633660.db2.gz VTLYOIYYHMUUDV-HXUWFJFHSA-N 2 2 323.484 4.040 20 0 DIADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc2cccnc12 ZINC001461646894 1063633668 /nfs/dbraw/zinc/63/36/68/1063633668.db2.gz VTLYOIYYHMUUDV-HXUWFJFHSA-N 2 2 323.484 4.040 20 0 DIADLP CC(C)(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1 ZINC001461697788 1063664857 /nfs/dbraw/zinc/66/48/57/1063664857.db2.gz BMNHPSFYQWBIJK-HXUWFJFHSA-N 2 2 314.517 4.351 20 0 DIADLP CC(C)(C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)c1ccccc1 ZINC001461697788 1063664861 /nfs/dbraw/zinc/66/48/61/1063664861.db2.gz BMNHPSFYQWBIJK-HXUWFJFHSA-N 2 2 314.517 4.351 20 0 DIADLP C[C@@H](CC1CC1)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001258462622 1063665576 /nfs/dbraw/zinc/66/55/76/1063665576.db2.gz KCQKVEFBLZSHKA-AWEZNQCLSA-N 2 2 321.424 4.182 20 0 DIADLP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001258775408 1063817052 /nfs/dbraw/zinc/81/70/52/1063817052.db2.gz NQTPTEOQGKUZIE-CQSZACIVSA-N 2 2 312.910 4.413 20 0 DIADLP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001258775408 1063817068 /nfs/dbraw/zinc/81/70/68/1063817068.db2.gz NQTPTEOQGKUZIE-CQSZACIVSA-N 2 2 312.910 4.413 20 0 DIADLP C[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830777 1063852380 /nfs/dbraw/zinc/85/23/80/1063852380.db2.gz SFSJJRCOHOTOCI-JXFKEZNVSA-N 2 2 318.480 4.301 20 0 DIADLP C[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001258830777 1063852399 /nfs/dbraw/zinc/85/23/99/1063852399.db2.gz SFSJJRCOHOTOCI-JXFKEZNVSA-N 2 2 318.480 4.301 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc2ccccc12 ZINC000378907378 1063981069 /nfs/dbraw/zinc/98/10/69/1063981069.db2.gz QKCABUUADKTOLE-QGZVFWFLSA-N 2 2 313.470 4.302 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386829324 1064060927 /nfs/dbraw/zinc/06/09/27/1064060927.db2.gz HMWYBGACSRBZNX-GOSISDBHSA-N 2 2 302.506 4.313 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386829324 1064060930 /nfs/dbraw/zinc/06/09/30/1064060930.db2.gz HMWYBGACSRBZNX-GOSISDBHSA-N 2 2 302.506 4.313 20 0 DIADLP CCc1ccc(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000387449118 1064074733 /nfs/dbraw/zinc/07/47/33/1064074733.db2.gz QJQFBBFQEZJMLY-UHFFFAOYSA-N 2 2 322.496 4.393 20 0 DIADLP CCc1ccc(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000387449118 1064074740 /nfs/dbraw/zinc/07/47/40/1064074740.db2.gz QJQFBBFQEZJMLY-UHFFFAOYSA-N 2 2 322.496 4.393 20 0 DIADLP CC(C)C[C@H](CNc1cc(C(C)C)[nH+]c(C(C)C)n1)[NH+](C)C ZINC001306924339 1064720423 /nfs/dbraw/zinc/72/04/23/1064720423.db2.gz MAEPCLQJNQNFOS-OAHLLOKOSA-N 2 2 306.498 4.112 20 0 DIADLP C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC001307427555 1065388402 /nfs/dbraw/zinc/38/84/02/1065388402.db2.gz QWXWWOUUFQATBV-UHFFFAOYSA-N 2 2 321.317 4.219 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCSC(C)(C)C ZINC001307585777 1065499274 /nfs/dbraw/zinc/49/92/74/1065499274.db2.gz KVZSHVAHAXLECS-UHFFFAOYSA-N 2 2 322.562 4.408 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCSC(C)(C)C ZINC001307585777 1065499277 /nfs/dbraw/zinc/49/92/77/1065499277.db2.gz KVZSHVAHAXLECS-UHFFFAOYSA-N 2 2 322.562 4.408 20 0 DIADLP Cc1cccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC001307680432 1065559765 /nfs/dbraw/zinc/55/97/65/1065559765.db2.gz SHUROGOKIBTBIH-HXUWFJFHSA-N 2 2 317.436 4.170 20 0 DIADLP Cc1cccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC001307680432 1065559779 /nfs/dbraw/zinc/55/97/79/1065559779.db2.gz SHUROGOKIBTBIH-HXUWFJFHSA-N 2 2 317.436 4.170 20 0 DIADLP CC1(C)c2ccccc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307866186 1065660740 /nfs/dbraw/zinc/66/07/40/1065660740.db2.gz VUGPNLUGBSFJFE-UHFFFAOYSA-N 2 2 317.436 4.166 20 0 DIADLP CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307866186 1065660747 /nfs/dbraw/zinc/66/07/47/1065660747.db2.gz VUGPNLUGBSFJFE-UHFFFAOYSA-N 2 2 317.436 4.166 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC001307983647 1065712896 /nfs/dbraw/zinc/71/28/96/1065712896.db2.gz SDMOCCPLCIJWBD-UHFFFAOYSA-N 2 2 322.443 4.465 20 0 DIADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(-c2cccs2)cc1 ZINC001308068355 1065747328 /nfs/dbraw/zinc/74/73/28/1065747328.db2.gz NLPXEMHMFSRFAS-ZWKOTPCHSA-N 2 2 312.482 4.084 20 0 DIADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(-c2cccs2)cc1 ZINC001308068355 1065747335 /nfs/dbraw/zinc/74/73/35/1065747335.db2.gz NLPXEMHMFSRFAS-ZWKOTPCHSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccc(-c2cccs2)cc1 ZINC001308068355 1065747344 /nfs/dbraw/zinc/74/73/44/1065747344.db2.gz NLPXEMHMFSRFAS-ZWKOTPCHSA-N 2 2 312.482 4.084 20 0 DIADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccc(-c2cccs2)cc1 ZINC001308068355 1065747350 /nfs/dbraw/zinc/74/73/50/1065747350.db2.gz NLPXEMHMFSRFAS-ZWKOTPCHSA-N 2 2 312.482 4.084 20 0 DIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001308166863 1065786232 /nfs/dbraw/zinc/78/62/32/1065786232.db2.gz MHAGISRJFXHGBO-UHFFFAOYSA-N 2 2 324.255 4.107 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cs1 ZINC001308166375 1065787686 /nfs/dbraw/zinc/78/76/86/1065787686.db2.gz WIXYBNRKEAHYIE-INIZCTEOSA-N 2 2 317.502 4.388 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cs1 ZINC001308166375 1065787697 /nfs/dbraw/zinc/78/76/97/1065787697.db2.gz WIXYBNRKEAHYIE-INIZCTEOSA-N 2 2 317.502 4.388 20 0 DIADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001308166724 1065788407 /nfs/dbraw/zinc/78/84/07/1065788407.db2.gz KNVBGCZSEHCDSZ-UHFFFAOYSA-N 2 2 324.255 4.107 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCCCC3)o2)cc1 ZINC001308185693 1065796801 /nfs/dbraw/zinc/79/68/01/1065796801.db2.gz GBXOOSITTLIEHF-UHFFFAOYSA-N 2 2 312.457 4.221 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cccs2)c(C)c1 ZINC001308344011 1065927851 /nfs/dbraw/zinc/92/78/51/1065927851.db2.gz ZOVRNXYHGCOXTK-SFHVURJKSA-N 2 2 311.454 4.093 20 0 DIADLP C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360969 1065938978 /nfs/dbraw/zinc/93/89/78/1065938978.db2.gz UJKMUFMSZUMCLY-CYBMUJFWSA-N 2 2 324.453 4.057 20 0 DIADLP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360755 1065939816 /nfs/dbraw/zinc/93/98/16/1065939816.db2.gz QNPHGDSSTMTNIX-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP CCCc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001308465634 1066006689 /nfs/dbraw/zinc/00/66/89/1066006689.db2.gz BLMPZGOCHXJSSH-FQEVSTJZSA-N 2 2 300.490 4.136 20 0 DIADLP CCCc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001308465634 1066006695 /nfs/dbraw/zinc/00/66/95/1066006695.db2.gz BLMPZGOCHXJSSH-FQEVSTJZSA-N 2 2 300.490 4.136 20 0 DIADLP Fc1cccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001308492263 1066025944 /nfs/dbraw/zinc/02/59/44/1066025944.db2.gz KAAQLZHNTGPBTQ-IEJURRBGSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1cccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001308492263 1066025949 /nfs/dbraw/zinc/02/59/49/1066025949.db2.gz KAAQLZHNTGPBTQ-IEJURRBGSA-N 2 2 316.464 4.226 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592914 1066105232 /nfs/dbraw/zinc/10/52/32/1066105232.db2.gz OVKVCKURXRJVOJ-UHZRXMQZSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592914 1066105236 /nfs/dbraw/zinc/10/52/36/1066105236.db2.gz OVKVCKURXRJVOJ-UHZRXMQZSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592914 1066105239 /nfs/dbraw/zinc/10/52/39/1066105239.db2.gz OVKVCKURXRJVOJ-UHZRXMQZSA-N 2 2 304.522 4.316 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001308592914 1066105243 /nfs/dbraw/zinc/10/52/43/1066105243.db2.gz OVKVCKURXRJVOJ-UHZRXMQZSA-N 2 2 304.522 4.316 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC001308613139 1066117872 /nfs/dbraw/zinc/11/78/72/1066117872.db2.gz CCOBCDBMORRAOR-PLNGDYQASA-N 2 2 309.457 4.159 20 0 DIADLP C[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1ccccc1 ZINC001308716150 1066195727 /nfs/dbraw/zinc/19/57/27/1066195727.db2.gz LOCCRTFSYQSIDB-IBGZPJMESA-N 2 2 314.517 4.426 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001308738266 1066212825 /nfs/dbraw/zinc/21/28/25/1066212825.db2.gz RPCYCQIRALKBOX-ZCNNSNEGSA-N 2 2 314.517 4.108 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001308738266 1066212833 /nfs/dbraw/zinc/21/28/33/1066212833.db2.gz RPCYCQIRALKBOX-ZCNNSNEGSA-N 2 2 314.517 4.108 20 0 DIADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC001308785728 1066259606 /nfs/dbraw/zinc/25/96/06/1066259606.db2.gz SEDIXDFYULVGTE-SNPRPXQTSA-N 2 2 315.848 4.050 20 0 DIADLP C([NH2+][C@H]1CCCCC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864218 1066344846 /nfs/dbraw/zinc/34/48/46/1066344846.db2.gz MKDFNDQYELDUSE-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@H]1CCCCC12CCCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001308864218 1066344861 /nfs/dbraw/zinc/34/48/61/1066344861.db2.gz MKDFNDQYELDUSE-OALUTQOASA-N 2 2 304.522 4.486 20 0 DIADLP Cc1ccccc1C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001308863748 1066345054 /nfs/dbraw/zinc/34/50/54/1066345054.db2.gz JMCYIUXJHUIUNE-AFMYVXGZSA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccccc1C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001308863748 1066345071 /nfs/dbraw/zinc/34/50/71/1066345071.db2.gz JMCYIUXJHUIUNE-AFMYVXGZSA-N 2 2 312.501 4.238 20 0 DIADLP CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001308888110 1066368329 /nfs/dbraw/zinc/36/83/29/1066368329.db2.gz LMCHMTJBZMSKIS-QKLQHJQFSA-N 2 2 302.506 4.061 20 0 DIADLP CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001308888110 1066368342 /nfs/dbraw/zinc/36/83/42/1066368342.db2.gz LMCHMTJBZMSKIS-QKLQHJQFSA-N 2 2 302.506 4.061 20 0 DIADLP COc1c(C)c[nH+]c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1C ZINC000078831272 185117631 /nfs/dbraw/zinc/11/76/31/185117631.db2.gz CFOYPFGTKOZPDI-QGZVFWFLSA-N 2 2 314.429 4.417 20 0 DIADLP COc1c(C)c[nH+]c(C[N@H+]2CCCCC[C@@H]2c2ccco2)c1C ZINC000078831272 185117634 /nfs/dbraw/zinc/11/76/34/185117634.db2.gz CFOYPFGTKOZPDI-QGZVFWFLSA-N 2 2 314.429 4.417 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000090667471 185308679 /nfs/dbraw/zinc/30/86/79/185308679.db2.gz GIRLRTBSFMJUMF-QZTJIDSGSA-N 2 2 323.484 4.266 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCCC1 ZINC000090667857 185308847 /nfs/dbraw/zinc/30/88/47/185308847.db2.gz QLHIAMCRAOZBAV-IAGOWNOFSA-N 2 2 315.505 4.165 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCCC1 ZINC000090667856 185308896 /nfs/dbraw/zinc/30/88/96/185308896.db2.gz QLHIAMCRAOZBAV-SJORKVTESA-N 2 2 315.505 4.165 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000090667639 185308906 /nfs/dbraw/zinc/30/89/06/185308906.db2.gz FRPMVGZWRDPKOR-ZACQAIPSSA-N 2 2 315.505 4.021 20 0 DIADLP C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)Cn1cc[nH+]c1 ZINC000062254337 335031915 /nfs/dbraw/zinc/03/19/15/335031915.db2.gz SDSNVBPXZTYTHU-HNNXBMFYSA-N 2 2 311.454 4.038 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C ZINC000273093534 130089432 /nfs/dbraw/zinc/08/94/32/130089432.db2.gz SDKLFIWIPFZQLZ-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000284079020 131046534 /nfs/dbraw/zinc/04/65/34/131046534.db2.gz BAYPSMSGDBEXKE-CQSZACIVSA-N 2 2 321.852 4.065 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000286328863 131230234 /nfs/dbraw/zinc/23/02/34/131230234.db2.gz XWQKPWSPISSYAQ-CMKODMSKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000286328863 131230236 /nfs/dbraw/zinc/23/02/36/131230236.db2.gz XWQKPWSPISSYAQ-CMKODMSKSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000286328868 131230582 /nfs/dbraw/zinc/23/05/82/131230582.db2.gz XWQKPWSPISSYAQ-WSTZPKSXSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000286328868 131230584 /nfs/dbraw/zinc/23/05/84/131230584.db2.gz XWQKPWSPISSYAQ-WSTZPKSXSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000289291139 131371460 /nfs/dbraw/zinc/37/14/60/131371460.db2.gz RBWJKIFSSXYAAX-KKSFZXQISA-N 2 2 317.436 4.270 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)c1ccccc1 ZINC000163894909 132126987 /nfs/dbraw/zinc/12/69/87/132126987.db2.gz GJKHOQRFFFXLPP-QGZVFWFLSA-N 2 2 323.484 4.006 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000121357474 132154023 /nfs/dbraw/zinc/15/40/23/132154023.db2.gz QKQPKZMUKCCSOK-AWEZNQCLSA-N 2 2 315.848 4.055 20 0 DIADLP CCc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000603382790 435335045 /nfs/dbraw/zinc/33/50/45/435335045.db2.gz QJEIAAXVAPRXGO-INIZCTEOSA-N 2 2 324.472 4.026 20 0 DIADLP CCc1cc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000603382790 435335053 /nfs/dbraw/zinc/33/50/53/435335053.db2.gz QJEIAAXVAPRXGO-INIZCTEOSA-N 2 2 324.472 4.026 20 0 DIADLP CCc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc[nH+]1 ZINC000603385193 435335248 /nfs/dbraw/zinc/33/52/48/435335248.db2.gz BLAGDYMJZDWZCL-UHFFFAOYSA-N 2 2 324.472 4.027 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000037320309 331555001 /nfs/dbraw/zinc/55/50/01/331555001.db2.gz LNJUVBUALIYZMF-ZJUUUORDSA-N 2 2 316.207 4.068 20 0 DIADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000533578057 331593201 /nfs/dbraw/zinc/59/32/01/331593201.db2.gz USBMZZOFCRWEHF-NTCAYCPXSA-N 2 2 303.837 4.010 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCCC2CC2)CC1 ZINC000557261976 331779344 /nfs/dbraw/zinc/77/93/44/331779344.db2.gz LVYAPMWRRAZQQJ-UHFFFAOYSA-N 2 2 306.881 4.084 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000584199775 331860553 /nfs/dbraw/zinc/86/05/53/331860553.db2.gz XEUMZZIQJWJSER-XLIONFOSSA-N 2 2 312.432 4.388 20 0 DIADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000569410963 332078191 /nfs/dbraw/zinc/07/81/91/332078191.db2.gz PHQCTEGXKMJJOY-VQIMIIECSA-N 2 2 311.473 4.236 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000091669150 332109912 /nfs/dbraw/zinc/10/99/12/332109912.db2.gz DTTHTOOHYQUSBW-UHFFFAOYSA-N 2 2 318.461 4.080 20 0 DIADLP C[C@@H](Cc1ccsc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000569555376 332137220 /nfs/dbraw/zinc/13/72/20/332137220.db2.gz IHBBIGRXNGEVCJ-IFXJQAMLSA-N 2 2 310.466 4.122 20 0 DIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)s1 ZINC000554883800 332252448 /nfs/dbraw/zinc/25/24/48/332252448.db2.gz ACUBMSJFLXZJSI-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)s1 ZINC000554883800 332252449 /nfs/dbraw/zinc/25/24/49/332252449.db2.gz ACUBMSJFLXZJSI-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)c[nH+]1 ZINC000559739069 332278984 /nfs/dbraw/zinc/27/89/84/332278984.db2.gz HLDMKTAAGNULPZ-IBGZPJMESA-N 2 2 309.457 4.134 20 0 DIADLP CCc1ccc([C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C(C)C)cc1 ZINC000560270688 332326128 /nfs/dbraw/zinc/32/61/28/332326128.db2.gz QBBNOAPILZKSPQ-HXUWFJFHSA-N 2 2 311.473 4.269 20 0 DIADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000246847485 332536525 /nfs/dbraw/zinc/53/65/25/332536525.db2.gz HYIWKSJDMHEFKI-OWCLPIDISA-N 2 2 314.395 4.000 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427848964 332539030 /nfs/dbraw/zinc/53/90/30/332539030.db2.gz YKFXZKVCYMXQEY-DOMZBBRYSA-N 2 2 324.255 4.246 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151359725 332573831 /nfs/dbraw/zinc/57/38/31/332573831.db2.gz FYBLYSOSNONLBQ-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cc4ccccc4s3)n2c1 ZINC000570062626 332707635 /nfs/dbraw/zinc/70/76/35/332707635.db2.gz RHTGBMZXZSVTAM-UHFFFAOYSA-N 2 2 307.422 4.147 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000518775922 333128564 /nfs/dbraw/zinc/12/85/64/333128564.db2.gz IVLBMXPOUYXQEY-APWZRJJASA-N 2 2 312.432 4.059 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000518775922 333128565 /nfs/dbraw/zinc/12/85/65/333128565.db2.gz IVLBMXPOUYXQEY-APWZRJJASA-N 2 2 312.432 4.059 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000518775925 333129058 /nfs/dbraw/zinc/12/90/58/333129058.db2.gz IVLBMXPOUYXQEY-VQIMIIECSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000518775925 333129059 /nfs/dbraw/zinc/12/90/59/333129059.db2.gz IVLBMXPOUYXQEY-VQIMIIECSA-N 2 2 312.432 4.059 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776522 333147527 /nfs/dbraw/zinc/14/75/27/333147527.db2.gz BCXSXMOWMMFZME-GHTZIAJQSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776522 333147529 /nfs/dbraw/zinc/14/75/29/333147529.db2.gz BCXSXMOWMMFZME-GHTZIAJQSA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)s1 ZINC000518786231 333239098 /nfs/dbraw/zinc/23/90/98/333239098.db2.gz VXLBXBICOJEBLF-IBGZPJMESA-N 2 2 314.498 4.292 20 0 DIADLP C[NH+]1CCC([NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497530195 333260244 /nfs/dbraw/zinc/26/02/44/333260244.db2.gz QHUGFUWROQNNGT-SFHVURJKSA-N 2 2 300.446 4.204 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000390519687 333289386 /nfs/dbraw/zinc/28/93/86/333289386.db2.gz FRLBALDGZMSZQR-NVXWUHKLSA-N 2 2 300.471 4.063 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000390519687 333289388 /nfs/dbraw/zinc/28/93/88/333289388.db2.gz FRLBALDGZMSZQR-NVXWUHKLSA-N 2 2 300.471 4.063 20 0 DIADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000390534839 333292440 /nfs/dbraw/zinc/29/24/40/333292440.db2.gz OJJREACVEMKJJK-HNNXBMFYSA-N 2 2 320.889 4.156 20 0 DIADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000390534839 333292441 /nfs/dbraw/zinc/29/24/41/333292441.db2.gz OJJREACVEMKJJK-HNNXBMFYSA-N 2 2 320.889 4.156 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390563863 333300594 /nfs/dbraw/zinc/30/05/94/333300594.db2.gz NRAUTFONQURQFV-IEBWSBKVSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390563863 333300595 /nfs/dbraw/zinc/30/05/95/333300595.db2.gz NRAUTFONQURQFV-IEBWSBKVSA-N 2 2 324.468 4.010 20 0 DIADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390564917 333300914 /nfs/dbraw/zinc/30/09/14/333300914.db2.gz ORWWFJCDFSUDGQ-XLIONFOSSA-N 2 2 324.468 4.010 20 0 DIADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390564917 333300915 /nfs/dbraw/zinc/30/09/15/333300915.db2.gz ORWWFJCDFSUDGQ-XLIONFOSSA-N 2 2 324.468 4.010 20 0 DIADLP CC[N@H+](CCC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781262 333305885 /nfs/dbraw/zinc/30/58/85/333305885.db2.gz BBUCCSOFKUECLJ-UHFFFAOYSA-N 2 2 303.494 4.056 20 0 DIADLP CC[N@@H+](CCC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525781262 333305886 /nfs/dbraw/zinc/30/58/86/333305886.db2.gz BBUCCSOFKUECLJ-UHFFFAOYSA-N 2 2 303.494 4.056 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000121358813 333385875 /nfs/dbraw/zinc/38/58/75/333385875.db2.gz GCNJTNTXKCWVEF-QGZVFWFLSA-N 2 2 309.457 4.018 20 0 DIADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2Oc2ccc(C)cc2)n1C ZINC000563439186 333605750 /nfs/dbraw/zinc/60/57/50/333605750.db2.gz JSRMUWOFCLQNHB-UHFFFAOYSA-N 2 2 321.424 4.119 20 0 DIADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C(F)(F)F ZINC000414385203 333957022 /nfs/dbraw/zinc/95/70/22/333957022.db2.gz VGIHWQYQTHXQKF-UHFFFAOYSA-N 2 2 323.362 4.047 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000343474246 335168086 /nfs/dbraw/zinc/16/80/86/335168086.db2.gz IRRISIIRTCJVQX-MGPUTAFESA-N 2 2 303.409 4.210 20 0 DIADLP CC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)(F)F ZINC000414515795 334004329 /nfs/dbraw/zinc/00/43/29/334004329.db2.gz MYEUPOLLDMOJJS-NSHDSACASA-N 2 2 317.380 4.002 20 0 DIADLP C[C@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000414840507 334111991 /nfs/dbraw/zinc/11/19/91/334111991.db2.gz XEILEYJHDXBPED-CXAGYDPISA-N 2 2 322.374 4.099 20 0 DIADLP Cc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cs1 ZINC000294657165 334211871 /nfs/dbraw/zinc/21/18/71/334211871.db2.gz ADXYBARBLOZLCZ-RBUKOAKNSA-N 2 2 323.465 4.271 20 0 DIADLP c1cn(CCCC[NH2+]CC2CCC(c3ccccc3)CC2)c[nH+]1 ZINC000582149048 334273080 /nfs/dbraw/zinc/27/30/80/334273080.db2.gz TXZMJZMGHVDODT-UHFFFAOYSA-N 2 2 311.473 4.227 20 0 DIADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091083 334280390 /nfs/dbraw/zinc/28/03/90/334280390.db2.gz YTQCAJXEAUUXFI-RDTXWAMCSA-N 2 2 318.823 4.062 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c2ccccc12 ZINC000531938608 334299512 /nfs/dbraw/zinc/29/95/12/334299512.db2.gz ADQUOFABXUWGNS-MRXNPFEDSA-N 2 2 323.440 4.176 20 0 DIADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000531941865 334301710 /nfs/dbraw/zinc/30/17/10/334301710.db2.gz LFKDVMFDEWJUKP-QGZVFWFLSA-N 2 2 313.832 4.271 20 0 DIADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc2ccccc21 ZINC000531942034 334301933 /nfs/dbraw/zinc/30/19/33/334301933.db2.gz NPZDHAICOMFZFP-INIZCTEOSA-N 2 2 315.420 4.381 20 0 DIADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cccc2cc[nH]c21)[NH+](C)C ZINC000443010607 338441917 /nfs/dbraw/zinc/44/19/17/338441917.db2.gz BYWXBLLCPXZYTE-HRAATJIYSA-N 2 2 321.468 4.257 20 0 DIADLP CCC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccsc1 ZINC000443085541 338443768 /nfs/dbraw/zinc/44/37/68/338443768.db2.gz BWXSKXHINKIEPS-INIZCTEOSA-N 2 2 303.475 4.466 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)CCC2 ZINC000531988080 334361321 /nfs/dbraw/zinc/36/13/21/334361321.db2.gz QCGUXBRJKHQHTQ-MOPGFXCFSA-N 2 2 309.457 4.200 20 0 DIADLP Clc1ccc2[nH+]c(CNc3cccc4cc[nH+]cc43)cn2c1 ZINC000532032828 334380880 /nfs/dbraw/zinc/38/08/80/334380880.db2.gz RBCRFIUVRJYHDD-UHFFFAOYSA-N 2 2 308.772 4.148 20 0 DIADLP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000127220339 334874916 /nfs/dbraw/zinc/87/49/16/334874916.db2.gz HMPIDPWHHCHCSR-UHFFFAOYSA-N 2 2 312.392 4.080 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3ccccc3s1)CCC2 ZINC000344546143 335260777 /nfs/dbraw/zinc/26/07/77/335260777.db2.gz KNQOXBBCNLVKEE-OAHLLOKOSA-N 2 2 311.454 4.073 20 0 DIADLP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(-c3ccccc3)c1)CCC2 ZINC000344547083 335260853 /nfs/dbraw/zinc/26/08/53/335260853.db2.gz LDTLSIRXKYELFG-HXUWFJFHSA-N 2 2 317.436 4.217 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000344829223 335278584 /nfs/dbraw/zinc/27/85/84/335278584.db2.gz NKCVLNXOTYQUAS-NVXWUHKLSA-N 2 2 321.534 4.011 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000344829225 335278617 /nfs/dbraw/zinc/27/86/17/335278617.db2.gz NKCVLNXOTYQUAS-RDJZCZTQSA-N 2 2 321.534 4.011 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1csc(Cl)c1 ZINC000345318479 335316863 /nfs/dbraw/zinc/31/68/63/335316863.db2.gz WEEQBPZMMCEKBU-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139051 335380168 /nfs/dbraw/zinc/38/01/68/335380168.db2.gz KEOVDYVPYITMCK-ZDUSSCGKSA-N 2 2 315.417 4.266 20 0 DIADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139051 335380170 /nfs/dbraw/zinc/38/01/70/335380170.db2.gz KEOVDYVPYITMCK-ZDUSSCGKSA-N 2 2 315.417 4.266 20 0 DIADLP C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139049 335380348 /nfs/dbraw/zinc/38/03/48/335380348.db2.gz KEOVDYVPYITMCK-CYBMUJFWSA-N 2 2 315.417 4.266 20 0 DIADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139049 335380350 /nfs/dbraw/zinc/38/03/50/335380350.db2.gz KEOVDYVPYITMCK-CYBMUJFWSA-N 2 2 315.417 4.266 20 0 DIADLP CC[N@H+](CCc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142359 335380798 /nfs/dbraw/zinc/38/07/98/335380798.db2.gz AMMFEDGUNWNQRE-UHFFFAOYSA-N 2 2 317.483 4.060 20 0 DIADLP CC[N@@H+](CCc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142359 335380800 /nfs/dbraw/zinc/38/08/00/335380800.db2.gz AMMFEDGUNWNQRE-UHFFFAOYSA-N 2 2 317.483 4.060 20 0 DIADLP FC(F)(F)c1ccccc1[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000346300871 335396363 /nfs/dbraw/zinc/39/63/63/335396363.db2.gz DDRQGESTTIYBLB-INIZCTEOSA-N 2 2 323.362 4.129 20 0 DIADLP Cc1sc(C[NH2+]CCCc2c[nH+]ccc2C)nc1C(C)C ZINC000348049169 335548195 /nfs/dbraw/zinc/54/81/95/335548195.db2.gz VLIARJFMNAKWCQ-UHFFFAOYSA-N 2 2 303.475 4.001 20 0 DIADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535577587 335654276 /nfs/dbraw/zinc/65/42/76/335654276.db2.gz ZXGGZXHUQRFAFE-AWEZNQCLSA-N 2 2 315.848 4.373 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@H](c1ccccc1)[NH+](C)C ZINC000349652382 335688693 /nfs/dbraw/zinc/68/86/93/335688693.db2.gz FERPTLORHLHFML-IIBYNOLFSA-N 2 2 319.452 4.016 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000324161117 336099970 /nfs/dbraw/zinc/09/99/70/336099970.db2.gz NEQYHWPRBYNAHH-AWEZNQCLSA-N 2 2 319.408 4.442 20 0 DIADLP C[C@@H](CCSc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352129117 336195830 /nfs/dbraw/zinc/19/58/30/336195830.db2.gz NDVULSXKLLIGHS-HNNXBMFYSA-N 2 2 315.486 4.160 20 0 DIADLP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1F ZINC000352558761 336224553 /nfs/dbraw/zinc/22/45/53/336224553.db2.gz ZEAANCQTCYEEKG-INIZCTEOSA-N 2 2 311.404 4.376 20 0 DIADLP c1[nH]cc(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000532748760 336269496 /nfs/dbraw/zinc/26/94/96/336269496.db2.gz FZTZLMKFMSBCRO-UHFFFAOYSA-N 2 2 317.436 4.456 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000526949214 336275706 /nfs/dbraw/zinc/27/57/06/336275706.db2.gz NGRVLJFAOFLNGK-UWVAXJGDSA-N 2 2 314.473 4.190 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000325105856 336279604 /nfs/dbraw/zinc/27/96/04/336279604.db2.gz WLRJYQZSQSQZHS-JOCHJYFZSA-N 2 2 322.496 4.467 20 0 DIADLP COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325296739 336282837 /nfs/dbraw/zinc/28/28/37/336282837.db2.gz OIMGNMLMMDNALL-HZPDHXFCSA-N 2 2 321.424 4.293 20 0 DIADLP Clc1ccccc1C[NH+]1CCC(CNc2cccc[nH+]2)CC1 ZINC000301167843 336292994 /nfs/dbraw/zinc/29/29/94/336292994.db2.gz CQYPVYZCBFAAHZ-UHFFFAOYSA-N 2 2 315.848 4.059 20 0 DIADLP Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000301657993 336321282 /nfs/dbraw/zinc/32/12/82/336321282.db2.gz ILYABGZHTUZPOL-UHFFFAOYSA-N 2 2 315.436 4.357 20 0 DIADLP Cc1ccc2[nH+]ccc(NCc3cn4cccc(C)c4[nH+]3)c2c1 ZINC000302215771 336354407 /nfs/dbraw/zinc/35/44/07/336354407.db2.gz JBAAMXCAHGGSSM-UHFFFAOYSA-N 2 2 302.381 4.111 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000302451259 336359039 /nfs/dbraw/zinc/35/90/39/336359039.db2.gz NRMONPREIIYZHS-UHFFFAOYSA-N 2 2 320.440 4.144 20 0 DIADLP COc1cccc2c(NCc3[nH+]ccn3CC(C)C)c(C)c[nH+]c12 ZINC000302683764 336364837 /nfs/dbraw/zinc/36/48/37/336364837.db2.gz XRGBWGPAZYJPNA-UHFFFAOYSA-N 2 2 324.428 4.016 20 0 DIADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808174 336370090 /nfs/dbraw/zinc/37/00/90/336370090.db2.gz GGTOAOHJZNBNLI-WBVHZDCISA-N 2 2 319.811 4.040 20 0 DIADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000302808174 336370091 /nfs/dbraw/zinc/37/00/91/336370091.db2.gz GGTOAOHJZNBNLI-WBVHZDCISA-N 2 2 319.811 4.040 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358310604 336623274 /nfs/dbraw/zinc/62/32/74/336623274.db2.gz YIAVZPISBYSGKO-DZGCQCFKSA-N 2 2 305.372 4.101 20 0 DIADLP C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358353265 336625702 /nfs/dbraw/zinc/62/57/02/336625702.db2.gz JUSPIEMPBFCIAV-QRWLVFNGSA-N 2 2 318.424 4.069 20 0 DIADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)ccc1F ZINC000359075011 336656520 /nfs/dbraw/zinc/65/65/20/336656520.db2.gz RUVLRACBRFHCLW-JTTJXQCZSA-N 2 2 308.416 4.022 20 0 DIADLP Fc1cc(C[NH2+]Cc2ccsc2Cl)ccc1-n1cc[nH+]c1 ZINC000359974229 336696137 /nfs/dbraw/zinc/69/61/37/336696137.db2.gz FOJNQUWMMHFVNQ-UHFFFAOYSA-N 2 2 321.808 4.016 20 0 DIADLP CCC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000361215700 336744647 /nfs/dbraw/zinc/74/46/47/336744647.db2.gz JKNJQQJZFDFFCY-LJQANCHMSA-N 2 2 318.505 4.007 20 0 DIADLP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000361482245 336758545 /nfs/dbraw/zinc/75/85/45/336758545.db2.gz WDYGERCMBBPOLF-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000368032567 336836047 /nfs/dbraw/zinc/83/60/47/336836047.db2.gz ZQKBWIOMTDQVCK-OAQYLSRUSA-N 2 2 324.468 4.080 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(Cl)ccc1Cl ZINC000368498430 336846207 /nfs/dbraw/zinc/84/62/07/336846207.db2.gz HUCLTSJEWNLXSA-LLVKDONJSA-N 2 2 324.255 4.377 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](c3ccccc3)C1(C)C)CCC2 ZINC000369936145 336874542 /nfs/dbraw/zinc/87/45/42/336874542.db2.gz XTUVNCWRKZLEEZ-IPMKNSEASA-N 2 2 323.484 4.241 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000375840226 337020917 /nfs/dbraw/zinc/02/09/17/337020917.db2.gz OOSNXIHAUMSWRL-ROUUACIJSA-N 2 2 323.484 4.266 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1csc(Cl)c1)CCC2 ZINC000376995236 337044829 /nfs/dbraw/zinc/04/48/29/337044829.db2.gz OHTXPHYRIVEOJW-RYUDHWBXSA-N 2 2 309.866 4.135 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000377550180 337054837 /nfs/dbraw/zinc/05/48/37/337054837.db2.gz ODKVGIUHJRGBDZ-NRFANRHFSA-N 2 2 317.436 4.097 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000377550181 337054935 /nfs/dbraw/zinc/05/49/35/337054935.db2.gz ODKVGIUHJRGBDZ-OAQYLSRUSA-N 2 2 317.436 4.097 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000377657927 337057620 /nfs/dbraw/zinc/05/76/20/337057620.db2.gz ISELRKZHSMYIJM-UHFFFAOYSA-N 2 2 317.436 4.174 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)CCC2 ZINC000377838306 337062374 /nfs/dbraw/zinc/06/23/74/337062374.db2.gz XNHOQBNYRAQDDH-LBPRGKRZSA-N 2 2 324.255 4.166 20 0 DIADLP Cc1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000377865834 337062821 /nfs/dbraw/zinc/06/28/21/337062821.db2.gz VAHCIEQGRIECSW-RTWAWAEBSA-N 2 2 317.436 4.210 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000177932659 337159126 /nfs/dbraw/zinc/15/91/26/337159126.db2.gz QMUVGRKHNGIRPC-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000177932647 337159181 /nfs/dbraw/zinc/15/91/81/337159181.db2.gz QMUVGRKHNGIRPC-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000177936103 337159313 /nfs/dbraw/zinc/15/93/13/337159313.db2.gz LIKYPIQKUKENPI-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP c1[nH]c(C[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000178957266 337166608 /nfs/dbraw/zinc/16/66/08/337166608.db2.gz HUVTYOVBNPCROP-LEWJYISDSA-N 2 2 317.436 4.361 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1F ZINC000180092372 337173640 /nfs/dbraw/zinc/17/36/40/337173640.db2.gz NTMYURAJQMAQTN-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106294 337198792 /nfs/dbraw/zinc/19/87/92/337198792.db2.gz IXKGSZIKSDRONL-UZLBHIALSA-N 2 2 306.453 4.241 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000321106294 337198793 /nfs/dbraw/zinc/19/87/93/337198793.db2.gz IXKGSZIKSDRONL-UZLBHIALSA-N 2 2 306.453 4.241 20 0 DIADLP CCSc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000186267772 337255471 /nfs/dbraw/zinc/25/54/71/337255471.db2.gz HATRBAMPRWNJTE-CRAIPNDOSA-N 2 2 315.486 4.078 20 0 DIADLP CCSc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000186267772 337255472 /nfs/dbraw/zinc/25/54/72/337255472.db2.gz HATRBAMPRWNJTE-CRAIPNDOSA-N 2 2 315.486 4.078 20 0 DIADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000321938763 337305927 /nfs/dbraw/zinc/30/59/27/337305927.db2.gz MCFUUSDBCOWGSG-RBUKOAKNSA-N 2 2 310.441 4.084 20 0 DIADLP CCc1[nH+]c2ccccc2n1C1CCN(c2cc[nH+]cc2C)CC1 ZINC000192740416 337307339 /nfs/dbraw/zinc/30/73/39/337307339.db2.gz ZUGUJEWKXGUWNR-UHFFFAOYSA-N 2 2 320.440 4.144 20 0 DIADLP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000583877817 337369066 /nfs/dbraw/zinc/36/90/66/337369066.db2.gz ZEKGIMOTGCDJMU-AEFFLSMTSA-N 2 2 309.457 4.013 20 0 DIADLP Fc1cc(C[NH2+]Cc2cccc(C3CC3)c2)ccc1-n1cc[nH+]c1 ZINC000421325868 337526510 /nfs/dbraw/zinc/52/65/10/337526510.db2.gz MJFSMTYGHLDDNP-UHFFFAOYSA-N 2 2 321.399 4.179 20 0 DIADLP CCOc1ccccc1[C@@H](CC)[NH2+]CCCc1c[nH+]ccc1C ZINC000572165562 337594577 /nfs/dbraw/zinc/59/45/77/337594577.db2.gz IFURQYZXJQQQNK-LJQANCHMSA-N 2 2 312.457 4.462 20 0 DIADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422758223 337685281 /nfs/dbraw/zinc/68/52/81/337685281.db2.gz IMZNSALBHIWNCP-FGTMMUONSA-N 2 2 302.368 4.150 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cc2cccc(F)c2o1 ZINC000423070408 337698288 /nfs/dbraw/zinc/69/82/88/337698288.db2.gz NGJXMUIYHZCOTH-GOPGUHFVSA-N 2 2 310.372 4.367 20 0 DIADLP [NH3+][C@@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)c1ccccc1 ZINC000423254269 337707657 /nfs/dbraw/zinc/70/76/57/337707657.db2.gz ZSNMUHOVRREUAG-FUHWJXTLSA-N 2 2 300.471 4.269 20 0 DIADLP CCC([NH3+])(CC)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423283301 337709318 /nfs/dbraw/zinc/70/93/18/337709318.db2.gz FFJDJLTUMPRRDI-IBGZPJMESA-N 2 2 323.440 4.024 20 0 DIADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423296130 337710895 /nfs/dbraw/zinc/71/08/95/337710895.db2.gz GFIFFZVZRGFHRP-HOTGVXAUSA-N 2 2 313.445 4.042 20 0 DIADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1nccc2ccccc21 ZINC000423270101 337712004 /nfs/dbraw/zinc/71/20/04/337712004.db2.gz GATJBCXZKCIGGR-INIZCTEOSA-N 2 2 311.473 4.198 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC[NH2+]1 ZINC000423378100 337717518 /nfs/dbraw/zinc/71/75/18/337717518.db2.gz MFGSWYAYFILZPC-YWVKMMECSA-N 2 2 319.301 4.162 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000527863312 337766071 /nfs/dbraw/zinc/76/60/71/337766071.db2.gz JGNUTHSUBQKPFO-MOPGFXCFSA-N 2 2 311.473 4.070 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C1CCC1)C1CCCCC1)CCC2 ZINC000424316887 337819844 /nfs/dbraw/zinc/81/98/44/337819844.db2.gz QNTDISYFCDMDJF-MOPGFXCFSA-N 2 2 315.505 4.408 20 0 DIADLP Cc1ccc2cc[nH+]c(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000514724236 337969409 /nfs/dbraw/zinc/96/94/09/337969409.db2.gz GXZSBHBDVZBIAI-UHFFFAOYSA-N 2 2 318.424 4.019 20 0 DIADLP Cc1cccc2c1cc[nH+]c2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000516177683 338005927 /nfs/dbraw/zinc/00/59/27/338005927.db2.gz XAAWAAYJQZAAEO-UHFFFAOYSA-N 2 2 318.424 4.151 20 0 DIADLP Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528794 338034001 /nfs/dbraw/zinc/03/40/01/338034001.db2.gz HFYUMOYGNHGVHO-WMZOPIPTSA-N 2 2 305.425 4.021 20 0 DIADLP Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000426528794 338034002 /nfs/dbraw/zinc/03/40/02/338034002.db2.gz HFYUMOYGNHGVHO-WMZOPIPTSA-N 2 2 305.425 4.021 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429016230 338068875 /nfs/dbraw/zinc/06/88/75/338068875.db2.gz BHFSFNLSMWSGLL-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429016230 338068876 /nfs/dbraw/zinc/06/88/76/338068876.db2.gz BHFSFNLSMWSGLL-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429016230 338068877 /nfs/dbraw/zinc/06/88/77/338068877.db2.gz BHFSFNLSMWSGLL-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429016230 338068878 /nfs/dbraw/zinc/06/88/78/338068878.db2.gz BHFSFNLSMWSGLL-MLGOLLRUSA-N 2 2 313.272 4.082 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429537642 338083300 /nfs/dbraw/zinc/08/33/00/338083300.db2.gz QTJURSWHZKAJJF-OCCSQVGLSA-N 2 2 315.288 4.471 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429537642 338083301 /nfs/dbraw/zinc/08/33/01/338083301.db2.gz QTJURSWHZKAJJF-OCCSQVGLSA-N 2 2 315.288 4.471 20 0 DIADLP Cc1cccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1C ZINC000430105542 338096873 /nfs/dbraw/zinc/09/68/73/338096873.db2.gz WSFFNXKCEQYCBG-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1cccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1C ZINC000430105542 338096874 /nfs/dbraw/zinc/09/68/74/338096874.db2.gz WSFFNXKCEQYCBG-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000430699444 338111616 /nfs/dbraw/zinc/11/16/16/338111616.db2.gz PTSHUJJPBWMYEZ-DBVUQKKJSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H](CCSc1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000431595505 338134264 /nfs/dbraw/zinc/13/42/64/338134264.db2.gz JTTHSWDMPHOKOM-OAHLLOKOSA-N 2 2 315.486 4.160 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432227845 338149097 /nfs/dbraw/zinc/14/90/97/338149097.db2.gz GGLDTQWAAVCFFT-UHFFFAOYSA-N 2 2 321.317 4.265 20 0 DIADLP Clc1scc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1Cl ZINC000432235299 338149507 /nfs/dbraw/zinc/14/95/07/338149507.db2.gz ZQPARZSSLKYZJR-UHFFFAOYSA-N 2 2 319.301 4.019 20 0 DIADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432248929 338150758 /nfs/dbraw/zinc/15/07/58/338150758.db2.gz ANXJZLCBQCPSMB-QWRGUYRKSA-N 2 2 307.290 4.017 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000448523457 338152456 /nfs/dbraw/zinc/15/24/56/338152456.db2.gz ZIYIVLUSPSCYHX-QZTJIDSGSA-N 2 2 316.832 4.339 20 0 DIADLP Clc1scc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000432743468 338165582 /nfs/dbraw/zinc/16/55/82/338165582.db2.gz VNCJKGBVRNSXRM-VIFPVBQESA-N 2 2 316.257 4.158 20 0 DIADLP Clc1scc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000432743468 338165583 /nfs/dbraw/zinc/16/55/83/338165583.db2.gz VNCJKGBVRNSXRM-VIFPVBQESA-N 2 2 316.257 4.158 20 0 DIADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000432785297 338167552 /nfs/dbraw/zinc/16/75/52/338167552.db2.gz KSVXCTQBNQAQTP-CYBMUJFWSA-N 2 2 306.837 4.002 20 0 DIADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000432785297 338167553 /nfs/dbraw/zinc/16/75/53/338167553.db2.gz KSVXCTQBNQAQTP-CYBMUJFWSA-N 2 2 306.837 4.002 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418641 338204556 /nfs/dbraw/zinc/20/45/56/338204556.db2.gz NXBOLTLTGKMYAV-NXEZZACHSA-N 2 2 319.301 4.190 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000152418641 338204557 /nfs/dbraw/zinc/20/45/57/338204557.db2.gz NXBOLTLTGKMYAV-NXEZZACHSA-N 2 2 319.301 4.190 20 0 DIADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000434764833 338225252 /nfs/dbraw/zinc/22/52/52/338225252.db2.gz JZFFSVRKIHENQL-HNAYVOBHSA-N 2 2 318.480 4.204 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000437702619 338318827 /nfs/dbraw/zinc/31/88/27/338318827.db2.gz SOVFUCFEAVPYTF-ACRUOGEOSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000437702619 338318828 /nfs/dbraw/zinc/31/88/28/338318828.db2.gz SOVFUCFEAVPYTF-ACRUOGEOSA-N 2 2 312.501 4.057 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000438176322 338334956 /nfs/dbraw/zinc/33/49/56/338334956.db2.gz QVBNGXLQUXUMQN-HZPDHXFCSA-N 2 2 323.415 4.293 20 0 DIADLP C[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000438195734 338336092 /nfs/dbraw/zinc/33/60/92/338336092.db2.gz DOJUGKHWMUAOGG-JKSUJKDBSA-N 2 2 323.415 4.466 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000438195731 338336177 /nfs/dbraw/zinc/33/61/77/338336177.db2.gz DOJUGKHWMUAOGG-HOTGVXAUSA-N 2 2 323.415 4.466 20 0 DIADLP Fc1cc(Cl)ccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000438199306 338336351 /nfs/dbraw/zinc/33/63/51/338336351.db2.gz HKIVXEPMLALNOS-UHFFFAOYSA-N 2 2 317.795 4.078 20 0 DIADLP CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438487617 338345903 /nfs/dbraw/zinc/34/59/03/338345903.db2.gz TUXPFYTVQXOGNB-ZDUSSCGKSA-N 2 2 317.380 4.000 20 0 DIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2ccccc2s1 ZINC000446930884 338540879 /nfs/dbraw/zinc/54/08/79/338540879.db2.gz PCXNITPKMIXHBF-AWEZNQCLSA-N 2 2 311.454 4.449 20 0 DIADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000453119120 338796008 /nfs/dbraw/zinc/79/60/08/338796008.db2.gz LQVGXPGFBXSHEZ-BEFAXECRSA-N 2 2 306.413 4.069 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373366 339025286 /nfs/dbraw/zinc/02/52/86/339025286.db2.gz RZTBAPFVRFALSJ-BFYDXBDKSA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373366 339025287 /nfs/dbraw/zinc/02/52/87/339025287.db2.gz RZTBAPFVRFALSJ-BFYDXBDKSA-N 2 2 314.464 4.149 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459744308 339045795 /nfs/dbraw/zinc/04/57/95/339045795.db2.gz HOAUQFJPWGIVNT-MRXNPFEDSA-N 2 2 300.421 4.025 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459744308 339045796 /nfs/dbraw/zinc/04/57/96/339045796.db2.gz HOAUQFJPWGIVNT-MRXNPFEDSA-N 2 2 300.421 4.025 20 0 DIADLP Cc1ccc2c(C)cc(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)[nH+]c2c1 ZINC000460954039 339055889 /nfs/dbraw/zinc/05/58/89/339055889.db2.gz BFRURUSAKGBFSO-HNAYVOBHSA-N 2 2 320.440 4.136 20 0 DIADLP Cc1ccc2c(C)cc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)[nH+]c2c1 ZINC000460954031 339055915 /nfs/dbraw/zinc/05/59/15/339055915.db2.gz BFRURUSAKGBFSO-BEFAXECRSA-N 2 2 320.440 4.136 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CCCC[C@H]3c3ccccc3)c[nH+]c12 ZINC000462354708 339076430 /nfs/dbraw/zinc/07/64/30/339076430.db2.gz BBHMCPHALNBJGI-PMACEKPBSA-N 2 2 319.452 4.459 20 0 DIADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000462505048 339080311 /nfs/dbraw/zinc/08/03/11/339080311.db2.gz BKVROFBUWMVJRN-KSSFIOAISA-N 2 2 320.440 4.136 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3c4ccccc4CCC[C@H]3C)c[nH+]c12 ZINC000462550428 339081265 /nfs/dbraw/zinc/08/12/65/339081265.db2.gz XMWYNCCAMBAPBY-QRWLVFNGSA-N 2 2 319.452 4.446 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000462663127 339083704 /nfs/dbraw/zinc/08/37/04/339083704.db2.gz ZGRHTEXVJCZZIO-BRWVUGGUSA-N 2 2 306.519 4.443 20 0 DIADLP Cc1cccn2c(C[NH2+]C[C@@H](c3ccccc3)C(C)C)c[nH+]c12 ZINC000462672005 339083820 /nfs/dbraw/zinc/08/38/20/339083820.db2.gz DPALYBHOWDQCFN-LJQANCHMSA-N 2 2 307.441 4.172 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000462911757 339097569 /nfs/dbraw/zinc/09/75/69/339097569.db2.gz MAVDICSYNPZCEB-UHFFFAOYSA-N 2 2 302.849 4.117 20 0 DIADLP c1c[nH+]c([C@@H](Nc2cc3c(c[nH+]2)CCCC3)C2CCCCC2)[nH]1 ZINC000462969723 339099301 /nfs/dbraw/zinc/09/93/01/339099301.db2.gz VMWXNWGZYCQTAJ-SFHVURJKSA-N 2 2 310.445 4.417 20 0 DIADLP COC1(C[C@H](C)[NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)CCC1 ZINC000463027854 339101369 /nfs/dbraw/zinc/10/13/69/339101369.db2.gz JHSVXWJJWZPWFD-AWEZNQCLSA-N 2 2 313.445 4.249 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)C3CCSCC3)cc2)c1C ZINC000463041237 339102738 /nfs/dbraw/zinc/10/27/38/339102738.db2.gz GSPQNSUSZHPBIY-AWEZNQCLSA-N 2 2 315.486 4.433 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](CC(F)F)C(C)C ZINC000463097620 339105598 /nfs/dbraw/zinc/10/55/98/339105598.db2.gz HJEXKOZMNPTLDN-UHFFFAOYSA-N 2 2 323.431 4.491 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](CC(F)F)C(C)C ZINC000463097620 339105599 /nfs/dbraw/zinc/10/55/99/339105599.db2.gz HJEXKOZMNPTLDN-UHFFFAOYSA-N 2 2 323.431 4.491 20 0 DIADLP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463113515 339106159 /nfs/dbraw/zinc/10/61/59/339106159.db2.gz YUVIEYHLHHUHCZ-HOCLYGCPSA-N 2 2 320.443 4.208 20 0 DIADLP CC(C)C1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000463206542 339109346 /nfs/dbraw/zinc/10/93/46/339109346.db2.gz PWWTZZXCSGRXIH-UHFFFAOYSA-N 2 2 320.908 4.330 20 0 DIADLP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000463278038 339113036 /nfs/dbraw/zinc/11/30/36/339113036.db2.gz UTBJNOOTXUUYJW-WMLDXEAASA-N 2 2 306.881 4.083 20 0 DIADLP c1cn(-c2csc(C[NH2+]CCC3=CCCCCC3)c2)c[nH+]1 ZINC000463700175 339124047 /nfs/dbraw/zinc/12/40/47/339124047.db2.gz UXXHFFFDSZYEFG-UHFFFAOYSA-N 2 2 301.459 4.304 20 0 DIADLP Cc1oc2ccccc2c1CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000463702991 339124184 /nfs/dbraw/zinc/12/41/84/339124184.db2.gz GUKLOTKRSYDRGQ-UHFFFAOYSA-N 2 2 319.408 4.030 20 0 DIADLP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000464073785 339133229 /nfs/dbraw/zinc/13/32/29/339133229.db2.gz JMRVWXRXDFVITH-MSOLQXFVSA-N 2 2 309.457 4.056 20 0 DIADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788741 339154008 /nfs/dbraw/zinc/15/40/08/339154008.db2.gz LJNVKRVNMBIAPQ-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788741 339154009 /nfs/dbraw/zinc/15/40/09/339154009.db2.gz LJNVKRVNMBIAPQ-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788741 339154010 /nfs/dbraw/zinc/15/40/10/339154010.db2.gz LJNVKRVNMBIAPQ-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000464788741 339154011 /nfs/dbraw/zinc/15/40/11/339154011.db2.gz LJNVKRVNMBIAPQ-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000467546851 339241869 /nfs/dbraw/zinc/24/18/69/339241869.db2.gz CKXZZHCHSQXVEM-OAHLLOKOSA-N 2 2 300.471 4.395 20 0 DIADLP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000467550616 339242057 /nfs/dbraw/zinc/24/20/57/339242057.db2.gz LXARIXHXCHMAQJ-FUHWJXTLSA-N 2 2 305.425 4.102 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000468509870 339264908 /nfs/dbraw/zinc/26/49/08/339264908.db2.gz BLVDVSFOMAAWPN-CRAIPNDOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468509870 339264909 /nfs/dbraw/zinc/26/49/09/339264909.db2.gz BLVDVSFOMAAWPN-CRAIPNDOSA-N 2 2 322.443 4.065 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000468553512 339266116 /nfs/dbraw/zinc/26/61/16/339266116.db2.gz KPYFAVFGHXARJG-MJGOQNOKSA-N 2 2 324.553 4.070 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468554440 339266190 /nfs/dbraw/zinc/26/61/90/339266190.db2.gz OFNMJGWGQMVCEL-BPQIPLTHSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468554440 339266191 /nfs/dbraw/zinc/26/61/91/339266191.db2.gz OFNMJGWGQMVCEL-BPQIPLTHSA-N 2 2 322.443 4.065 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000469776269 339298981 /nfs/dbraw/zinc/29/89/81/339298981.db2.gz POAKBJCPODWQCG-OWCLPIDISA-N 2 2 323.550 4.285 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000469776269 339298982 /nfs/dbraw/zinc/29/89/82/339298982.db2.gz POAKBJCPODWQCG-OWCLPIDISA-N 2 2 323.550 4.285 20 0 DIADLP Cc1ccc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000469788191 339300032 /nfs/dbraw/zinc/30/00/32/339300032.db2.gz SYTAADYCWHDOOZ-KRWDZBQOSA-N 2 2 305.425 4.074 20 0 DIADLP C[C@@H](C[NH2+]CCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000470198760 339313864 /nfs/dbraw/zinc/31/38/64/339313864.db2.gz UUCIWMQQUSPYQX-HNNXBMFYSA-N 2 2 317.864 4.320 20 0 DIADLP C[C@H](C[NH2+]CCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000470198763 339313875 /nfs/dbraw/zinc/31/38/75/339313875.db2.gz UUCIWMQQUSPYQX-OAHLLOKOSA-N 2 2 317.864 4.320 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@@H](c1ccccc1)[NH+](C)C ZINC000471576252 339347810 /nfs/dbraw/zinc/34/78/10/339347810.db2.gz AMLIHOBFQAGEHS-KPOBHBOGSA-N 2 2 312.432 4.094 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000471597143 339348819 /nfs/dbraw/zinc/34/88/19/339348819.db2.gz CLDAQHYTOLZGLX-PNHOKKKMSA-N 2 2 312.432 4.094 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000471610147 339349337 /nfs/dbraw/zinc/34/93/37/339349337.db2.gz LYWFYQLMGKGGSG-FTRWYGJKSA-N 2 2 312.457 4.037 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471611407 339349534 /nfs/dbraw/zinc/34/95/34/339349534.db2.gz QFEAICSHOKUJTO-TWOQFEAHSA-N 2 2 312.457 4.037 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471618718 339349763 /nfs/dbraw/zinc/34/97/63/339349763.db2.gz LLPHHWHOHREIPY-KHYOSLBOSA-N 2 2 300.421 4.168 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471618977 339349799 /nfs/dbraw/zinc/34/97/99/339349799.db2.gz LLPHHWHOHREIPY-QMTMVMCOSA-N 2 2 300.421 4.168 20 0 DIADLP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000472078839 339362779 /nfs/dbraw/zinc/36/27/79/339362779.db2.gz QQLGKXWQIUDBMH-KJOHCHSBSA-N 2 2 312.432 4.120 20 0 DIADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000472576779 339374188 /nfs/dbraw/zinc/37/41/88/339374188.db2.gz IBEWKMJAGQQDKQ-OAHLLOKOSA-N 2 2 311.539 4.300 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000472576779 339374189 /nfs/dbraw/zinc/37/41/89/339374189.db2.gz IBEWKMJAGQQDKQ-OAHLLOKOSA-N 2 2 311.539 4.300 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000474030954 339397821 /nfs/dbraw/zinc/39/78/21/339397821.db2.gz GWRNPSYNUQFQDY-QAPCUYQASA-N 2 2 324.459 4.401 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474041945 339398598 /nfs/dbraw/zinc/39/85/98/339398598.db2.gz WUJWNXYLXNEGLL-DAYGRLMNSA-N 2 2 324.459 4.481 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000474155880 339404754 /nfs/dbraw/zinc/40/47/54/339404754.db2.gz DIQRRZRUZCXTEK-IBGZPJMESA-N 2 2 311.473 4.419 20 0 DIADLP COc1cccc(C2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)c1 ZINC000474280790 339408408 /nfs/dbraw/zinc/40/84/08/339408408.db2.gz YUYIZSOUHHRYCH-UHFFFAOYSA-N 2 2 324.468 4.211 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](CC(C)C)C1)CCC2 ZINC000474811369 339427534 /nfs/dbraw/zinc/42/75/34/339427534.db2.gz RABXYKZKAKRZGT-SQNIBIBYSA-N 2 2 303.494 4.263 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c[nH+]1 ZINC000474811723 339427539 /nfs/dbraw/zinc/42/75/39/339427539.db2.gz AEUGTVXRUZCFEH-SFHVURJKSA-N 2 2 323.484 4.274 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](c4ccc(F)cc4)C3)c[nH+]c12 ZINC000475349315 339448559 /nfs/dbraw/zinc/44/85/59/339448559.db2.gz WLZBNRADQXLYDX-FUHWJXTLSA-N 2 2 323.415 4.208 20 0 DIADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000475513045 339453564 /nfs/dbraw/zinc/45/35/64/339453564.db2.gz QEEQBBSGYFXARC-UHFFFAOYSA-N 2 2 323.415 4.321 20 0 DIADLP Cc1ccc2cc([C@@H](C)[NH2+]C3CC([NH+]4CCCCC4)C3)oc2c1 ZINC000479509551 339538582 /nfs/dbraw/zinc/53/85/82/339538582.db2.gz JQPVLWSZFCJBIH-FAEJEUNOSA-N 2 2 312.457 4.409 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479553092 339540770 /nfs/dbraw/zinc/54/07/70/339540770.db2.gz PCAOZKDRYXGSPZ-GTPINHCMSA-N 2 2 318.530 4.466 20 0 DIADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(F)c1 ZINC000479853361 339550678 /nfs/dbraw/zinc/55/06/78/339550678.db2.gz SIROFZMHMPOLTN-RHSMWYFYSA-N 2 2 318.461 4.375 20 0 DIADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000481398863 339603227 /nfs/dbraw/zinc/60/32/27/339603227.db2.gz FVGWSEMCWZYSRA-KRWDZBQOSA-N 2 2 305.425 4.081 20 0 DIADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000481401087 339603367 /nfs/dbraw/zinc/60/33/67/339603367.db2.gz IGASEUORSKJECQ-RBZFPXEDSA-N 2 2 323.415 4.158 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c[nH+]1 ZINC000482461747 339632554 /nfs/dbraw/zinc/63/25/54/339632554.db2.gz TVDGFZIVQPOYFO-QZTJIDSGSA-N 2 2 312.432 4.388 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000482953040 339648225 /nfs/dbraw/zinc/64/82/25/339648225.db2.gz RTIDXRPDHIVXLH-CVEARBPZSA-N 2 2 300.446 4.368 20 0 DIADLP FC1(F)CCCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000491597273 339868374 /nfs/dbraw/zinc/86/83/74/339868374.db2.gz SVKPQNIBAVBTBJ-INIZCTEOSA-N 2 2 319.399 4.178 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000500375755 340055948 /nfs/dbraw/zinc/05/59/48/340055948.db2.gz JCJHNRWXWPTBDE-RYRKJORJSA-N 2 2 322.443 4.237 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000500375755 340055949 /nfs/dbraw/zinc/05/59/49/340055949.db2.gz JCJHNRWXWPTBDE-RYRKJORJSA-N 2 2 322.443 4.237 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440696 340058758 /nfs/dbraw/zinc/05/87/58/340058758.db2.gz NIDSJLPFQMSDJQ-YJBOKZPZSA-N 2 2 322.443 4.237 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000500440696 340058759 /nfs/dbraw/zinc/05/87/59/340058759.db2.gz NIDSJLPFQMSDJQ-YJBOKZPZSA-N 2 2 322.443 4.237 20 0 DIADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccn1 ZINC000500618234 340063838 /nfs/dbraw/zinc/06/38/38/340063838.db2.gz NXHVCGCQASUNTH-PMACEKPBSA-N 2 2 323.484 4.177 20 0 DIADLP Clc1ccc2c(NCCc3[nH]c4ccccc4[nH+]3)cc[nH+]c2c1 ZINC000501878952 340090193 /nfs/dbraw/zinc/09/01/93/340090193.db2.gz FUOVSIBYMVWBQS-UHFFFAOYSA-N 2 2 322.799 4.419 20 0 DIADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000502307856 340099375 /nfs/dbraw/zinc/09/93/75/340099375.db2.gz FGLOLHPCXLWXCL-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000502307856 340099376 /nfs/dbraw/zinc/09/93/76/340099376.db2.gz FGLOLHPCXLWXCL-LJQANCHMSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320863 340099696 /nfs/dbraw/zinc/09/96/96/340099696.db2.gz NDJGXQCXCZUUEL-GOSISDBHSA-N 2 2 323.484 4.216 20 0 DIADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502320863 340099697 /nfs/dbraw/zinc/09/96/97/340099697.db2.gz NDJGXQCXCZUUEL-GOSISDBHSA-N 2 2 323.484 4.216 20 0 DIADLP CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502348285 340100454 /nfs/dbraw/zinc/10/04/54/340100454.db2.gz ZSJJYAHOAVOKCL-IBGZPJMESA-N 2 2 323.484 4.161 20 0 DIADLP CCc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502348285 340100455 /nfs/dbraw/zinc/10/04/55/340100455.db2.gz ZSJJYAHOAVOKCL-IBGZPJMESA-N 2 2 323.484 4.161 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC12CCC2)c1cccc(OC)c1 ZINC000502701477 340111494 /nfs/dbraw/zinc/11/14/94/340111494.db2.gz VJWNPRDFKGRBEK-MOPGFXCFSA-N 2 2 316.489 4.000 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063486 340120055 /nfs/dbraw/zinc/12/00/55/340120055.db2.gz MVUHJHPGPQHIGX-BLLLJJGKSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063486 340120056 /nfs/dbraw/zinc/12/00/56/340120056.db2.gz MVUHJHPGPQHIGX-BLLLJJGKSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000503077571 340120224 /nfs/dbraw/zinc/12/02/24/340120224.db2.gz ZZNDXPLUFDWNDT-MLGOLLRUSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000503077571 340120225 /nfs/dbraw/zinc/12/02/25/340120225.db2.gz ZZNDXPLUFDWNDT-MLGOLLRUSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000503077572 340120511 /nfs/dbraw/zinc/12/05/11/340120511.db2.gz ZZNDXPLUFDWNDT-WBMJQRKESA-N 2 2 324.255 4.273 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000503077572 340120512 /nfs/dbraw/zinc/12/05/12/340120512.db2.gz ZZNDXPLUFDWNDT-WBMJQRKESA-N 2 2 324.255 4.273 20 0 DIADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503089721 340120815 /nfs/dbraw/zinc/12/08/15/340120815.db2.gz YMQXFVMZNJBEQN-LAUBAEHRSA-N 2 2 319.452 4.428 20 0 DIADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503089721 340120816 /nfs/dbraw/zinc/12/08/16/340120816.db2.gz YMQXFVMZNJBEQN-LAUBAEHRSA-N 2 2 319.452 4.428 20 0 DIADLP CCc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408885 340127580 /nfs/dbraw/zinc/12/75/80/340127580.db2.gz SAMVQXDQIJVNKQ-IBGZPJMESA-N 2 2 323.484 4.161 20 0 DIADLP CCc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408885 340127581 /nfs/dbraw/zinc/12/75/81/340127581.db2.gz SAMVQXDQIJVNKQ-IBGZPJMESA-N 2 2 323.484 4.161 20 0 DIADLP CC(C)(C)CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413163 340127652 /nfs/dbraw/zinc/12/76/52/340127652.db2.gz XIOKYLHBZULFIV-INIZCTEOSA-N 2 2 303.494 4.225 20 0 DIADLP CC(C)(C)CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413163 340127653 /nfs/dbraw/zinc/12/76/53/340127653.db2.gz XIOKYLHBZULFIV-INIZCTEOSA-N 2 2 303.494 4.225 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000503597871 340132139 /nfs/dbraw/zinc/13/21/39/340132139.db2.gz LYKAAOYOMVSRKU-UHFFFAOYSA-N 2 2 324.553 4.070 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000506645701 340198466 /nfs/dbraw/zinc/19/84/66/340198466.db2.gz KVKMOYKRFJZVCQ-UHFFFAOYSA-N 2 2 312.457 4.171 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000506645701 340198467 /nfs/dbraw/zinc/19/84/67/340198467.db2.gz KVKMOYKRFJZVCQ-UHFFFAOYSA-N 2 2 312.457 4.171 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2c(Cl)oc3ccccc32)CC1 ZINC000506689498 340199609 /nfs/dbraw/zinc/19/96/09/340199609.db2.gz LWSVLPVGPKDJNQ-UHFFFAOYSA-N 2 2 306.837 4.002 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2c(Cl)oc3ccccc32)CC1 ZINC000506689498 340199610 /nfs/dbraw/zinc/19/96/10/340199610.db2.gz LWSVLPVGPKDJNQ-UHFFFAOYSA-N 2 2 306.837 4.002 20 0 DIADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000508666423 340250159 /nfs/dbraw/zinc/25/01/59/340250159.db2.gz ZHBZKFNKTBWERI-BEFAXECRSA-N 2 2 320.908 4.473 20 0 DIADLP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000302830439 340283179 /nfs/dbraw/zinc/28/31/79/340283179.db2.gz ZYCUJJMMHNDWCA-SFHVURJKSA-N 2 2 322.477 4.265 20 0 DIADLP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000302830439 340283180 /nfs/dbraw/zinc/28/31/80/340283180.db2.gz ZYCUJJMMHNDWCA-SFHVURJKSA-N 2 2 322.477 4.265 20 0 DIADLP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000302830435 340283220 /nfs/dbraw/zinc/28/32/20/340283220.db2.gz ZYCUJJMMHNDWCA-GOSISDBHSA-N 2 2 322.477 4.265 20 0 DIADLP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000302830435 340283221 /nfs/dbraw/zinc/28/32/21/340283221.db2.gz ZYCUJJMMHNDWCA-GOSISDBHSA-N 2 2 322.477 4.265 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000510396287 340297868 /nfs/dbraw/zinc/29/78/68/340297868.db2.gz SVCJSVDYTKTCJH-ZVXZJYCBSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000510396287 340297869 /nfs/dbraw/zinc/29/78/69/340297869.db2.gz SVCJSVDYTKTCJH-ZVXZJYCBSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000510396287 340297870 /nfs/dbraw/zinc/29/78/70/340297870.db2.gz SVCJSVDYTKTCJH-ZVXZJYCBSA-N 2 2 312.501 4.127 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000510396287 340297871 /nfs/dbraw/zinc/29/78/71/340297871.db2.gz SVCJSVDYTKTCJH-ZVXZJYCBSA-N 2 2 312.501 4.127 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)[nH]1 ZINC000510539180 340302168 /nfs/dbraw/zinc/30/21/68/340302168.db2.gz PKLZYEWWZOIUHN-HXUWFJFHSA-N 2 2 317.436 4.456 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)[nH]1 ZINC000510539180 340302169 /nfs/dbraw/zinc/30/21/69/340302169.db2.gz PKLZYEWWZOIUHN-HXUWFJFHSA-N 2 2 317.436 4.456 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196197 340351921 /nfs/dbraw/zinc/35/19/21/340351921.db2.gz NMQNKPOMYSLSOV-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(F)ccc2F)C1 ZINC000512196197 340351922 /nfs/dbraw/zinc/35/19/22/340351922.db2.gz NMQNKPOMYSLSOV-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000512196197 340351923 /nfs/dbraw/zinc/35/19/23/340351923.db2.gz NMQNKPOMYSLSOV-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000512196197 340351924 /nfs/dbraw/zinc/35/19/24/340351924.db2.gz NMQNKPOMYSLSOV-CVEARBPZSA-N 2 2 322.443 4.051 20 0 DIADLP FC1(F)CCC[C@@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000304170934 340361281 /nfs/dbraw/zinc/36/12/81/340361281.db2.gz HEERRIVARFMLQO-MSOLQXFVSA-N 2 2 322.443 4.066 20 0 DIADLP FC1(F)CCC[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000304170934 340361282 /nfs/dbraw/zinc/36/12/82/340361282.db2.gz HEERRIVARFMLQO-MSOLQXFVSA-N 2 2 322.443 4.066 20 0 DIADLP CCCCCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000513067354 340391896 /nfs/dbraw/zinc/39/18/96/340391896.db2.gz DTDOLJBGZYLACC-UHFFFAOYSA-N 2 2 318.505 4.218 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000513071070 340392011 /nfs/dbraw/zinc/39/20/11/340392011.db2.gz UWVFATSWQSCDQI-UHFFFAOYSA-N 2 2 318.892 4.083 20 0 DIADLP CC[C@H](C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088130 340392680 /nfs/dbraw/zinc/39/26/80/340392680.db2.gz FDEWRRSCJDOCDB-QUCCMNQESA-N 2 2 300.490 4.131 20 0 DIADLP CC[C@H](C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000513088130 340392681 /nfs/dbraw/zinc/39/26/81/340392681.db2.gz FDEWRRSCJDOCDB-QUCCMNQESA-N 2 2 300.490 4.131 20 0 DIADLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000513233785 340398703 /nfs/dbraw/zinc/39/87/03/340398703.db2.gz OOVVZXVISFNZFU-KRWDZBQOSA-N 2 2 308.897 4.473 20 0 DIADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1ccsc1 ZINC000178066178 340446649 /nfs/dbraw/zinc/44/66/49/340446649.db2.gz ZBJYZJQIWSJXHW-ZFWWWQNUSA-N 2 2 306.500 4.297 20 0 DIADLP Clc1ccsc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000193069450 340572009 /nfs/dbraw/zinc/57/20/09/340572009.db2.gz YCBMURNGBSJUJD-UHFFFAOYSA-N 2 2 312.910 4.146 20 0 DIADLP Fc1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000523107162 340615674 /nfs/dbraw/zinc/61/56/74/340615674.db2.gz LOGXGPUAYDRSDI-UHFFFAOYSA-N 2 2 316.420 4.051 20 0 DIADLP c1ccc([C@@H](C[NH2+]C2CC(c3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000236665849 340663567 /nfs/dbraw/zinc/66/35/67/340663567.db2.gz GZZKYRUCWVMIGU-LZBANZJXSA-N 2 2 320.480 4.359 20 0 DIADLP C[NH+](C)[C@H](C[NH2+]Cc1csc2ccccc12)c1ccccc1 ZINC000315772598 340676815 /nfs/dbraw/zinc/67/68/15/340676815.db2.gz VNJJKMIUZVIGGH-GOSISDBHSA-N 2 2 310.466 4.294 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000397515500 340712731 /nfs/dbraw/zinc/71/27/31/340712731.db2.gz ABNJGHTVRZCOCH-UHFFFAOYSA-N 2 2 302.421 4.312 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530218545 340782864 /nfs/dbraw/zinc/78/28/64/340782864.db2.gz WUUIOMJLPOZDLF-GUYCJALGSA-N 2 2 322.880 4.062 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000538397756 340821136 /nfs/dbraw/zinc/82/11/36/340821136.db2.gz VMZXIZWBHWKFOW-OAHLLOKOSA-N 2 2 302.384 4.086 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000539500063 340887964 /nfs/dbraw/zinc/88/79/64/340887964.db2.gz PKJBEVXLOUULEZ-CABCVRRESA-N 2 2 311.429 4.239 20 0 DIADLP Fc1ccc(C2=CC[C@@H]([NH2+]CCCCn3cc[nH+]c3)CC2)cc1 ZINC000541853124 340985943 /nfs/dbraw/zinc/98/59/43/340985943.db2.gz IUFNXMHGMFOECD-LJQANCHMSA-N 2 2 313.420 4.028 20 0 DIADLP C[C@H]1CC[N@H+](CCCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000542208778 341000178 /nfs/dbraw/zinc/00/01/78/341000178.db2.gz BLFRFDMFYFJEGO-MAUKXSAKSA-N 2 2 317.864 4.052 20 0 DIADLP C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000542208778 341000179 /nfs/dbraw/zinc/00/01/79/341000179.db2.gz BLFRFDMFYFJEGO-MAUKXSAKSA-N 2 2 317.864 4.052 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000542243650 341001616 /nfs/dbraw/zinc/00/16/16/341001616.db2.gz UTRAWINFGHZMNR-HOTGVXAUSA-N 2 2 323.550 4.257 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](C)CC1CCCCC1)CCC2 ZINC000542722408 341018896 /nfs/dbraw/zinc/01/88/96/341018896.db2.gz DKRMLTOBUYMFQA-YJBOKZPZSA-N 2 2 303.494 4.265 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](C)CC1CCCCC1)CCC2 ZINC000542722400 341018985 /nfs/dbraw/zinc/01/89/85/341018985.db2.gz DKRMLTOBUYMFQA-QAPCUYQASA-N 2 2 303.494 4.265 20 0 DIADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000542845519 341023228 /nfs/dbraw/zinc/02/32/28/341023228.db2.gz AVNJHABTKOOUEO-QGZVFWFLSA-N 2 2 323.843 4.443 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644676 341035996 /nfs/dbraw/zinc/03/59/96/341035996.db2.gz QEKSICHQBSPQGF-SRVKXCTJSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000130644676 341035997 /nfs/dbraw/zinc/03/59/97/341035997.db2.gz QEKSICHQBSPQGF-SRVKXCTJSA-N 2 2 301.261 4.127 20 0 DIADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CCC2)o1 ZINC000544569322 341086216 /nfs/dbraw/zinc/08/62/16/341086216.db2.gz NSMPPHPKCIQVCK-FQEVSTJZSA-N 2 2 321.424 4.405 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000131461697 341090357 /nfs/dbraw/zinc/09/03/57/341090357.db2.gz FNDXGANTMSZLIU-HNNXBMFYSA-N 2 2 317.502 4.193 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000132364796 341121377 /nfs/dbraw/zinc/12/13/77/341121377.db2.gz XLYGEAKICPVLOL-MRXNPFEDSA-N 2 2 312.457 4.157 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000132364986 341121410 /nfs/dbraw/zinc/12/14/10/341121410.db2.gz XLYGEAKICPVLOL-INIZCTEOSA-N 2 2 312.457 4.157 20 0 DIADLP Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000545470979 341126514 /nfs/dbraw/zinc/12/65/14/341126514.db2.gz WBWDVFXHSSBDSM-OAHLLOKOSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1cccc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000545519362 341128295 /nfs/dbraw/zinc/12/82/95/341128295.db2.gz CTIHPGLHJWRLMT-SFHVURJKSA-N 2 2 323.484 4.014 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)Sc1ccccc1 ZINC000564301133 341158820 /nfs/dbraw/zinc/15/88/20/341158820.db2.gz FDOFTANWERIWJD-INIZCTEOSA-N 2 2 300.471 4.093 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000133975998 341203671 /nfs/dbraw/zinc/20/36/71/341203671.db2.gz FSYSAWKSELPZPV-UYAOXDASSA-N 2 2 323.484 4.056 20 0 DIADLP CCC(CC)(C[NH2+]Cc1cccn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000236906227 341204173 /nfs/dbraw/zinc/20/41/73/341204173.db2.gz UVFNDBQGSYQRIZ-KRWDZBQOSA-N 2 2 313.489 4.024 20 0 DIADLP CCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000134196196 341209101 /nfs/dbraw/zinc/20/91/01/341209101.db2.gz JMHNYPQPGTZIDN-INIZCTEOSA-N 2 2 312.457 4.157 20 0 DIADLP C[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136204363 341254819 /nfs/dbraw/zinc/25/48/19/341254819.db2.gz LQTPBLVERRKWIZ-XJKSGUPXSA-N 2 2 312.860 4.108 20 0 DIADLP C[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136204363 341254820 /nfs/dbraw/zinc/25/48/20/341254820.db2.gz LQTPBLVERRKWIZ-XJKSGUPXSA-N 2 2 312.860 4.108 20 0 DIADLP CC(C)C1([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000549877414 341305716 /nfs/dbraw/zinc/30/57/16/341305716.db2.gz BRFHMQDITMEKFF-UHFFFAOYSA-N 2 2 306.881 4.083 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063503 341309321 /nfs/dbraw/zinc/30/93/21/341309321.db2.gz LUXHPFCBEAMZLA-MSOLQXFVSA-N 2 2 313.489 4.288 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)n2c1CCCC2 ZINC000550063503 341309322 /nfs/dbraw/zinc/30/93/22/341309322.db2.gz LUXHPFCBEAMZLA-MSOLQXFVSA-N 2 2 313.489 4.288 20 0 DIADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000551030709 341329652 /nfs/dbraw/zinc/32/96/52/341329652.db2.gz ZSVMKIIPDRELRB-UONOGXRCSA-N 2 2 300.421 4.112 20 0 DIADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccc(F)c2ccccc21 ZINC000551030709 341329653 /nfs/dbraw/zinc/32/96/53/341329653.db2.gz ZSVMKIIPDRELRB-UONOGXRCSA-N 2 2 300.421 4.112 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246229342 341335785 /nfs/dbraw/zinc/33/57/85/341335785.db2.gz FVWTUIFSDWYKGI-QGTPRVQTSA-N 2 2 301.409 4.056 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246229342 341335786 /nfs/dbraw/zinc/33/57/86/341335786.db2.gz FVWTUIFSDWYKGI-QGTPRVQTSA-N 2 2 301.409 4.056 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@@H](CC1CCC1)c1ccccc1)CCCC2 ZINC000551572837 341346107 /nfs/dbraw/zinc/34/61/07/341346107.db2.gz WYVUXTVOFPYQQP-IBGZPJMESA-N 2 2 309.457 4.241 20 0 DIADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3c[nH+]c4n3CCCC4)oc2c1 ZINC000551574985 341346210 /nfs/dbraw/zinc/34/62/10/341346210.db2.gz ZIXIRUVWUAAFHD-CQSZACIVSA-N 2 2 309.413 4.125 20 0 DIADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551790193 341351731 /nfs/dbraw/zinc/35/17/31/341351731.db2.gz XIIMOMNTRQIMSJ-XYPHTWIQSA-N 2 2 324.871 4.250 20 0 DIADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551790193 341351732 /nfs/dbraw/zinc/35/17/32/341351732.db2.gz XIIMOMNTRQIMSJ-XYPHTWIQSA-N 2 2 324.871 4.250 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248551238 341379770 /nfs/dbraw/zinc/37/97/70/341379770.db2.gz INJANAXEMLKNSI-XJKCOSOUSA-N 2 2 321.827 4.320 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248551238 341379771 /nfs/dbraw/zinc/37/97/71/341379771.db2.gz INJANAXEMLKNSI-XJKCOSOUSA-N 2 2 321.827 4.320 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000091284355 341424084 /nfs/dbraw/zinc/42/40/84/341424084.db2.gz IKQTVRITRHYHKY-NRFANRHFSA-N 2 2 317.436 4.172 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)ccc2n1C1CC1 ZINC000564587858 341504490 /nfs/dbraw/zinc/50/44/90/341504490.db2.gz HUQJVIDZRSPHAD-USXIJHARSA-N 2 2 309.457 4.212 20 0 DIADLP CC(C)C[C@@H]1CCC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000565565735 341531120 /nfs/dbraw/zinc/53/11/20/341531120.db2.gz GTOXVGRGEVHBJN-FUHWJXTLSA-N 2 2 312.461 4.343 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)n1C ZINC000567407996 341601908 /nfs/dbraw/zinc/60/19/08/341601908.db2.gz RZHQMIKXHIOFJF-GOSISDBHSA-N 2 2 317.864 4.403 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccccc2F)s1 ZINC000155651313 341610782 /nfs/dbraw/zinc/61/07/82/341610782.db2.gz AEWYEPBDHVHGGA-ZDUSSCGKSA-N 2 2 315.417 4.102 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000568932829 341685939 /nfs/dbraw/zinc/68/59/39/341685939.db2.gz FLHSAYKYVMQGEA-ZBFHGGJFSA-N 2 2 314.395 4.281 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000577247076 341900127 /nfs/dbraw/zinc/90/01/27/341900127.db2.gz DQWIMAJCEQQAGB-OAHLLOKOSA-N 2 2 318.848 4.033 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000577986293 341963708 /nfs/dbraw/zinc/96/37/08/341963708.db2.gz AKIBOSYLUKVUCR-UHFFFAOYSA-N 2 2 324.802 4.358 20 0 DIADLP CC(C)C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccn1 ZINC000162837167 519395039 /nfs/dbraw/zinc/39/50/39/519395039.db2.gz CFZBLMYIQSACJR-SFHVURJKSA-N 2 2 312.461 4.046 20 0 DIADLP CC(C)c1[nH+]ccn1Cc1ccccc1Cn1cc[nH+]c1C(C)C ZINC000182806093 519880262 /nfs/dbraw/zinc/88/02/62/519880262.db2.gz VBCVTUVQRWJVKN-UHFFFAOYSA-N 2 2 322.456 4.423 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000181417613 525292267 /nfs/dbraw/zinc/29/22/67/525292267.db2.gz UMFMACLZQNPORK-AWEZNQCLSA-N 2 2 308.425 4.331 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(C)(C)C)cc1 ZINC000368498644 525476541 /nfs/dbraw/zinc/47/65/41/525476541.db2.gz JMBABXJHGVXOCS-HNNXBMFYSA-N 2 2 311.473 4.368 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(C)(C)C)cc1 ZINC000368498645 525550709 /nfs/dbraw/zinc/55/07/09/525550709.db2.gz JMBABXJHGVXOCS-OAHLLOKOSA-N 2 2 311.473 4.368 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698118 525631133 /nfs/dbraw/zinc/63/11/33/525631133.db2.gz DDXSYGNRKNXNOG-XOBRGWDASA-N 2 2 321.399 4.350 20 0 DIADLP c1c[nH+]c(C2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[nH]1 ZINC000265472558 526405626 /nfs/dbraw/zinc/40/56/26/526405626.db2.gz IQEXRVFWGHUETK-UHFFFAOYSA-N 2 2 315.420 4.359 20 0 DIADLP Clc1ccccc1C1CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000339587026 526987732 /nfs/dbraw/zinc/98/77/32/526987732.db2.gz DBVQOKSBBKIUAU-UHFFFAOYSA-N 2 2 311.816 4.024 20 0 DIADLP Cc1[nH+]cc(CNc2ccc(C3CCC3)c[nH+]2)n1-c1ccccc1 ZINC000339566501 527280595 /nfs/dbraw/zinc/28/05/95/527280595.db2.gz XTVPRCNQNRZXFB-UHFFFAOYSA-N 2 2 318.424 4.455 20 0 DIADLP CCc1cc(NCc2ccccc2C[NH+]2CCCCCC2)nc[nH+]1 ZINC000603397603 547039608 /nfs/dbraw/zinc/03/96/08/547039608.db2.gz IKGIYBKHNLIVHS-UHFFFAOYSA-N 2 2 324.472 4.027 20 0 DIADLP Cc1ccc2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1 ZINC001165047039 721969863 /nfs/dbraw/zinc/96/98/63/721969863.db2.gz IGBMALKDFMTQEU-IBGZPJMESA-N 2 2 323.484 4.388 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000073617874 1035916597 /nfs/dbraw/zinc/91/65/97/1035916597.db2.gz KEVSIEBGPFKGLJ-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000037158367 1035957865 /nfs/dbraw/zinc/95/78/65/1035957865.db2.gz BXMJOYYECRCERD-IAQYHMDHSA-N 2 2 312.244 4.319 20 0 DIADLP c1csc(C([NH2+]C2CC[NH+](C3CC3)CC2)c2cccs2)c1 ZINC000037318634 1036017783 /nfs/dbraw/zinc/01/77/83/1036017783.db2.gz XUEPDOYLCMGRST-UHFFFAOYSA-N 2 2 318.511 4.115 20 0 DIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000037320311 1036022471 /nfs/dbraw/zinc/02/24/71/1036022471.db2.gz LNJUVBUALIYZMF-NXEZZACHSA-N 2 2 316.207 4.068 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(Cl)s1 ZINC001204441893 1036175159 /nfs/dbraw/zinc/17/51/59/1036175159.db2.gz GCQDZYRJUBAPJL-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(Cl)s1 ZINC001204441893 1036175168 /nfs/dbraw/zinc/17/51/68/1036175168.db2.gz GCQDZYRJUBAPJL-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC001204441893 1036175181 /nfs/dbraw/zinc/17/51/81/1036175181.db2.gz GCQDZYRJUBAPJL-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC001204441893 1036175191 /nfs/dbraw/zinc/17/51/91/1036175191.db2.gz GCQDZYRJUBAPJL-KBPBESRZSA-N 2 2 312.910 4.240 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000222565580 1036224015 /nfs/dbraw/zinc/22/40/15/1036224015.db2.gz DOLNORSUBHMMEL-GFCCVEGCSA-N 2 2 312.244 4.321 20 0 DIADLP CCC[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1F ZINC001167237497 1036304252 /nfs/dbraw/zinc/30/42/52/1036304252.db2.gz IJBKLIHDCLHIHT-UHFFFAOYSA-N 2 2 310.432 4.053 20 0 DIADLP CCC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1F ZINC001167237497 1036304268 /nfs/dbraw/zinc/30/42/68/1036304268.db2.gz IJBKLIHDCLHIHT-UHFFFAOYSA-N 2 2 310.432 4.053 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCCc4ccccc43)cc2)c[nH+]1 ZINC000340414111 1036536058 /nfs/dbraw/zinc/53/60/58/1036536058.db2.gz GOBQXOWRFLGRGZ-IBGZPJMESA-N 2 2 317.436 4.082 20 0 DIADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCCc4ccccc43)cc2)c[nH+]1 ZINC000340414117 1036538098 /nfs/dbraw/zinc/53/80/98/1036538098.db2.gz GOBQXOWRFLGRGZ-LJQANCHMSA-N 2 2 317.436 4.082 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027399792 1036642500 /nfs/dbraw/zinc/64/25/00/1036642500.db2.gz XSYVJSOQVMCNFU-YZVOILCLSA-N 2 2 321.424 4.440 20 0 DIADLP C[C@H]1CCCC[C@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100161 1037435321 /nfs/dbraw/zinc/43/53/21/1037435321.db2.gz QYJQUUZYWSFIDY-IRXDYDNUSA-N 2 2 304.478 4.002 20 0 DIADLP C[C@H]1CCCC[C@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000581100161 1037435329 /nfs/dbraw/zinc/43/53/29/1037435329.db2.gz QYJQUUZYWSFIDY-IRXDYDNUSA-N 2 2 304.478 4.002 20 0 DIADLP Clc1csc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000093093159 1037621815 /nfs/dbraw/zinc/62/18/15/1037621815.db2.gz FNCGVKXMIQNMRK-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Oc1ccccc1 ZINC000341122983 1037681813 /nfs/dbraw/zinc/68/18/13/1037681813.db2.gz GZIZLZPCNYTQAO-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Oc1ccccc1 ZINC000341122983 1037681822 /nfs/dbraw/zinc/68/18/22/1037681822.db2.gz GZIZLZPCNYTQAO-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)cc1 ZINC000341145679 1037692212 /nfs/dbraw/zinc/69/22/12/1037692212.db2.gz OJYHSBDUWORGHD-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)cc1 ZINC000341145679 1037692220 /nfs/dbraw/zinc/69/22/20/1037692220.db2.gz OJYHSBDUWORGHD-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP Cc1c[nH+]c(CNc2ccc([N@H+]3CCCC[C@@H]3C)cc2C)n1C ZINC000341266314 1037823712 /nfs/dbraw/zinc/82/37/12/1037823712.db2.gz WMBYFFWIPIQNAI-HNNXBMFYSA-N 2 2 312.461 4.028 20 0 DIADLP Cc1c[nH+]c(CNc2ccc([N@@H+]3CCCC[C@@H]3C)cc2C)n1C ZINC000341266314 1037823718 /nfs/dbraw/zinc/82/37/18/1037823718.db2.gz WMBYFFWIPIQNAI-HNNXBMFYSA-N 2 2 312.461 4.028 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000535664185 1038279421 /nfs/dbraw/zinc/27/94/21/1038279421.db2.gz YKEZCNBOXRERGV-SGWGQVFISA-N 2 2 309.457 4.150 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000535664185 1038279431 /nfs/dbraw/zinc/27/94/31/1038279431.db2.gz YKEZCNBOXRERGV-SGWGQVFISA-N 2 2 309.457 4.150 20 0 DIADLP CC(C)(C)C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000341854442 1038296473 /nfs/dbraw/zinc/29/64/73/1038296473.db2.gz BPHYYJTURULHGR-INIZCTEOSA-N 2 2 305.853 4.304 20 0 DIADLP COc1ccc([C@@H](CCC(C)C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151112425 1038433149 /nfs/dbraw/zinc/43/31/49/1038433149.db2.gz FYPAXXVDZOEWJO-LJQANCHMSA-N 2 2 315.461 4.049 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000151353313 1038439559 /nfs/dbraw/zinc/43/95/59/1038439559.db2.gz CFQJABSORUVMQR-FQEVSTJZSA-N 2 2 323.415 4.311 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000684663999 1038481571 /nfs/dbraw/zinc/48/15/71/1038481571.db2.gz JKZQGEZJOBVVCZ-DLBZAZTESA-N 2 2 322.443 4.065 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000684663999 1038481578 /nfs/dbraw/zinc/48/15/78/1038481578.db2.gz JKZQGEZJOBVVCZ-DLBZAZTESA-N 2 2 322.443 4.065 20 0 DIADLP Cc1[nH]c(CNc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[nH+]c1C ZINC000657320246 1038563390 /nfs/dbraw/zinc/56/33/90/1038563390.db2.gz AYLNUCCOBZNGFA-CQSZACIVSA-N 2 2 312.461 4.013 20 0 DIADLP Cc1[nH]c(CNc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[nH+]c1C ZINC000657320246 1038563400 /nfs/dbraw/zinc/56/34/00/1038563400.db2.gz AYLNUCCOBZNGFA-CQSZACIVSA-N 2 2 312.461 4.013 20 0 DIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)c[nH+]1 ZINC000152113742 1038571785 /nfs/dbraw/zinc/57/17/85/1038571785.db2.gz QUMRTQLDSPIDRE-SFHVURJKSA-N 2 2 323.465 4.160 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OC)c1 ZINC000152224800 1038593539 /nfs/dbraw/zinc/59/35/39/1038593539.db2.gz XFMUMOQCZNFJJU-LJQANCHMSA-N 2 2 321.424 4.122 20 0 DIADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152260513 1038599200 /nfs/dbraw/zinc/59/92/00/1038599200.db2.gz CDRYVICODDFZHJ-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP CCc1cccc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)oc21 ZINC000657458218 1038697152 /nfs/dbraw/zinc/69/71/52/1038697152.db2.gz YDAGHBZKXJGSPG-UHFFFAOYSA-N 2 2 312.457 4.102 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000608072917 1038765907 /nfs/dbraw/zinc/76/59/07/1038765907.db2.gz MJNYZNPWKHLSIQ-ZBWUASRJSA-N 2 2 317.436 4.007 20 0 DIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCc1cccc(Cl)c1 ZINC001167635488 1039021035 /nfs/dbraw/zinc/02/10/35/1039021035.db2.gz LWQFQVDHTKYKTE-MOPGFXCFSA-N 2 2 320.908 4.221 20 0 DIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCc1cccc(Cl)c1 ZINC001167635488 1039021053 /nfs/dbraw/zinc/02/10/53/1039021053.db2.gz LWQFQVDHTKYKTE-MOPGFXCFSA-N 2 2 320.908 4.221 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCc1cccc(Cl)c1 ZINC001167635488 1039021068 /nfs/dbraw/zinc/02/10/68/1039021068.db2.gz LWQFQVDHTKYKTE-MOPGFXCFSA-N 2 2 320.908 4.221 20 0 DIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCc1cccc(Cl)c1 ZINC001167635488 1039021087 /nfs/dbraw/zinc/02/10/87/1039021087.db2.gz LWQFQVDHTKYKTE-MOPGFXCFSA-N 2 2 320.908 4.221 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000091671937 1039098721 /nfs/dbraw/zinc/09/87/21/1039098721.db2.gz NNKPSQSHLBZMDV-UHFFFAOYSA-N 2 2 318.848 4.126 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nc(C)cs1 ZINC000150947490 1039302181 /nfs/dbraw/zinc/30/21/81/1039302181.db2.gz AYJJGDHSQIIGLJ-KRWDZBQOSA-N 2 2 321.534 4.289 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838080 1039351726 /nfs/dbraw/zinc/35/17/26/1039351726.db2.gz GMYMHQBFQUYEAK-SWLSCSKDSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838080 1039351728 /nfs/dbraw/zinc/35/17/28/1039351728.db2.gz GMYMHQBFQUYEAK-SWLSCSKDSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838080 1039351730 /nfs/dbraw/zinc/35/17/30/1039351730.db2.gz GMYMHQBFQUYEAK-SWLSCSKDSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838080 1039351753 /nfs/dbraw/zinc/35/17/53/1039351753.db2.gz GMYMHQBFQUYEAK-SWLSCSKDSA-N 2 2 315.288 4.156 20 0 DIADLP Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000126938134 1039413978 /nfs/dbraw/zinc/41/39/78/1039413978.db2.gz URTOLIQORVGANH-QWHCGFSZSA-N 2 2 312.442 4.049 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000540286772 1039467443 /nfs/dbraw/zinc/46/74/43/1039467443.db2.gz NJBHFADDWURZGI-QLFBSQMISA-N 2 2 315.486 4.138 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000540286772 1039467451 /nfs/dbraw/zinc/46/74/51/1039467451.db2.gz NJBHFADDWURZGI-QLFBSQMISA-N 2 2 315.486 4.138 20 0 DIADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427860484 1039474160 /nfs/dbraw/zinc/47/41/60/1039474160.db2.gz AHKOQWLBYPEBEL-SJORKVTESA-N 2 2 315.436 4.104 20 0 DIADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000540550929 1039514974 /nfs/dbraw/zinc/51/49/74/1039514974.db2.gz RYMYWDYKQSIUTD-LJQANCHMSA-N 2 2 317.452 4.002 20 0 DIADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000540550929 1039514990 /nfs/dbraw/zinc/51/49/90/1039514990.db2.gz RYMYWDYKQSIUTD-LJQANCHMSA-N 2 2 317.452 4.002 20 0 DIADLP C[C@@H](c1ccccc1F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203219 1039635073 /nfs/dbraw/zinc/63/50/73/1039635073.db2.gz XGTQYTNPMDFSHQ-INIZCTEOSA-N 2 2 315.436 4.276 20 0 DIADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000151709871 1039639240 /nfs/dbraw/zinc/63/92/40/1039639240.db2.gz ZFCWHDLUINEUIB-GJZGRUSLSA-N 2 2 309.388 4.423 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973113 1039693329 /nfs/dbraw/zinc/69/33/29/1039693329.db2.gz YDMKYCVTSCZJSI-AAEUAGOBSA-N 2 2 307.800 4.143 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973113 1039693334 /nfs/dbraw/zinc/69/33/34/1039693334.db2.gz YDMKYCVTSCZJSI-AAEUAGOBSA-N 2 2 307.800 4.143 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667693 1039815130 /nfs/dbraw/zinc/81/51/30/1039815130.db2.gz XUTGCUQEUWYAEO-MSOLQXFVSA-N 2 2 315.505 4.332 20 0 DIADLP Cc1cc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc2cc1C ZINC000092072994 1039866326 /nfs/dbraw/zinc/86/63/26/1039866326.db2.gz OWJRVCFUIHQBNX-HNNXBMFYSA-N 2 2 309.413 4.152 20 0 DIADLP Cc1cc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc2cc1C ZINC000092072994 1039866356 /nfs/dbraw/zinc/86/63/56/1039866356.db2.gz OWJRVCFUIHQBNX-HNNXBMFYSA-N 2 2 309.413 4.152 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C(C)(C)C(F)F)c1ccccc1 ZINC000657882898 1039994448 /nfs/dbraw/zinc/99/44/48/1039994448.db2.gz WBVGMVZEUUQPFE-KGLIPLIRSA-N 2 2 312.448 4.385 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cn1 ZINC000493062210 1040073991 /nfs/dbraw/zinc/07/39/91/1040073991.db2.gz SKQKDXBTIQHLDN-SFHVURJKSA-N 2 2 319.468 4.059 20 0 DIADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000315948473 1040124390 /nfs/dbraw/zinc/12/43/90/1040124390.db2.gz YCZGKJHXXJQLTQ-KKXNLOMOSA-N 2 2 300.490 4.177 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)C2 ZINC000685662349 1040202913 /nfs/dbraw/zinc/20/29/13/1040202913.db2.gz WIXZPYFLWDCGNS-UYAOXDASSA-N 2 2 323.484 4.048 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000685662163 1040205084 /nfs/dbraw/zinc/20/50/84/1040205084.db2.gz QZZBQQDDMXKTHY-PXNSSMCTSA-N 2 2 309.457 4.097 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977750 1040240852 /nfs/dbraw/zinc/24/08/52/1040240852.db2.gz BMKPDKSUYIKONR-PBHICJAKSA-N 2 2 324.459 4.166 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977750 1040240870 /nfs/dbraw/zinc/24/08/70/1040240870.db2.gz BMKPDKSUYIKONR-PBHICJAKSA-N 2 2 324.459 4.166 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590482 1040724007 /nfs/dbraw/zinc/72/40/07/1040724007.db2.gz MUSNMWADQZDBRX-FRRDWIJNSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590482 1040724023 /nfs/dbraw/zinc/72/40/23/1040724023.db2.gz MUSNMWADQZDBRX-FRRDWIJNSA-N 2 2 313.272 4.271 20 0 DIADLP Clc1ccc([C@H]2CCC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000414054997 1040795912 /nfs/dbraw/zinc/79/59/12/1040795912.db2.gz OADHNSGPKZZIBI-WMZOPIPTSA-N 2 2 317.864 4.243 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464481 1040935576 /nfs/dbraw/zinc/93/55/76/1040935576.db2.gz OVNAXGKQCFUCLO-PXNSSMCTSA-N 2 2 323.484 4.033 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccn1 ZINC000282464481 1040935596 /nfs/dbraw/zinc/93/55/96/1040935596.db2.gz OVNAXGKQCFUCLO-PXNSSMCTSA-N 2 2 323.484 4.033 20 0 DIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3cccc[nH+]3)cc2)C1 ZINC000613516328 1041073406 /nfs/dbraw/zinc/07/34/06/1041073406.db2.gz DUWHMKQQKGNRSU-IRXDYDNUSA-N 2 2 309.457 4.172 20 0 DIADLP CCCCCC[C@@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001170587383 1041262739 /nfs/dbraw/zinc/26/27/39/1041262739.db2.gz PVIQUKFZDQRIAR-QGZVFWFLSA-N 2 2 303.494 4.389 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000588178081 1041287678 /nfs/dbraw/zinc/28/76/78/1041287678.db2.gz JXBLBDCCOOONLN-LFIBNONCSA-N 2 2 321.399 4.205 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000783226306 1041729910 /nfs/dbraw/zinc/72/99/10/1041729910.db2.gz ZVGYCSUOOVJRTO-OTWHNJEPSA-N 2 2 311.473 4.224 20 0 DIADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H](c3ccccc3)[C@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC001170715305 1041744520 /nfs/dbraw/zinc/74/45/20/1041744520.db2.gz GEMZDEHOEYMLOF-YMQHIKHWSA-N 2 2 320.480 4.452 20 0 DIADLP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2cc(F)ccc21 ZINC001167752415 1041746408 /nfs/dbraw/zinc/74/64/08/1041746408.db2.gz VJEQGSIEZPUWDB-AWEZNQCLSA-N 2 2 301.409 4.050 20 0 DIADLP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2cc(F)ccc21 ZINC001167752415 1041746413 /nfs/dbraw/zinc/74/64/13/1041746413.db2.gz VJEQGSIEZPUWDB-AWEZNQCLSA-N 2 2 301.409 4.050 20 0 DIADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673670 1041850903 /nfs/dbraw/zinc/85/09/03/1041850903.db2.gz BTGMQBANIZEGEV-MRXNPFEDSA-N 2 2 312.432 4.141 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH2+]Cc3ccccc3)CC1)CC2 ZINC000660679949 1041850925 /nfs/dbraw/zinc/85/09/25/1041850925.db2.gz UUSWBMNBUYHNPW-NRFANRHFSA-N 2 2 324.443 4.067 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000815557532 1041962511 /nfs/dbraw/zinc/96/25/11/1041962511.db2.gz WZSAQMRRXLKQNK-INIZCTEOSA-N 2 2 323.415 4.230 20 0 DIADLP Clc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000652216416 1041977869 /nfs/dbraw/zinc/97/78/69/1041977869.db2.gz TXBMLVQRVGZZEN-UHFFFAOYSA-N 2 2 318.892 4.183 20 0 DIADLP Cc1cc(C)c2[nH+]c(NCc3ccc(N)[nH+]c3C)cc(C)c2c1 ZINC001167785606 1042032820 /nfs/dbraw/zinc/03/28/20/1042032820.db2.gz VKVXVNZOYBHKRH-UHFFFAOYSA-N 2 2 306.413 4.058 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170935232 1042192196 /nfs/dbraw/zinc/19/21/96/1042192196.db2.gz QZJBVYMGVCRTCA-QGZVFWFLSA-N 2 2 320.908 4.004 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000317239143 1042216641 /nfs/dbraw/zinc/21/66/41/1042216641.db2.gz MCPAVUMYWYJVHU-DLBZAZTESA-N 2 2 317.864 4.228 20 0 DIADLP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000820806379 1042228379 /nfs/dbraw/zinc/22/83/79/1042228379.db2.gz GSHLYMQGOULHHW-HXUWFJFHSA-N 2 2 324.468 4.088 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000319793966 1042267989 /nfs/dbraw/zinc/26/79/89/1042267989.db2.gz GQVWEQQRDOEMMS-GOSISDBHSA-N 2 2 313.489 4.385 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1OC ZINC000162910455 1042301358 /nfs/dbraw/zinc/30/13/58/1042301358.db2.gz XWOPNXTYLDOUSD-QGZVFWFLSA-N 2 2 313.445 4.023 20 0 DIADLP Fc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCCCC3)o2)cc1 ZINC000320252928 1042344051 /nfs/dbraw/zinc/34/40/51/1042344051.db2.gz BFFHMXPRVYBGER-UHFFFAOYSA-N 2 2 316.420 4.051 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1Cl ZINC000041119621 1042392498 /nfs/dbraw/zinc/39/24/98/1042392498.db2.gz FBCQYFZHHYPLSG-VIFPVBQESA-N 2 2 318.635 4.194 20 0 DIADLP Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000152099408 1042413674 /nfs/dbraw/zinc/41/36/74/1042413674.db2.gz NRSTVUXDDUDJFQ-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000152103086 1042415256 /nfs/dbraw/zinc/41/52/56/1042415256.db2.gz MOYFJANZODDEEU-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP CC1(C)CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000513462075 1042543865 /nfs/dbraw/zinc/54/38/65/1042543865.db2.gz BSZLJFYAOSFZKP-UHFFFAOYSA-N 2 2 320.443 4.209 20 0 DIADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513503770 1042549259 /nfs/dbraw/zinc/54/92/59/1042549259.db2.gz XYGJHTCNUBMDDA-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP Cc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000513503770 1042549261 /nfs/dbraw/zinc/54/92/61/1042549261.db2.gz XYGJHTCNUBMDDA-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000420907833 1042615498 /nfs/dbraw/zinc/61/54/98/1042615498.db2.gz VPJCGLMVORARBJ-UHFFFAOYSA-N 2 2 302.849 4.019 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053855 1042681626 /nfs/dbraw/zinc/68/16/26/1042681626.db2.gz WUNRFEWPXOFUEV-KOUHRCEDSA-N 2 2 312.501 4.065 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C1CC1 ZINC000711053855 1042681628 /nfs/dbraw/zinc/68/16/28/1042681628.db2.gz WUNRFEWPXOFUEV-KOUHRCEDSA-N 2 2 312.501 4.065 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)c2ccccc21 ZINC000422697464 1042687807 /nfs/dbraw/zinc/68/78/07/1042687807.db2.gz URADLVWASHRUTG-PMACEKPBSA-N 2 2 322.452 4.242 20 0 DIADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000422765592 1042689947 /nfs/dbraw/zinc/68/99/47/1042689947.db2.gz QMBJLXHIAGVCPD-LMNJBCLMSA-N 2 2 323.484 4.071 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422785040 1042689968 /nfs/dbraw/zinc/68/99/68/1042689968.db2.gz QMQLOFAFUAXWTB-YRNRMSPPSA-N 2 2 324.468 4.153 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)c2ccccc21 ZINC000422847022 1042691080 /nfs/dbraw/zinc/69/10/80/1042691080.db2.gz QTZXVFQOQQZBDG-BRWVUGGUSA-N 2 2 314.429 4.097 20 0 DIADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422875849 1042691769 /nfs/dbraw/zinc/69/17/69/1042691769.db2.gz PONAPKSNHUROBT-YSSFQJQWSA-N 2 2 324.468 4.407 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146418 1042698819 /nfs/dbraw/zinc/69/88/19/1042698819.db2.gz PECOVWJDXRUXDE-IPMKNSEASA-N 2 2 314.379 4.077 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146414 1042698837 /nfs/dbraw/zinc/69/88/37/1042698837.db2.gz PECOVWJDXRUXDE-CEXWTWQISA-N 2 2 314.379 4.077 20 0 DIADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423177051 1042699460 /nfs/dbraw/zinc/69/94/60/1042699460.db2.gz DORZHDQOUPPSFC-QMMMGPOBSA-N 2 2 307.652 4.049 20 0 DIADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423215644 1042701145 /nfs/dbraw/zinc/70/11/45/1042701145.db2.gz NGUFEFXPYJAZEY-GUBZILKMSA-N 2 2 307.290 4.094 20 0 DIADLP [NH3+][C@@H](C[NH2+][C@H](c1cccs1)C1CCCC1)c1ccccc1 ZINC000423254271 1042702963 /nfs/dbraw/zinc/70/29/63/1042702963.db2.gz ZSNMUHOVRREUAG-WMZOPIPTSA-N 2 2 300.471 4.269 20 0 DIADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC000423254286 1042703692 /nfs/dbraw/zinc/70/36/92/1042703692.db2.gz ZTOGPBSDGMLHKT-ZWKOTPCHSA-N 2 2 300.833 4.081 20 0 DIADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423362246 1042708294 /nfs/dbraw/zinc/70/82/94/1042708294.db2.gz AZTHHKDRKCNPIO-MIMYLULJSA-N 2 2 319.301 4.020 20 0 DIADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423494570 1042716562 /nfs/dbraw/zinc/71/65/62/1042716562.db2.gz AXQKQSMAYCNMEP-SUMWQHHRSA-N 2 2 310.432 4.052 20 0 DIADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccccc21 ZINC000423513160 1042717338 /nfs/dbraw/zinc/71/73/38/1042717338.db2.gz VIEOXJMWUXYKML-ROUUACIJSA-N 2 2 312.482 4.076 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000426001352 1042895451 /nfs/dbraw/zinc/89/54/51/1042895451.db2.gz KSKQGQSFNJBTQC-UHFFFAOYSA-N 2 2 322.861 4.148 20 0 DIADLP Cc1ccccc1-c1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000517945532 1042902852 /nfs/dbraw/zinc/90/28/52/1042902852.db2.gz YFTVHESAAJRUGD-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP Cc1ccccc1-c1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000517945532 1042902854 /nfs/dbraw/zinc/90/28/54/1042902854.db2.gz YFTVHESAAJRUGD-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167974348 1042966715 /nfs/dbraw/zinc/96/67/15/1042966715.db2.gz XICNOLKKQOGKFI-AYHJJNSGSA-N 2 2 318.892 4.143 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974348 1042966718 /nfs/dbraw/zinc/96/67/18/1042966718.db2.gz XICNOLKKQOGKFI-AYHJJNSGSA-N 2 2 318.892 4.143 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353153 1043037973 /nfs/dbraw/zinc/03/79/73/1043037973.db2.gz GKGDEPZVPXXMJK-QAPCUYQASA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353153 1043037975 /nfs/dbraw/zinc/03/79/75/1043037975.db2.gz GKGDEPZVPXXMJK-QAPCUYQASA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441353153 1043037978 /nfs/dbraw/zinc/03/79/78/1043037978.db2.gz GKGDEPZVPXXMJK-QAPCUYQASA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441353153 1043037980 /nfs/dbraw/zinc/03/79/80/1043037980.db2.gz GKGDEPZVPXXMJK-QAPCUYQASA-N 2 2 310.432 4.222 20 0 DIADLP CSc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000520407010 1043043177 /nfs/dbraw/zinc/04/31/77/1043043177.db2.gz ZKWOLWHDNWNITM-SFHVURJKSA-N 2 2 315.486 4.052 20 0 DIADLP CCCc1cc(N2CCC(n3cc[nH+]c3)CC2)c2ccccc2[nH+]1 ZINC000124358920 1043072781 /nfs/dbraw/zinc/07/27/81/1043072781.db2.gz RHIGJGVIBVSUQE-UHFFFAOYSA-N 2 2 320.440 4.225 20 0 DIADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccnc1Cl ZINC000120765334 1043140605 /nfs/dbraw/zinc/14/06/05/1043140605.db2.gz WVGLSTOSTPJCAS-CQSZACIVSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccnc1Cl ZINC000120765334 1043140608 /nfs/dbraw/zinc/14/06/08/1043140608.db2.gz WVGLSTOSTPJCAS-CQSZACIVSA-N 2 2 309.885 4.040 20 0 DIADLP c1cn(CCCC[NH2+][C@H]2CCc3cccc4cccc2c43)c[nH+]1 ZINC000866238319 1043164059 /nfs/dbraw/zinc/16/40/59/1043164059.db2.gz OOGFETZMGGPDSJ-IBGZPJMESA-N 2 2 305.425 4.094 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866543588 1043222066 /nfs/dbraw/zinc/22/20/66/1043222066.db2.gz YKVJGDKTEOSLOP-CYBMUJFWSA-N 2 2 307.388 4.204 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000427600160 1043230013 /nfs/dbraw/zinc/23/00/13/1043230013.db2.gz RWLZIDNBZPJBBD-KURKYZTESA-N 2 2 316.514 4.057 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000427600160 1043230018 /nfs/dbraw/zinc/23/00/18/1043230018.db2.gz RWLZIDNBZPJBBD-KURKYZTESA-N 2 2 316.514 4.057 20 0 DIADLP c1cn(Cc2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2)c[nH+]1 ZINC000665211804 1043286448 /nfs/dbraw/zinc/28/64/48/1043286448.db2.gz GMHWJYYJPFQPMK-UHFFFAOYSA-N 2 2 317.436 4.194 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000268747889 1043326954 /nfs/dbraw/zinc/32/69/54/1043326954.db2.gz GJFXCVFLSQTGIH-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268789175 1043331855 /nfs/dbraw/zinc/33/18/55/1043331855.db2.gz XGESRFDDVPOMQR-HNNXBMFYSA-N 2 2 311.454 4.152 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc(-n2cc[nH+]c2)c1 ZINC000268922547 1043341981 /nfs/dbraw/zinc/34/19/81/1043341981.db2.gz JZQLWRNEIIQHPU-VLIAUNLRSA-N 2 2 321.399 4.350 20 0 DIADLP Clc1oc2ccccc2c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000270510761 1043388824 /nfs/dbraw/zinc/38/88/24/1043388824.db2.gz OONDSZXCDIUHRQ-UHFFFAOYSA-N 2 2 318.848 4.193 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000558257595 1043475700 /nfs/dbraw/zinc/47/57/00/1043475700.db2.gz KPNQQUIUXQAXFI-AYOQOUSVSA-N 2 2 315.505 4.021 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000124065814 1043495056 /nfs/dbraw/zinc/49/50/56/1043495056.db2.gz LADUAJLAPQBTMN-LJQANCHMSA-N 2 2 309.388 4.252 20 0 DIADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000349797180 1043524644 /nfs/dbraw/zinc/52/46/44/1043524644.db2.gz BHNFDEDAVDCCCN-IBGZPJMESA-N 2 2 323.484 4.046 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985507 1043539209 /nfs/dbraw/zinc/53/92/09/1043539209.db2.gz FEKSEKVZVUVZBM-LPHOPBHVSA-N 2 2 302.506 4.169 20 0 DIADLP C[C@@H](C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000717985507 1043539201 /nfs/dbraw/zinc/53/92/01/1043539201.db2.gz FEKSEKVZVUVZBM-LPHOPBHVSA-N 2 2 302.506 4.169 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718013889 1043545069 /nfs/dbraw/zinc/54/50/69/1043545069.db2.gz DNMNDADXDWQWCU-DUXKGJEZSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718013889 1043545080 /nfs/dbraw/zinc/54/50/80/1043545080.db2.gz DNMNDADXDWQWCU-DUXKGJEZSA-N 2 2 314.517 4.313 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC000718021751 1043551983 /nfs/dbraw/zinc/55/19/83/1043551983.db2.gz TYEHYRXUFDLKOQ-NRFANRHFSA-N 2 2 314.517 4.457 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC000718021751 1043551995 /nfs/dbraw/zinc/55/19/95/1043551995.db2.gz TYEHYRXUFDLKOQ-NRFANRHFSA-N 2 2 314.517 4.457 20 0 DIADLP Fc1cccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000353333672 1043600169 /nfs/dbraw/zinc/60/01/69/1043600169.db2.gz SFFHJXXPDRFOKR-GOSISDBHSA-N 2 2 321.399 4.001 20 0 DIADLP Fc1cccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000353333672 1043600178 /nfs/dbraw/zinc/60/01/78/1043600178.db2.gz SFFHJXXPDRFOKR-GOSISDBHSA-N 2 2 321.399 4.001 20 0 DIADLP CC(C)CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccoc1 ZINC000353442806 1043609079 /nfs/dbraw/zinc/60/90/79/1043609079.db2.gz DBNGEEHNCSSTFM-GOSISDBHSA-N 2 2 315.461 4.122 20 0 DIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573322 1043617796 /nfs/dbraw/zinc/61/77/96/1043617796.db2.gz LAANULRKHVORKO-LPHOPBHVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573322 1043617801 /nfs/dbraw/zinc/61/78/01/1043617801.db2.gz LAANULRKHVORKO-LPHOPBHVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573322 1043617807 /nfs/dbraw/zinc/61/78/07/1043617807.db2.gz LAANULRKHVORKO-LPHOPBHVSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000353573322 1043617812 /nfs/dbraw/zinc/61/78/12/1043617812.db2.gz LAANULRKHVORKO-LPHOPBHVSA-N 2 2 312.457 4.073 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]COc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024432 1043643800 /nfs/dbraw/zinc/64/38/00/1043643800.db2.gz GLKWPCZYHNDHMX-OPVJXMOQSA-N 2 2 324.468 4.054 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]COc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024432 1043643805 /nfs/dbraw/zinc/64/38/05/1043643805.db2.gz GLKWPCZYHNDHMX-OPVJXMOQSA-N 2 2 324.468 4.054 20 0 DIADLP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccoc1 ZINC001168024388 1043644581 /nfs/dbraw/zinc/64/45/81/1043644581.db2.gz FVSLNLUALBCHAL-ZACQAIPSSA-N 2 2 312.457 4.372 20 0 DIADLP CC(C)C[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157398 1043673905 /nfs/dbraw/zinc/67/39/05/1043673905.db2.gz XGBKUUHIGTWSRF-OALUTQOASA-N 2 2 311.473 4.419 20 0 DIADLP CC(C)C[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000474157398 1043673909 /nfs/dbraw/zinc/67/39/09/1043673909.db2.gz XGBKUUHIGTWSRF-OALUTQOASA-N 2 2 311.473 4.419 20 0 DIADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000474348508 1043744184 /nfs/dbraw/zinc/74/41/84/1043744184.db2.gz MYXIUOLNFPXPGW-UHFFFAOYSA-N 2 2 308.897 4.255 20 0 DIADLP CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692462 1043756531 /nfs/dbraw/zinc/75/65/31/1043756531.db2.gz BZOTWRHXBACIJD-IAGOWNOFSA-N 2 2 317.521 4.311 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000355594295 1043778854 /nfs/dbraw/zinc/77/88/54/1043778854.db2.gz DSWCVGQODCHSAB-AWEZNQCLSA-N 2 2 303.837 4.005 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000355594295 1043778859 /nfs/dbraw/zinc/77/88/59/1043778859.db2.gz DSWCVGQODCHSAB-AWEZNQCLSA-N 2 2 303.837 4.005 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000877795463 1043799917 /nfs/dbraw/zinc/79/99/17/1043799917.db2.gz LEVRMFNVLWVBJC-UHFFFAOYSA-N 2 2 323.484 4.075 20 0 DIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cscc1C(F)(F)F ZINC000356323520 1043834057 /nfs/dbraw/zinc/83/40/57/1043834057.db2.gz TXYIZQVCFCKOOT-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cscc1C(F)(F)F ZINC000356323520 1043834074 /nfs/dbraw/zinc/83/40/74/1043834074.db2.gz TXYIZQVCFCKOOT-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474717586 1043898568 /nfs/dbraw/zinc/89/85/68/1043898568.db2.gz YGYDZRDVSYWEKR-CABCVRRESA-N 2 2 319.518 4.110 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000474717586 1043898586 /nfs/dbraw/zinc/89/85/86/1043898586.db2.gz YGYDZRDVSYWEKR-CABCVRRESA-N 2 2 319.518 4.110 20 0 DIADLP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000290142614 1043922454 /nfs/dbraw/zinc/92/24/54/1043922454.db2.gz CFYAGDZLPHPEBU-RCCFBDPRSA-N 2 2 317.521 4.411 20 0 DIADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000290142608 1043923312 /nfs/dbraw/zinc/92/33/12/1043923312.db2.gz CFYAGDZLPHPEBU-BZSNNMDCSA-N 2 2 317.521 4.411 20 0 DIADLP CC[N@H+](CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000561361036 1043936991 /nfs/dbraw/zinc/93/69/91/1043936991.db2.gz KOZFFLXGXUGSCM-UHFFFAOYSA-N 2 2 319.452 4.385 20 0 DIADLP CC[N@@H+](CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000561361036 1043936995 /nfs/dbraw/zinc/93/69/95/1043936995.db2.gz KOZFFLXGXUGSCM-UHFFFAOYSA-N 2 2 319.452 4.385 20 0 DIADLP Cc1cc(C)cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000561522504 1043964622 /nfs/dbraw/zinc/96/46/22/1043964622.db2.gz IPCSYLZRIQXINB-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000561746348 1044000916 /nfs/dbraw/zinc/00/09/16/1044000916.db2.gz RCYUMVUHMOEUCK-GOSISDBHSA-N 2 2 319.452 4.292 20 0 DIADLP CC(C)CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000561771076 1044003373 /nfs/dbraw/zinc/00/33/73/1044003373.db2.gz BVSCSAPHPDNPMR-QGZVFWFLSA-N 2 2 305.510 4.202 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cc(Cl)ccc1OC ZINC000358092873 1044019040 /nfs/dbraw/zinc/01/90/40/1044019040.db2.gz XXMHPJHYOWXXRQ-QGZVFWFLSA-N 2 2 324.896 4.262 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981107 1044040437 /nfs/dbraw/zinc/04/04/37/1044040437.db2.gz WKZGLWMCQXQYRW-YLJYHZDGSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981107 1044040452 /nfs/dbraw/zinc/04/04/52/1044040452.db2.gz WKZGLWMCQXQYRW-YLJYHZDGSA-N 2 2 316.489 4.168 20 0 DIADLP Cc1ccsc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000561975460 1044041161 /nfs/dbraw/zinc/04/11/61/1044041161.db2.gz VLTVBDQRQZLXHQ-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1ccsc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000561975460 1044041176 /nfs/dbraw/zinc/04/11/76/1044041176.db2.gz VLTVBDQRQZLXHQ-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP C[C@H](CC[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000561986926 1044043429 /nfs/dbraw/zinc/04/34/29/1044043429.db2.gz DJCVLGDRTLCLJJ-GOSISDBHSA-N 2 2 319.452 4.215 20 0 DIADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC000880569654 1044047561 /nfs/dbraw/zinc/04/75/61/1044047561.db2.gz NNOOAHPEDMDDMG-HXUWFJFHSA-N 2 2 305.425 4.031 20 0 DIADLP FC1(F)CCC[C@H]1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570362 1044048043 /nfs/dbraw/zinc/04/80/43/1044048043.db2.gz UTOKPBSUUSVOEQ-DLBZAZTESA-N 2 2 319.399 4.040 20 0 DIADLP FC1(F)CCC[C@@H]1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570365 1044049225 /nfs/dbraw/zinc/04/92/25/1044049225.db2.gz UTOKPBSUUSVOEQ-SJORKVTESA-N 2 2 319.399 4.040 20 0 DIADLP Cc1ccc(C)c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880571433 1044049743 /nfs/dbraw/zinc/04/97/43/1044049743.db2.gz PGGROWAOANUNIM-FQEVSTJZSA-N 2 2 305.425 4.031 20 0 DIADLP CC(C)CSCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358355350 1044060153 /nfs/dbraw/zinc/06/01/53/1044060153.db2.gz MXGJQMLYYHRUNF-INIZCTEOSA-N 2 2 317.502 4.302 20 0 DIADLP C[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccsc2S1 ZINC000359047097 1044125017 /nfs/dbraw/zinc/12/50/17/1044125017.db2.gz MFYKLZHMMIMKMU-USPMSXPRSA-N 2 2 322.543 4.280 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccsc2S1 ZINC000359047098 1044125097 /nfs/dbraw/zinc/12/50/97/1044125097.db2.gz MFYKLZHMMIMKMU-UWLZSVRSSA-N 2 2 322.543 4.280 20 0 DIADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000359552872 1044177005 /nfs/dbraw/zinc/17/70/05/1044177005.db2.gz OUPJKYKZKAERRA-FQEVSTJZSA-N 2 2 321.424 4.416 20 0 DIADLP CC[C@H](C[NH3+])Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000629742806 1044185008 /nfs/dbraw/zinc/18/50/08/1044185008.db2.gz YJNAMAFUSMODQC-KRWDZBQOSA-N 2 2 319.452 4.126 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1OC ZINC000359946251 1044219855 /nfs/dbraw/zinc/21/98/55/1044219855.db2.gz YZGSMQMOHIBFHD-GVDBMIGSSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)ccc1OC ZINC000359946251 1044219861 /nfs/dbraw/zinc/21/98/61/1044219861.db2.gz YZGSMQMOHIBFHD-GVDBMIGSSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1OC ZINC000359946254 1044220168 /nfs/dbraw/zinc/22/01/68/1044220168.db2.gz YZGSMQMOHIBFHD-ULQDDVLXSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1OC ZINC000359946254 1044220178 /nfs/dbraw/zinc/22/01/78/1044220178.db2.gz YZGSMQMOHIBFHD-ULQDDVLXSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1sccc1Cl ZINC000883180598 1044230496 /nfs/dbraw/zinc/23/04/96/1044230496.db2.gz GQCKIEODEAAKEF-OAHLLOKOSA-N 2 2 312.910 4.459 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387572 1044300816 /nfs/dbraw/zinc/30/08/16/1044300816.db2.gz ZUXIPIMOHFAEHV-LEWJYISDSA-N 2 2 317.436 4.210 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000883398102 1044301970 /nfs/dbraw/zinc/30/19/70/1044301970.db2.gz CWIIEJZZEAEUPS-LZQZEXGQSA-N 2 2 321.424 4.131 20 0 DIADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccsc1 ZINC000883387896 1044304268 /nfs/dbraw/zinc/30/42/68/1044304268.db2.gz HSUUFJWEZGUPKN-MSOLQXFVSA-N 2 2 311.454 4.427 20 0 DIADLP Cc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000883398875 1044305725 /nfs/dbraw/zinc/30/57/25/1044305725.db2.gz XSNIFADPZLZYMU-HXUWFJFHSA-N 2 2 305.425 4.031 20 0 DIADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000564148391 1044348253 /nfs/dbraw/zinc/34/82/53/1044348253.db2.gz PASFJXRIBPINLR-IAGOWNOFSA-N 2 2 303.494 4.173 20 0 DIADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000361038710 1044352664 /nfs/dbraw/zinc/35/26/64/1044352664.db2.gz PUBZGYBEGITRHM-QGZVFWFLSA-N 2 2 319.399 4.293 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001204001607 1044354452 /nfs/dbraw/zinc/35/44/52/1044354452.db2.gz AASLXTUJNOVBRW-QINSGFPZSA-N 2 2 306.881 4.065 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001204001607 1044354466 /nfs/dbraw/zinc/35/44/66/1044354466.db2.gz AASLXTUJNOVBRW-QINSGFPZSA-N 2 2 306.881 4.065 20 0 DIADLP C[C@@H]1CC([N@@H+]2CCCCC23CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061462 1044361651 /nfs/dbraw/zinc/36/16/51/1044361651.db2.gz IMBVEHJJECFBSY-QZTJIDSGSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1CC([N@H+]2CCCCC23CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061462 1044361663 /nfs/dbraw/zinc/36/16/63/1044361663.db2.gz IMBVEHJJECFBSY-QZTJIDSGSA-N 2 2 312.501 4.447 20 0 DIADLP CCc1ccc([C@@H](CC)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000325087278 1044387585 /nfs/dbraw/zinc/38/75/85/1044387585.db2.gz IVDZZTPEYMJBJL-HXUWFJFHSA-N 2 2 323.484 4.354 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)c[nH+]1 ZINC000361498047 1044410614 /nfs/dbraw/zinc/41/06/14/1044410614.db2.gz RQZHOOJYBUTKOM-KRWDZBQOSA-N 2 2 309.438 4.101 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)CCC2 ZINC000361650479 1044429062 /nfs/dbraw/zinc/42/90/62/1044429062.db2.gz BBMAXDURBBXTMT-UONOGXRCSA-N 2 2 303.837 4.073 20 0 DIADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000361665809 1044430270 /nfs/dbraw/zinc/43/02/70/1044430270.db2.gz ZOXWKKNJCOLYMF-HKUYNNGSSA-N 2 2 311.473 4.446 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000566344144 1044482630 /nfs/dbraw/zinc/48/26/30/1044482630.db2.gz OGZGUPLQYXVCRE-RISCZKNCSA-N 2 2 324.255 4.315 20 0 DIADLP CCc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000041631389 1044511946 /nfs/dbraw/zinc/51/19/46/1044511946.db2.gz HODBRDIDJSVNGR-BBRMVZONSA-N 2 2 305.491 4.273 20 0 DIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295846464 1044567743 /nfs/dbraw/zinc/56/77/43/1044567743.db2.gz DQTSTWAJXZFTAN-OHRKKDJYSA-N 2 2 322.880 4.015 20 0 DIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295846464 1044567755 /nfs/dbraw/zinc/56/77/55/1044567755.db2.gz DQTSTWAJXZFTAN-OHRKKDJYSA-N 2 2 322.880 4.015 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000568040594 1044599282 /nfs/dbraw/zinc/59/92/82/1044599282.db2.gz YPHHUGNHXXDICL-FXAWDEMLSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1ccc2c(Nc3cccc(OCC[NH+](C)C)c3)cccc2[nH+]1 ZINC001212808953 1044624762 /nfs/dbraw/zinc/62/47/62/1044624762.db2.gz OPQZKMXXRZVWQI-UHFFFAOYSA-N 2 2 321.424 4.227 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@@H]1c1ccccc1 ZINC000570384090 1044757006 /nfs/dbraw/zinc/75/70/06/1044757006.db2.gz YVHLAYCWJOAJCB-VQTJNVASSA-N 2 2 324.443 4.240 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C[C@@H]1c1ccccc1 ZINC000570384090 1044757023 /nfs/dbraw/zinc/75/70/23/1044757023.db2.gz YVHLAYCWJOAJCB-VQTJNVASSA-N 2 2 324.443 4.240 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCc3c4ccccc4sc31)C2 ZINC000571191465 1044800993 /nfs/dbraw/zinc/80/09/93/1044800993.db2.gz LSJDPVRRIRCVOS-WBMJQRKESA-N 2 2 323.465 4.149 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370671088 1044849607 /nfs/dbraw/zinc/84/96/07/1044849607.db2.gz MAURIGPYBWXFJZ-NUEKZKHPSA-N 2 2 322.880 4.016 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370671088 1044849626 /nfs/dbraw/zinc/84/96/26/1044849626.db2.gz MAURIGPYBWXFJZ-NUEKZKHPSA-N 2 2 322.880 4.016 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370671087 1044850093 /nfs/dbraw/zinc/85/00/93/1044850093.db2.gz MAURIGPYBWXFJZ-IMJJTQAJSA-N 2 2 322.880 4.016 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370671087 1044850112 /nfs/dbraw/zinc/85/01/12/1044850112.db2.gz MAURIGPYBWXFJZ-IMJJTQAJSA-N 2 2 322.880 4.016 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424727 1044899819 /nfs/dbraw/zinc/89/98/19/1044899819.db2.gz CISYCUPXLXZBLP-SJLPKXTDSA-N 2 2 309.457 4.160 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424727 1044899828 /nfs/dbraw/zinc/89/98/28/1044899828.db2.gz CISYCUPXLXZBLP-SJLPKXTDSA-N 2 2 309.457 4.160 20 0 DIADLP CC(C)(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000573647323 1044914188 /nfs/dbraw/zinc/91/41/88/1044914188.db2.gz KCUYJPYMADNFNJ-LIRRHRJNSA-N 2 2 323.440 4.390 20 0 DIADLP C[C@@H]1CCC[C@@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845298 1044928095 /nfs/dbraw/zinc/92/80/95/1044928095.db2.gz LZVMIHULPABXRN-IAGOWNOFSA-N 2 2 304.478 4.002 20 0 DIADLP C[C@@H]1CCC[C@@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845298 1044928111 /nfs/dbraw/zinc/92/81/11/1044928111.db2.gz LZVMIHULPABXRN-IAGOWNOFSA-N 2 2 304.478 4.002 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccsc3)cc2)c[nH+]1 ZINC000337632069 1044929607 /nfs/dbraw/zinc/92/96/07/1044929607.db2.gz POOGXGMLJGWHSZ-SFHVURJKSA-N 2 2 309.438 4.271 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccsc3)cc2)c[nH+]1 ZINC000337632069 1044929620 /nfs/dbraw/zinc/92/96/20/1044929620.db2.gz POOGXGMLJGWHSZ-SFHVURJKSA-N 2 2 309.438 4.271 20 0 DIADLP Fc1cccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000337640119 1044930762 /nfs/dbraw/zinc/93/07/62/1044930762.db2.gz WZSZSOKZQRAWJO-UHFFFAOYSA-N 2 2 321.399 4.176 20 0 DIADLP Fc1cccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000337640119 1044930770 /nfs/dbraw/zinc/93/07/70/1044930770.db2.gz WZSZSOKZQRAWJO-UHFFFAOYSA-N 2 2 321.399 4.176 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000524979996 1044958071 /nfs/dbraw/zinc/95/80/71/1044958071.db2.gz ILTVVTIDIVTASO-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000524979996 1044958082 /nfs/dbraw/zinc/95/80/82/1044958082.db2.gz ILTVVTIDIVTASO-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000524979996 1044958093 /nfs/dbraw/zinc/95/80/93/1044958093.db2.gz ILTVVTIDIVTASO-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000524979996 1044958105 /nfs/dbraw/zinc/95/81/05/1044958105.db2.gz ILTVVTIDIVTASO-CHWSQXEVSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000524979997 1044959629 /nfs/dbraw/zinc/95/96/29/1044959629.db2.gz ILTVVTIDIVTASO-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000524979997 1044959650 /nfs/dbraw/zinc/95/96/50/1044959650.db2.gz ILTVVTIDIVTASO-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000524979997 1044959664 /nfs/dbraw/zinc/95/96/64/1044959664.db2.gz ILTVVTIDIVTASO-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000524979997 1044959679 /nfs/dbraw/zinc/95/96/79/1044959679.db2.gz ILTVVTIDIVTASO-OLZOCXBDSA-N 2 2 315.288 4.328 20 0 DIADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151139625 1045016174 /nfs/dbraw/zinc/01/61/74/1045016174.db2.gz NTQOWMBEOSJYHU-OAHLLOKOSA-N 2 2 303.475 4.125 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151660475 1045030546 /nfs/dbraw/zinc/03/05/46/1045030546.db2.gz VCBAXMUZGKGLPV-XOBRGWDASA-N 2 2 321.399 4.350 20 0 DIADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000151715147 1045030871 /nfs/dbraw/zinc/03/08/71/1045030871.db2.gz QCWYCIBZOIUOQU-HOTGVXAUSA-N 2 2 323.444 4.062 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1Cl ZINC000447321431 1045120721 /nfs/dbraw/zinc/12/07/21/1045120721.db2.gz PCGYQSJPUXUCGN-YPMHNXCESA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1Cl ZINC000447321431 1045120724 /nfs/dbraw/zinc/12/07/24/1045120724.db2.gz PCGYQSJPUXUCGN-YPMHNXCESA-N 2 2 301.261 4.128 20 0 DIADLP CSc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000577644915 1045147013 /nfs/dbraw/zinc/14/70/13/1045147013.db2.gz SWEBGPPEUHRQKY-UHFFFAOYSA-N 2 2 320.527 4.082 20 0 DIADLP CSc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000577644915 1045147021 /nfs/dbraw/zinc/14/70/21/1045147021.db2.gz SWEBGPPEUHRQKY-UHFFFAOYSA-N 2 2 320.527 4.082 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355679 1045219967 /nfs/dbraw/zinc/21/99/67/1045219967.db2.gz HMBCOINAAMTLIB-UKRRQHHQSA-N 2 2 303.837 4.046 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000527355679 1045219976 /nfs/dbraw/zinc/21/99/76/1045219976.db2.gz HMBCOINAAMTLIB-UKRRQHHQSA-N 2 2 303.837 4.046 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccns1 ZINC000925081141 1045223848 /nfs/dbraw/zinc/22/38/48/1045223848.db2.gz YIXSUAJPIRNPKP-GJZGRUSLSA-N 2 2 315.486 4.019 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1csc2ccccc12 ZINC000925168388 1045233405 /nfs/dbraw/zinc/23/34/05/1045233405.db2.gz HACAWXTVUZFEQX-UONOGXRCSA-N 2 2 311.454 4.326 20 0 DIADLP CC[C@H](CCc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000527851896 1045268031 /nfs/dbraw/zinc/26/80/31/1045268031.db2.gz QFMMCMRFHPMASM-LJQANCHMSA-N 2 2 323.484 4.051 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000527863322 1045270465 /nfs/dbraw/zinc/27/04/65/1045270465.db2.gz JGNUTHSUBQKPFO-OALUTQOASA-N 2 2 311.473 4.070 20 0 DIADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000527893184 1045274130 /nfs/dbraw/zinc/27/41/30/1045274130.db2.gz IIHGJXNXKMWVNX-WTNGLUPJSA-N 2 2 322.855 4.073 20 0 DIADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000449077498 1045345148 /nfs/dbraw/zinc/34/51/48/1045345148.db2.gz JPFXGRUZZHBTTI-BUJABKPXSA-N 2 2 322.537 4.109 20 0 DIADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000449077498 1045345152 /nfs/dbraw/zinc/34/51/52/1045345152.db2.gz JPFXGRUZZHBTTI-BUJABKPXSA-N 2 2 322.537 4.109 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1coc3ccccc13)CCC2 ZINC000449166042 1045356646 /nfs/dbraw/zinc/35/66/46/1045356646.db2.gz BLGBZGBZQCXJLM-GOEBONIOSA-N 2 2 323.440 4.036 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC13CCCCC3)CCC2 ZINC000449166939 1045357197 /nfs/dbraw/zinc/35/71/97/1045357197.db2.gz HCZWJIGAEBZOPX-DLBZAZTESA-N 2 2 301.478 4.162 20 0 DIADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000120410147 1045472210 /nfs/dbraw/zinc/47/22/10/1045472210.db2.gz XZHHAEONZRZESL-INIZCTEOSA-N 2 2 312.457 4.212 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1Cl ZINC000450252877 1045479434 /nfs/dbraw/zinc/47/94/34/1045479434.db2.gz LAUNHOCFJYLOON-NWDGAFQWSA-N 2 2 319.811 4.066 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1Cl ZINC000450252877 1045479439 /nfs/dbraw/zinc/47/94/39/1045479439.db2.gz LAUNHOCFJYLOON-NWDGAFQWSA-N 2 2 319.811 4.066 20 0 DIADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450349940 1045493213 /nfs/dbraw/zinc/49/32/13/1045493213.db2.gz PSVNABSIFKXOOU-UHFFFAOYSA-N 2 2 318.783 4.034 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC001119597794 1045517284 /nfs/dbraw/zinc/51/72/84/1045517284.db2.gz FPBDCSUJBDZMQK-INIZCTEOSA-N 2 2 317.436 4.212 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CC(F)(F)C1)c1ccccc1 ZINC000628215652 1045546147 /nfs/dbraw/zinc/54/61/47/1045546147.db2.gz PPEIQTYQKMXYMB-UONOGXRCSA-N 2 2 310.432 4.139 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450714574 1045553163 /nfs/dbraw/zinc/55/31/63/1045553163.db2.gz VERLETZYAQBGND-HOCLYGCPSA-N 2 2 319.399 4.348 20 0 DIADLP c1cn(CCCC[NH2+]CC(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000392174393 1045635261 /nfs/dbraw/zinc/63/52/61/1045635261.db2.gz RMJIOIAXISLPOU-UHFFFAOYSA-N 2 2 319.452 4.085 20 0 DIADLP Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000629742027 1045708323 /nfs/dbraw/zinc/70/83/23/1045708323.db2.gz MASFPSKAPXXEPC-OAQYLSRUSA-N 2 2 317.436 4.331 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000237512417 1045799623 /nfs/dbraw/zinc/79/96/23/1045799623.db2.gz PCKFPJJZBFRYFX-INIZCTEOSA-N 2 2 321.468 4.387 20 0 DIADLP CCC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(C)ccn1 ZINC000631576634 1045874285 /nfs/dbraw/zinc/87/42/85/1045874285.db2.gz XBQJPQKLHXXCMO-QGZVFWFLSA-N 2 2 312.461 4.108 20 0 DIADLP CCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(C)ccn1 ZINC000631571923 1045875586 /nfs/dbraw/zinc/87/55/86/1045875586.db2.gz HTBYDQGCZUHPCK-SFHVURJKSA-N 2 2 320.440 4.207 20 0 DIADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531683585 1045896937 /nfs/dbraw/zinc/89/69/37/1045896937.db2.gz UVGRPCRWBZOLTA-VQTJNVASSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000531718371 1045910264 /nfs/dbraw/zinc/91/02/64/1045910264.db2.gz WRTMVYGJCCDJBO-WBVHZDCISA-N 2 2 318.505 4.052 20 0 DIADLP CCC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000453068517 1045915000 /nfs/dbraw/zinc/91/50/00/1045915000.db2.gz AZFVIXPLQNQFCC-GOSISDBHSA-N 2 2 313.489 4.278 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(Cl)c(F)c2)C2CCCC2)CC1 ZINC001137655464 1045921493 /nfs/dbraw/zinc/92/14/93/1045921493.db2.gz OTJXLTGONTZVQI-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(Cl)c(F)c2)C2CCCC2)CC1 ZINC001137655464 1045921503 /nfs/dbraw/zinc/92/15/03/1045921503.db2.gz OTJXLTGONTZVQI-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)cc1 ZINC000453245391 1046002079 /nfs/dbraw/zinc/00/20/79/1046002079.db2.gz FUVZJHKYEMNOHW-QAPCUYQASA-N 2 2 315.848 4.051 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000532214072 1046117318 /nfs/dbraw/zinc/11/73/18/1046117318.db2.gz SMDAQBNWYFNZEW-CVEARBPZSA-N 2 2 323.415 4.466 20 0 DIADLP C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903078654 1046157385 /nfs/dbraw/zinc/15/73/85/1046157385.db2.gz AFFFHSPLJQFOLY-ZDUSSCGKSA-N 2 2 307.388 4.204 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000102421542 1046188953 /nfs/dbraw/zinc/18/89/53/1046188953.db2.gz LBQIXIKHLAGGPY-LDADJPATSA-N 2 2 317.436 4.125 20 0 DIADLP C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903337009 1046249182 /nfs/dbraw/zinc/24/91/82/1046249182.db2.gz ATFOGDDZCBUYCD-FOIQADDNSA-N 2 2 318.424 4.069 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1cccnc1 ZINC000903379849 1046260661 /nfs/dbraw/zinc/26/06/61/1046260661.db2.gz ZKOVNQDHHHWWHQ-RTWAWAEBSA-N 2 2 323.484 4.205 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c(C)o1 ZINC000192181275 1046261323 /nfs/dbraw/zinc/26/13/23/1046261323.db2.gz IZWYCXZPIAQVFL-HNNXBMFYSA-N 2 2 309.413 4.241 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C2CC2)cc1 ZINC000903380156 1046261891 /nfs/dbraw/zinc/26/18/91/1046261891.db2.gz LBKBDBDTAQVWRM-SFTDATJTSA-N 2 2 323.484 4.124 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1cccnc1 ZINC000903379847 1046262043 /nfs/dbraw/zinc/26/20/43/1046262043.db2.gz ZKOVNQDHHHWWHQ-LEWJYISDSA-N 2 2 323.484 4.205 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1cccnc1 ZINC000903379848 1046262314 /nfs/dbraw/zinc/26/23/14/1046262314.db2.gz ZKOVNQDHHHWWHQ-NHCUHLMSSA-N 2 2 323.484 4.205 20 0 DIADLP CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903385223 1046263083 /nfs/dbraw/zinc/26/30/83/1046263083.db2.gz WHZXVJDZHJGQAO-WOJBJXKFSA-N 2 2 311.473 4.205 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)c2ccccc21 ZINC000903384662 1046263893 /nfs/dbraw/zinc/26/38/93/1046263893.db2.gz SMMOFHOQTZSGKH-MAODMQOUSA-N 2 2 323.484 4.303 20 0 DIADLP CC(C)[N@H+](Cc1c(Cl)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001138689225 1046271358 /nfs/dbraw/zinc/27/13/58/1046271358.db2.gz PCXRQCVEBOHZBI-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1c(Cl)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001138689225 1046271364 /nfs/dbraw/zinc/27/13/64/1046271364.db2.gz PCXRQCVEBOHZBI-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903428076 1046277103 /nfs/dbraw/zinc/27/71/03/1046277103.db2.gz CSEYUEPZSUHDGS-YWZLYKJASA-N 2 2 318.424 4.069 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2c(C)cccc2Cl)CC1 ZINC001138723371 1046279046 /nfs/dbraw/zinc/27/90/46/1046279046.db2.gz PKNJPYNUAOTFLA-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2c(C)cccc2Cl)CC1 ZINC001138723371 1046279057 /nfs/dbraw/zinc/27/90/57/1046279057.db2.gz PKNJPYNUAOTFLA-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP CCCCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138754259 1046288049 /nfs/dbraw/zinc/28/80/49/1046288049.db2.gz DBICBGVTEOKBPR-INIZCTEOSA-N 2 2 316.470 4.139 20 0 DIADLP CCCCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138754259 1046288062 /nfs/dbraw/zinc/28/80/62/1046288062.db2.gz DBICBGVTEOKBPR-INIZCTEOSA-N 2 2 316.470 4.139 20 0 DIADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CCCC2 ZINC000639343154 1046382163 /nfs/dbraw/zinc/38/21/63/1046382163.db2.gz GCFYUYOWWPRRBL-NQIIRXRSSA-N 2 2 321.468 4.303 20 0 DIADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CCCC2 ZINC000639343154 1046382179 /nfs/dbraw/zinc/38/21/79/1046382179.db2.gz GCFYUYOWWPRRBL-NQIIRXRSSA-N 2 2 321.468 4.303 20 0 DIADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)sc1C ZINC000623985866 1046389215 /nfs/dbraw/zinc/38/92/15/1046389215.db2.gz FLFLVRVAZWJMRG-HIFRSBDPSA-N 2 2 303.475 4.076 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC001168204444 1046419559 /nfs/dbraw/zinc/41/95/59/1046419559.db2.gz RFCPRLZEMFRBNU-UHFFFAOYSA-N 2 2 318.480 4.267 20 0 DIADLP CC1CCC([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001168221687 1046429759 /nfs/dbraw/zinc/42/97/59/1046429759.db2.gz LFACRUDLEAIVEY-UHFFFAOYSA-N 2 2 318.480 4.301 20 0 DIADLP CC1CCC([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001168221687 1046429761 /nfs/dbraw/zinc/42/97/61/1046429761.db2.gz LFACRUDLEAIVEY-UHFFFAOYSA-N 2 2 318.480 4.301 20 0 DIADLP CC[C@H](c1ccccc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361965 1046438102 /nfs/dbraw/zinc/43/81/02/1046438102.db2.gz FIHBBFZEZKWKEP-HXUWFJFHSA-N 2 2 305.425 4.455 20 0 DIADLP CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361965 1046438107 /nfs/dbraw/zinc/43/81/07/1046438107.db2.gz FIHBBFZEZKWKEP-HXUWFJFHSA-N 2 2 305.425 4.455 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641744780 1046510594 /nfs/dbraw/zinc/51/05/94/1046510594.db2.gz YSCXJPBJOSUHRK-ZIFCJYIRSA-N 2 2 315.505 4.165 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC001139843779 1046532622 /nfs/dbraw/zinc/53/26/22/1046532622.db2.gz GYGKSGQQOWKAKE-UHFFFAOYSA-N 2 2 322.477 4.335 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC001139843779 1046532625 /nfs/dbraw/zinc/53/26/25/1046532625.db2.gz GYGKSGQQOWKAKE-UHFFFAOYSA-N 2 2 322.477 4.335 20 0 DIADLP C[C@@H](CC[N@H+](C)Cc1ccsc1)[NH+](C)Cc1ccsc1 ZINC000677882611 1046533288 /nfs/dbraw/zinc/53/32/88/1046533288.db2.gz YCJSVSCNGCQWHT-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@@H](CC[N@@H+](C)Cc1ccsc1)[NH+](C)Cc1ccsc1 ZINC000677882611 1046533304 /nfs/dbraw/zinc/53/33/04/1046533304.db2.gz YCJSVSCNGCQWHT-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@@H](CC[NH+](C)Cc1ccsc1)[N@H+](C)Cc1ccsc1 ZINC000677882611 1046533316 /nfs/dbraw/zinc/53/33/16/1046533316.db2.gz YCJSVSCNGCQWHT-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@@H](CC[NH+](C)Cc1ccsc1)[N@@H+](C)Cc1ccsc1 ZINC000677882611 1046533328 /nfs/dbraw/zinc/53/33/28/1046533328.db2.gz YCJSVSCNGCQWHT-AWEZNQCLSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H](CC[N@H+](C)Cc1ccsc1)[NH+](C)Cc1ccsc1 ZINC000677882612 1046533681 /nfs/dbraw/zinc/53/36/81/1046533681.db2.gz YCJSVSCNGCQWHT-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H](CC[N@@H+](C)Cc1ccsc1)[NH+](C)Cc1ccsc1 ZINC000677882612 1046533690 /nfs/dbraw/zinc/53/36/90/1046533690.db2.gz YCJSVSCNGCQWHT-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H](CC[NH+](C)Cc1ccsc1)[N@H+](C)Cc1ccsc1 ZINC000677882612 1046533695 /nfs/dbraw/zinc/53/36/95/1046533695.db2.gz YCJSVSCNGCQWHT-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP C[C@H](CC[NH+](C)Cc1ccsc1)[N@@H+](C)Cc1ccsc1 ZINC000677882612 1046533711 /nfs/dbraw/zinc/53/37/11/1046533711.db2.gz YCJSVSCNGCQWHT-CQSZACIVSA-N 2 2 308.516 4.152 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC001202986263 1046553941 /nfs/dbraw/zinc/55/39/41/1046553941.db2.gz OWAXHUXTNBYGKK-DCFRIVOISA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC001202986263 1046553953 /nfs/dbraw/zinc/55/39/53/1046553953.db2.gz OWAXHUXTNBYGKK-DCFRIVOISA-N 2 2 312.501 4.232 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC001140027792 1046569904 /nfs/dbraw/zinc/56/99/04/1046569904.db2.gz ZIOWJHIDWKBIBA-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC001140027792 1046569918 /nfs/dbraw/zinc/56/99/18/1046569918.db2.gz ZIOWJHIDWKBIBA-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(O)c1 ZINC000194893665 1046588406 /nfs/dbraw/zinc/58/84/06/1046588406.db2.gz FRPWUQFNVGEHBS-IAGOWNOFSA-N 2 2 324.468 4.268 20 0 DIADLP Cc1ccccc1C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000237707794 1046595952 /nfs/dbraw/zinc/59/59/52/1046595952.db2.gz VRAYXTMDISIYRH-UHFFFAOYSA-N 2 2 317.436 4.217 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377487 1046599621 /nfs/dbraw/zinc/59/96/21/1046599621.db2.gz MEPQJMXBWDCFAK-CZTZKLFOSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)c(C)c1 ZINC000325377487 1046599634 /nfs/dbraw/zinc/59/96/34/1046599634.db2.gz MEPQJMXBWDCFAK-CZTZKLFOSA-N 2 2 322.496 4.465 20 0 DIADLP C[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000783598581 1046613470 /nfs/dbraw/zinc/61/34/70/1046613470.db2.gz JOVOZDXLQHQKNT-PBHICJAKSA-N 2 2 319.880 4.345 20 0 DIADLP CCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000533069265 1046648886 /nfs/dbraw/zinc/64/88/86/1046648886.db2.gz KKFDBXKJUQATAO-FQEVSTJZSA-N 2 2 323.440 4.186 20 0 DIADLP CC[C@@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000784537272 1046695494 /nfs/dbraw/zinc/69/54/94/1046695494.db2.gz FRSXRVDMNLXYDW-GOSISDBHSA-N 2 2 311.454 4.349 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533426209 1046721344 /nfs/dbraw/zinc/72/13/44/1046721344.db2.gz PSLCWDBPNQMASH-LPHOPBHVSA-N 2 2 322.443 4.366 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533426209 1046721358 /nfs/dbraw/zinc/72/13/58/1046721358.db2.gz PSLCWDBPNQMASH-LPHOPBHVSA-N 2 2 322.443 4.366 20 0 DIADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccccc2C2CC2)c[nH+]1 ZINC000678881377 1046725484 /nfs/dbraw/zinc/72/54/84/1046725484.db2.gz IRYWHTGSRDHUQN-UHFFFAOYSA-N 2 2 317.436 4.099 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001211993747 1046745506 /nfs/dbraw/zinc/74/55/06/1046745506.db2.gz DISLCVHIIDRGTO-UHFFFAOYSA-N 2 2 320.440 4.458 20 0 DIADLP CC(C)[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000796869941 1046750092 /nfs/dbraw/zinc/75/00/92/1046750092.db2.gz PAQOFDXOWJZTHI-UXHICEINSA-N 2 2 315.505 4.064 20 0 DIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(Cl)o3)CC2)C1 ZINC000678997458 1046751993 /nfs/dbraw/zinc/75/19/93/1046751993.db2.gz JIOQJDCQASMKIF-DZGCQCFKSA-N 2 2 310.869 4.066 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccoc1 ZINC000248177948 1046835864 /nfs/dbraw/zinc/83/58/64/1046835864.db2.gz VWQNLKMBKLMREJ-JJRVBVJISA-N 2 2 304.459 4.075 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccoc1 ZINC000248177948 1046835880 /nfs/dbraw/zinc/83/58/80/1046835880.db2.gz VWQNLKMBKLMREJ-JJRVBVJISA-N 2 2 304.459 4.075 20 0 DIADLP Fc1cccc(F)c1[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805822 1046908290 /nfs/dbraw/zinc/90/82/90/1046908290.db2.gz MEAVZOFBHZPUGH-QGZVFWFLSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1cccc(F)c1[C@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805822 1046908300 /nfs/dbraw/zinc/90/83/00/1046908300.db2.gz MEAVZOFBHZPUGH-QGZVFWFLSA-N 2 2 313.351 4.178 20 0 DIADLP COc1cccc([C@@H]2CCCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807193 1046911728 /nfs/dbraw/zinc/91/17/28/1046911728.db2.gz QBWKCXMZHUFGFH-FQEVSTJZSA-N 2 2 321.424 4.299 20 0 DIADLP COc1cccc([C@@H]2CCCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140807193 1046911741 /nfs/dbraw/zinc/91/17/41/1046911741.db2.gz QBWKCXMZHUFGFH-FQEVSTJZSA-N 2 2 321.424 4.299 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1Cc1ccccc1 ZINC000379621100 1047080592 /nfs/dbraw/zinc/08/05/92/1047080592.db2.gz DZTWHHBRZKLUCC-GOEBONIOSA-N 2 2 318.848 4.076 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000379621100 1047080606 /nfs/dbraw/zinc/08/06/06/1047080606.db2.gz DZTWHHBRZKLUCC-GOEBONIOSA-N 2 2 318.848 4.076 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536868074 1047116278 /nfs/dbraw/zinc/11/62/78/1047116278.db2.gz GWUFFWFDDFAFIU-NBHGPNQESA-N 2 2 317.436 4.154 20 0 DIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080932977 1047122708 /nfs/dbraw/zinc/12/27/08/1047122708.db2.gz KQIVBOVUERKTOT-INIZCTEOSA-N 2 2 321.424 4.161 20 0 DIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080932977 1047122718 /nfs/dbraw/zinc/12/27/18/1047122718.db2.gz KQIVBOVUERKTOT-INIZCTEOSA-N 2 2 321.424 4.161 20 0 DIADLP Fc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000536962557 1047125968 /nfs/dbraw/zinc/12/59/68/1047125968.db2.gz VAGDFSUINSCNHN-LJQANCHMSA-N 2 2 315.436 4.324 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116398932 1047135888 /nfs/dbraw/zinc/13/58/88/1047135888.db2.gz KUDPIUJFXTXQMN-CABCVRRESA-N 2 2 317.864 4.089 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116398932 1047135891 /nfs/dbraw/zinc/13/58/91/1047135891.db2.gz KUDPIUJFXTXQMN-CABCVRRESA-N 2 2 317.864 4.089 20 0 DIADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCCC2)o1 ZINC000537166318 1047145419 /nfs/dbraw/zinc/14/54/19/1047145419.db2.gz ARQNOSJUZOKMHP-IBGZPJMESA-N 2 2 302.462 4.036 20 0 DIADLP CCC[C@@H](C)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537205128 1047152058 /nfs/dbraw/zinc/15/20/58/1047152058.db2.gz VFIOQJLIGXPAKS-QGZVFWFLSA-N 2 2 303.494 4.056 20 0 DIADLP CCC[C@@H](C)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537205128 1047152062 /nfs/dbraw/zinc/15/20/62/1047152062.db2.gz VFIOQJLIGXPAKS-QGZVFWFLSA-N 2 2 303.494 4.056 20 0 DIADLP c1cn(CCC[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)c[nH+]1 ZINC000537246070 1047155848 /nfs/dbraw/zinc/15/58/48/1047155848.db2.gz DHLDMVOLWUPSJS-HXUWFJFHSA-N 2 2 311.473 4.151 20 0 DIADLP c1cn(CCC[N@H+]2CCCC[C@@H]2CCCc2ccccc2)c[nH+]1 ZINC000537246070 1047155852 /nfs/dbraw/zinc/15/58/52/1047155852.db2.gz DHLDMVOLWUPSJS-HXUWFJFHSA-N 2 2 311.473 4.151 20 0 DIADLP CC(C)Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000325489006 1047192997 /nfs/dbraw/zinc/19/29/97/1047192997.db2.gz MXUBFKZMROAQKS-UHFFFAOYSA-N 2 2 323.484 4.039 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000682732468 1047217816 /nfs/dbraw/zinc/21/78/16/1047217816.db2.gz IZVQQXLCMRFODK-ZBFHGGJFSA-N 2 2 302.453 4.053 20 0 DIADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000682732468 1047217832 /nfs/dbraw/zinc/21/78/32/1047217832.db2.gz IZVQQXLCMRFODK-ZBFHGGJFSA-N 2 2 302.453 4.053 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000682732453 1047218696 /nfs/dbraw/zinc/21/86/96/1047218696.db2.gz IZVQQXLCMRFODK-GDBMZVCRSA-N 2 2 302.453 4.053 20 0 DIADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000682732453 1047218709 /nfs/dbraw/zinc/21/87/09/1047218709.db2.gz IZVQQXLCMRFODK-GDBMZVCRSA-N 2 2 302.453 4.053 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)c2ccccc21 ZINC000650741788 1047276805 /nfs/dbraw/zinc/27/68/05/1047276805.db2.gz LOWBQPHHBRWCCP-QZTJIDSGSA-N 2 2 312.844 4.454 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(OC)cc1 ZINC000390264675 1047295954 /nfs/dbraw/zinc/29/59/54/1047295954.db2.gz IRZTTWQUVDXOTJ-ROUUACIJSA-N 2 2 315.461 4.047 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000045105600 1047358322 /nfs/dbraw/zinc/35/83/22/1047358322.db2.gz HRVWCANZRXGTEW-GFCCVEGCSA-N 2 2 312.244 4.321 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000107820666 1047384943 /nfs/dbraw/zinc/38/49/43/1047384943.db2.gz ZLZRFBDYEAXMIQ-UHFFFAOYSA-N 2 2 323.484 4.138 20 0 DIADLP C[N@H+](C1CCC(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001168341212 1047508584 /nfs/dbraw/zinc/50/85/84/1047508584.db2.gz HIJMALGYEPBKCH-UHFFFAOYSA-N 2 2 320.908 4.392 20 0 DIADLP C[N@@H+](C1CCC(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001168341212 1047508590 /nfs/dbraw/zinc/50/85/90/1047508590.db2.gz HIJMALGYEPBKCH-UHFFFAOYSA-N 2 2 320.908 4.392 20 0 DIADLP Cc1ccoc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694607 1047577046 /nfs/dbraw/zinc/57/70/46/1047577046.db2.gz OYYCFJPJNPQRKO-UXHICEINSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000537694607 1047577050 /nfs/dbraw/zinc/57/70/50/1047577050.db2.gz OYYCFJPJNPQRKO-UXHICEINSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000537694607 1047577055 /nfs/dbraw/zinc/57/70/55/1047577055.db2.gz OYYCFJPJNPQRKO-UXHICEINSA-N 2 2 324.468 4.075 20 0 DIADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000537694607 1047577058 /nfs/dbraw/zinc/57/70/58/1047577058.db2.gz OYYCFJPJNPQRKO-UXHICEINSA-N 2 2 324.468 4.075 20 0 DIADLP C(=C\[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268246 1047665521 /nfs/dbraw/zinc/66/55/21/1047665521.db2.gz DAWSYRQFXNNLQP-ZCPJJFRWSA-N 2 2 309.457 4.231 20 0 DIADLP C(=C\[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268246 1047665526 /nfs/dbraw/zinc/66/55/26/1047665526.db2.gz DAWSYRQFXNNLQP-ZCPJJFRWSA-N 2 2 309.457 4.231 20 0 DIADLP Cn1ccc2c1cc[nH+]c2NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001155955742 1047692622 /nfs/dbraw/zinc/69/26/22/1047692622.db2.gz FKCIYTDUXAHHDR-UHFFFAOYSA-N 2 2 308.429 4.179 20 0 DIADLP Cc1cccc2c(C)cc(N3CCC(C)([NH+]4CCCC4)CC3)[nH+]c12 ZINC001157652457 1047747851 /nfs/dbraw/zinc/74/78/51/1047747851.db2.gz QCHBSWLLKJEJKG-UHFFFAOYSA-N 2 2 323.484 4.306 20 0 DIADLP Cc1cc2ccccc2c(N2C[C@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001157742942 1047752476 /nfs/dbraw/zinc/75/24/76/1047752476.db2.gz FSRQBWSKOJYVDA-INIZCTEOSA-N 2 2 303.409 4.127 20 0 DIADLP CC(C)(C)CN(c1cc(-c2ccccc2)cc[nH+]1)C1CC[NH2+]CC1 ZINC001157884176 1047761725 /nfs/dbraw/zinc/76/17/25/1047761725.db2.gz OOXGARIGGFEYKK-UHFFFAOYSA-N 2 2 323.484 4.353 20 0 DIADLP CCSc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158271485 1047773343 /nfs/dbraw/zinc/77/33/43/1047773343.db2.gz HRMIXVRVNPVRNA-SUMWQHHRSA-N 2 2 307.507 4.149 20 0 DIADLP c1cc(C2CC[NH2+]CC2)ccc1Nc1ccc([NH+]2CCCC2)cc1 ZINC001159442883 1047845670 /nfs/dbraw/zinc/84/56/70/1047845670.db2.gz CPESSXWRFCFCEE-UHFFFAOYSA-N 2 2 321.468 4.497 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001182845442 1047848316 /nfs/dbraw/zinc/84/83/16/1047848316.db2.gz SWHUXAKQDBRBJD-PREGVCBESA-N 2 2 306.881 4.048 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001182845442 1047848334 /nfs/dbraw/zinc/84/83/34/1047848334.db2.gz SWHUXAKQDBRBJD-PREGVCBESA-N 2 2 306.881 4.048 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cc(F)ccc1F ZINC000479386014 1047879675 /nfs/dbraw/zinc/87/96/75/1047879675.db2.gz GZWYOPCGKDFIRE-GOSISDBHSA-N 2 2 310.432 4.124 20 0 DIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066350 1047890601 /nfs/dbraw/zinc/89/06/01/1047890601.db2.gz YCEAHDVYUUMFIB-DYVFJYSZSA-N 2 2 312.860 4.031 20 0 DIADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001183066350 1047890614 /nfs/dbraw/zinc/89/06/14/1047890614.db2.gz YCEAHDVYUUMFIB-DYVFJYSZSA-N 2 2 312.860 4.031 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000479542572 1047923124 /nfs/dbraw/zinc/92/31/24/1047923124.db2.gz PKQFNAYPEVUMRT-KRWDZBQOSA-N 2 2 315.848 4.204 20 0 DIADLP CC(C)CC[C@@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001183526045 1047935751 /nfs/dbraw/zinc/93/57/51/1047935751.db2.gz KBRABPQVQKZQQT-YLJYHZDGSA-N 2 2 315.505 4.208 20 0 DIADLP CC(C)CC[C@@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001183526045 1047935760 /nfs/dbraw/zinc/93/57/60/1047935760.db2.gz KBRABPQVQKZQQT-YLJYHZDGSA-N 2 2 315.505 4.208 20 0 DIADLP CC(C)c1cnc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000479606584 1047939037 /nfs/dbraw/zinc/93/90/37/1047939037.db2.gz RRGUUDUQORBLMF-UHFFFAOYSA-N 2 2 323.550 4.401 20 0 DIADLP CN(c1ccc(Nc2ccccc2CC[NH3+])c[nH+]1)C1CCCCC1 ZINC001159998436 1047965313 /nfs/dbraw/zinc/96/53/13/1047965313.db2.gz ZYULLCUQSCNCNF-UHFFFAOYSA-N 2 2 324.472 4.095 20 0 DIADLP CC[C@H]1CCCC[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001183864001 1047978240 /nfs/dbraw/zinc/97/82/40/1047978240.db2.gz IJRJXZOJRAGKGC-IRXDYDNUSA-N 2 2 301.478 4.174 20 0 DIADLP Cc1ccc2c(Nc3ccccc3O[C@@H]3CC[NH2+]C3)cccc2[nH+]1 ZINC001160167146 1047987902 /nfs/dbraw/zinc/98/79/02/1047987902.db2.gz MTWFZCVUFDDSBD-OAHLLOKOSA-N 2 2 319.408 4.028 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160220815 1048003532 /nfs/dbraw/zinc/00/35/32/1048003532.db2.gz ZYGHEMDKEKDBKR-IBGZPJMESA-N 2 2 323.440 4.142 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198772104 1048007244 /nfs/dbraw/zinc/00/72/44/1048007244.db2.gz YOOZKTWFIDDLOE-CYBMUJFWSA-N 2 2 303.837 4.014 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184253532 1048017805 /nfs/dbraw/zinc/01/78/05/1048017805.db2.gz WZKDZHYDZKBXDS-LJQANCHMSA-N 2 2 302.506 4.109 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184253532 1048017824 /nfs/dbraw/zinc/01/78/24/1048017824.db2.gz WZKDZHYDZKBXDS-LJQANCHMSA-N 2 2 302.506 4.109 20 0 DIADLP Cc1ccc(-c2cccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)c2)cc1 ZINC001199208315 1048042653 /nfs/dbraw/zinc/04/26/53/1048042653.db2.gz OYGXJLIRIZNCNH-QGZVFWFLSA-N 2 2 305.425 4.037 20 0 DIADLP CCC1CCC([NH2+]C[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC001199188396 1048042692 /nfs/dbraw/zinc/04/26/92/1048042692.db2.gz BGJSLZSZMCWREU-DQVLVPHSSA-N 2 2 316.533 4.498 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1csc(C(F)(F)F)c1 ZINC000924733915 1048061581 /nfs/dbraw/zinc/06/15/81/1048061581.db2.gz WFYCBWHWXKYDRD-NSHDSACASA-N 2 2 317.380 4.094 20 0 DIADLP c1[nH]c2c(cccc2Nc2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC001213030688 1048113559 /nfs/dbraw/zinc/11/35/59/1048113559.db2.gz MONYVFKUBVUECE-UHFFFAOYSA-N 2 2 306.413 4.292 20 0 DIADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1 ZINC001175120843 1048152090 /nfs/dbraw/zinc/15/20/90/1048152090.db2.gz PNTPUGLVFPMABR-UHFFFAOYSA-N 2 2 318.505 4.170 20 0 DIADLP CCS[C@@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001200924048 1048158485 /nfs/dbraw/zinc/15/84/85/1048158485.db2.gz YTUKQKNFTOFWPB-DZGCQCFKSA-N 2 2 321.515 4.088 20 0 DIADLP c1sc(C[NH2+]CCCNc2cccc[nH+]2)cc1-c1ccccc1 ZINC001200902534 1048161499 /nfs/dbraw/zinc/16/14/99/1048161499.db2.gz TZNKYHVGWHTMFS-UHFFFAOYSA-N 2 2 323.465 4.402 20 0 DIADLP C[NH+](C)CCCCNc1[nH+]ccc2cccc(C(F)(F)F)c21 ZINC001161724233 1048162294 /nfs/dbraw/zinc/16/22/94/1048162294.db2.gz BSUPEGZWYBKYOG-UHFFFAOYSA-N 2 2 311.351 4.007 20 0 DIADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1=CCCCC1 ZINC000480689706 1048217756 /nfs/dbraw/zinc/21/77/56/1048217756.db2.gz ONYSZEDFRILRRA-UHFFFAOYSA-N 2 2 313.489 4.167 20 0 DIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc2ccccc21 ZINC000480777927 1048243319 /nfs/dbraw/zinc/24/33/19/1048243319.db2.gz VTWWXBIDAKTRQB-INIZCTEOSA-N 2 2 319.452 4.266 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776158687 1048243917 /nfs/dbraw/zinc/24/39/17/1048243917.db2.gz SYUYJHHGDCZISA-ZWKOTPCHSA-N 2 2 315.436 4.104 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776158684 1048244178 /nfs/dbraw/zinc/24/41/78/1048244178.db2.gz SYUYJHHGDCZISA-QZTJIDSGSA-N 2 2 315.436 4.104 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001201427434 1048263169 /nfs/dbraw/zinc/26/31/69/1048263169.db2.gz NDDZGYZYCHZPBR-KRWDZBQOSA-N 2 2 316.464 4.078 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001201427434 1048263182 /nfs/dbraw/zinc/26/31/82/1048263182.db2.gz NDDZGYZYCHZPBR-KRWDZBQOSA-N 2 2 316.464 4.078 20 0 DIADLP Cc1c[nH+]c(NCC[PH+](C(C)C)C(C)C)nc1N1CCCC1 ZINC001162357903 1048266192 /nfs/dbraw/zinc/26/61/92/1048266192.db2.gz PVFLKTUJISLCQT-UHFFFAOYSA-N 2 2 322.437 4.096 20 0 DIADLP CC[C@H](C)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201508597 1048292304 /nfs/dbraw/zinc/29/23/04/1048292304.db2.gz HNAMBQNNIVFPKH-AWEZNQCLSA-N 2 2 309.413 4.040 20 0 DIADLP CCC(CC)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001201534651 1048299517 /nfs/dbraw/zinc/29/95/17/1048299517.db2.gz MJAPKDFXEZWXBA-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP CCC(CC)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001201534651 1048299531 /nfs/dbraw/zinc/29/95/31/1048299531.db2.gz MJAPKDFXEZWXBA-UHFFFAOYSA-N 2 2 306.469 4.158 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2occc2c1 ZINC001201842707 1048386561 /nfs/dbraw/zinc/38/65/61/1048386561.db2.gz OXAXJAWGQDFGCJ-UHFFFAOYSA-N 2 2 322.452 4.433 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2occc2c1 ZINC001201842707 1048386575 /nfs/dbraw/zinc/38/65/75/1048386575.db2.gz OXAXJAWGQDFGCJ-UHFFFAOYSA-N 2 2 322.452 4.433 20 0 DIADLP C[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929558 1048395990 /nfs/dbraw/zinc/39/59/90/1048395990.db2.gz NQKLGHCJYORPAK-GHTZIAJQSA-N 2 2 322.496 4.433 20 0 DIADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929558 1048395998 /nfs/dbraw/zinc/39/59/98/1048395998.db2.gz NQKLGHCJYORPAK-GHTZIAJQSA-N 2 2 322.496 4.433 20 0 DIADLP Cc1ccc2c(c1)[C@H](Nc1c[nH+]cc(C)c1C)CC21CC[NH2+]CC1 ZINC001163033549 1048405797 /nfs/dbraw/zinc/40/57/97/1048405797.db2.gz HHTWBUUAJFJPSP-LJQANCHMSA-N 2 2 321.468 4.185 20 0 DIADLP C[NH+](C)CC1CCC(Nc2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001163298534 1048448228 /nfs/dbraw/zinc/44/82/28/1048448228.db2.gz FSSNKDGCDIDSAO-UHFFFAOYSA-N 2 2 309.457 4.281 20 0 DIADLP CC(C)c1ccc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH+]c1 ZINC001163318889 1048450037 /nfs/dbraw/zinc/45/00/37/1048450037.db2.gz AZRYKWZOKLIRBB-KRWDZBQOSA-N 2 2 313.489 4.438 20 0 DIADLP c1cc(-c2ccc3c(C4C[NH+](CC5CCCC5)C4)[nH+]cn3c2)co1 ZINC001202167704 1048468862 /nfs/dbraw/zinc/46/88/62/1048468862.db2.gz SPKDBWMUKIBJSR-UHFFFAOYSA-N 2 2 321.424 4.184 20 0 DIADLP C1=C2CCC[N@@H+](CC3CCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001202178163 1048472030 /nfs/dbraw/zinc/47/20/30/1048472030.db2.gz KXBFSDUIPFNTFM-DOIPELPJSA-N 2 2 314.517 4.072 20 0 DIADLP C1=C2CCC[N@H+](CC3CCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001202178163 1048472037 /nfs/dbraw/zinc/47/20/37/1048472037.db2.gz KXBFSDUIPFNTFM-DOIPELPJSA-N 2 2 314.517 4.072 20 0 DIADLP C1=C2CCC[NH+](CC3CCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001202178163 1048472043 /nfs/dbraw/zinc/47/20/43/1048472043.db2.gz KXBFSDUIPFNTFM-DOIPELPJSA-N 2 2 314.517 4.072 20 0 DIADLP C1=C2CCC[NH+](CC3CCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001202178163 1048472049 /nfs/dbraw/zinc/47/20/49/1048472049.db2.gz KXBFSDUIPFNTFM-DOIPELPJSA-N 2 2 314.517 4.072 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001202300199 1048515369 /nfs/dbraw/zinc/51/53/69/1048515369.db2.gz VPQOPRSJKGIOGM-IRUYWQDXSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001202300199 1048515381 /nfs/dbraw/zinc/51/53/81/1048515381.db2.gz VPQOPRSJKGIOGM-IRUYWQDXSA-N 2 2 312.501 4.232 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000481972105 1048537542 /nfs/dbraw/zinc/53/75/42/1048537542.db2.gz JDDQINJSERQBRR-CQSZACIVSA-N 2 2 324.896 4.264 20 0 DIADLP Cc1[nH+]ccn1CCNc1cc(C)c2cccc(C(C)C)c2[nH+]1 ZINC001163920232 1048549830 /nfs/dbraw/zinc/54/98/30/1048549830.db2.gz WGKVAPGZRHEYPF-UHFFFAOYSA-N 2 2 308.429 4.284 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000482246901 1048576767 /nfs/dbraw/zinc/57/67/67/1048576767.db2.gz UPNMMIHYRAVNBX-AWEZNQCLSA-N 2 2 303.837 4.278 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1Cl ZINC000482267621 1048578471 /nfs/dbraw/zinc/57/84/71/1048578471.db2.gz PWNZDTHUBUDTMA-ZDUSSCGKSA-N 2 2 321.827 4.417 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C(C)(C)c1ccccc1 ZINC000482271873 1048581528 /nfs/dbraw/zinc/58/15/28/1048581528.db2.gz UWSOSZINFMQRHL-KRWDZBQOSA-N 2 2 311.473 4.230 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000162919388 1048602260 /nfs/dbraw/zinc/60/22/60/1048602260.db2.gz OOTASNLTEQDJCV-AWEZNQCLSA-N 2 2 303.475 4.248 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c[nH+]c1C ZINC001164491781 1048633902 /nfs/dbraw/zinc/63/39/02/1048633902.db2.gz GGROGZWRTPXDQG-HMXCVIKNSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c[nH+]c1C ZINC001164491781 1048633910 /nfs/dbraw/zinc/63/39/10/1048633910.db2.gz GGROGZWRTPXDQG-HMXCVIKNSA-N 2 2 321.468 4.021 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000775375524 1048720127 /nfs/dbraw/zinc/72/01/27/1048720127.db2.gz KIRUCQFVBBMXIF-MSOLQXFVSA-N 2 2 315.436 4.104 20 0 DIADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC(F)(F)C1 ZINC001205517382 1048736977 /nfs/dbraw/zinc/73/69/77/1048736977.db2.gz ODZQIYUEGFPEQG-OAHLLOKOSA-N 2 2 314.464 4.056 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000483131204 1048742223 /nfs/dbraw/zinc/74/22/23/1048742223.db2.gz ZJIRITHEHUFDJO-AWEZNQCLSA-N 2 2 311.454 4.347 20 0 DIADLP CC1(C)C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000483156418 1048750516 /nfs/dbraw/zinc/75/05/16/1048750516.db2.gz YXCPYMDXQZORRG-FQEVSTJZSA-N 2 2 317.436 4.385 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)cc2)c[nH+]1 ZINC001190977788 1048812057 /nfs/dbraw/zinc/81/20/57/1048812057.db2.gz VCZXFGJBJHKXEC-FQEVSTJZSA-N 2 2 307.441 4.195 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)cc2)c[nH+]1 ZINC001190977788 1048812072 /nfs/dbraw/zinc/81/20/72/1048812072.db2.gz VCZXFGJBJHKXEC-FQEVSTJZSA-N 2 2 307.441 4.195 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000483513617 1048812917 /nfs/dbraw/zinc/81/29/17/1048812917.db2.gz NSPBUAHMIFIOCD-KRWDZBQOSA-N 2 2 305.425 4.374 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000483513617 1048812935 /nfs/dbraw/zinc/81/29/35/1048812935.db2.gz NSPBUAHMIFIOCD-KRWDZBQOSA-N 2 2 305.425 4.374 20 0 DIADLP Cc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001203149676 1048813824 /nfs/dbraw/zinc/81/38/24/1048813824.db2.gz SNQZGIQCHFKCAP-QGZVFWFLSA-N 2 2 306.881 4.145 20 0 DIADLP Cc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001203149676 1048813845 /nfs/dbraw/zinc/81/38/45/1048813845.db2.gz SNQZGIQCHFKCAP-QGZVFWFLSA-N 2 2 306.881 4.145 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001177061526 1048820561 /nfs/dbraw/zinc/82/05/61/1048820561.db2.gz OVVZOTAFWIFHHL-MISYRCLQSA-N 2 2 300.490 4.239 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251857663 1048842819 /nfs/dbraw/zinc/84/28/19/1048842819.db2.gz SKXRZRVWHRHKTP-UEKVPHQBSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251857663 1048842848 /nfs/dbraw/zinc/84/28/48/1048842848.db2.gz SKXRZRVWHRHKTP-UEKVPHQBSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](CC)CC)C1 ZINC001177222417 1048850078 /nfs/dbraw/zinc/85/00/78/1048850078.db2.gz JQGFKCGDNVOVIR-HMXCVIKNSA-N 2 2 316.533 4.498 20 0 DIADLP CCc1[nH]c(C[NH+]2CCC3(CCc4ccc(C)cc43)CC2)c(C)[nH+]1 ZINC001203241467 1048850751 /nfs/dbraw/zinc/85/07/51/1048850751.db2.gz UMFHYYHDBJCTCO-UHFFFAOYSA-N 2 2 323.484 4.069 20 0 DIADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251899908 1048855212 /nfs/dbraw/zinc/85/52/12/1048855212.db2.gz WSTISFRHRYCVIF-UEKVPHQBSA-N 2 2 301.261 4.114 20 0 DIADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251899908 1048855230 /nfs/dbraw/zinc/85/52/30/1048855230.db2.gz WSTISFRHRYCVIF-UEKVPHQBSA-N 2 2 301.261 4.114 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)oc2cc1C ZINC000483748137 1048855558 /nfs/dbraw/zinc/85/55/58/1048855558.db2.gz WSVIZQJLOBQEOE-VYDXJSESSA-N 2 2 300.446 4.183 20 0 DIADLP Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)oc2cc1C ZINC000483748137 1048855572 /nfs/dbraw/zinc/85/55/72/1048855572.db2.gz WSVIZQJLOBQEOE-VYDXJSESSA-N 2 2 300.446 4.183 20 0 DIADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000163256279 1048865452 /nfs/dbraw/zinc/86/54/52/1048865452.db2.gz VUHZEWGTWQHDKB-UWVGGRQHSA-N 2 2 307.290 4.047 20 0 DIADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000163256279 1048865437 /nfs/dbraw/zinc/86/54/37/1048865437.db2.gz VUHZEWGTWQHDKB-UWVGGRQHSA-N 2 2 307.290 4.047 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC1(C)C ZINC001203389979 1048891396 /nfs/dbraw/zinc/89/13/96/1048891396.db2.gz PANZVNOUSUUMIX-GFCCVEGCSA-N 2 2 319.251 4.095 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC1(C)C ZINC001203389979 1048891410 /nfs/dbraw/zinc/89/14/10/1048891410.db2.gz PANZVNOUSUUMIX-GFCCVEGCSA-N 2 2 319.251 4.095 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc2ccccc21 ZINC000484284652 1048917813 /nfs/dbraw/zinc/91/78/13/1048917813.db2.gz SWPJMZXOEKHFBH-MRXNPFEDSA-N 2 2 305.425 4.388 20 0 DIADLP COc1ccc2c(Nc3cccc(-n4cc[nH+]c4)c3)cc[nH+]c2c1 ZINC001203526435 1048922575 /nfs/dbraw/zinc/92/25/75/1048922575.db2.gz XBYIZHRJCSBNHA-UHFFFAOYSA-N 2 2 316.364 4.173 20 0 DIADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCCCC(C)C ZINC001203547890 1048926445 /nfs/dbraw/zinc/92/64/45/1048926445.db2.gz KJZTZYIHXMVEOD-UHFFFAOYSA-N 2 2 316.493 4.226 20 0 DIADLP c1cc(Nc2ccc([NH+]3CCCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC001203718273 1048976214 /nfs/dbraw/zinc/97/62/14/1048976214.db2.gz ZIBZPGJGVJXZIL-UHFFFAOYSA-N 2 2 322.456 4.416 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)c[nH+]1 ZINC000078303337 1049012901 /nfs/dbraw/zinc/01/29/01/1049012901.db2.gz HZBBSBJERXIFBT-FQEVSTJZSA-N 2 2 303.409 4.113 20 0 DIADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC001178412505 1049036849 /nfs/dbraw/zinc/03/68/49/1049036849.db2.gz VNLMJIHTEJDBHC-UHFFFAOYSA-N 2 2 320.908 4.393 20 0 DIADLP c1cn2cccc(Nc3cccc(C[NH+]4CCCCC4)c3)c2[nH+]1 ZINC001204087743 1049081958 /nfs/dbraw/zinc/08/19/58/1049081958.db2.gz UAVMKZZQBSRDKJ-UHFFFAOYSA-N 2 2 306.413 4.064 20 0 DIADLP CC(C)[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204165180 1049101770 /nfs/dbraw/zinc/10/17/70/1049101770.db2.gz SCZLHCPDRXBSKD-UHFFFAOYSA-N 2 2 314.395 4.010 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204165180 1049101774 /nfs/dbraw/zinc/10/17/74/1049101774.db2.gz SCZLHCPDRXBSKD-UHFFFAOYSA-N 2 2 314.395 4.010 20 0 DIADLP Cc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001204174476 1049104012 /nfs/dbraw/zinc/10/40/12/1049104012.db2.gz SSGZEFRRKPSLCK-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP Cc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001204174476 1049104020 /nfs/dbraw/zinc/10/40/20/1049104020.db2.gz SSGZEFRRKPSLCK-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP C[C@H]1C[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](C)C1 ZINC001179111424 1049133732 /nfs/dbraw/zinc/13/37/32/1049133732.db2.gz ZSPOBFJUXFOYOB-FICVDOATSA-N 2 2 303.475 4.096 20 0 DIADLP Cc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C)C1 ZINC001192793119 1049137362 /nfs/dbraw/zinc/13/73/62/1049137362.db2.gz WRYVGEUGGGNCLY-YVWKXTFCSA-N 2 2 311.473 4.349 20 0 DIADLP CCc1ccccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001179232794 1049145776 /nfs/dbraw/zinc/14/57/76/1049145776.db2.gz SPQXZSTZABMWCX-FQEVSTJZSA-N 2 2 319.452 4.056 20 0 DIADLP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001179314674 1049154172 /nfs/dbraw/zinc/15/41/72/1049154172.db2.gz CZLFOXIHBCEJEL-ICSRJNTNSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001179314674 1049154180 /nfs/dbraw/zinc/15/41/80/1049154180.db2.gz CZLFOXIHBCEJEL-ICSRJNTNSA-N 2 2 300.490 4.177 20 0 DIADLP CCCCC1([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC001179763427 1049205144 /nfs/dbraw/zinc/20/51/44/1049205144.db2.gz HEUYOSSPBPFQNX-UHFFFAOYSA-N 2 2 315.505 4.034 20 0 DIADLP Cn1c[nH+]c2cc(Nc3ccc(C[NH2+]C(C)(C)C)cc3)ccc21 ZINC001204700193 1049231860 /nfs/dbraw/zinc/23/18/60/1049231860.db2.gz NHNDXKDOSWACRN-UHFFFAOYSA-N 2 2 308.429 4.205 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)C1CC[NH+](C)CC1 ZINC001204717504 1049239510 /nfs/dbraw/zinc/23/95/10/1049239510.db2.gz MKENQXAGRGJEHD-UHFFFAOYSA-N 2 2 318.848 4.126 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)C1CC[NH+](C)CC1 ZINC001204717504 1049239517 /nfs/dbraw/zinc/23/95/17/1049239517.db2.gz MKENQXAGRGJEHD-UHFFFAOYSA-N 2 2 318.848 4.126 20 0 DIADLP FC(F)(F)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000858465468 1049261296 /nfs/dbraw/zinc/26/12/96/1049261296.db2.gz YZWULCSXZSHCTF-ZBCRRDGASA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000858465468 1049261307 /nfs/dbraw/zinc/26/13/07/1049261307.db2.gz YZWULCSXZSHCTF-ZBCRRDGASA-N 2 2 318.427 4.104 20 0 DIADLP C[C@@H](Cc1cccs1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001180058459 1049268335 /nfs/dbraw/zinc/26/83/35/1049268335.db2.gz RNXABBLKPJHJBE-ZDUSSCGKSA-N 2 2 317.483 4.058 20 0 DIADLP C[C@@H](Cc1cccs1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001180058459 1049268345 /nfs/dbraw/zinc/26/83/45/1049268345.db2.gz RNXABBLKPJHJBE-ZDUSSCGKSA-N 2 2 317.483 4.058 20 0 DIADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001204884894 1049297039 /nfs/dbraw/zinc/29/70/39/1049297039.db2.gz CPYTVGYJSWPVAV-IBGZPJMESA-N 2 2 312.432 4.033 20 0 DIADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001204884894 1049297055 /nfs/dbraw/zinc/29/70/55/1049297055.db2.gz CPYTVGYJSWPVAV-IBGZPJMESA-N 2 2 312.432 4.033 20 0 DIADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001204925279 1049312232 /nfs/dbraw/zinc/31/22/32/1049312232.db2.gz OTRSPDLGVZWVHA-QGZVFWFLSA-N 2 2 314.860 4.320 20 0 DIADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001204925279 1049312245 /nfs/dbraw/zinc/31/22/45/1049312245.db2.gz OTRSPDLGVZWVHA-QGZVFWFLSA-N 2 2 314.860 4.320 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001205083322 1049369377 /nfs/dbraw/zinc/36/93/77/1049369377.db2.gz SELQPRDRKHENLE-ZFWWWQNUSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001205083322 1049369390 /nfs/dbraw/zinc/36/93/90/1049369390.db2.gz SELQPRDRKHENLE-ZFWWWQNUSA-N 2 2 310.466 4.366 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205288307 1049429033 /nfs/dbraw/zinc/42/90/33/1049429033.db2.gz IHCWCNHYQRYHOY-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205288307 1049429040 /nfs/dbraw/zinc/42/90/40/1049429040.db2.gz IHCWCNHYQRYHOY-OAHLLOKOSA-N 2 2 301.261 4.005 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2ccccc2[nH]1 ZINC000775622246 1049455818 /nfs/dbraw/zinc/45/58/18/1049455818.db2.gz SGWFIXAVGCZZCJ-KSSFIOAISA-N 2 2 310.445 4.130 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000775622636 1049457072 /nfs/dbraw/zinc/45/70/72/1049457072.db2.gz XWZGMGFTNWMOLV-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001181436716 1049481772 /nfs/dbraw/zinc/48/17/72/1049481772.db2.gz YZFHECLTRDRYJM-DNVCBOLYSA-N 2 2 314.473 4.074 20 0 DIADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001181436716 1049481773 /nfs/dbraw/zinc/48/17/73/1049481773.db2.gz YZFHECLTRDRYJM-DNVCBOLYSA-N 2 2 314.473 4.074 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001205667535 1049527936 /nfs/dbraw/zinc/52/79/36/1049527936.db2.gz MVTVMGFVEGAPIO-DYVFJYSZSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001205667535 1049527945 /nfs/dbraw/zinc/52/79/45/1049527945.db2.gz MVTVMGFVEGAPIO-DYVFJYSZSA-N 2 2 324.871 4.017 20 0 DIADLP Cc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1F ZINC001205693194 1049535944 /nfs/dbraw/zinc/53/59/44/1049535944.db2.gz RMGNTPKOARLNRK-UHFFFAOYSA-N 2 2 315.436 4.023 20 0 DIADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccsc1C(F)(F)F ZINC001205693256 1049535981 /nfs/dbraw/zinc/53/59/81/1049535981.db2.gz SOFTVLKJJRWSRV-UHFFFAOYSA-N 2 2 322.440 4.321 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccsc1C(F)(F)F ZINC001205693256 1049535990 /nfs/dbraw/zinc/53/59/90/1049535990.db2.gz SOFTVLKJJRWSRV-UHFFFAOYSA-N 2 2 322.440 4.321 20 0 DIADLP CC[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC1(C)C ZINC001182031323 1049560334 /nfs/dbraw/zinc/56/03/34/1049560334.db2.gz IDEAQKYNXKZFLZ-ZBFHGGJFSA-N 2 2 317.864 4.440 20 0 DIADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC001205927090 1049604177 /nfs/dbraw/zinc/60/41/77/1049604177.db2.gz USYWMWANBYQHHO-GVDBMIGSSA-N 2 2 312.567 4.007 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3ccc(C)cc31)CCC2 ZINC000339069170 1049661715 /nfs/dbraw/zinc/66/17/15/1049661715.db2.gz WQTODLUEPHOISV-IEBWSBKVSA-N 2 2 309.457 4.045 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001206167580 1049673567 /nfs/dbraw/zinc/67/35/67/1049673567.db2.gz IKQYJELTDVQEIU-LMMKCTJWSA-N 2 2 302.506 4.311 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001206167580 1049673571 /nfs/dbraw/zinc/67/35/71/1049673571.db2.gz IKQYJELTDVQEIU-LMMKCTJWSA-N 2 2 302.506 4.311 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC001196685165 1049682615 /nfs/dbraw/zinc/68/26/15/1049682615.db2.gz RIZMEIHJVDCXPZ-PLNGDYQASA-N 2 2 318.892 4.304 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC001196685166 1049683349 /nfs/dbraw/zinc/68/33/49/1049683349.db2.gz RIZMEIHJVDCXPZ-SNAWJCMRSA-N 2 2 318.892 4.304 20 0 DIADLP Cc1cc(Cl)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206574686 1049759761 /nfs/dbraw/zinc/75/97/61/1049759761.db2.gz UGZXHSLUDCREPA-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1cc(Cl)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206574686 1049759771 /nfs/dbraw/zinc/75/97/71/1049759771.db2.gz UGZXHSLUDCREPA-INIZCTEOSA-N 2 2 315.288 4.253 20 0 DIADLP CC(C)c1ccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)n1 ZINC001206607180 1049768167 /nfs/dbraw/zinc/76/81/67/1049768167.db2.gz XDDJHLTWQYTILL-INIZCTEOSA-N 2 2 323.912 4.211 20 0 DIADLP CC(C)c1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)n1 ZINC001206607180 1049768175 /nfs/dbraw/zinc/76/81/75/1049768175.db2.gz XDDJHLTWQYTILL-INIZCTEOSA-N 2 2 323.912 4.211 20 0 DIADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000490423107 1049828926 /nfs/dbraw/zinc/82/89/26/1049828926.db2.gz NDXWEGYDDKBITA-OXQOHEQNSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000490423107 1049828937 /nfs/dbraw/zinc/82/89/37/1049828937.db2.gz NDXWEGYDDKBITA-OXQOHEQNSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000490423107 1049828952 /nfs/dbraw/zinc/82/89/52/1049828952.db2.gz NDXWEGYDDKBITA-OXQOHEQNSA-N 2 2 312.457 4.073 20 0 DIADLP Cc1occc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000490423107 1049828974 /nfs/dbraw/zinc/82/89/74/1049828974.db2.gz NDXWEGYDDKBITA-OXQOHEQNSA-N 2 2 312.457 4.073 20 0 DIADLP CC(C)[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197442 1049863224 /nfs/dbraw/zinc/86/32/24/1049863224.db2.gz QFQNRZRVUHBOIZ-QFBILLFUSA-N 2 2 320.908 4.248 20 0 DIADLP CC(C)[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207197442 1049863247 /nfs/dbraw/zinc/86/32/47/1049863247.db2.gz QFQNRZRVUHBOIZ-QFBILLFUSA-N 2 2 320.908 4.248 20 0 DIADLP c1cn(C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)c2ccccc2)c[nH+]1 ZINC001207293534 1049875774 /nfs/dbraw/zinc/87/57/74/1049875774.db2.gz IOIBTBZPXRIPMX-NJYVYQBISA-N 2 2 317.436 4.018 20 0 DIADLP CC(C)[N@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207597891 1049914563 /nfs/dbraw/zinc/91/45/63/1049914563.db2.gz UZBSXDSSNSKJIB-UHFFFAOYSA-N 2 2 308.897 4.077 20 0 DIADLP CC(C)[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207597891 1049914570 /nfs/dbraw/zinc/91/45/70/1049914570.db2.gz UZBSXDSSNSKJIB-UHFFFAOYSA-N 2 2 308.897 4.077 20 0 DIADLP C[NH+]1CCC([N@H+](CCCc2cccc(F)c2)C2CCCC2)CC1 ZINC001207606041 1049915801 /nfs/dbraw/zinc/91/58/01/1049915801.db2.gz AFOOTWIFXHGDFQ-UHFFFAOYSA-N 2 2 318.480 4.097 20 0 DIADLP C[NH+]1CCC([N@@H+](CCCc2cccc(F)c2)C2CCCC2)CC1 ZINC001207606041 1049915805 /nfs/dbraw/zinc/91/58/05/1049915805.db2.gz AFOOTWIFXHGDFQ-UHFFFAOYSA-N 2 2 318.480 4.097 20 0 DIADLP C[N@H+](CCCCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207615260 1049917935 /nfs/dbraw/zinc/91/79/35/1049917935.db2.gz QGQVMFYHPDHKPW-UHFFFAOYSA-N 2 2 319.452 4.327 20 0 DIADLP C[N@@H+](CCCCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207615260 1049917939 /nfs/dbraw/zinc/91/79/39/1049917939.db2.gz QGQVMFYHPDHKPW-UHFFFAOYSA-N 2 2 319.452 4.327 20 0 DIADLP C[C@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)c1cccc(Cl)c1 ZINC001207741779 1049932631 /nfs/dbraw/zinc/93/26/31/1049932631.db2.gz KYEAYDMYNQUCNA-CQSZACIVSA-N 2 2 306.881 4.050 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001207763184 1049936727 /nfs/dbraw/zinc/93/67/27/1049936727.db2.gz MXCDKFJQDGXFMM-OALUTQOASA-N 2 2 306.538 4.447 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC001207763184 1049936732 /nfs/dbraw/zinc/93/67/32/1049936732.db2.gz MXCDKFJQDGXFMM-OALUTQOASA-N 2 2 306.538 4.447 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC001207763186 1049936810 /nfs/dbraw/zinc/93/68/10/1049936810.db2.gz MXCDKFJQDGXFMM-RTBURBONSA-N 2 2 306.538 4.447 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC001207763186 1049936817 /nfs/dbraw/zinc/93/68/17/1049936817.db2.gz MXCDKFJQDGXFMM-RTBURBONSA-N 2 2 306.538 4.447 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001207937594 1049961634 /nfs/dbraw/zinc/96/16/34/1049961634.db2.gz LFFDIFJAABIQDV-PCCBWWKXSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001207937594 1049961645 /nfs/dbraw/zinc/96/16/45/1049961645.db2.gz LFFDIFJAABIQDV-PCCBWWKXSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001207937594 1049961658 /nfs/dbraw/zinc/96/16/58/1049961658.db2.gz LFFDIFJAABIQDV-PCCBWWKXSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001207937594 1049961666 /nfs/dbraw/zinc/96/16/66/1049961666.db2.gz LFFDIFJAABIQDV-PCCBWWKXSA-N 2 2 316.533 4.485 20 0 DIADLP Cc1ccc([C@@H](C)CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)o1 ZINC001208159245 1049978764 /nfs/dbraw/zinc/97/87/64/1049978764.db2.gz FEQQJNVWIQJEOZ-HNNXBMFYSA-N 2 2 314.429 4.020 20 0 DIADLP CC1=C[C@H](C)[C@@H](C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166937 1049980121 /nfs/dbraw/zinc/98/01/21/1049980121.db2.gz CVPYQSILNNRUCQ-ZWKOTPCHSA-N 2 2 304.522 4.318 20 0 DIADLP CC1=C[C@H](C)[C@@H](C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208166937 1049980124 /nfs/dbraw/zinc/98/01/24/1049980124.db2.gz CVPYQSILNNRUCQ-ZWKOTPCHSA-N 2 2 304.522 4.318 20 0 DIADLP CC(C)[N@H+](CCC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208669700 1050000164 /nfs/dbraw/zinc/00/01/64/1050000164.db2.gz QLDICVFWSHOWTN-UHFFFAOYSA-N 2 2 302.506 4.159 20 0 DIADLP CC(C)[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208669700 1050000169 /nfs/dbraw/zinc/00/01/69/1050000169.db2.gz QLDICVFWSHOWTN-UHFFFAOYSA-N 2 2 302.506 4.159 20 0 DIADLP C[C@@H](CCC1CCCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000572287314 1050000743 /nfs/dbraw/zinc/00/07/43/1050000743.db2.gz LVEXCSUHGWUISE-KRWDZBQOSA-N 2 2 311.473 4.380 20 0 DIADLP CC(C)[N@H+](CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001208873709 1050020200 /nfs/dbraw/zinc/02/02/00/1050020200.db2.gz CBMRIJIRZYKFKK-UHFFFAOYSA-N 2 2 308.897 4.077 20 0 DIADLP CC(C)[N@@H+](CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001208873709 1050020204 /nfs/dbraw/zinc/02/02/04/1050020204.db2.gz CBMRIJIRZYKFKK-UHFFFAOYSA-N 2 2 308.897 4.077 20 0 DIADLP c1coc(C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947066 1050027958 /nfs/dbraw/zinc/02/79/58/1050027958.db2.gz YHZIIICXTNKNLT-LJQANCHMSA-N 2 2 324.468 4.156 20 0 DIADLP c1coc(C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947066 1050027964 /nfs/dbraw/zinc/02/79/64/1050027964.db2.gz YHZIIICXTNKNLT-LJQANCHMSA-N 2 2 324.468 4.156 20 0 DIADLP c1coc(C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947066 1050027968 /nfs/dbraw/zinc/02/79/68/1050027968.db2.gz YHZIIICXTNKNLT-LJQANCHMSA-N 2 2 324.468 4.156 20 0 DIADLP c1coc(C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2CC2)c1 ZINC001208947066 1050027973 /nfs/dbraw/zinc/02/79/73/1050027973.db2.gz YHZIIICXTNKNLT-LJQANCHMSA-N 2 2 324.468 4.156 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001209824752 1050090180 /nfs/dbraw/zinc/09/01/80/1050090180.db2.gz YPVNYUKNCAPAPK-UHFFFAOYSA-N 2 2 320.440 4.458 20 0 DIADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CCC(C)(C)C3)cc2)CC1 ZINC000824066698 1050181648 /nfs/dbraw/zinc/18/16/48/1050181648.db2.gz VFCFUUOGZXRSKK-KRWDZBQOSA-N 2 2 315.505 4.208 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171049340 1050189514 /nfs/dbraw/zinc/18/95/14/1050189514.db2.gz HWHODNQRNSROAZ-KRWDZBQOSA-N 2 2 320.908 4.004 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000770739424 1050190453 /nfs/dbraw/zinc/19/04/53/1050190453.db2.gz ATUIAIXQCBZPBI-UXHICEINSA-N 2 2 317.436 4.298 20 0 DIADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171056572 1050215959 /nfs/dbraw/zinc/21/59/59/1050215959.db2.gz LZJXYLLQIXLODM-KRWDZBQOSA-N 2 2 320.908 4.002 20 0 DIADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171056572 1050215967 /nfs/dbraw/zinc/21/59/67/1050215967.db2.gz LZJXYLLQIXLODM-KRWDZBQOSA-N 2 2 320.908 4.002 20 0 DIADLP Cc1cc[nH+]c2cc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)ccc12 ZINC001210713411 1050344242 /nfs/dbraw/zinc/34/42/42/1050344242.db2.gz YFXNPUZULMZLBR-GOSISDBHSA-N 2 2 307.441 4.487 20 0 DIADLP Cc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001143763754 1050350159 /nfs/dbraw/zinc/35/01/59/1050350159.db2.gz BNPUEIZHSUSFSB-SFHVURJKSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1c(F)cc(F)cc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001143763754 1050350175 /nfs/dbraw/zinc/35/01/75/1050350175.db2.gz BNPUEIZHSUSFSB-SFHVURJKSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1cccc(F)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766214570 1050432542 /nfs/dbraw/zinc/43/25/42/1050432542.db2.gz XLHAARPKBRRRBJ-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)C2 ZINC000575222003 1050649746 /nfs/dbraw/zinc/64/97/46/1050649746.db2.gz LHEWXXOXKUYICB-XLIONFOSSA-N 2 2 309.457 4.178 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(F)c1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393563 1050829930 /nfs/dbraw/zinc/82/99/30/1050829930.db2.gz YQPYACHWTJMBNG-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP CCOc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742391102 1050830750 /nfs/dbraw/zinc/83/07/50/1050830750.db2.gz DCWBNHLZWVNXLA-MRXNPFEDSA-N 2 2 321.424 4.122 20 0 DIADLP C[C@H]1CC[C@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001170144191 1050994227 /nfs/dbraw/zinc/99/42/27/1050994227.db2.gz FGPFJEOZHZZSQV-KSSFIOAISA-N 2 2 321.424 4.182 20 0 DIADLP C[C@@H]1CC[C@@H]([NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)C1 ZINC001170144192 1050994749 /nfs/dbraw/zinc/99/47/49/1050994749.db2.gz FGPFJEOZHZZSQV-RDTXWAMCSA-N 2 2 321.424 4.182 20 0 DIADLP CCCCCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743873277 1051085143 /nfs/dbraw/zinc/08/51/43/1051085143.db2.gz MLJXBIHANIPWIJ-UHFFFAOYSA-N 2 2 303.494 4.200 20 0 DIADLP CCCCCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000743873277 1051085155 /nfs/dbraw/zinc/08/51/55/1051085155.db2.gz MLJXBIHANIPWIJ-UHFFFAOYSA-N 2 2 303.494 4.200 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156029 1051113309 /nfs/dbraw/zinc/11/33/09/1051113309.db2.gz MNZWDBBDTUGMPQ-XJKSGUPXSA-N 2 2 305.491 4.327 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1Cl ZINC000037156391 1051113473 /nfs/dbraw/zinc/11/34/73/1051113473.db2.gz FYKANVGNVYESPL-BBRMVZONSA-N 2 2 305.853 4.302 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)s1 ZINC000037156427 1051113802 /nfs/dbraw/zinc/11/38/02/1051113802.db2.gz XYDFHFAKFAOWNR-WCQYABFASA-N 2 2 311.882 4.364 20 0 DIADLP Cc1cccc2c1CC[C@@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)C2 ZINC001171564124 1051167901 /nfs/dbraw/zinc/16/79/01/1051167901.db2.gz TZAHFYFRIGHYGI-LJQANCHMSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1c(F)ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1F ZINC001171623809 1051180528 /nfs/dbraw/zinc/18/05/28/1051180528.db2.gz GTVMVFBEWVIHJC-UHFFFAOYSA-N 2 2 310.432 4.014 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC001171627500 1051181571 /nfs/dbraw/zinc/18/15/71/1051181571.db2.gz SJZAAIQDMYNCKV-HNNXBMFYSA-N 2 2 322.880 4.015 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001171657261 1051183627 /nfs/dbraw/zinc/18/36/27/1051183627.db2.gz DAGSGNZUIVSTBB-SFHVURJKSA-N 2 2 319.452 4.292 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)cc1 ZINC001171664765 1051187088 /nfs/dbraw/zinc/18/70/88/1051187088.db2.gz BZRRQPMODAHNQI-HKUYNNGSSA-N 2 2 302.506 4.026 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)cc1 ZINC001171664765 1051187094 /nfs/dbraw/zinc/18/70/94/1051187094.db2.gz BZRRQPMODAHNQI-HKUYNNGSSA-N 2 2 302.506 4.026 20 0 DIADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCC(C)(C)O3)CC2)CC1(C)C ZINC001171642776 1051196442 /nfs/dbraw/zinc/19/64/42/1051196442.db2.gz NAYCWKMITDAOPZ-UHFFFAOYSA-N 2 2 322.537 4.061 20 0 DIADLP C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327241 1051246604 /nfs/dbraw/zinc/24/66/04/1051246604.db2.gz VPSSDJDSEGDDMH-KDOFPFPSSA-N 2 2 321.449 4.370 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000766327245 1051246990 /nfs/dbraw/zinc/24/69/90/1051246990.db2.gz VPSSDJDSEGDDMH-RDTXWAMCSA-N 2 2 321.449 4.370 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969189 1051259276 /nfs/dbraw/zinc/25/92/76/1051259276.db2.gz UIIOALPZTOHBLB-HKUYNNGSSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969189 1051259284 /nfs/dbraw/zinc/25/92/84/1051259284.db2.gz UIIOALPZTOHBLB-HKUYNNGSSA-N 2 2 323.484 4.175 20 0 DIADLP CC1(C)C[C@@H]([NH2+]COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975161 1051264628 /nfs/dbraw/zinc/26/46/28/1051264628.db2.gz LSLSXOVSGFWTDM-IBGZPJMESA-N 2 2 324.468 4.056 20 0 DIADLP CC1(C)C[C@@H]([NH2+]COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171975161 1051264639 /nfs/dbraw/zinc/26/46/39/1051264639.db2.gz LSLSXOVSGFWTDM-IBGZPJMESA-N 2 2 324.468 4.056 20 0 DIADLP Cc1cn2c(cccc2Nc2ccc(C[NH2+]CC(C)C)cc2)[nH+]1 ZINC001215742424 1051337606 /nfs/dbraw/zinc/33/76/06/1051337606.db2.gz FJXGESNLWXTRNY-UHFFFAOYSA-N 2 2 308.429 4.132 20 0 DIADLP c1cn(C2CC[NH+]([C@H]3CCC[C@@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001172551152 1051435653 /nfs/dbraw/zinc/43/56/53/1051435653.db2.gz FEWVQVIASMETBK-QUCCMNQESA-N 2 2 309.457 4.246 20 0 DIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551207 1051435737 /nfs/dbraw/zinc/43/57/37/1051435737.db2.gz FRWUAPXDHGVZSH-UYAOXDASSA-N 2 2 300.490 4.129 20 0 DIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172551207 1051435742 /nfs/dbraw/zinc/43/57/42/1051435742.db2.gz FRWUAPXDHGVZSH-UYAOXDASSA-N 2 2 300.490 4.129 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001172537343 1051452642 /nfs/dbraw/zinc/45/26/42/1051452642.db2.gz OVJPHKLLNTYLNA-HSALFYBXSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC001172537343 1051452650 /nfs/dbraw/zinc/45/26/50/1051452650.db2.gz OVJPHKLLNTYLNA-HSALFYBXSA-N 2 2 312.501 4.319 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC001172715175 1051497082 /nfs/dbraw/zinc/49/70/82/1051497082.db2.gz JHGYSBSZOCORCW-SFHVURJKSA-N 2 2 323.827 4.002 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078745 1051513570 /nfs/dbraw/zinc/51/35/70/1051513570.db2.gz FWAUUHZJKQJTTQ-DEQVHRJGSA-N 2 2 313.272 4.269 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1Cl ZINC001169078745 1051513583 /nfs/dbraw/zinc/51/35/83/1051513583.db2.gz FWAUUHZJKQJTTQ-DEQVHRJGSA-N 2 2 313.272 4.269 20 0 DIADLP CC(C)C[C@H](Cc1ccccc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001169083813 1051514353 /nfs/dbraw/zinc/51/43/53/1051514353.db2.gz GRWSMCMVIYCVKI-RTBURBONSA-N 2 2 311.473 4.180 20 0 DIADLP c1ccc(CC2CCC([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC001172821265 1051514403 /nfs/dbraw/zinc/51/44/03/1051514403.db2.gz PGOJNNQIKFVGKY-MHJFOBGBSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(CC2CCC([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC2)cc1 ZINC001172821265 1051514414 /nfs/dbraw/zinc/51/44/14/1051514414.db2.gz PGOJNNQIKFVGKY-MHJFOBGBSA-N 2 2 312.501 4.004 20 0 DIADLP c1cn(C2CCC(Cc3ccccc3)CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001172825511 1051516573 /nfs/dbraw/zinc/51/65/73/1051516573.db2.gz WAEFNWOYHRDIRV-GPJFCIFZSA-N 2 2 323.484 4.324 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](CC2CCC2)c2ccccc2F)CC1 ZINC001169240989 1051561382 /nfs/dbraw/zinc/56/13/82/1051561382.db2.gz ODTMIDJPRGBYDI-LJQANCHMSA-N 2 2 304.453 4.131 20 0 DIADLP c1cn(C2CC[NH+](C3CCC4(CCCCC4)CC3)CC2)c[nH+]1 ZINC001173120523 1051615654 /nfs/dbraw/zinc/61/56/54/1051615654.db2.gz GBFXHUVQCWAZOX-UHFFFAOYSA-N 2 2 301.478 4.413 20 0 DIADLP C[NH2+]Cc1cccc(Nc2ccc([NH+]3CCCCC3)cc2)c1F ZINC001216222586 1051631869 /nfs/dbraw/zinc/63/18/69/1051631869.db2.gz LREJRGPJBITAOG-UHFFFAOYSA-N 2 2 313.420 4.279 20 0 DIADLP CCc1ccc(C[C@@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)cc1 ZINC001173251317 1051654785 /nfs/dbraw/zinc/65/47/85/1051654785.db2.gz YWNNWYXDWUJZMC-MRXNPFEDSA-N 2 2 319.452 4.375 20 0 DIADLP CC[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272598 1051669372 /nfs/dbraw/zinc/66/93/72/1051669372.db2.gz JUDQBHBBNDEFNX-YLJYHZDGSA-N 2 2 300.490 4.162 20 0 DIADLP CC[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272598 1051669381 /nfs/dbraw/zinc/66/93/81/1051669381.db2.gz JUDQBHBBNDEFNX-YLJYHZDGSA-N 2 2 300.490 4.162 20 0 DIADLP CCc1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001173239018 1051673663 /nfs/dbraw/zinc/67/36/63/1051673663.db2.gz MBCKZNRBBFIKHL-QGZVFWFLSA-N 2 2 319.452 4.156 20 0 DIADLP CNc1cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc[nH+]1 ZINC001216330836 1051704247 /nfs/dbraw/zinc/70/42/47/1051704247.db2.gz COXTZMORQLZVPJ-UHFFFAOYSA-N 2 2 318.302 4.434 20 0 DIADLP F[C@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001173347790 1051704672 /nfs/dbraw/zinc/70/46/72/1051704672.db2.gz ALPLYQRFHGHHTD-FHWLQOOXSA-N 2 2 322.512 4.388 20 0 DIADLP F[C@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001173347790 1051704678 /nfs/dbraw/zinc/70/46/78/1051704678.db2.gz ALPLYQRFHGHHTD-FHWLQOOXSA-N 2 2 322.512 4.388 20 0 DIADLP F[C@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001173347792 1051705845 /nfs/dbraw/zinc/70/58/45/1051705845.db2.gz ALPLYQRFHGHHTD-QYZOEREBSA-N 2 2 322.512 4.388 20 0 DIADLP F[C@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CC[C@@H]1[NH+]1CCCC1 ZINC001173347792 1051705854 /nfs/dbraw/zinc/70/58/54/1051705854.db2.gz ALPLYQRFHGHHTD-QYZOEREBSA-N 2 2 322.512 4.388 20 0 DIADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000767373747 1051797366 /nfs/dbraw/zinc/79/73/66/1051797366.db2.gz BFBCYOIOTSDAIN-QRWLVFNGSA-N 2 2 312.457 4.039 20 0 DIADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)o1 ZINC000767373747 1051797379 /nfs/dbraw/zinc/79/73/79/1051797379.db2.gz BFBCYOIOTSDAIN-QRWLVFNGSA-N 2 2 312.457 4.039 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000186211856 1051798968 /nfs/dbraw/zinc/79/89/68/1051798968.db2.gz DLGOCNCCWFJNHF-GFCCVEGCSA-N 2 2 309.523 4.226 20 0 DIADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000404709108 1051886533 /nfs/dbraw/zinc/88/65/33/1051886533.db2.gz ZDYXHCTXIPQVMA-INIZCTEOSA-N 2 2 305.853 4.049 20 0 DIADLP CCCCCCOc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000768530296 1051938242 /nfs/dbraw/zinc/93/82/42/1051938242.db2.gz BANNMEXQAQVVSZ-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CC[NH+](CC)Cc1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000190385754 1051944331 /nfs/dbraw/zinc/94/43/31/1051944331.db2.gz LGLOEBJVSSHGEH-UHFFFAOYSA-N 2 2 322.456 4.097 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3-c3ccccc3)C2)[nH]1 ZINC000768904486 1051977970 /nfs/dbraw/zinc/97/79/70/1051977970.db2.gz ZZDFGGSBKKZNGF-IBGZPJMESA-N 2 2 317.436 4.456 20 0 DIADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3-c3ccccc3)C2)[nH]1 ZINC000768904486 1051977978 /nfs/dbraw/zinc/97/79/78/1051977978.db2.gz ZZDFGGSBKKZNGF-IBGZPJMESA-N 2 2 317.436 4.456 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000192149349 1052000471 /nfs/dbraw/zinc/00/04/71/1052000471.db2.gz PCBKZBIHIUFPHP-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP CC(C)n1c[nH+]c2cc(Nc3ccc(CC[NH+](C)C)cc3)ccc21 ZINC001174382705 1052143171 /nfs/dbraw/zinc/14/31/71/1052143171.db2.gz CIKFVUJQXSWPIL-UHFFFAOYSA-N 2 2 322.456 4.465 20 0 DIADLP c1cc2c([nH]1)[nH+]ccc2Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001174411036 1052163887 /nfs/dbraw/zinc/16/38/87/1052163887.db2.gz FQAVYXUAUZFDSG-UHFFFAOYSA-N 2 2 306.413 4.244 20 0 DIADLP C[N@H+](CCC[NH2+]Cc1cccc(Cl)c1F)Cc1ccccc1 ZINC000309755508 1052241499 /nfs/dbraw/zinc/24/14/99/1052241499.db2.gz USYBCYGSGMMYHM-UHFFFAOYSA-N 2 2 320.839 4.091 20 0 DIADLP C[N@@H+](CCC[NH2+]Cc1cccc(Cl)c1F)Cc1ccccc1 ZINC000309755508 1052241507 /nfs/dbraw/zinc/24/15/07/1052241507.db2.gz USYBCYGSGMMYHM-UHFFFAOYSA-N 2 2 320.839 4.091 20 0 DIADLP Clc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222167342 1052456164 /nfs/dbraw/zinc/45/61/64/1052456164.db2.gz KOLBEXVLYFKSNA-MRXNPFEDSA-N 2 2 312.910 4.147 20 0 DIADLP Clc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222167342 1052456165 /nfs/dbraw/zinc/45/61/65/1052456165.db2.gz KOLBEXVLYFKSNA-MRXNPFEDSA-N 2 2 312.910 4.147 20 0 DIADLP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153655845 1052462201 /nfs/dbraw/zinc/46/22/01/1052462201.db2.gz NWMVGZJAPNXUGI-CYBMUJFWSA-N 2 2 321.465 4.021 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc12 ZINC001222243756 1052468197 /nfs/dbraw/zinc/46/81/97/1052468197.db2.gz NXAPGKPEMOVISE-OAQYLSRUSA-N 2 2 320.436 4.304 20 0 DIADLP c1ccc2c(c1)oc1ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc12 ZINC001222243756 1052468199 /nfs/dbraw/zinc/46/81/99/1052468199.db2.gz NXAPGKPEMOVISE-OAQYLSRUSA-N 2 2 320.436 4.304 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222297934 1052476137 /nfs/dbraw/zinc/47/61/37/1052476137.db2.gz OLHKQLAXHASEFZ-UHFFFAOYSA-N 2 2 310.441 4.055 20 0 DIADLP c1cc(-c2cccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)cs1 ZINC001222353678 1052490108 /nfs/dbraw/zinc/49/01/08/1052490108.db2.gz FFNGPAQLUMBGMY-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)cs1 ZINC001222353678 1052490111 /nfs/dbraw/zinc/49/01/11/1052490111.db2.gz FFNGPAQLUMBGMY-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222427505 1052499402 /nfs/dbraw/zinc/49/94/02/1052499402.db2.gz QKTNGJLUBWHYLT-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)cc1 ZINC001222427505 1052499406 /nfs/dbraw/zinc/49/94/06/1052499406.db2.gz QKTNGJLUBWHYLT-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP C[C@H](Cc1cccc(F)c1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001168502669 1052512730 /nfs/dbraw/zinc/51/27/30/1052512730.db2.gz YHYGXOBVIFNRPF-MRXNPFEDSA-N 2 2 318.480 4.096 20 0 DIADLP C[C@H](Cc1cccc(F)c1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001168502669 1052512738 /nfs/dbraw/zinc/51/27/38/1052512738.db2.gz YHYGXOBVIFNRPF-MRXNPFEDSA-N 2 2 318.480 4.096 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001222597907 1052516538 /nfs/dbraw/zinc/51/65/38/1052516538.db2.gz WQWXJDFLYXIXEN-QGZVFWFLSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001222597907 1052516542 /nfs/dbraw/zinc/51/65/42/1052516542.db2.gz WQWXJDFLYXIXEN-QGZVFWFLSA-N 2 2 321.251 4.193 20 0 DIADLP Cc1cc(C)cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000320497102 1052522914 /nfs/dbraw/zinc/52/29/14/1052522914.db2.gz STCHAWLQFUCTMO-NRFANRHFSA-N 2 2 308.469 4.230 20 0 DIADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270898 1052546750 /nfs/dbraw/zinc/54/67/50/1052546750.db2.gz GKDIJVQXEJMYJL-HOTGVXAUSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270898 1052546754 /nfs/dbraw/zinc/54/67/54/1052546754.db2.gz GKDIJVQXEJMYJL-HOTGVXAUSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270897 1052546770 /nfs/dbraw/zinc/54/67/70/1052546770.db2.gz GKDIJVQXEJMYJL-CVEARBPZSA-N 2 2 303.494 4.081 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C(C)(C)C ZINC000670270897 1052546774 /nfs/dbraw/zinc/54/67/74/1052546774.db2.gz GKDIJVQXEJMYJL-CVEARBPZSA-N 2 2 303.494 4.081 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398001639 1052561735 /nfs/dbraw/zinc/56/17/35/1052561735.db2.gz FDIXHGKADWFNBA-AYBZRNKSSA-N 2 2 312.457 4.149 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398001639 1052561740 /nfs/dbraw/zinc/56/17/40/1052561740.db2.gz FDIXHGKADWFNBA-AYBZRNKSSA-N 2 2 312.457 4.149 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000763394830 1052624054 /nfs/dbraw/zinc/62/40/54/1052624054.db2.gz FESCVRJOYPIPHY-LJQANCHMSA-N 2 2 323.827 4.303 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000038097918 1052630949 /nfs/dbraw/zinc/63/09/49/1052630949.db2.gz LSCHNUFXKXMWNA-NSHDSACASA-N 2 2 301.261 4.128 20 0 DIADLP CC(C)(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000124619818 1052641861 /nfs/dbraw/zinc/64/18/61/1052641861.db2.gz AJHJBILTNGFVNJ-FQEVSTJZSA-N 2 2 323.484 4.427 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc3oc4ccccc4c3c2)CC1 ZINC000917052999 1052683809 /nfs/dbraw/zinc/68/38/09/1052683809.db2.gz KWAXMZUTJBIXDW-UHFFFAOYSA-N 2 2 308.425 4.112 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129492028 1052791684 /nfs/dbraw/zinc/79/16/84/1052791684.db2.gz GFKUJXTWMVYICP-VWYCJHECSA-N 2 2 319.251 4.266 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129492028 1052791688 /nfs/dbraw/zinc/79/16/88/1052791688.db2.gz GFKUJXTWMVYICP-VWYCJHECSA-N 2 2 319.251 4.266 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129491562 1052792076 /nfs/dbraw/zinc/79/20/76/1052792076.db2.gz GFKUJXTWMVYICP-OUAUKWLOSA-N 2 2 319.251 4.266 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129491562 1052792083 /nfs/dbraw/zinc/79/20/83/1052792083.db2.gz GFKUJXTWMVYICP-OUAUKWLOSA-N 2 2 319.251 4.266 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000556063634 1052795101 /nfs/dbraw/zinc/79/51/01/1052795101.db2.gz OGWIMEOFEKLONV-ZBFHGGJFSA-N 2 2 320.889 4.327 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000556063634 1052795105 /nfs/dbraw/zinc/79/51/05/1052795105.db2.gz OGWIMEOFEKLONV-ZBFHGGJFSA-N 2 2 320.889 4.327 20 0 DIADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000556236342 1052824750 /nfs/dbraw/zinc/82/47/50/1052824750.db2.gz QVEDCFZBGYFHGA-INIZCTEOSA-N 2 2 315.505 4.154 20 0 DIADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000556236342 1052824753 /nfs/dbraw/zinc/82/47/53/1052824753.db2.gz QVEDCFZBGYFHGA-INIZCTEOSA-N 2 2 315.505 4.154 20 0 DIADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000499068031 1052895585 /nfs/dbraw/zinc/89/55/85/1052895585.db2.gz FGJQONJSZYLMEG-QGZVFWFLSA-N 2 2 305.425 4.243 20 0 DIADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000499068031 1052895589 /nfs/dbraw/zinc/89/55/89/1052895589.db2.gz FGJQONJSZYLMEG-QGZVFWFLSA-N 2 2 305.425 4.243 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001227263097 1052977157 /nfs/dbraw/zinc/97/71/57/1052977157.db2.gz BXJJICXQYGXAFD-LJQANCHMSA-N 2 2 324.468 4.378 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001227263097 1052977159 /nfs/dbraw/zinc/97/71/59/1052977159.db2.gz BXJJICXQYGXAFD-LJQANCHMSA-N 2 2 324.468 4.378 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001227264631 1052978184 /nfs/dbraw/zinc/97/81/84/1052978184.db2.gz PDWWWBGUDCSLKH-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001227264631 1052978186 /nfs/dbraw/zinc/97/81/86/1052978186.db2.gz PDWWWBGUDCSLKH-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP C[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CCC1 ZINC000179955665 1053037455 /nfs/dbraw/zinc/03/74/55/1053037455.db2.gz TXITVGSDADRKFU-MRXNPFEDSA-N 2 2 315.505 4.065 20 0 DIADLP CC[C@@H](C)[C@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000179992413 1053040517 /nfs/dbraw/zinc/04/05/17/1053040517.db2.gz AEOSEVRYXKHGGT-CVEARBPZSA-N 2 2 303.494 4.064 20 0 DIADLP CC[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000179992114 1053040696 /nfs/dbraw/zinc/04/06/96/1053040696.db2.gz MISFGMBYGAZZIB-LJQANCHMSA-N 2 2 303.494 4.064 20 0 DIADLP Fc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1-c1ccccc1 ZINC001228556736 1053134674 /nfs/dbraw/zinc/13/46/74/1053134674.db2.gz PQZODZMGYPMDBP-UHFFFAOYSA-N 2 2 324.443 4.211 20 0 DIADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383067 1053239814 /nfs/dbraw/zinc/23/98/14/1053239814.db2.gz IZBZPEINSOWNCI-MNOVXSKESA-N 2 2 321.317 4.437 20 0 DIADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)sc2Cl)C1 ZINC001319383067 1053239820 /nfs/dbraw/zinc/23/98/20/1053239820.db2.gz IZBZPEINSOWNCI-MNOVXSKESA-N 2 2 321.317 4.437 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000252104605 1053256828 /nfs/dbraw/zinc/25/68/28/1053256828.db2.gz GUYFRONBWHFLRJ-SJORKVTESA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000252104605 1053256839 /nfs/dbraw/zinc/25/68/39/1053256839.db2.gz GUYFRONBWHFLRJ-SJORKVTESA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000252104605 1053256851 /nfs/dbraw/zinc/25/68/51/1053256851.db2.gz GUYFRONBWHFLRJ-SJORKVTESA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000252104605 1053256857 /nfs/dbraw/zinc/25/68/57/1053256857.db2.gz GUYFRONBWHFLRJ-SJORKVTESA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252211151 1053260312 /nfs/dbraw/zinc/26/03/12/1053260312.db2.gz WJIHNTYPMPQYHR-KURKYZTESA-N 2 2 318.480 4.473 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252211151 1053260329 /nfs/dbraw/zinc/26/03/29/1053260329.db2.gz WJIHNTYPMPQYHR-KURKYZTESA-N 2 2 318.480 4.473 20 0 DIADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252211151 1053260345 /nfs/dbraw/zinc/26/03/45/1053260345.db2.gz WJIHNTYPMPQYHR-KURKYZTESA-N 2 2 318.480 4.473 20 0 DIADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252211151 1053260353 /nfs/dbraw/zinc/26/03/53/1053260353.db2.gz WJIHNTYPMPQYHR-KURKYZTESA-N 2 2 318.480 4.473 20 0 DIADLP FC(F)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001320629406 1053350498 /nfs/dbraw/zinc/35/04/98/1053350498.db2.gz VKEGPCOTQXBQTR-UHFFFAOYSA-N 2 2 313.351 4.100 20 0 DIADLP Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC001321282092 1053405087 /nfs/dbraw/zinc/40/50/87/1053405087.db2.gz JJDSMPKRFSROJI-OWZKRDHZSA-N 2 2 321.468 4.306 20 0 DIADLP Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)[nH+]1 ZINC001321282092 1053405094 /nfs/dbraw/zinc/40/50/94/1053405094.db2.gz JJDSMPKRFSROJI-OWZKRDHZSA-N 2 2 321.468 4.306 20 0 DIADLP CC(C)c1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152732520 1053518298 /nfs/dbraw/zinc/51/82/98/1053518298.db2.gz NKPPWNSDKDPMLM-MRXNPFEDSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000152921570 1053552525 /nfs/dbraw/zinc/55/25/25/1053552525.db2.gz ZHRPBPARXPEANP-QFBILLFUSA-N 2 2 321.468 4.197 20 0 DIADLP C[NH+]1C(C)(C)CC(Oc2ccc(-c3[nH]cc[nH+]3)cc2)CC1(C)C ZINC001231081467 1053669747 /nfs/dbraw/zinc/66/97/47/1053669747.db2.gz LVLINVRRTHYTDG-UHFFFAOYSA-N 2 2 313.445 4.107 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000267272351 1053738191 /nfs/dbraw/zinc/73/81/91/1053738191.db2.gz SOLUHDPWMIPQED-HOTGVXAUSA-N 2 2 321.424 4.293 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001231423689 1053746261 /nfs/dbraw/zinc/74/62/61/1053746261.db2.gz GFKYWCUKDXDHPA-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001231423689 1053746271 /nfs/dbraw/zinc/74/62/71/1053746271.db2.gz GFKYWCUKDXDHPA-MRXNPFEDSA-N 2 2 316.832 4.005 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155134149 1053764379 /nfs/dbraw/zinc/76/43/79/1053764379.db2.gz WXZUOGWVGNTDBO-VBKZILBWSA-N 2 2 321.399 4.350 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)o1 ZINC001231594837 1053796594 /nfs/dbraw/zinc/79/65/94/1053796594.db2.gz LAPHAJKUBSWZTC-UHFFFAOYSA-N 2 2 324.468 4.315 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC001231600072 1053798209 /nfs/dbraw/zinc/79/82/09/1053798209.db2.gz SQQLSDDMUMHJFW-UHFFFAOYSA-N 2 2 312.457 4.171 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC001231600072 1053798222 /nfs/dbraw/zinc/79/82/22/1053798222.db2.gz SQQLSDDMUMHJFW-UHFFFAOYSA-N 2 2 312.457 4.171 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1sc2scc(C)c2c1C ZINC001231833146 1053886208 /nfs/dbraw/zinc/88/62/08/1053886208.db2.gz UYEFLAULUKMTBJ-UHFFFAOYSA-N 2 2 319.499 4.298 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1sc2scc(C)c2c1C ZINC001231833146 1053886228 /nfs/dbraw/zinc/88/62/28/1053886228.db2.gz UYEFLAULUKMTBJ-UHFFFAOYSA-N 2 2 319.499 4.298 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158162820 1053890343 /nfs/dbraw/zinc/89/03/43/1053890343.db2.gz HKRPWAKMILEHLI-ZJUUUORDSA-N 2 2 307.290 4.047 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158162820 1053890359 /nfs/dbraw/zinc/89/03/59/1053890359.db2.gz HKRPWAKMILEHLI-ZJUUUORDSA-N 2 2 307.290 4.047 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000315112273 1053899681 /nfs/dbraw/zinc/89/96/81/1053899681.db2.gz LPSUWGBVVJJNLB-CYBMUJFWSA-N 2 2 311.351 4.033 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2nccc3ccccc32)C2CCCC2)CC1 ZINC001232251495 1054003679 /nfs/dbraw/zinc/00/36/79/1054003679.db2.gz WQFISULQKNFDLZ-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2nccc3ccccc32)C2CCCC2)CC1 ZINC001232251495 1054003693 /nfs/dbraw/zinc/00/36/93/1054003693.db2.gz WQFISULQKNFDLZ-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP Cc1cccc(F)c1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001232487855 1054056262 /nfs/dbraw/zinc/05/62/62/1054056262.db2.gz WFLQFSGANDOPTN-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP Cc1cccc(F)c1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001232487855 1054056275 /nfs/dbraw/zinc/05/62/75/1054056275.db2.gz WFLQFSGANDOPTN-UHFFFAOYSA-N 2 2 318.480 4.363 20 0 DIADLP CC(C)[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001232733894 1054109708 /nfs/dbraw/zinc/10/97/08/1054109708.db2.gz NCXUWGGSJQEPGV-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1cc2ccc(Cl)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001232733894 1054109719 /nfs/dbraw/zinc/10/97/19/1054109719.db2.gz NCXUWGGSJQEPGV-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331848 1054235126 /nfs/dbraw/zinc/23/51/26/1054235126.db2.gz NEIHQSOZFCVXJF-UHFFFAOYSA-N 2 2 322.496 4.194 20 0 DIADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331848 1054235132 /nfs/dbraw/zinc/23/51/32/1054235132.db2.gz NEIHQSOZFCVXJF-UHFFFAOYSA-N 2 2 322.496 4.194 20 0 DIADLP Cc1[nH]c(C[NH2+][C@H](Cc2ccccc2)c2cccs2)c(C)[nH+]1 ZINC001341044138 1054375778 /nfs/dbraw/zinc/37/57/78/1054375778.db2.gz KEVVISHHPDPFPE-MRXNPFEDSA-N 2 2 311.454 4.162 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000623363732 1054574793 /nfs/dbraw/zinc/57/47/93/1054574793.db2.gz CGGZMMPQOFRHPB-UHFFFAOYSA-N 2 2 320.424 4.119 20 0 DIADLP Cc1cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)ccn1 ZINC000623427492 1054591487 /nfs/dbraw/zinc/59/14/87/1054591487.db2.gz BDBZIFHISJUNNX-SFHVURJKSA-N 2 2 323.484 4.143 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017713 1054641067 /nfs/dbraw/zinc/64/10/67/1054641067.db2.gz OEFCMOXPLFJALH-KBXCAEBGSA-N 2 2 322.477 4.238 20 0 DIADLP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017713 1054641072 /nfs/dbraw/zinc/64/10/72/1054641072.db2.gz OEFCMOXPLFJALH-KBXCAEBGSA-N 2 2 322.477 4.238 20 0 DIADLP Cc1c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235128865 1054662083 /nfs/dbraw/zinc/66/20/83/1054662083.db2.gz IVUADEOIHCPRKE-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235128865 1054662091 /nfs/dbraw/zinc/66/20/91/1054662091.db2.gz IVUADEOIHCPRKE-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP c1cc(-c2cccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c2)cs1 ZINC001235117331 1054662444 /nfs/dbraw/zinc/66/24/44/1054662444.db2.gz ADYCKDYHGQRCRI-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1cc(-c2cccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c2)cs1 ZINC001235117331 1054662452 /nfs/dbraw/zinc/66/24/52/1054662452.db2.gz ADYCKDYHGQRCRI-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235118658 1054662874 /nfs/dbraw/zinc/66/28/74/1054662874.db2.gz GTXJKLQWWLJYEJ-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235118658 1054662878 /nfs/dbraw/zinc/66/28/78/1054662878.db2.gz GTXJKLQWWLJYEJ-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP Fc1cccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)cccc12 ZINC001235177221 1054676352 /nfs/dbraw/zinc/67/63/52/1054676352.db2.gz OYEPTXGMWGSAKA-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP Fc1cccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cccc12 ZINC001235177221 1054676360 /nfs/dbraw/zinc/67/63/60/1054676360.db2.gz OYEPTXGMWGSAKA-FQEVSTJZSA-N 2 2 312.432 4.087 20 0 DIADLP C[N@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001235342025 1054705024 /nfs/dbraw/zinc/70/50/24/1054705024.db2.gz GMYLBPIXQUUZKJ-KRWDZBQOSA-N 2 2 319.452 4.019 20 0 DIADLP C[N@@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001235342025 1054705036 /nfs/dbraw/zinc/70/50/36/1054705036.db2.gz GMYLBPIXQUUZKJ-KRWDZBQOSA-N 2 2 319.452 4.019 20 0 DIADLP C[N@H+](Cc1ccccc1-c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC001235348460 1054706521 /nfs/dbraw/zinc/70/65/21/1054706521.db2.gz YPGAXVRJDCKNCH-SFHVURJKSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@@H+](Cc1ccccc1-c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC001235348460 1054706529 /nfs/dbraw/zinc/70/65/29/1054706529.db2.gz YPGAXVRJDCKNCH-SFHVURJKSA-N 2 2 314.860 4.191 20 0 DIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000180402004 1054754806 /nfs/dbraw/zinc/75/48/06/1054754806.db2.gz NBLQVAAGVXYHSG-MRXNPFEDSA-N 2 2 312.457 4.470 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2cc(-c3ccsc3)cs2)CC1 ZINC001235726231 1054789716 /nfs/dbraw/zinc/78/97/16/1054789716.db2.gz LDMVKRDHYYYIGB-UHFFFAOYSA-N 2 2 306.500 4.051 20 0 DIADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)sc1C ZINC000623985865 1054839138 /nfs/dbraw/zinc/83/91/38/1054839138.db2.gz FLFLVRVAZWJMRG-DZGCQCFKSA-N 2 2 303.475 4.076 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077854 1054873952 /nfs/dbraw/zinc/87/39/52/1054873952.db2.gz FEHOICNYAVQAGE-UKRRQHHQSA-N 2 2 306.416 4.104 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077854 1054873955 /nfs/dbraw/zinc/87/39/55/1054873955.db2.gz FEHOICNYAVQAGE-UKRRQHHQSA-N 2 2 306.416 4.104 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3Cl)c2)C1 ZINC001235966080 1054877504 /nfs/dbraw/zinc/87/75/04/1054877504.db2.gz HNCDWXDYNYCVKP-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3Cl)c2)C1 ZINC001235966080 1054877511 /nfs/dbraw/zinc/87/75/11/1054877511.db2.gz HNCDWXDYNYCVKP-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP CC[N@H+](Cc1cccc(-c2c(C)cccc2C)c1)[C@H]1CC[NH2+]C1 ZINC001235976544 1054878445 /nfs/dbraw/zinc/87/84/45/1054878445.db2.gz YMVHPAYUFCUYJV-FQEVSTJZSA-N 2 2 308.469 4.154 20 0 DIADLP CC[N@@H+](Cc1cccc(-c2c(C)cccc2C)c1)[C@H]1CC[NH2+]C1 ZINC001235976544 1054878455 /nfs/dbraw/zinc/87/84/55/1054878455.db2.gz YMVHPAYUFCUYJV-FQEVSTJZSA-N 2 2 308.469 4.154 20 0 DIADLP Fc1c(C[NH+]2CCCCC2)cccc1-c1cccc2[nH+]ccn21 ZINC001236013010 1054897016 /nfs/dbraw/zinc/89/70/16/1054897016.db2.gz XQPZTTAWZIUWHB-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001236142784 1054968415 /nfs/dbraw/zinc/96/84/15/1054968415.db2.gz AHBNVDKHPDRKFO-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001236142784 1054968429 /nfs/dbraw/zinc/96/84/29/1054968429.db2.gz AHBNVDKHPDRKFO-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212441 1055003294 /nfs/dbraw/zinc/00/32/94/1055003294.db2.gz LPRMRIIHHCYSTC-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212441 1055003308 /nfs/dbraw/zinc/00/33/08/1055003308.db2.gz LPRMRIIHHCYSTC-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1sc(Cl)c2ccccc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218069 1055007163 /nfs/dbraw/zinc/00/71/63/1055007163.db2.gz RIPHWWGEKJABFP-KGLIPLIRSA-N 2 2 308.878 4.256 20 0 DIADLP C[N@@H+](Cc1sc(Cl)c2ccccc21)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218069 1055007176 /nfs/dbraw/zinc/00/71/76/1055007176.db2.gz RIPHWWGEKJABFP-KGLIPLIRSA-N 2 2 308.878 4.256 20 0 DIADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001236246853 1055029161 /nfs/dbraw/zinc/02/91/61/1055029161.db2.gz KTVSWQFVYSXFPL-MRXNPFEDSA-N 2 2 316.832 4.055 20 0 DIADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001236246853 1055029173 /nfs/dbraw/zinc/02/91/73/1055029173.db2.gz KTVSWQFVYSXFPL-MRXNPFEDSA-N 2 2 316.832 4.055 20 0 DIADLP Cc1cn2cc(-c3ccc(C[NH+]4CCCCC4)c(F)c3)ccc2[nH+]1 ZINC001236248911 1055031007 /nfs/dbraw/zinc/03/10/07/1055031007.db2.gz LDZSLTAUKYKKRC-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP Cc1cc2[nH+]ccn2cc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236248669 1055031725 /nfs/dbraw/zinc/03/17/25/1055031725.db2.gz JGWIWQKHHNSLNJ-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP Clc1cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cs1 ZINC001236299275 1055048963 /nfs/dbraw/zinc/04/89/63/1055048963.db2.gz GAZAYKAUWDLOTF-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Clc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cs1 ZINC001236299275 1055048979 /nfs/dbraw/zinc/04/89/79/1055048979.db2.gz GAZAYKAUWDLOTF-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2cn3cc[nH+]c3cc2C)c1 ZINC001236325428 1055056691 /nfs/dbraw/zinc/05/66/91/1055056691.db2.gz GKUKINMRVQBDTG-UHFFFAOYSA-N 2 2 311.404 4.291 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236421346 1055108006 /nfs/dbraw/zinc/10/80/06/1055108006.db2.gz UNEWVZCGNRRBGR-DYESRHJHSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)c1 ZINC001236421346 1055108013 /nfs/dbraw/zinc/10/80/13/1055108013.db2.gz UNEWVZCGNRRBGR-DYESRHJHSA-N 2 2 323.484 4.075 20 0 DIADLP COC(C)(C)CCC[C@H](C)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236521532 1055160330 /nfs/dbraw/zinc/16/03/30/1055160330.db2.gz DITQWXUMYMKGEM-SFHVURJKSA-N 2 2 320.521 4.069 20 0 DIADLP COC(C)(C)CCC[C@H](C)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236521532 1055160336 /nfs/dbraw/zinc/16/03/36/1055160336.db2.gz DITQWXUMYMKGEM-SFHVURJKSA-N 2 2 320.521 4.069 20 0 DIADLP CSc1cccc(Cl)c1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636835 1055210396 /nfs/dbraw/zinc/21/03/96/1055210396.db2.gz KCQITVVSQKRCJY-UHFFFAOYSA-N 2 2 324.921 4.168 20 0 DIADLP CSc1cccc(Cl)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636835 1055210406 /nfs/dbraw/zinc/21/04/06/1055210406.db2.gz KCQITVVSQKRCJY-UHFFFAOYSA-N 2 2 324.921 4.168 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2occc21 ZINC001236740296 1055249646 /nfs/dbraw/zinc/24/96/46/1055249646.db2.gz VIWZDNFUCBAMIA-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2occc21 ZINC001236740296 1055249659 /nfs/dbraw/zinc/24/96/59/1055249659.db2.gz VIWZDNFUCBAMIA-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000383482381 1055281165 /nfs/dbraw/zinc/28/11/65/1055281165.db2.gz SQYUZFGHPIYEQI-POAQFYNOSA-N 2 2 324.468 4.015 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000383482381 1055281177 /nfs/dbraw/zinc/28/11/77/1055281177.db2.gz SQYUZFGHPIYEQI-POAQFYNOSA-N 2 2 324.468 4.015 20 0 DIADLP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902863 1055307757 /nfs/dbraw/zinc/30/77/57/1055307757.db2.gz JPQUIOMWNBRASJ-KBPBESRZSA-N 2 2 303.837 4.289 20 0 DIADLP C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907004 1055309872 /nfs/dbraw/zinc/30/98/72/1055309872.db2.gz YWRFJZSPEDOWNW-CQSZACIVSA-N 2 2 303.837 4.290 20 0 DIADLP C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907004 1055309885 /nfs/dbraw/zinc/30/98/85/1055309885.db2.gz YWRFJZSPEDOWNW-CQSZACIVSA-N 2 2 303.837 4.290 20 0 DIADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CC1 ZINC001236903504 1055310056 /nfs/dbraw/zinc/31/00/56/1055310056.db2.gz PDYJCCWPOKHLCD-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CC1 ZINC001236903504 1055310072 /nfs/dbraw/zinc/31/00/72/1055310072.db2.gz PDYJCCWPOKHLCD-UHFFFAOYSA-N 2 2 303.837 4.148 20 0 DIADLP C[C@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904800 1055310168 /nfs/dbraw/zinc/31/01/68/1055310168.db2.gz WDXBROZIVWAOMF-KRWDZBQOSA-N 2 2 321.827 4.240 20 0 DIADLP C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904800 1055310182 /nfs/dbraw/zinc/31/01/82/1055310182.db2.gz WDXBROZIVWAOMF-KRWDZBQOSA-N 2 2 321.827 4.240 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001236912664 1055312060 /nfs/dbraw/zinc/31/20/60/1055312060.db2.gz DFURMCZSEBZKGX-GASCZTMLSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001236912664 1055312077 /nfs/dbraw/zinc/31/20/77/1055312077.db2.gz DFURMCZSEBZKGX-GASCZTMLSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[N@@H+]2CCC23CCCCC3)ccc1-n1cc[nH+]c1 ZINC001236906643 1055313791 /nfs/dbraw/zinc/31/37/91/1055313791.db2.gz LOZMIBOCMXHZSB-UHFFFAOYSA-N 2 2 315.848 4.434 20 0 DIADLP Clc1cc(C[N@H+]2CCC23CCCCC3)ccc1-n1cc[nH+]c1 ZINC001236906643 1055313806 /nfs/dbraw/zinc/31/38/06/1055313806.db2.gz LOZMIBOCMXHZSB-UHFFFAOYSA-N 2 2 315.848 4.434 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001236918245 1055316500 /nfs/dbraw/zinc/31/65/00/1055316500.db2.gz IPQWYMBLPOBNDI-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC001236918245 1055316517 /nfs/dbraw/zinc/31/65/17/1055316517.db2.gz IPQWYMBLPOBNDI-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C[C@H]1CC1(C)C ZINC001236915893 1055319384 /nfs/dbraw/zinc/31/93/84/1055319384.db2.gz GOGHQDLOQUTSCG-CQSZACIVSA-N 2 2 303.837 4.004 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C[C@H]1CC1(C)C ZINC001236915893 1055319390 /nfs/dbraw/zinc/31/93/90/1055319390.db2.gz GOGHQDLOQUTSCG-CQSZACIVSA-N 2 2 303.837 4.004 20 0 DIADLP c1sc2ccccc2c1C1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236950296 1055322366 /nfs/dbraw/zinc/32/23/66/1055322366.db2.gz LQCADUWIPIIMNZ-INIZCTEOSA-N 2 2 314.498 4.223 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(s1)CCC2 ZINC000765358547 1055368456 /nfs/dbraw/zinc/36/84/56/1055368456.db2.gz IKEQZMMHBDICTL-CQSZACIVSA-N 2 2 323.465 4.273 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237106851 1055370393 /nfs/dbraw/zinc/37/03/93/1055370393.db2.gz JYNIAAJGTPPHKS-HXUWFJFHSA-N 2 2 322.452 4.311 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001237106851 1055370407 /nfs/dbraw/zinc/37/04/07/1055370407.db2.gz JYNIAAJGTPPHKS-HXUWFJFHSA-N 2 2 322.452 4.311 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000765361888 1055371739 /nfs/dbraw/zinc/37/17/39/1055371739.db2.gz ZSZJVSRXUFOBJX-CVEARBPZSA-N 2 2 323.415 4.466 20 0 DIADLP Cc1c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc(F)c1F ZINC001237154993 1055386991 /nfs/dbraw/zinc/38/69/91/1055386991.db2.gz CNFOYFMSKNOWFT-KRWDZBQOSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc(F)c1F ZINC001237154993 1055387007 /nfs/dbraw/zinc/38/70/07/1055387007.db2.gz CNFOYFMSKNOWFT-KRWDZBQOSA-N 2 2 322.443 4.114 20 0 DIADLP CC(C)c1ccc(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237304504 1055423152 /nfs/dbraw/zinc/42/31/52/1055423152.db2.gz JHDOKMJDKSZCMS-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP CC(C)c1ccc(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237304504 1055423161 /nfs/dbraw/zinc/42/31/61/1055423161.db2.gz JHDOKMJDKSZCMS-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001237352846 1055436601 /nfs/dbraw/zinc/43/66/01/1055436601.db2.gz KEJPNAGDVZCLTN-UHFFFAOYSA-N 2 2 320.908 4.407 20 0 DIADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3c(F)cccc23)CC1 ZINC001237518264 1055467291 /nfs/dbraw/zinc/46/72/91/1055467291.db2.gz MDTMLCVDSOYREB-UHFFFAOYSA-N 2 2 312.432 4.038 20 0 DIADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3c(F)cccc23)CC1 ZINC001237518264 1055467298 /nfs/dbraw/zinc/46/72/98/1055467298.db2.gz MDTMLCVDSOYREB-UHFFFAOYSA-N 2 2 312.432 4.038 20 0 DIADLP Cc1c(Cl)ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1F ZINC001238523435 1055679000 /nfs/dbraw/zinc/67/90/00/1055679000.db2.gz UOTGRTRBAGDDSN-UHFFFAOYSA-N 2 2 312.860 4.092 20 0 DIADLP Cc1c(Cl)ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1F ZINC001238523435 1055679007 /nfs/dbraw/zinc/67/90/07/1055679007.db2.gz UOTGRTRBAGDDSN-UHFFFAOYSA-N 2 2 312.860 4.092 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2cc(C)cc(SC)c2)CC1 ZINC001238686527 1055721345 /nfs/dbraw/zinc/72/13/45/1055721345.db2.gz WFQHAVXVKIJFFI-UHFFFAOYSA-N 2 2 306.519 4.023 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000671706471 1055772386 /nfs/dbraw/zinc/77/23/86/1055772386.db2.gz BENFXWQIZARPHA-OAHLLOKOSA-N 2 2 317.392 4.469 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3csc4ccccc34)c2)C1 ZINC001238892157 1055782872 /nfs/dbraw/zinc/78/28/72/1055782872.db2.gz FKQLRGOVZFXKMY-MRXNPFEDSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3csc4ccccc34)c2)C1 ZINC001238892157 1055782883 /nfs/dbraw/zinc/78/28/83/1055782883.db2.gz FKQLRGOVZFXKMY-MRXNPFEDSA-N 2 2 308.450 4.101 20 0 DIADLP C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000282205247 1055799387 /nfs/dbraw/zinc/79/93/87/1055799387.db2.gz HBOIEQHFRCSDJO-VQCLRJIVSA-N 2 2 319.399 4.347 20 0 DIADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001620788303 1055964250 /nfs/dbraw/zinc/96/42/50/1055964250.db2.gz DARBMXZIBGOMDH-QXAKKESOSA-N 2 2 318.505 4.053 20 0 DIADLP CCC[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC001620665168 1055979645 /nfs/dbraw/zinc/97/96/45/1055979645.db2.gz XXILVZGRRNXELY-HXUWFJFHSA-N 2 2 312.501 4.472 20 0 DIADLP CCC[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC001620665168 1055979653 /nfs/dbraw/zinc/97/96/53/1055979653.db2.gz XXILVZGRRNXELY-HXUWFJFHSA-N 2 2 312.501 4.472 20 0 DIADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001621036377 1055998055 /nfs/dbraw/zinc/99/80/55/1055998055.db2.gz DEORCGOIFGWKIK-LJQANCHMSA-N 2 2 300.490 4.190 20 0 DIADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001621036377 1055998063 /nfs/dbraw/zinc/99/80/63/1055998063.db2.gz DEORCGOIFGWKIK-LJQANCHMSA-N 2 2 300.490 4.190 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316056 1056017810 /nfs/dbraw/zinc/01/78/10/1056017810.db2.gz WXNHQASTPOHACS-PBHICJAKSA-N 2 2 303.475 4.334 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316056 1056017821 /nfs/dbraw/zinc/01/78/21/1056017821.db2.gz WXNHQASTPOHACS-PBHICJAKSA-N 2 2 303.475 4.334 20 0 DIADLP CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316058 1056018419 /nfs/dbraw/zinc/01/84/19/1056018419.db2.gz WXNHQASTPOHACS-WMLDXEAASA-N 2 2 303.475 4.334 20 0 DIADLP CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316058 1056018432 /nfs/dbraw/zinc/01/84/32/1056018432.db2.gz WXNHQASTPOHACS-WMLDXEAASA-N 2 2 303.475 4.334 20 0 DIADLP c1c[nH+]c(-c2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2)[nH]1 ZINC001240058325 1056291800 /nfs/dbraw/zinc/29/18/00/1056291800.db2.gz IKBASNPFEZQYNY-UHFFFAOYSA-N 2 2 303.409 4.340 20 0 DIADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474460881 1056314446 /nfs/dbraw/zinc/31/44/46/1056314446.db2.gz NPCDTSQZSIRDBY-WXLSXGNJSA-N 2 2 320.443 4.208 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713462 1056339265 /nfs/dbraw/zinc/33/92/65/1056339265.db2.gz XFTUQHIZPGKHEV-SLTXQBBLSA-N 2 2 320.443 4.208 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474713462 1056339281 /nfs/dbraw/zinc/33/92/81/1056339281.db2.gz XFTUQHIZPGKHEV-SLTXQBBLSA-N 2 2 320.443 4.208 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474716746 1056344071 /nfs/dbraw/zinc/34/40/71/1056344071.db2.gz DIXUNHXWRKHNDB-LMPOIIKSSA-N 2 2 322.459 4.310 20 0 DIADLP COc1cc2[nH+]c[nH]c2cc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240370744 1056456824 /nfs/dbraw/zinc/45/68/24/1056456824.db2.gz WBKSKYFSQFETPU-UHFFFAOYSA-N 2 2 309.413 4.127 20 0 DIADLP CC1CCC([N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)CC1 ZINC001615195787 1056473827 /nfs/dbraw/zinc/47/38/27/1056473827.db2.gz WKHCUVDWRLMSAG-UHFFFAOYSA-N 2 2 309.457 4.415 20 0 DIADLP CC1CCC([N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)CC1 ZINC001615195787 1056473832 /nfs/dbraw/zinc/47/38/32/1056473832.db2.gz WKHCUVDWRLMSAG-UHFFFAOYSA-N 2 2 309.457 4.415 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC001615563673 1056537152 /nfs/dbraw/zinc/53/71/52/1056537152.db2.gz WWILQMITHBFLEL-MBOZVWFJSA-N 2 2 309.457 4.334 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC001615563673 1056537166 /nfs/dbraw/zinc/53/71/66/1056537166.db2.gz WWILQMITHBFLEL-MBOZVWFJSA-N 2 2 309.457 4.334 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896728 1056594109 /nfs/dbraw/zinc/59/41/09/1056594109.db2.gz ZOIJIJLQSBSHEG-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896728 1056594125 /nfs/dbraw/zinc/59/41/25/1056594125.db2.gz ZOIJIJLQSBSHEG-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896728 1056594138 /nfs/dbraw/zinc/59/41/38/1056594138.db2.gz ZOIJIJLQSBSHEG-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896728 1056594151 /nfs/dbraw/zinc/59/41/51/1056594151.db2.gz ZOIJIJLQSBSHEG-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001616824847 1056723482 /nfs/dbraw/zinc/72/34/82/1056723482.db2.gz TVFHXBXTHCEWBF-PMACEKPBSA-N 2 2 320.496 4.245 20 0 DIADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC001616824847 1056723494 /nfs/dbraw/zinc/72/34/94/1056723494.db2.gz TVFHXBXTHCEWBF-PMACEKPBSA-N 2 2 320.496 4.245 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4ccccc4c3)c2)C1 ZINC001240911743 1056756663 /nfs/dbraw/zinc/75/66/63/1056756663.db2.gz XWZZZAZJTGYKST-OAQYLSRUSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4ccccc4c3)c2)C1 ZINC001240911743 1056756674 /nfs/dbraw/zinc/75/66/74/1056756674.db2.gz XWZZZAZJTGYKST-OAQYLSRUSA-N 2 2 302.421 4.040 20 0 DIADLP Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c2ccccc12 ZINC001241005594 1056810396 /nfs/dbraw/zinc/81/03/96/1056810396.db2.gz XIEZDFVKOSPMGS-UHFFFAOYSA-N 2 2 313.404 4.150 20 0 DIADLP CCCCc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001241052931 1056848595 /nfs/dbraw/zinc/84/85/95/1056848595.db2.gz KEGDASRKYHOTBP-UHFFFAOYSA-N 2 2 305.425 4.031 20 0 DIADLP CCCCOc1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241294697 1057000881 /nfs/dbraw/zinc/00/08/81/1057000881.db2.gz JIABGURNMXCEQO-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241294697 1057000887 /nfs/dbraw/zinc/00/08/87/1057000887.db2.gz JIABGURNMXCEQO-LJQANCHMSA-N 2 2 324.468 4.066 20 0 DIADLP c1cn(-c2ccc(C3=CC[N@H+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC001241504378 1057074927 /nfs/dbraw/zinc/07/49/27/1057074927.db2.gz SUUMBWMYBRAKBL-UHFFFAOYSA-N 2 2 315.420 4.162 20 0 DIADLP c1cn(-c2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC001241504378 1057074934 /nfs/dbraw/zinc/07/49/34/1057074934.db2.gz SUUMBWMYBRAKBL-UHFFFAOYSA-N 2 2 315.420 4.162 20 0 DIADLP Cc1cc[nH+]c(C)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241759965 1057159536 /nfs/dbraw/zinc/15/95/36/1057159536.db2.gz PZCWLEHSUIJVHV-UHFFFAOYSA-N 2 2 310.441 4.230 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCCCC1 ZINC000674049196 1057191053 /nfs/dbraw/zinc/19/10/53/1057191053.db2.gz KMAYEWQGWKBWQK-APWZRJJASA-N 2 2 311.473 4.262 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094325 1057263966 /nfs/dbraw/zinc/26/39/66/1057263966.db2.gz YHKCJNCUYVTADL-OXJNMPFZSA-N 2 2 323.484 4.272 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000658094325 1057263971 /nfs/dbraw/zinc/26/39/71/1057263971.db2.gz YHKCJNCUYVTADL-OXJNMPFZSA-N 2 2 323.484 4.272 20 0 DIADLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000766081070 1057297953 /nfs/dbraw/zinc/29/79/53/1057297953.db2.gz KDMHFKIAZBIINR-OAQYLSRUSA-N 2 2 323.484 4.033 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000675919906 1057430856 /nfs/dbraw/zinc/43/08/56/1057430856.db2.gz PKERIMQRGOKSEP-YLJYHZDGSA-N 2 2 319.452 4.363 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccsc1 ZINC000675917700 1057431143 /nfs/dbraw/zinc/43/11/43/1057431143.db2.gz BFGGWOOXTUBJKI-PBHICJAKSA-N 2 2 311.454 4.116 20 0 DIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(F)c1 ZINC000675918298 1057431169 /nfs/dbraw/zinc/43/11/69/1057431169.db2.gz GCRYKJPCGQAOLN-HNAYVOBHSA-N 2 2 323.415 4.194 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC000675923707 1057432096 /nfs/dbraw/zinc/43/20/96/1057432096.db2.gz TYMOMAMBLJXWII-AQNXPRMDSA-N 2 2 323.484 4.262 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC000675923706 1057432188 /nfs/dbraw/zinc/43/21/88/1057432188.db2.gz TYMOMAMBLJXWII-AABGKKOBSA-N 2 2 323.484 4.262 20 0 DIADLP Fc1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc1-n1cc[nH+]c1 ZINC001242694938 1057450577 /nfs/dbraw/zinc/45/05/77/1057450577.db2.gz ATDOFDZKMXTKBD-KRWDZBQOSA-N 2 2 311.404 4.043 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000510537262 1057616047 /nfs/dbraw/zinc/61/60/47/1057616047.db2.gz HOMCMGMGVHAPBC-HXUWFJFHSA-N 2 2 317.436 4.456 20 0 DIADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000510537262 1057616055 /nfs/dbraw/zinc/61/60/55/1057616055.db2.gz HOMCMGMGVHAPBC-HXUWFJFHSA-N 2 2 317.436 4.456 20 0 DIADLP c1c[nH+]c(C2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)[nH]1 ZINC000512364550 1057618390 /nfs/dbraw/zinc/61/83/90/1057618390.db2.gz IETDPICBDJXTHU-UHFFFAOYSA-N 2 2 317.436 4.456 20 0 DIADLP CC[NH+](CC)Cc1ccccc1-c1cc2[nH]c[nH+]c2cc1OC ZINC001243338122 1057651164 /nfs/dbraw/zinc/65/11/64/1057651164.db2.gz UEMKEYLLKFOEDN-UHFFFAOYSA-N 2 2 309.413 4.080 20 0 DIADLP Fc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1[C@@H]1CCC[NH2+]1 ZINC001243663609 1057748666 /nfs/dbraw/zinc/74/86/66/1057748666.db2.gz YGLLSWLFYTXTET-FQEVSTJZSA-N 2 2 321.399 4.162 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(C4CCC4)c3)cc2)C1 ZINC001244980748 1058085257 /nfs/dbraw/zinc/08/52/57/1058085257.db2.gz KKZCCZKJLHNLOY-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(C4CCC4)c3)cc2)C1 ZINC001244980748 1058085262 /nfs/dbraw/zinc/08/52/62/1058085262.db2.gz KKZCCZKJLHNLOY-NRFANRHFSA-N 2 2 306.453 4.154 20 0 DIADLP CC[NH+](CC)Cc1cccc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001245199830 1058126855 /nfs/dbraw/zinc/12/68/55/1058126855.db2.gz FUTTUTSFZLEFDI-UHFFFAOYSA-N 2 2 319.452 4.440 20 0 DIADLP C[N@@H+]1CC[C@H](c2ccc(-c3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC001245200054 1058127065 /nfs/dbraw/zinc/12/70/65/1058127065.db2.gz DILOXBXPSNZGIE-FQEVSTJZSA-N 2 2 317.436 4.018 20 0 DIADLP C[N@H+]1CC[C@H](c2ccc(-c3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC001245200054 1058127068 /nfs/dbraw/zinc/12/70/68/1058127068.db2.gz DILOXBXPSNZGIE-FQEVSTJZSA-N 2 2 317.436 4.018 20 0 DIADLP Cn1c[nH+]cc1-c1cccc(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001245526494 1058202173 /nfs/dbraw/zinc/20/21/73/1058202173.db2.gz KMFWFTWWPJPJAL-UHFFFAOYSA-N 2 2 317.436 4.221 20 0 DIADLP Cc1c(C)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1Cl ZINC001245689812 1058352804 /nfs/dbraw/zinc/35/28/04/1058352804.db2.gz LIOIRTBKYPZVPJ-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1Cl ZINC001245689812 1058352819 /nfs/dbraw/zinc/35/28/19/1058352819.db2.gz LIOIRTBKYPZVPJ-QGZVFWFLSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC001245690489 1058355709 /nfs/dbraw/zinc/35/57/09/1058355709.db2.gz SBNPPOWDJZUDHL-MRXNPFEDSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1c(C)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC001245690489 1058355719 /nfs/dbraw/zinc/35/57/19/1058355719.db2.gz SBNPPOWDJZUDHL-MRXNPFEDSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(C)c1Cl ZINC001245825320 1058519181 /nfs/dbraw/zinc/51/91/81/1058519181.db2.gz DJXYWNJXPOORPQ-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(C)c1Cl ZINC001245825320 1058519201 /nfs/dbraw/zinc/51/92/01/1058519201.db2.gz DJXYWNJXPOORPQ-KRWDZBQOSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001245913287 1058615947 /nfs/dbraw/zinc/61/59/47/1058615947.db2.gz PPMDCGHGVJJHNM-UHFFFAOYSA-N 2 2 309.457 4.241 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246073844 1058663455 /nfs/dbraw/zinc/66/34/55/1058663455.db2.gz AIFWJZSOYZUPIJ-PXAZEXFGSA-N 2 2 323.267 4.214 20 0 DIADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246116504 1058684761 /nfs/dbraw/zinc/68/47/61/1058684761.db2.gz MXJKEXBXNXKUSO-NORZTCDRSA-N 2 2 315.288 4.421 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(C)c2Cl)CC[NH2+]1 ZINC001246159252 1058704039 /nfs/dbraw/zinc/70/40/39/1058704039.db2.gz OPSUXBHUVXPEJM-UONOGXRCSA-N 2 2 312.860 4.188 20 0 DIADLP CCCCCC[C@@H](CC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246189273 1058729842 /nfs/dbraw/zinc/72/98/42/1058729842.db2.gz INWQLPSZUBFWMV-CABCVRRESA-N 2 2 308.432 4.256 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246175816 1058718495 /nfs/dbraw/zinc/71/84/95/1058718495.db2.gz MZBQOKWLROJKMA-WDNDVIMCSA-N 2 2 315.288 4.392 20 0 DIADLP Fc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246180930 1058727845 /nfs/dbraw/zinc/72/78/45/1058727845.db2.gz SZEDRICOTGVTMX-SJLPKXTDSA-N 2 2 318.823 4.062 20 0 DIADLP CCCCCC[C@H](CC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246189275 1058730545 /nfs/dbraw/zinc/73/05/45/1058730545.db2.gz INWQLPSZUBFWMV-GJZGRUSLSA-N 2 2 308.432 4.256 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246209195 1058743266 /nfs/dbraw/zinc/74/32/66/1058743266.db2.gz GALACUAQQRDASZ-HUUCEWRRSA-N 2 2 306.881 4.230 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246228273 1058750613 /nfs/dbraw/zinc/75/06/13/1058750613.db2.gz WZSQWTQZIGWGSR-QWHCGFSZSA-N 2 2 316.823 4.019 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@H](CC)[NH2+]1 ZINC001246229585 1058752710 /nfs/dbraw/zinc/75/27/10/1058752710.db2.gz DMRWNCHWIPKDPS-CLLJXQQHSA-N 2 2 316.823 4.017 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@@H](CC)[NH2+]1 ZINC001246229593 1058753582 /nfs/dbraw/zinc/75/35/82/1058753582.db2.gz DMRWNCHWIPKDPS-VXGBXAGGSA-N 2 2 316.823 4.017 20 0 DIADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246252270 1058770003 /nfs/dbraw/zinc/77/00/03/1058770003.db2.gz HFNWFIXMSONFRQ-HUBLWGQQSA-N 2 2 315.288 4.421 20 0 DIADLP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC001246254365 1058773272 /nfs/dbraw/zinc/77/32/72/1058773272.db2.gz QAKNOPCQFNVLJZ-WUHRBBMRSA-N 2 2 313.272 4.317 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1Cl ZINC001246254035 1058775113 /nfs/dbraw/zinc/77/51/13/1058775113.db2.gz NVTCBRBTQPVHTO-VXGBXAGGSA-N 2 2 313.272 4.319 20 0 DIADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001246262934 1058779430 /nfs/dbraw/zinc/77/94/30/1058779430.db2.gz JLVSYNGSGANULD-IEBWSBKVSA-N 2 2 314.860 4.231 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001246260677 1058780520 /nfs/dbraw/zinc/78/05/20/1058780520.db2.gz JKTYTJNCTHELFX-VMDGZTHMSA-N 2 2 316.395 4.109 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC001246260684 1058780954 /nfs/dbraw/zinc/78/09/54/1058780954.db2.gz JKTYTJNCTHELFX-ZNOIYHFQSA-N 2 2 316.395 4.109 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)c1 ZINC001246262931 1058782058 /nfs/dbraw/zinc/78/20/58/1058782058.db2.gz JLVSYNGSGANULD-HKUYNNGSSA-N 2 2 314.860 4.231 20 0 DIADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001246279572 1058793820 /nfs/dbraw/zinc/79/38/20/1058793820.db2.gz MXCBHBHIAYFNSJ-SJKOYZFVSA-N 2 2 323.267 4.214 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001246279564 1058796705 /nfs/dbraw/zinc/79/67/05/1058796705.db2.gz MPEJOYLFEKHUFA-SUMWQHHRSA-N 2 2 320.889 4.110 20 0 DIADLP [NH3+][C@@H](C[NH2+]C1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC001246281127 1058800103 /nfs/dbraw/zinc/80/01/03/1058800103.db2.gz ZULOZOGZJQTIIK-IRQNMHNUSA-N 2 2 320.480 4.103 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)c1c(F)cccc1F ZINC001246318290 1058831333 /nfs/dbraw/zinc/83/13/33/1058831333.db2.gz SNSJUCRZENACED-KBPBESRZSA-N 2 2 308.416 4.070 20 0 DIADLP CC(C)([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1F ZINC001246349599 1058862029 /nfs/dbraw/zinc/86/20/29/1058862029.db2.gz NBMFBATWZHVZJE-VQIMIIECSA-N 2 2 312.432 4.144 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(F)c1F ZINC001246380856 1058883725 /nfs/dbraw/zinc/88/37/25/1058883725.db2.gz YSUCFBQQWYLCLZ-QIIPPGSGSA-N 2 2 316.395 4.109 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)C[C@H](CC)[NH2+]1 ZINC001246461149 1058942948 /nfs/dbraw/zinc/94/29/48/1058942948.db2.gz WLYIORTVXBTMRD-JYYAWHABSA-N 2 2 321.896 4.085 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2c(F)cccc2F)CC[NH2+]1 ZINC001246469518 1058955369 /nfs/dbraw/zinc/95/53/69/1058955369.db2.gz RDTNSDTWJCLKEL-KEYYUXOJSA-N 2 2 310.432 4.316 20 0 DIADLP CC[C@H]([NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)c1c(F)cccc1F ZINC001246470480 1058956920 /nfs/dbraw/zinc/95/69/20/1058956920.db2.gz ZGQORWRHQDUUHE-CFAJVAMVSA-N 2 2 310.432 4.315 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2Cl)CC[NH2+]1 ZINC001246485892 1058961973 /nfs/dbraw/zinc/96/19/73/1058961973.db2.gz BKJBEYWCZZRWHG-MCIONIFRSA-N 2 2 312.860 4.441 20 0 DIADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC001246508147 1058978185 /nfs/dbraw/zinc/97/81/85/1058978185.db2.gz DKDBDYVJRSGKMX-CNBHCMJISA-N 2 2 324.468 4.011 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001246509469 1058978743 /nfs/dbraw/zinc/97/87/43/1058978743.db2.gz IBNTVWUVMJHDBJ-DSKINZAPSA-N 2 2 324.468 4.011 20 0 DIADLP Clc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246536496 1058990515 /nfs/dbraw/zinc/99/05/15/1058990515.db2.gz FYWORQLWFODWAX-SFHVURJKSA-N 2 2 318.892 4.153 20 0 DIADLP Clc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246536496 1058990532 /nfs/dbraw/zinc/99/05/32/1058990532.db2.gz FYWORQLWFODWAX-SFHVURJKSA-N 2 2 318.892 4.153 20 0 DIADLP CC(C)[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538941 1058994380 /nfs/dbraw/zinc/99/43/80/1058994380.db2.gz PMRDIERKIZEOAQ-GDBMZVCRSA-N 2 2 315.288 4.202 20 0 DIADLP CC(C)[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538941 1058994396 /nfs/dbraw/zinc/99/43/96/1058994396.db2.gz PMRDIERKIZEOAQ-GDBMZVCRSA-N 2 2 315.288 4.202 20 0 DIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838959 1059117494 /nfs/dbraw/zinc/11/74/94/1059117494.db2.gz KTXBIMFSAXFHTI-VXGBXAGGSA-N 2 2 308.878 4.127 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838959 1059117503 /nfs/dbraw/zinc/11/75/03/1059117503.db2.gz KTXBIMFSAXFHTI-VXGBXAGGSA-N 2 2 308.878 4.127 20 0 DIADLP C[N@H+](C/C=C/c1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846099 1059124267 /nfs/dbraw/zinc/12/42/67/1059124267.db2.gz PBFHXCPZZPRLSC-WTUWHVHBSA-N 2 2 306.453 4.125 20 0 DIADLP C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846099 1059124275 /nfs/dbraw/zinc/12/42/75/1059124275.db2.gz PBFHXCPZZPRLSC-WTUWHVHBSA-N 2 2 306.453 4.125 20 0 DIADLP CC[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246842969 1059124745 /nfs/dbraw/zinc/12/47/45/1059124745.db2.gz AOUAXCBYLYGFIT-UYAOXDASSA-N 2 2 312.432 4.141 20 0 DIADLP CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246842969 1059124760 /nfs/dbraw/zinc/12/47/60/1059124760.db2.gz AOUAXCBYLYGFIT-UYAOXDASSA-N 2 2 312.432 4.141 20 0 DIADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869968 1059140990 /nfs/dbraw/zinc/14/09/90/1059140990.db2.gz IYDNJLOQPPFZID-JKSUJKDBSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246869968 1059141009 /nfs/dbraw/zinc/14/10/09/1059141009.db2.gz IYDNJLOQPPFZID-JKSUJKDBSA-N 2 2 306.881 4.009 20 0 DIADLP Clc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246867999 1059142952 /nfs/dbraw/zinc/14/29/52/1059142952.db2.gz KSCHVDPQZDEAPE-RBUKOAKNSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246867999 1059142955 /nfs/dbraw/zinc/14/29/55/1059142955.db2.gz KSCHVDPQZDEAPE-RBUKOAKNSA-N 2 2 312.844 4.149 20 0 DIADLP C[C@@H]1CC[C@@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC001246877239 1059146057 /nfs/dbraw/zinc/14/60/57/1059146057.db2.gz AOGQLFABBIDUFT-UKRRQHHQSA-N 2 2 324.921 4.037 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+](C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246905750 1059167612 /nfs/dbraw/zinc/16/76/12/1059167612.db2.gz BFFDWJAMXHZUMG-KEYYUXOJSA-N 2 2 308.897 4.500 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246905750 1059167615 /nfs/dbraw/zinc/16/76/15/1059167615.db2.gz BFFDWJAMXHZUMG-KEYYUXOJSA-N 2 2 308.897 4.500 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905773 1059168427 /nfs/dbraw/zinc/16/84/27/1059168427.db2.gz BNBZQEIRKRVETJ-CVEARBPZSA-N 2 2 310.432 4.098 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905773 1059168441 /nfs/dbraw/zinc/16/84/41/1059168441.db2.gz BNBZQEIRKRVETJ-CVEARBPZSA-N 2 2 310.432 4.098 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952678 1059198351 /nfs/dbraw/zinc/19/83/51/1059198351.db2.gz LTOSTOYBXGDRCG-HBFSDRIKSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@@H](C)CC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952678 1059198361 /nfs/dbraw/zinc/19/83/61/1059198361.db2.gz LTOSTOYBXGDRCG-HBFSDRIKSA-N 2 2 317.521 4.241 20 0 DIADLP C[C@@H]1CCC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966235 1059212685 /nfs/dbraw/zinc/21/26/85/1059212685.db2.gz VMOFIADGXXFICT-GDBMZVCRSA-N 2 2 322.443 4.098 20 0 DIADLP C[C@@H]1CCC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966235 1059212703 /nfs/dbraw/zinc/21/27/03/1059212703.db2.gz VMOFIADGXXFICT-GDBMZVCRSA-N 2 2 322.443 4.098 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978777 1059222626 /nfs/dbraw/zinc/22/26/26/1059222626.db2.gz MPEMRXKXIIJVJH-VNQPRFMTSA-N 2 2 318.427 4.104 20 0 DIADLP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246978777 1059222643 /nfs/dbraw/zinc/22/26/43/1059222643.db2.gz MPEMRXKXIIJVJH-VNQPRFMTSA-N 2 2 318.427 4.104 20 0 DIADLP Cc1ccc2c(c1)[nH+]c(CC1CCCCC1)n2C1CC[NH2+]CC1 ZINC001247039763 1059258251 /nfs/dbraw/zinc/25/82/51/1059258251.db2.gz LLMSROTXZYYDNR-UHFFFAOYSA-N 2 2 311.473 4.392 20 0 DIADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC001559645389 1059472937 /nfs/dbraw/zinc/47/29/37/1059472937.db2.gz FTKIHFBBGMDQOD-VQTJNVASSA-N 2 2 300.490 4.380 20 0 DIADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC001559645389 1059472951 /nfs/dbraw/zinc/47/29/51/1059472951.db2.gz FTKIHFBBGMDQOD-VQTJNVASSA-N 2 2 300.490 4.380 20 0 DIADLP c1cn(-c2ccc(C[NH+]3CCC4(CCCCC4)CC3)cc2)c[nH+]1 ZINC001559981514 1059787031 /nfs/dbraw/zinc/78/70/31/1059787031.db2.gz RHADKAAOBBLGTA-UHFFFAOYSA-N 2 2 309.457 4.419 20 0 DIADLP CC(C)c1cccc(Nc2ccc(OCCC[NH+](C)C)cc2)[nH+]1 ZINC001248407921 1059819551 /nfs/dbraw/zinc/81/95/51/1059819551.db2.gz KAFSPIOZFSQBPL-UHFFFAOYSA-N 2 2 313.445 4.279 20 0 DIADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC001560069317 1059884312 /nfs/dbraw/zinc/88/43/12/1059884312.db2.gz PWLFURVZIIYCCI-IBGZPJMESA-N 2 2 315.436 4.324 20 0 DIADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117756 1059921493 /nfs/dbraw/zinc/92/14/93/1059921493.db2.gz GUWLIOIWVBOPEJ-NHCUHLMSSA-N 2 2 312.501 4.403 20 0 DIADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117756 1059921506 /nfs/dbraw/zinc/92/15/06/1059921506.db2.gz GUWLIOIWVBOPEJ-NHCUHLMSSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117756 1059921519 /nfs/dbraw/zinc/92/15/19/1059921519.db2.gz GUWLIOIWVBOPEJ-NHCUHLMSSA-N 2 2 312.501 4.403 20 0 DIADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C2CCCCC2)cc1 ZINC001560117756 1059921531 /nfs/dbraw/zinc/92/15/31/1059921531.db2.gz GUWLIOIWVBOPEJ-NHCUHLMSSA-N 2 2 312.501 4.403 20 0 DIADLP CCC[NH+](CCC)CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC001560245439 1060009020 /nfs/dbraw/zinc/00/90/20/1060009020.db2.gz ZVZUREZIJFEBTG-UHFFFAOYSA-N 2 2 322.440 4.369 20 0 DIADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001560258969 1060027902 /nfs/dbraw/zinc/02/79/02/1060027902.db2.gz QFWBUBRUNZTXGP-UHFFFAOYSA-N 2 2 308.897 4.112 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001560290265 1060070939 /nfs/dbraw/zinc/07/09/39/1060070939.db2.gz QYKMASBZQKXJRJ-RDJZCZTQSA-N 2 2 313.420 4.093 20 0 DIADLP CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560311273 1060098623 /nfs/dbraw/zinc/09/86/23/1060098623.db2.gz NSIMQZONQOPNSX-YOEHRIQHSA-N 2 2 303.475 4.382 20 0 DIADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001560318500 1060105066 /nfs/dbraw/zinc/10/50/66/1060105066.db2.gz PFBXDXHOVHCUAW-HUUCEWRRSA-N 2 2 303.475 4.238 20 0 DIADLP CCCC[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560325425 1060112651 /nfs/dbraw/zinc/11/26/51/1060112651.db2.gz JALCRWJKDWJTMU-GOSISDBHSA-N 2 2 318.549 4.484 20 0 DIADLP CCCC[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560325425 1060112657 /nfs/dbraw/zinc/11/26/57/1060112657.db2.gz JALCRWJKDWJTMU-GOSISDBHSA-N 2 2 318.549 4.484 20 0 DIADLP CC[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001560351098 1060136072 /nfs/dbraw/zinc/13/60/72/1060136072.db2.gz ROEORDCMHUTEKS-PXNSSMCTSA-N 2 2 314.517 4.034 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1sc(Cl)c2ccccc21 ZINC001249076571 1060149487 /nfs/dbraw/zinc/14/94/87/1060149487.db2.gz XTWNTZORUHNNCZ-UHFFFAOYSA-N 2 2 319.861 4.273 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1sc(Cl)c2ccccc21 ZINC001249076571 1060149493 /nfs/dbraw/zinc/14/94/93/1060149493.db2.gz XTWNTZORUHNNCZ-UHFFFAOYSA-N 2 2 319.861 4.273 20 0 DIADLP Cc1cc([NH2+]CC(C(C)C)C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001560377961 1060165118 /nfs/dbraw/zinc/16/51/18/1060165118.db2.gz XGHRGQYANHQLCW-UHFFFAOYSA-N 2 2 317.521 4.087 20 0 DIADLP c1ccc(-c2ccccc2C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001560464262 1060254301 /nfs/dbraw/zinc/25/43/01/1060254301.db2.gz WNGNECARPAJSAP-OAQYLSRUSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccccc2C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001560464262 1060254318 /nfs/dbraw/zinc/25/43/18/1060254318.db2.gz WNGNECARPAJSAP-OAQYLSRUSA-N 2 2 320.480 4.460 20 0 DIADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC001560523435 1060322914 /nfs/dbraw/zinc/32/29/14/1060322914.db2.gz FGVVUTXFYTWGJC-UHFFFAOYSA-N 2 2 303.277 4.061 20 0 DIADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC001560523435 1060322933 /nfs/dbraw/zinc/32/29/33/1060322933.db2.gz FGVVUTXFYTWGJC-UHFFFAOYSA-N 2 2 303.277 4.061 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001560615372 1060430345 /nfs/dbraw/zinc/43/03/45/1060430345.db2.gz NTVWQJQZSOFZBC-VQTJNVASSA-N 2 2 314.517 4.424 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001560615372 1060430349 /nfs/dbraw/zinc/43/03/49/1060430349.db2.gz NTVWQJQZSOFZBC-VQTJNVASSA-N 2 2 314.517 4.424 20 0 DIADLP CCc1cccc(Cl)c1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001560636942 1060452588 /nfs/dbraw/zinc/45/25/88/1060452588.db2.gz QVCZZRZCLGTAIG-GDBMZVCRSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001560636942 1060452596 /nfs/dbraw/zinc/45/25/96/1060452596.db2.gz QVCZZRZCLGTAIG-GDBMZVCRSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC001560636942 1060452605 /nfs/dbraw/zinc/45/26/05/1060452605.db2.gz QVCZZRZCLGTAIG-GDBMZVCRSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC001560636942 1060452619 /nfs/dbraw/zinc/45/26/19/1060452619.db2.gz QVCZZRZCLGTAIG-GDBMZVCRSA-N 2 2 308.897 4.207 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CCC12CCCC2 ZINC001560784364 1060644322 /nfs/dbraw/zinc/64/43/22/1060644322.db2.gz MULKITPKMANTAA-GOSISDBHSA-N 2 2 304.522 4.345 20 0 DIADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001560805412 1060666669 /nfs/dbraw/zinc/66/66/69/1060666669.db2.gz FNSTUBCSJMOIPC-RBUKOAKNSA-N 2 2 302.506 4.026 20 0 DIADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001560805412 1060666681 /nfs/dbraw/zinc/66/66/81/1060666681.db2.gz FNSTUBCSJMOIPC-RBUKOAKNSA-N 2 2 302.506 4.026 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001560807339 1060668130 /nfs/dbraw/zinc/66/81/30/1060668130.db2.gz BWBCAOVSUBAZCL-UYAOXDASSA-N 2 2 300.490 4.004 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001560807339 1060668138 /nfs/dbraw/zinc/66/81/38/1060668138.db2.gz BWBCAOVSUBAZCL-UYAOXDASSA-N 2 2 300.490 4.004 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+](Cc2ccccc2)C1 ZINC001560855839 1060713575 /nfs/dbraw/zinc/71/35/75/1060713575.db2.gz DNHARTJRQODMOY-SGZDXZSOSA-N 2 2 314.517 4.311 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC001560855839 1060713588 /nfs/dbraw/zinc/71/35/88/1060713588.db2.gz DNHARTJRQODMOY-SGZDXZSOSA-N 2 2 314.517 4.311 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC001560927267 1060791092 /nfs/dbraw/zinc/79/10/92/1060791092.db2.gz MLZDCBSWPANSBE-HXUWFJFHSA-N 2 2 322.496 4.281 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC001560927267 1060791106 /nfs/dbraw/zinc/79/11/06/1060791106.db2.gz MLZDCBSWPANSBE-HXUWFJFHSA-N 2 2 322.496 4.281 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929286 1060792704 /nfs/dbraw/zinc/79/27/04/1060792704.db2.gz UCENQUDYIVVHKE-ZQIUZPCESA-N 2 2 308.897 4.294 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929286 1060792716 /nfs/dbraw/zinc/79/27/16/1060792716.db2.gz UCENQUDYIVVHKE-ZQIUZPCESA-N 2 2 308.897 4.294 20 0 DIADLP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC001560934658 1060797689 /nfs/dbraw/zinc/79/76/89/1060797689.db2.gz WJXYXGMVKFDYFA-OUNSHVDWSA-N 2 2 316.464 4.068 20 0 DIADLP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC001560934658 1060797694 /nfs/dbraw/zinc/79/76/94/1060797694.db2.gz WJXYXGMVKFDYFA-OUNSHVDWSA-N 2 2 316.464 4.068 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC001560966269 1060830373 /nfs/dbraw/zinc/83/03/73/1060830373.db2.gz SMUVJCPCFZVNTN-JQHSSLGASA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC001560966269 1060830383 /nfs/dbraw/zinc/83/03/83/1060830383.db2.gz SMUVJCPCFZVNTN-JQHSSLGASA-N 2 2 322.443 4.065 20 0 DIADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC001560965838 1060831043 /nfs/dbraw/zinc/83/10/43/1060831043.db2.gz CKJIIEHKQICMSV-HBMCJLEFSA-N 2 2 312.501 4.209 20 0 DIADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC001560965838 1060831054 /nfs/dbraw/zinc/83/10/54/1060831054.db2.gz CKJIIEHKQICMSV-HBMCJLEFSA-N 2 2 312.501 4.209 20 0 DIADLP CC(C)C[C@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001560985624 1060849895 /nfs/dbraw/zinc/84/98/95/1060849895.db2.gz GSZFLWOPUAFHLI-FXAWDEMLSA-N 2 2 315.505 4.065 20 0 DIADLP CC(C)C[C@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001560985624 1060849903 /nfs/dbraw/zinc/84/99/03/1060849903.db2.gz GSZFLWOPUAFHLI-FXAWDEMLSA-N 2 2 315.505 4.065 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2CCC([NH2+]C3CCC3)CC2)c2ccsc2S1 ZINC001561038908 1060890472 /nfs/dbraw/zinc/89/04/72/1060890472.db2.gz DLNWTJCBFGZWBO-BLLLJJGKSA-N 2 2 322.543 4.280 20 0 DIADLP C[C@H]1C[C@H]([NH+]2CCC([NH2+]C3CCC3)CC2)c2ccsc2S1 ZINC001561038909 1060891762 /nfs/dbraw/zinc/89/17/62/1060891762.db2.gz DLNWTJCBFGZWBO-LRDDRELGSA-N 2 2 322.543 4.280 20 0 DIADLP CCc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001473263842 1061040789 /nfs/dbraw/zinc/04/07/89/1061040789.db2.gz ZMRDIJJXPXVEMI-IBGZPJMESA-N 2 2 310.485 4.365 20 0 DIADLP CCc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001473263842 1061040800 /nfs/dbraw/zinc/04/08/00/1061040800.db2.gz ZMRDIJJXPXVEMI-IBGZPJMESA-N 2 2 310.485 4.365 20 0 DIADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001462273662 1061069118 /nfs/dbraw/zinc/06/91/18/1061069118.db2.gz JLKXCMKDVXPGAW-CZUORRHYSA-N 2 2 303.837 4.050 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429681 1061168395 /nfs/dbraw/zinc/16/83/95/1061168395.db2.gz PJTLMJXWONYBHY-NXHRZFHOSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001462429681 1061168400 /nfs/dbraw/zinc/16/84/00/1061168400.db2.gz PJTLMJXWONYBHY-NXHRZFHOSA-N 2 2 320.908 4.439 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462485282 1061203431 /nfs/dbraw/zinc/20/34/31/1061203431.db2.gz HURHGZXNCBLZFQ-IJXRJRJASA-N 2 2 316.464 4.225 20 0 DIADLP F[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462485282 1061203450 /nfs/dbraw/zinc/20/34/50/1061203450.db2.gz HURHGZXNCBLZFQ-IJXRJRJASA-N 2 2 316.464 4.225 20 0 DIADLP CCSc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001462484443 1061203598 /nfs/dbraw/zinc/20/35/98/1061203598.db2.gz BPLQMFANGOSSDB-UHFFFAOYSA-N 2 2 318.530 4.249 20 0 DIADLP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)o2)CC1 ZINC001462510445 1061218871 /nfs/dbraw/zinc/21/88/71/1061218871.db2.gz HLPLEGUKMRFHTR-UHFFFAOYSA-N 2 2 306.494 4.177 20 0 DIADLP Cc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)c1 ZINC001473583139 1061270412 /nfs/dbraw/zinc/27/04/12/1061270412.db2.gz XPWBWCNQHRMDIP-UHFFFAOYSA-N 2 2 317.436 4.350 20 0 DIADLP CC1(C)CC[N@H+](CC[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001462654084 1061319905 /nfs/dbraw/zinc/31/99/05/1061319905.db2.gz MFPFSGDZDVNZHD-UHFFFAOYSA-N 2 2 322.496 4.140 20 0 DIADLP CC1(C)CC[N@@H+](CC[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001462654084 1061319926 /nfs/dbraw/zinc/31/99/26/1061319926.db2.gz MFPFSGDZDVNZHD-UHFFFAOYSA-N 2 2 322.496 4.140 20 0 DIADLP CSc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001473748323 1061392738 /nfs/dbraw/zinc/39/27/38/1061392738.db2.gz XIRAZKXLYBYYHI-SFHVURJKSA-N 2 2 323.465 4.136 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC001473777961 1061405855 /nfs/dbraw/zinc/40/58/55/1061405855.db2.gz LIRGOGHRGDXPLT-UHFFFAOYSA-N 2 2 323.484 4.075 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001473777914 1061405953 /nfs/dbraw/zinc/40/59/53/1061405953.db2.gz JSDDMKTVGVVNLU-IBGZPJMESA-N 2 2 316.464 4.153 20 0 DIADLP CCC[N@H+](CC1CC=CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001473879415 1061448363 /nfs/dbraw/zinc/44/83/63/1061448363.db2.gz IFTNVFZJPIVLLC-UHFFFAOYSA-N 2 2 312.501 4.329 20 0 DIADLP CCC[N@@H+](CC1CC=CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001473879415 1061448367 /nfs/dbraw/zinc/44/83/67/1061448367.db2.gz IFTNVFZJPIVLLC-UHFFFAOYSA-N 2 2 312.501 4.329 20 0 DIADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC001473924751 1061473287 /nfs/dbraw/zinc/47/32/87/1061473287.db2.gz ITEDXYZKIMNJIQ-RXBGNRNISA-N 2 2 308.897 4.309 20 0 DIADLP C[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC1CCCCC1 ZINC001473950144 1061492413 /nfs/dbraw/zinc/49/24/13/1061492413.db2.gz FHMIDKGZQRTNTF-WMZOPIPTSA-N 2 2 305.510 4.494 20 0 DIADLP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C[C@@H](C)C1 ZINC001474001254 1061543083 /nfs/dbraw/zinc/54/30/83/1061543083.db2.gz IQYCQZUJTFMSGS-PIIMJCKOSA-N 2 2 324.578 4.152 20 0 DIADLP C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001474100598 1061647497 /nfs/dbraw/zinc/64/74/97/1061647497.db2.gz VPMOVFUCXCNIBW-AFCDSYGPSA-N 2 2 303.409 4.236 20 0 DIADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3CCc4ccccc43)c2)c[nH+]1 ZINC001474163010 1061706259 /nfs/dbraw/zinc/70/62/59/1061706259.db2.gz DWOYSHDRDLUZBR-INIZCTEOSA-N 2 2 323.465 4.144 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001474218555 1061777675 /nfs/dbraw/zinc/77/76/75/1061777675.db2.gz AOYWIXGUVDXEBQ-NZSAHSFTSA-N 2 2 311.473 4.120 20 0 DIADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001474246722 1061813107 /nfs/dbraw/zinc/81/31/07/1061813107.db2.gz DKZJINKXVXHVTG-WSTZPKSXSA-N 2 2 311.473 4.430 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC001474365985 1061996256 /nfs/dbraw/zinc/99/62/56/1061996256.db2.gz HVFDZNMUKAZPGA-PLNGDYQASA-N 2 2 309.457 4.228 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC001474365986 1061998952 /nfs/dbraw/zinc/99/89/52/1061998952.db2.gz HVFDZNMUKAZPGA-SNAWJCMRSA-N 2 2 309.457 4.228 20 0 DIADLP CSCCCCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474462449 1062140789 /nfs/dbraw/zinc/14/07/89/1062140789.db2.gz CJVLEGIVXFBNHA-HKUYNNGSSA-N 2 2 320.546 4.020 20 0 DIADLP CSCCCCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474462449 1062140801 /nfs/dbraw/zinc/14/08/01/1062140801.db2.gz CJVLEGIVXFBNHA-HKUYNNGSSA-N 2 2 320.546 4.020 20 0 DIADLP C[N@@H+]1CCC[C@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC001254505974 1062148015 /nfs/dbraw/zinc/14/80/15/1062148015.db2.gz MRLJQXVBQAGOQB-ZDUSSCGKSA-N 2 2 313.272 4.056 20 0 DIADLP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC001254505974 1062148028 /nfs/dbraw/zinc/14/80/28/1062148028.db2.gz MRLJQXVBQAGOQB-ZDUSSCGKSA-N 2 2 313.272 4.056 20 0 DIADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001254510272 1062150224 /nfs/dbraw/zinc/15/02/24/1062150224.db2.gz UPFVUOAABVOJLU-LBPRGKRZSA-N 2 2 321.679 4.221 20 0 DIADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC1 ZINC001254510272 1062150228 /nfs/dbraw/zinc/15/02/28/1062150228.db2.gz UPFVUOAABVOJLU-LBPRGKRZSA-N 2 2 321.679 4.221 20 0 DIADLP CC(C)CC[NH+]1CCC([NH2+]Cc2cc(C3CC3)ccc2F)CC1 ZINC001474544549 1062238366 /nfs/dbraw/zinc/23/83/66/1062238366.db2.gz RESSPCLCOMYUSS-UHFFFAOYSA-N 2 2 318.480 4.303 20 0 DIADLP Fc1ccc([C@@H](CC2CCC2)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254848732 1062265085 /nfs/dbraw/zinc/26/50/85/1062265085.db2.gz VSNGBTQLVQBJRR-VQTJNVASSA-N 2 2 316.464 4.131 20 0 DIADLP CC[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254847568 1062265946 /nfs/dbraw/zinc/26/59/46/1062265946.db2.gz IBSDJIZAWGXSBP-WIYYLYMNSA-N 2 2 308.469 4.365 20 0 DIADLP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC001459711480 1062325596 /nfs/dbraw/zinc/32/55/96/1062325596.db2.gz WZWRTZWYODEUKF-SFHVURJKSA-N 2 2 311.473 4.331 20 0 DIADLP Cc1c(C)c(C)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC001459711480 1062325621 /nfs/dbraw/zinc/32/56/21/1062325621.db2.gz WZWRTZWYODEUKF-SFHVURJKSA-N 2 2 311.473 4.331 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001474623662 1062348468 /nfs/dbraw/zinc/34/84/68/1062348468.db2.gz XSYQJCPXNXFLSD-QWHCGFSZSA-N 2 2 314.926 4.185 20 0 DIADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001474623662 1062348487 /nfs/dbraw/zinc/34/84/87/1062348487.db2.gz XSYQJCPXNXFLSD-QWHCGFSZSA-N 2 2 314.926 4.185 20 0 DIADLP Cc1ccc(CCC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001459771432 1062382821 /nfs/dbraw/zinc/38/28/21/1062382821.db2.gz SQDPLBOMUCCXLK-UHFFFAOYSA-N 2 2 324.512 4.428 20 0 DIADLP Cc1ccc(CCC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001459771432 1062382843 /nfs/dbraw/zinc/38/28/43/1062382843.db2.gz SQDPLBOMUCCXLK-UHFFFAOYSA-N 2 2 324.512 4.428 20 0 DIADLP C[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001474682238 1062413170 /nfs/dbraw/zinc/41/31/70/1062413170.db2.gz IRJIRCVDZNBQID-YLJYHZDGSA-N 2 2 305.425 4.018 20 0 DIADLP C[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001474682236 1062414514 /nfs/dbraw/zinc/41/45/14/1062414514.db2.gz IRJIRCVDZNBQID-PXNSSMCTSA-N 2 2 305.425 4.018 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001474707951 1062434843 /nfs/dbraw/zinc/43/48/43/1062434843.db2.gz MIFQEZAWQZFHOC-DBOLQNLKSA-N 2 2 312.501 4.065 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC001474707951 1062434851 /nfs/dbraw/zinc/43/48/51/1062434851.db2.gz MIFQEZAWQZFHOC-DBOLQNLKSA-N 2 2 312.501 4.065 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC001474741091 1062457437 /nfs/dbraw/zinc/45/74/37/1062457437.db2.gz RSKRZYJNDSIUII-KBPBESRZSA-N 2 2 316.942 4.289 20 0 DIADLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2CCC(C(F)(F)F)CC2)cc1 ZINC001255513793 1062469428 /nfs/dbraw/zinc/46/94/28/1062469428.db2.gz ZHJLDPINQHRVBK-UHFFFAOYSA-N 2 2 323.362 4.302 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001459885649 1062472977 /nfs/dbraw/zinc/47/29/77/1062472977.db2.gz WUILQPARLZLPKN-SFHVURJKSA-N 2 2 303.494 4.035 20 0 DIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001459885649 1062472990 /nfs/dbraw/zinc/47/29/90/1062472990.db2.gz WUILQPARLZLPKN-SFHVURJKSA-N 2 2 303.494 4.035 20 0 DIADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CSc2ccc(F)cc2)C1 ZINC001255732134 1062553223 /nfs/dbraw/zinc/55/32/23/1062553223.db2.gz HCHNWRUWVHNPSA-HOCLYGCPSA-N 2 2 324.509 4.159 20 0 DIADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)CSc2ccc(F)cc2)C1 ZINC001255732134 1062553243 /nfs/dbraw/zinc/55/32/43/1062553243.db2.gz HCHNWRUWVHNPSA-HOCLYGCPSA-N 2 2 324.509 4.159 20 0 DIADLP CC(C)[N@H+]([C@@H](C)CSc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255752233 1062574409 /nfs/dbraw/zinc/57/44/09/1062574409.db2.gz XKXQMBUZFDMTKJ-HNNXBMFYSA-N 2 2 324.509 4.111 20 0 DIADLP CC(C)[N@@H+]([C@@H](C)CSc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255752233 1062574432 /nfs/dbraw/zinc/57/44/32/1062574432.db2.gz XKXQMBUZFDMTKJ-HNNXBMFYSA-N 2 2 324.509 4.111 20 0 DIADLP Cc1ccc(C[C@H](C)n2c[nH+]cc2-c2ccc(C[NH3+])cc2)cc1 ZINC001255783798 1062605477 /nfs/dbraw/zinc/60/54/77/1062605477.db2.gz IQXDPRWKGKGUNH-INIZCTEOSA-N 2 2 305.425 4.121 20 0 DIADLP C[C@@H](Cc1ccccc1F)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255858283 1062635496 /nfs/dbraw/zinc/63/54/96/1062635496.db2.gz WXXGPOFOXKMABO-INIZCTEOSA-N 2 2 318.480 4.096 20 0 DIADLP C[C@@H](Cc1ccccc1F)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255858283 1062635507 /nfs/dbraw/zinc/63/55/07/1062635507.db2.gz WXXGPOFOXKMABO-INIZCTEOSA-N 2 2 318.480 4.096 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001255942825 1062665191 /nfs/dbraw/zinc/66/51/91/1062665191.db2.gz BKQQBMUSHOJHME-GFCCVEGCSA-N 2 2 320.374 4.055 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076343 1062697714 /nfs/dbraw/zinc/69/77/14/1062697714.db2.gz FQNQZSGJMWKORP-SFHVURJKSA-N 2 2 304.865 4.104 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076343 1062697722 /nfs/dbraw/zinc/69/77/22/1062697722.db2.gz FQNQZSGJMWKORP-SFHVURJKSA-N 2 2 304.865 4.104 20 0 DIADLP c1ccc(C[NH+](Cc2ccccc2)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078907 1062697989 /nfs/dbraw/zinc/69/79/89/1062697989.db2.gz DZTNMTQVFLJULY-UHFFFAOYSA-N 2 2 320.480 4.316 20 0 DIADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256107178 1062707771 /nfs/dbraw/zinc/70/77/71/1062707771.db2.gz VPWFEPQDWWWHDA-VQTJNVASSA-N 2 2 300.490 4.034 20 0 DIADLP C[C@H]1C[C@@H]([NH+](Cc2ccco2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552932 1062872588 /nfs/dbraw/zinc/87/25/88/1062872588.db2.gz DFYGWWSWWRBYNZ-PXNSSMCTSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@H]1C[C@@H]([NH+](Cc2ccco2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552932 1062872610 /nfs/dbraw/zinc/87/26/10/1062872610.db2.gz DFYGWWSWWRBYNZ-PXNSSMCTSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@H]1C[C@@H]([N@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552932 1062872641 /nfs/dbraw/zinc/87/26/41/1062872641.db2.gz DFYGWWSWWRBYNZ-PXNSSMCTSA-N 2 2 324.468 4.297 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+](Cc2ccco2)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256552932 1062872664 /nfs/dbraw/zinc/87/26/64/1062872664.db2.gz DFYGWWSWWRBYNZ-PXNSSMCTSA-N 2 2 324.468 4.297 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)c1F ZINC001256565555 1062889609 /nfs/dbraw/zinc/88/96/09/1062889609.db2.gz JREMEIIDENGDTL-ZDUSSCGKSA-N 2 2 310.432 4.187 20 0 DIADLP CC[N@H+](Cc1cccc(F)c1F)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576915 1062898218 /nfs/dbraw/zinc/89/82/18/1062898218.db2.gz VRORUJPYKBSCTK-UHFFFAOYSA-N 2 2 310.432 4.050 20 0 DIADLP CC[N@@H+](Cc1cccc(F)c1F)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576915 1062898234 /nfs/dbraw/zinc/89/82/34/1062898234.db2.gz VRORUJPYKBSCTK-UHFFFAOYSA-N 2 2 310.432 4.050 20 0 DIADLP Cc1ccc2c(c1)C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256603629 1062912130 /nfs/dbraw/zinc/91/21/30/1062912130.db2.gz IGHRSTBQZWBIRK-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP Cc1ccc2c(c1)C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256603629 1062912157 /nfs/dbraw/zinc/91/21/57/1062912157.db2.gz IGHRSTBQZWBIRK-UHFFFAOYSA-N 2 2 320.480 4.018 20 0 DIADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H]3c3ccccc3)CC2)cc1 ZINC001256609188 1062914737 /nfs/dbraw/zinc/91/47/37/1062914737.db2.gz JRYBOZUSPPVPFU-NRFANRHFSA-N 2 2 306.453 4.098 20 0 DIADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@H]3c3ccccc3)CC2)cc1 ZINC001256609188 1062914760 /nfs/dbraw/zinc/91/47/60/1062914760.db2.gz JRYBOZUSPPVPFU-NRFANRHFSA-N 2 2 306.453 4.098 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001460574653 1062918519 /nfs/dbraw/zinc/91/85/19/1062918519.db2.gz FMKVKXSKJXWSFI-SFHVURJKSA-N 2 2 318.892 4.278 20 0 DIADLP CCC1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256869905 1063022926 /nfs/dbraw/zinc/02/29/26/1063022926.db2.gz ZKUYWTPUMWVHMQ-QXINMDOSSA-N 2 2 301.478 4.127 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001257216164 1063144406 /nfs/dbraw/zinc/14/44/06/1063144406.db2.gz CKTHRMXUQVEBDG-CQSZACIVSA-N 2 2 312.910 4.411 20 0 DIADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001257216164 1063144415 /nfs/dbraw/zinc/14/44/15/1063144415.db2.gz CKTHRMXUQVEBDG-CQSZACIVSA-N 2 2 312.910 4.411 20 0 DIADLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001257250255 1063157577 /nfs/dbraw/zinc/15/75/77/1063157577.db2.gz LHFCLMSPRBRHCF-GOSISDBHSA-N 2 2 306.469 4.267 20 0 DIADLP CCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001257318641 1063202887 /nfs/dbraw/zinc/20/28/87/1063202887.db2.gz GEKJTKIFRJLLEX-HNNXBMFYSA-N 2 2 321.534 4.071 20 0 DIADLP CCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001257318641 1063202909 /nfs/dbraw/zinc/20/29/09/1063202909.db2.gz GEKJTKIFRJLLEX-HNNXBMFYSA-N 2 2 321.534 4.071 20 0 DIADLP CCC[C@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001257324830 1063207679 /nfs/dbraw/zinc/20/76/79/1063207679.db2.gz VBCJJFAMRIBDRV-LFAQGZIKSA-N 2 2 302.506 4.070 20 0 DIADLP CCC[C@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001257324830 1063207696 /nfs/dbraw/zinc/20/76/96/1063207696.db2.gz VBCJJFAMRIBDRV-LFAQGZIKSA-N 2 2 302.506 4.070 20 0 DIADLP CCC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001257324830 1063207715 /nfs/dbraw/zinc/20/77/15/1063207715.db2.gz VBCJJFAMRIBDRV-LFAQGZIKSA-N 2 2 302.506 4.070 20 0 DIADLP CCC[C@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001257324830 1063207735 /nfs/dbraw/zinc/20/77/35/1063207735.db2.gz VBCJJFAMRIBDRV-LFAQGZIKSA-N 2 2 302.506 4.070 20 0 DIADLP CCCCCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001257373675 1063243284 /nfs/dbraw/zinc/24/32/84/1063243284.db2.gz UTNOXNIGZGCVEH-OAHLLOKOSA-N 2 2 307.457 4.138 20 0 DIADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001461088499 1063245525 /nfs/dbraw/zinc/24/55/25/1063245525.db2.gz XRLRGDSCWZERBA-INIZCTEOSA-N 2 2 317.477 4.287 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127379 1063277303 /nfs/dbraw/zinc/27/73/03/1063277303.db2.gz DRZIDQBBZFLBMO-RLLQIKCJSA-N 2 2 314.517 4.455 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461127379 1063277311 /nfs/dbraw/zinc/27/73/11/1063277311.db2.gz DRZIDQBBZFLBMO-RLLQIKCJSA-N 2 2 314.517 4.455 20 0 DIADLP CCCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511313 1063317703 /nfs/dbraw/zinc/31/77/03/1063317703.db2.gz CFTZLALYXXOQIQ-GVDBMIGSSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257511313 1063317720 /nfs/dbraw/zinc/31/77/20/1063317720.db2.gz CFTZLALYXXOQIQ-GVDBMIGSSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257511313 1063317733 /nfs/dbraw/zinc/31/77/33/1063317733.db2.gz CFTZLALYXXOQIQ-GVDBMIGSSA-N 2 2 321.534 4.008 20 0 DIADLP CCCCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257511313 1063317757 /nfs/dbraw/zinc/31/77/57/1063317757.db2.gz CFTZLALYXXOQIQ-GVDBMIGSSA-N 2 2 321.534 4.008 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC001461258738 1063370892 /nfs/dbraw/zinc/37/08/92/1063370892.db2.gz DCGKHWKXSJPEEE-IBGZPJMESA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]CC(C2CC2)C2CC2)C[N@H+]1Cc1ccccc1 ZINC001461258738 1063370906 /nfs/dbraw/zinc/37/09/06/1063370906.db2.gz DCGKHWKXSJPEEE-IBGZPJMESA-N 2 2 312.501 4.065 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC001473133583 1063442036 /nfs/dbraw/zinc/44/20/36/1063442036.db2.gz XOPHWKJUTGBLMD-IBGZPJMESA-N 2 2 318.480 4.078 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC001473133583 1063442045 /nfs/dbraw/zinc/44/20/45/1063442045.db2.gz XOPHWKJUTGBLMD-IBGZPJMESA-N 2 2 318.480 4.078 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccccc2)c(C)c1 ZINC001461370140 1063452644 /nfs/dbraw/zinc/45/26/44/1063452644.db2.gz PMLIUSPQTGNQNX-FQEVSTJZSA-N 2 2 305.425 4.031 20 0 DIADLP c1ccc(C2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001257995346 1063454156 /nfs/dbraw/zinc/45/41/56/1063454156.db2.gz QEYYEUYTXITUJG-SOAGJPPSSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc(C2CCC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001257995346 1063454177 /nfs/dbraw/zinc/45/41/77/1063454177.db2.gz QEYYEUYTXITUJG-SOAGJPPSSA-N 2 2 312.501 4.319 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2F)CC1 ZINC001258001641 1063457816 /nfs/dbraw/zinc/45/78/16/1063457816.db2.gz YKIZAMIZRBYABG-CYBMUJFWSA-N 2 2 312.860 4.250 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258053090 1063484829 /nfs/dbraw/zinc/48/48/29/1063484829.db2.gz UGEFBXHGHYEBAE-ZWKOTPCHSA-N 2 2 302.506 4.169 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258064704 1063493520 /nfs/dbraw/zinc/49/35/20/1063493520.db2.gz RNALIMAQBVLLHG-IRXDYDNUSA-N 2 2 304.478 4.386 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CCC1 ZINC001461442231 1063508104 /nfs/dbraw/zinc/50/81/04/1063508104.db2.gz YDDJIQUXYKTLTB-OALUTQOASA-N 2 2 300.490 4.177 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001258296659 1063593324 /nfs/dbraw/zinc/59/33/24/1063593324.db2.gz YNKMYEZSBOYXCG-CVEARBPZSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001258296659 1063593342 /nfs/dbraw/zinc/59/33/42/1063593342.db2.gz YNKMYEZSBOYXCG-CVEARBPZSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001258296662 1063595350 /nfs/dbraw/zinc/59/53/50/1063595350.db2.gz YNKMYEZSBOYXCG-JKSUJKDBSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001258296662 1063595367 /nfs/dbraw/zinc/59/53/67/1063595367.db2.gz YNKMYEZSBOYXCG-JKSUJKDBSA-N 2 2 324.534 4.144 20 0 DIADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001258296974 1063596316 /nfs/dbraw/zinc/59/63/16/1063596316.db2.gz FJCHYOXRZUGBTD-OAHLLOKOSA-N 2 2 312.523 4.001 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258306204 1063601545 /nfs/dbraw/zinc/60/15/45/1063601545.db2.gz KQFPQAYWERWDEO-CRAIPNDOSA-N 2 2 324.534 4.144 20 0 DIADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258306204 1063601556 /nfs/dbraw/zinc/60/15/56/1063601556.db2.gz KQFPQAYWERWDEO-CRAIPNDOSA-N 2 2 324.534 4.144 20 0 DIADLP CCCCC(CCCC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258378511 1063625333 /nfs/dbraw/zinc/62/53/33/1063625333.db2.gz NDTNXDJIJDXEQS-UHFFFAOYSA-N 2 2 302.506 4.457 20 0 DIADLP CCCC1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001258530012 1063685265 /nfs/dbraw/zinc/68/52/65/1063685265.db2.gz AOGUTQBIHMRTEV-UHFFFAOYSA-N 2 2 302.462 4.284 20 0 DIADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258609821 1063710426 /nfs/dbraw/zinc/71/04/26/1063710426.db2.gz ZRXKYNVOGHITHX-SFHVURJKSA-N 2 2 318.480 4.301 20 0 DIADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258609821 1063710439 /nfs/dbraw/zinc/71/04/39/1063710439.db2.gz ZRXKYNVOGHITHX-SFHVURJKSA-N 2 2 318.480 4.301 20 0 DIADLP CCC1CCC(C2CCC([NH2+]CCc3[nH+]ccn3C)CC2)CC1 ZINC001258634985 1063718171 /nfs/dbraw/zinc/71/81/71/1063718171.db2.gz NHQFEBCTYKJCHY-UHFFFAOYSA-N 2 2 317.521 4.327 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258711516 1063768260 /nfs/dbraw/zinc/76/82/60/1063768260.db2.gz BMENQTYSSWEMCS-MOPGFXCFSA-N 2 2 311.473 4.324 20 0 DIADLP CCCC[C@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258755873 1063800254 /nfs/dbraw/zinc/80/02/54/1063800254.db2.gz BRTVTUPEBKOBRD-SFHVURJKSA-N 2 2 318.505 4.305 20 0 DIADLP CC[C@H](C[C@@H](C)CC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258800716 1063834468 /nfs/dbraw/zinc/83/44/68/1063834468.db2.gz TVAWPOMAAFAQLJ-DOTOQJQBSA-N 2 2 303.494 4.163 20 0 DIADLP CC(C)C1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001258803329 1063836991 /nfs/dbraw/zinc/83/69/91/1063836991.db2.gz WWIXUMAVVPGLDZ-UHFFFAOYSA-N 2 2 302.462 4.140 20 0 DIADLP C[C@H]1CCC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819732 1063848592 /nfs/dbraw/zinc/84/85/92/1063848592.db2.gz SLBCIBIVXBZLHX-PXNSSMCTSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001258819732 1063848606 /nfs/dbraw/zinc/84/86/06/1063848606.db2.gz SLBCIBIVXBZLHX-PXNSSMCTSA-N 2 2 300.490 4.162 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379627968 1063986119 /nfs/dbraw/zinc/98/61/19/1063986119.db2.gz NFBJQTKOBOYFFV-HKUYNNGSSA-N 2 2 302.506 4.455 20 0 DIADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379627968 1063986129 /nfs/dbraw/zinc/98/61/29/1063986129.db2.gz NFBJQTKOBOYFFV-HKUYNNGSSA-N 2 2 302.506 4.455 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000379674169 1063987480 /nfs/dbraw/zinc/98/74/80/1063987480.db2.gz STUCBZSWJVAYAX-KRWDZBQOSA-N 2 2 324.459 4.312 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000379674169 1063987484 /nfs/dbraw/zinc/98/74/84/1063987484.db2.gz STUCBZSWJVAYAX-KRWDZBQOSA-N 2 2 324.459 4.312 20 0 DIADLP CC(C)CC(CC(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000393396616 1064277628 /nfs/dbraw/zinc/27/76/28/1064277628.db2.gz IJDTURUAYVGYBS-UHFFFAOYSA-N 2 2 303.494 4.101 20 0 DIADLP c1cc2cc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)ccc2[nH]1 ZINC001279376911 1064346244 /nfs/dbraw/zinc/34/62/44/1064346244.db2.gz DMHDALQBLJRIQQ-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP c1cc2cc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)ccc2[nH]1 ZINC001279376911 1064346270 /nfs/dbraw/zinc/34/62/70/1064346270.db2.gz DMHDALQBLJRIQQ-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)C[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001279644214 1064360825 /nfs/dbraw/zinc/36/08/25/1064360825.db2.gz XMEILDJIKUWRFH-WCIQWLHISA-N 2 2 316.533 4.033 20 0 DIADLP Cc1ccc[nH+]c1N1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001280101298 1064380153 /nfs/dbraw/zinc/38/01/53/1064380153.db2.gz CMXPZWLKSXVUFR-FQEVSTJZSA-N 2 2 313.489 4.015 20 0 DIADLP Cc1ccc[nH+]c1N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001280101298 1064380161 /nfs/dbraw/zinc/38/01/61/1064380161.db2.gz CMXPZWLKSXVUFR-FQEVSTJZSA-N 2 2 313.489 4.015 20 0 DIADLP CC(C)c1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001306946688 1065216835 /nfs/dbraw/zinc/21/68/35/1065216835.db2.gz MWWXNFDVVOJHLH-MRXNPFEDSA-N 2 2 318.509 4.256 20 0 DIADLP CC(C)c1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001306946688 1065216838 /nfs/dbraw/zinc/21/68/38/1065216838.db2.gz MWWXNFDVVOJHLH-MRXNPFEDSA-N 2 2 318.509 4.256 20 0 DIADLP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517876 1065458354 /nfs/dbraw/zinc/45/83/54/1065458354.db2.gz GKLVNXHFEAHQIA-DYESRHJHSA-N 2 2 317.436 4.250 20 0 DIADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307517876 1065458362 /nfs/dbraw/zinc/45/83/62/1065458362.db2.gz GKLVNXHFEAHQIA-DYESRHJHSA-N 2 2 317.436 4.250 20 0 DIADLP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)c1C ZINC001307566494 1065485943 /nfs/dbraw/zinc/48/59/43/1065485943.db2.gz KKELYAXSQJQJBN-LJQANCHMSA-N 2 2 302.506 4.191 20 0 DIADLP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)c1C ZINC001307566494 1065485947 /nfs/dbraw/zinc/48/59/47/1065485947.db2.gz KKELYAXSQJQJBN-LJQANCHMSA-N 2 2 302.506 4.191 20 0 DIADLP CCc1ccccc1CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001307586427 1065499024 /nfs/dbraw/zinc/49/90/24/1065499024.db2.gz RRCBTTZFAHJVAE-UHFFFAOYSA-N 2 2 324.512 4.292 20 0 DIADLP CCc1ccccc1CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001307586427 1065499028 /nfs/dbraw/zinc/49/90/28/1065499028.db2.gz RRCBTTZFAHJVAE-UHFFFAOYSA-N 2 2 324.512 4.292 20 0 DIADLP Cc1[nH]c(C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)c(C)[nH+]1 ZINC001307671343 1065552822 /nfs/dbraw/zinc/55/28/22/1065552822.db2.gz YQAYAALKEDLEKZ-MRXNPFEDSA-N 2 2 319.452 4.337 20 0 DIADLP CCSc1ccccc1C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC001308086404 1065755744 /nfs/dbraw/zinc/75/57/44/1065755744.db2.gz MOBCFZONARWKMQ-UHFFFAOYSA-N 2 2 318.530 4.249 20 0 DIADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308167888 1065788013 /nfs/dbraw/zinc/78/80/13/1065788013.db2.gz XLGNLBDZZQANIZ-ZDUSSCGKSA-N 2 2 303.837 4.014 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001308166951 1065788497 /nfs/dbraw/zinc/78/84/97/1065788497.db2.gz ZSZVNPMWDKIJHR-KURKYZTESA-N 2 2 315.505 4.254 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001308166951 1065788509 /nfs/dbraw/zinc/78/85/09/1065788509.db2.gz ZSZVNPMWDKIJHR-KURKYZTESA-N 2 2 315.505 4.254 20 0 DIADLP c1ccc([C@H](C[NH2+]Cc2ccc3c(c2)CCC3)[NH+]2CCCC2)cc1 ZINC001308181871 1065793972 /nfs/dbraw/zinc/79/39/72/1065793972.db2.gz BXPDVTFNYWVBBI-QFIPXVFZSA-N 2 2 320.480 4.102 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308220501 1065826398 /nfs/dbraw/zinc/82/63/98/1065826398.db2.gz BRIFPZRQFUWZDU-DLBZAZTESA-N 2 2 315.436 4.316 20 0 DIADLP COC1(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCCCC1 ZINC001308262513 1065864354 /nfs/dbraw/zinc/86/43/54/1065864354.db2.gz ONSPMTISVHIDGU-KRWDZBQOSA-N 2 2 318.505 4.055 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC001308273775 1065872040 /nfs/dbraw/zinc/87/20/40/1065872040.db2.gz DETWQYAKPPYPIT-MSOLQXFVSA-N 2 2 324.553 4.070 20 0 DIADLP CC1(C)C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc21 ZINC001308319300 1065911329 /nfs/dbraw/zinc/91/13/29/1065911329.db2.gz VIOCXQNQOCBRGX-GOSISDBHSA-N 2 2 323.465 4.446 20 0 DIADLP CC1(C)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc21 ZINC001308319301 1065911558 /nfs/dbraw/zinc/91/15/58/1065911558.db2.gz VIOCXQNQOCBRGX-SFHVURJKSA-N 2 2 323.465 4.446 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001308322397 1065913233 /nfs/dbraw/zinc/91/32/33/1065913233.db2.gz MVRDIBRLCPSZJX-HTAPYJJXSA-N 2 2 320.480 4.234 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001308322397 1065913239 /nfs/dbraw/zinc/91/32/39/1065913239.db2.gz MVRDIBRLCPSZJX-HTAPYJJXSA-N 2 2 320.480 4.234 20 0 DIADLP C[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308361084 1065938661 /nfs/dbraw/zinc/93/86/61/1065938661.db2.gz VYFKREDHPBOKPD-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428403 1065981579 /nfs/dbraw/zinc/98/15/79/1065981579.db2.gz XMSCCYALFPJPBL-SJLPKXTDSA-N 2 2 302.506 4.454 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308428403 1065981595 /nfs/dbraw/zinc/98/15/95/1065981595.db2.gz XMSCCYALFPJPBL-SJLPKXTDSA-N 2 2 302.506 4.454 20 0 DIADLP Cn1c[nH+]cc1CNc1ccc2[nH]c(CC3CCCCC3)[nH+]c2c1 ZINC001308431250 1065983487 /nfs/dbraw/zinc/98/34/87/1065983487.db2.gz XOZWERRIQGVHRF-UHFFFAOYSA-N 2 2 323.444 4.031 20 0 DIADLP C[N@H+](CCC1CCCCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308599576 1066110107 /nfs/dbraw/zinc/11/01/07/1066110107.db2.gz NOFZYDWALFZHIV-UHFFFAOYSA-N 2 2 303.475 4.336 20 0 DIADLP C[N@@H+](CCC1CCCCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308599576 1066110117 /nfs/dbraw/zinc/11/01/17/1066110117.db2.gz NOFZYDWALFZHIV-UHFFFAOYSA-N 2 2 303.475 4.336 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001308719413 1066197302 /nfs/dbraw/zinc/19/73/02/1066197302.db2.gz AFLCSVRXRZVVFB-GOSISDBHSA-N 2 2 322.924 4.373 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001308719413 1066197306 /nfs/dbraw/zinc/19/73/06/1066197306.db2.gz AFLCSVRXRZVVFB-GOSISDBHSA-N 2 2 322.924 4.373 20 0 DIADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001308864754 1066347404 /nfs/dbraw/zinc/34/74/04/1066347404.db2.gz LKYGYBLBPJUCMZ-AZUAARDMSA-N 2 2 302.506 4.108 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001308983006 1066432053 /nfs/dbraw/zinc/43/20/53/1066432053.db2.gz JCTRMYNWYBZVBA-IAGOWNOFSA-N 2 2 301.478 4.174 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001308983006 1066432065 /nfs/dbraw/zinc/43/20/65/1066432065.db2.gz JCTRMYNWYBZVBA-IAGOWNOFSA-N 2 2 301.478 4.174 20 0 DIADLP CC1=CC[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000285048409 131134629 /nfs/dbraw/zinc/13/46/29/131134629.db2.gz IJLRJJZWKFWATO-QGZVFWFLSA-N 2 2 313.489 4.128 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000289284308 131371175 /nfs/dbraw/zinc/37/11/75/131371175.db2.gz OXMLFPNFQRQZTL-NHCUHLMSSA-N 2 2 324.468 4.080 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000289360088 131377924 /nfs/dbraw/zinc/37/79/24/131377924.db2.gz YPWXNINHLVWELW-SFHVURJKSA-N 2 2 323.465 4.158 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCS2 ZINC000151142660 196638222 /nfs/dbraw/zinc/63/82/22/196638222.db2.gz ASMOSDFXCCCWIS-OAHLLOKOSA-N 2 2 321.877 4.143 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000530711931 331620432 /nfs/dbraw/zinc/62/04/32/331620432.db2.gz QLAWFPCSEDUAKY-MRXNPFEDSA-N 2 2 303.837 4.394 20 0 DIADLP Cc1sccc1C[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000559299263 332019231 /nfs/dbraw/zinc/01/92/31/332019231.db2.gz FLFMZXBCVAWWKW-RDTXWAMCSA-N 2 2 302.487 4.146 20 0 DIADLP Cc1sccc1C[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000559299262 332019378 /nfs/dbraw/zinc/01/93/78/332019378.db2.gz FLFMZXBCVAWWKW-KSSFIOAISA-N 2 2 302.487 4.146 20 0 DIADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000518383545 332022721 /nfs/dbraw/zinc/02/27/21/332022721.db2.gz NGROCYZNPPDJDO-UHFFFAOYSA-N 2 2 306.881 4.145 20 0 DIADLP CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132267563 332126302 /nfs/dbraw/zinc/12/63/02/332126302.db2.gz PNSPDCISPGTXAE-CABCVRRESA-N 2 2 303.475 4.055 20 0 DIADLP CCc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000133091248 332136613 /nfs/dbraw/zinc/13/66/13/332136613.db2.gz OSQGVMYZAVIULW-MRXNPFEDSA-N 2 2 305.425 4.286 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000133147329 332137112 /nfs/dbraw/zinc/13/71/12/332137112.db2.gz NYTMSJWHMSAZKZ-UHFFFAOYSA-N 2 2 306.837 4.049 20 0 DIADLP CC(C)C[C@H](C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000368037966 332202117 /nfs/dbraw/zinc/20/21/17/332202117.db2.gz OBHLGFKIPRLDRI-JEYLPNPQSA-N 2 2 320.443 4.064 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(C)sc1C)CCC2 ZINC000363757347 332241600 /nfs/dbraw/zinc/24/16/00/332241600.db2.gz LQHREWHOFCQVPO-DZGCQCFKSA-N 2 2 303.475 4.098 20 0 DIADLP CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559740166 332278408 /nfs/dbraw/zinc/27/84/08/332278408.db2.gz SXUXHCOSFFHDDY-UXHICEINSA-N 2 2 324.468 4.010 20 0 DIADLP CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559740166 332278409 /nfs/dbraw/zinc/27/84/09/332278409.db2.gz SXUXHCOSFFHDDY-UXHICEINSA-N 2 2 324.468 4.010 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559786836 332282079 /nfs/dbraw/zinc/28/20/79/332282079.db2.gz KEXSRWFAZAQAAX-IBGZPJMESA-N 2 2 314.860 4.197 20 0 DIADLP CCSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000560266748 332325424 /nfs/dbraw/zinc/32/54/24/332325424.db2.gz QPSRJQLPSKYQJT-AWEZNQCLSA-N 2 2 315.486 4.182 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)Cc3ccc(O)cc3)cc2)c1C ZINC000560533267 332353719 /nfs/dbraw/zinc/35/37/19/332353719.db2.gz AGZCNSHFYBJAGR-AWEZNQCLSA-N 2 2 321.424 4.238 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cccc(Cl)c1Cl ZINC000561950954 332520991 /nfs/dbraw/zinc/52/09/91/332520991.db2.gz ZGDFADZURFJGNL-UHFFFAOYSA-N 2 2 323.267 4.462 20 0 DIADLP Cc1cc(F)ccc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000320642585 335112828 /nfs/dbraw/zinc/11/28/28/335112828.db2.gz NESVFVHBGKMZQH-HXUWFJFHSA-N 2 2 312.432 4.061 20 0 DIADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427859850 332544961 /nfs/dbraw/zinc/54/49/61/332544961.db2.gz PDZCKULDZBRABJ-SWLSCSKDSA-N 2 2 324.255 4.246 20 0 DIADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2cccs2)cc1 ZINC000427878334 332552233 /nfs/dbraw/zinc/55/22/33/332552233.db2.gz QMWYWBOGAOXYEH-YOEHRIQHSA-N 2 2 323.465 4.277 20 0 DIADLP CC(C)[NH+](CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C(C)C ZINC000569914045 332692488 /nfs/dbraw/zinc/69/24/88/332692488.db2.gz FEJRGABHONDIBM-SFHVURJKSA-N 2 2 320.525 4.130 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000314288602 333098680 /nfs/dbraw/zinc/09/86/80/333098680.db2.gz CESHTROBSARHFK-CYBMUJFWSA-N 2 2 313.832 4.349 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000518774483 333110465 /nfs/dbraw/zinc/11/04/65/333110465.db2.gz KVONYLYNCVFVML-RXVVDRJESA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000518774483 333110467 /nfs/dbraw/zinc/11/04/67/333110467.db2.gz KVONYLYNCVFVML-RXVVDRJESA-N 2 2 308.469 4.229 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463030049 333141571 /nfs/dbraw/zinc/14/15/71/333141571.db2.gz UXUZNYOWQKTDEU-CVEARBPZSA-N 2 2 314.395 4.376 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463030049 333141573 /nfs/dbraw/zinc/14/15/73/333141573.db2.gz UXUZNYOWQKTDEU-CVEARBPZSA-N 2 2 314.395 4.376 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776524 333147538 /nfs/dbraw/zinc/14/75/38/333147538.db2.gz BCXSXMOWMMFZME-RXVVDRJESA-N 2 2 308.469 4.229 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c1 ZINC000518776524 333147539 /nfs/dbraw/zinc/14/75/39/333147539.db2.gz BCXSXMOWMMFZME-RXVVDRJESA-N 2 2 308.469 4.229 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000390519688 333289422 /nfs/dbraw/zinc/28/94/22/333289422.db2.gz FRLBALDGZMSZQR-RDJZCZTQSA-N 2 2 300.471 4.063 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000390519688 333289423 /nfs/dbraw/zinc/28/94/23/333289423.db2.gz FRLBALDGZMSZQR-RDJZCZTQSA-N 2 2 300.471 4.063 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)s1 ZINC000121344070 333385840 /nfs/dbraw/zinc/38/58/40/333385840.db2.gz HEAHVTUYIFCJQN-CQSZACIVSA-N 2 2 315.486 4.080 20 0 DIADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000320042555 333422602 /nfs/dbraw/zinc/42/26/02/333422602.db2.gz KPIDQGDYXUUEOX-LJQANCHMSA-N 2 2 309.457 4.181 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC23CCC3)c(C)c1 ZINC000337496835 333450405 /nfs/dbraw/zinc/45/04/05/333450405.db2.gz YRQBNFHIYWXMBU-RTBURBONSA-N 2 2 309.457 4.164 20 0 DIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC23CCC3)c(C)c1 ZINC000337496827 333450430 /nfs/dbraw/zinc/45/04/30/333450430.db2.gz YRQBNFHIYWXMBU-MOPGFXCFSA-N 2 2 309.457 4.164 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000152259174 333651884 /nfs/dbraw/zinc/65/18/84/333651884.db2.gz KAUZVXAYHGKTBD-LJQANCHMSA-N 2 2 303.409 4.040 20 0 DIADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414047461 333887680 /nfs/dbraw/zinc/88/76/80/333887680.db2.gz BXNWFPZOXPERIB-SJLPKXTDSA-N 2 2 317.864 4.243 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000187757279 334272235 /nfs/dbraw/zinc/27/22/35/334272235.db2.gz MWAVTYJOEIEIGC-HXUWFJFHSA-N 2 2 323.415 4.311 20 0 DIADLP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C)CC3)cc2)c2[nH+]ccn21 ZINC000296329189 334231859 /nfs/dbraw/zinc/23/18/59/334231859.db2.gz GEJYVZSESOUYQY-CRAIPNDOSA-N 2 2 310.445 4.237 20 0 DIADLP Clc1scc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000415041906 334260937 /nfs/dbraw/zinc/26/09/37/334260937.db2.gz LWNLPFLDRSBAAM-CMPLNLGQSA-N 2 2 319.301 4.019 20 0 DIADLP Clc1scc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000415041906 334260938 /nfs/dbraw/zinc/26/09/38/334260938.db2.gz LWNLPFLDRSBAAM-CMPLNLGQSA-N 2 2 319.301 4.019 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc(C)c1F ZINC000531951703 334309532 /nfs/dbraw/zinc/30/95/32/334309532.db2.gz HUJOOJJLUZXLDV-INIZCTEOSA-N 2 2 323.415 4.479 20 0 DIADLP CCC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccsc1 ZINC000443096858 338444518 /nfs/dbraw/zinc/44/45/18/338444518.db2.gz JNDWXWYQVQYGPX-HOCLYGCPSA-N 2 2 303.475 4.261 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccsc1 ZINC000050338517 334382010 /nfs/dbraw/zinc/38/20/10/334382010.db2.gz BEVCOLPRRKBSPX-QAPCUYQASA-N 2 2 300.471 4.236 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000341686297 334470092 /nfs/dbraw/zinc/47/00/92/334470092.db2.gz UNKWYTHFXOCVIF-GOSISDBHSA-N 2 2 323.415 4.151 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417340522 334709961 /nfs/dbraw/zinc/70/99/61/334709961.db2.gz MTRNDLRNHZXFBE-HYVNUMGLSA-N 2 2 323.465 4.216 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000344038595 335211321 /nfs/dbraw/zinc/21/13/21/335211321.db2.gz ACCVELDTKNZXIR-KRWDZBQOSA-N 2 2 323.415 4.302 20 0 DIADLP CS[C@@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C(C)(C)C ZINC000344370744 335245331 /nfs/dbraw/zinc/24/53/31/335245331.db2.gz YHKDCJZJXMBOFQ-KRWDZBQOSA-N 2 2 317.502 4.048 20 0 DIADLP C[C@@H](c1ccco1)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346130414 335379338 /nfs/dbraw/zinc/37/93/38/335379338.db2.gz IFWUOBGNYDHEPH-ZDUSSCGKSA-N 2 2 313.426 4.252 20 0 DIADLP C[C@@H](c1ccco1)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346130414 335379339 /nfs/dbraw/zinc/37/93/39/335379339.db2.gz IFWUOBGNYDHEPH-ZDUSSCGKSA-N 2 2 313.426 4.252 20 0 DIADLP CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156274 335383081 /nfs/dbraw/zinc/38/30/81/335383081.db2.gz ANGFNXRPWHYKSW-DZGCQCFKSA-N 2 2 321.515 4.040 20 0 DIADLP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346156274 335383083 /nfs/dbraw/zinc/38/30/83/335383083.db2.gz ANGFNXRPWHYKSW-DZGCQCFKSA-N 2 2 321.515 4.040 20 0 DIADLP CCS[C@@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168291 335384520 /nfs/dbraw/zinc/38/45/20/335384520.db2.gz DBXCMYVDYOACRM-OAHLLOKOSA-N 2 2 321.515 4.041 20 0 DIADLP CCS[C@@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168291 335384521 /nfs/dbraw/zinc/38/45/21/335384521.db2.gz DBXCMYVDYOACRM-OAHLLOKOSA-N 2 2 321.515 4.041 20 0 DIADLP FC(F)(F)c1cccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000346196892 335389232 /nfs/dbraw/zinc/38/92/32/335389232.db2.gz PGZJYKBPXSKVIL-MRXNPFEDSA-N 2 2 323.362 4.129 20 0 DIADLP FC(F)(F)c1cccc([C@H]2CCCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000346196892 335389234 /nfs/dbraw/zinc/38/92/34/335389234.db2.gz PGZJYKBPXSKVIL-MRXNPFEDSA-N 2 2 323.362 4.129 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000346299612 335393497 /nfs/dbraw/zinc/39/34/97/335393497.db2.gz BWMRWIKFDCDOIG-UHFFFAOYSA-N 2 2 323.415 4.033 20 0 DIADLP C[C@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346304219 335397923 /nfs/dbraw/zinc/39/79/23/335397923.db2.gz HCDBNCJINHDVKF-GOSISDBHSA-N 2 2 305.425 4.147 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346304219 335397925 /nfs/dbraw/zinc/39/79/25/335397925.db2.gz HCDBNCJINHDVKF-GOSISDBHSA-N 2 2 305.425 4.147 20 0 DIADLP CCOc1ccc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1 ZINC000323814131 335626292 /nfs/dbraw/zinc/62/62/92/335626292.db2.gz BQUVKOYYPDGAAX-OAHLLOKOSA-N 2 2 323.440 4.094 20 0 DIADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532206777 335917547 /nfs/dbraw/zinc/91/75/47/335917547.db2.gz APARGBZKJQZHBP-SFHVURJKSA-N 2 2 323.827 4.303 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-c2ccccc2)o1 ZINC000532212092 335919105 /nfs/dbraw/zinc/91/91/05/335919105.db2.gz VFVJKXDTGYYZPE-INIZCTEOSA-N 2 2 309.413 4.274 20 0 DIADLP c1cn(Cc2ccc(NCc3cc4ccccc4s3)[nH+]c2)c[nH+]1 ZINC000351565638 336044539 /nfs/dbraw/zinc/04/45/39/336044539.db2.gz COBNKIRGSVYEKX-UHFFFAOYSA-N 2 2 320.421 4.153 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480779001 336201928 /nfs/dbraw/zinc/20/19/28/336201928.db2.gz ZSSPWEHBKLCYRQ-OAHLLOKOSA-N 2 2 324.559 4.069 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000352348647 336213553 /nfs/dbraw/zinc/21/35/53/336213553.db2.gz CEGRMMQXKFKUKU-UHFFFAOYSA-N 2 2 316.832 4.087 20 0 DIADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)s1 ZINC000352357428 336214069 /nfs/dbraw/zinc/21/40/69/336214069.db2.gz NAFSIGCUYJKEEG-UHFFFAOYSA-N 2 2 316.470 4.112 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000352365648 336214453 /nfs/dbraw/zinc/21/44/53/336214453.db2.gz VBRSUEFBZLJLMH-HNNXBMFYSA-N 2 2 314.404 4.134 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000532465155 336249323 /nfs/dbraw/zinc/24/93/23/336249323.db2.gz KPQMNHIUNNDZSP-OAHLLOKOSA-N 2 2 301.409 4.236 20 0 DIADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000192687721 336258806 /nfs/dbraw/zinc/25/88/06/336258806.db2.gz SDRASVPVLVUCQB-FQEVSTJZSA-N 2 2 324.468 4.220 20 0 DIADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000526949213 336275713 /nfs/dbraw/zinc/27/57/13/336275713.db2.gz NGRVLJFAOFLNGK-QKLQHJQFSA-N 2 2 314.473 4.190 20 0 DIADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000325105857 336279564 /nfs/dbraw/zinc/27/95/64/336279564.db2.gz WLRJYQZSQSQZHS-QFIPXVFZSA-N 2 2 322.496 4.467 20 0 DIADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000481952372 336280398 /nfs/dbraw/zinc/28/03/98/336280398.db2.gz URMDIGAWBDRDSK-RDJZCZTQSA-N 2 2 302.487 4.318 20 0 DIADLP Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)c2ccccc2[nH+]1 ZINC000301082673 336289036 /nfs/dbraw/zinc/28/90/36/336289036.db2.gz QRPUDIPRMFEULT-UHFFFAOYSA-N 2 2 318.424 4.151 20 0 DIADLP C[NH+](C)Cc1ccc(CNc2ccc3ccccc3[nH+]2)cc1F ZINC000301852196 336334091 /nfs/dbraw/zinc/33/40/91/336334091.db2.gz BOAULSZODZCGON-UHFFFAOYSA-N 2 2 309.388 4.048 20 0 DIADLP Cc1cc(NCc2cn3cccc(C)c3[nH+]2)c2cc(F)ccc2[nH+]1 ZINC000302009369 336342994 /nfs/dbraw/zinc/34/29/94/336342994.db2.gz XREWPOJHPGTPMH-UHFFFAOYSA-N 2 2 320.371 4.251 20 0 DIADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000514118822 336369839 /nfs/dbraw/zinc/36/98/39/336369839.db2.gz NNQKVENDWSZZQJ-AWEZNQCLSA-N 2 2 305.491 4.021 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000514118822 336369840 /nfs/dbraw/zinc/36/98/40/336369840.db2.gz NNQKVENDWSZZQJ-AWEZNQCLSA-N 2 2 305.491 4.021 20 0 DIADLP c1cn([C@@H]2CCc3ccccc3[C@@H]2[NH2+]CC2CCCCC2)c[nH+]1 ZINC000514635032 336387042 /nfs/dbraw/zinc/38/70/42/336387042.db2.gz PWUSQPIOKSUZRX-UXHICEINSA-N 2 2 309.457 4.282 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CC(C)(C)CC(C)(C)C1)CCC2 ZINC000355675905 336518883 /nfs/dbraw/zinc/51/88/83/336518883.db2.gz WGMBDBRTEYHYRY-OAHLLOKOSA-N 2 2 303.494 4.263 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C)cc1 ZINC000358216538 336617351 /nfs/dbraw/zinc/61/73/51/336617351.db2.gz GFQWEWYUEWKJHN-NRFANRHFSA-N 2 2 323.484 4.095 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000360028182 336698321 /nfs/dbraw/zinc/69/83/21/336698321.db2.gz CPZONWAYWXESJU-LJQANCHMSA-N 2 2 311.473 4.139 20 0 DIADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000360039216 336698857 /nfs/dbraw/zinc/69/88/57/336698857.db2.gz PGISBNRWRXNQIN-FOIQADDNSA-N 2 2 323.440 4.174 20 0 DIADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCCc3ccccc32)c[nH+]1 ZINC000360588899 336715498 /nfs/dbraw/zinc/71/54/98/336715498.db2.gz MGRGWDKPXQFJPA-HXUWFJFHSA-N 2 2 317.436 4.430 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)c[nH+]1 ZINC000361481536 336758315 /nfs/dbraw/zinc/75/83/15/336758315.db2.gz OCRGTUALJRJASG-NRFANRHFSA-N 2 2 317.436 4.430 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc(F)c1 ZINC000361496959 336759545 /nfs/dbraw/zinc/75/95/45/336759545.db2.gz ODGDJMVOBGUVNV-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000361663110 336767781 /nfs/dbraw/zinc/76/77/81/336767781.db2.gz SUBHKWVXJOPNSR-RBUKOAKNSA-N 2 2 311.473 4.372 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](CC(C)C)c1ccccc1)CCC2 ZINC000361663344 336767894 /nfs/dbraw/zinc/76/78/94/336767894.db2.gz UATKAQFCUKNZSW-RTBURBONSA-N 2 2 311.473 4.446 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccsc2S1 ZINC000361928251 336778577 /nfs/dbraw/zinc/77/85/77/336778577.db2.gz VUJQWDGJAZIHFK-OCCSQVGLSA-N 2 2 319.499 4.160 20 0 DIADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2ccccc2c1 ZINC000368497839 336846165 /nfs/dbraw/zinc/84/61/65/336846165.db2.gz BVSBNPQDOXVGIK-HNNXBMFYSA-N 2 2 305.425 4.223 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)CCC2 ZINC000371069559 336893897 /nfs/dbraw/zinc/89/38/97/336893897.db2.gz OIACACZBUHATNE-CYBMUJFWSA-N 2 2 324.255 4.166 20 0 DIADLP CCC[C@@H](C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000371507121 336906606 /nfs/dbraw/zinc/90/66/06/336906606.db2.gz YAPXSWCHVHSDBZ-OALUTQOASA-N 2 2 311.473 4.242 20 0 DIADLP CC(C)CC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccoc1 ZINC000375842602 337021080 /nfs/dbraw/zinc/02/10/80/337021080.db2.gz WEVXOCAYAADFFC-RDJZCZTQSA-N 2 2 301.434 4.121 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3ccccc31)CCC2 ZINC000377837367 337062423 /nfs/dbraw/zinc/06/24/23/337062423.db2.gz LXXDHDDNTATSKN-SFHVURJKSA-N 2 2 305.425 4.012 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000173348857 337134806 /nfs/dbraw/zinc/13/48/06/337134806.db2.gz ZZURSKSHBOFEKY-OAHLLOKOSA-N 2 2 323.465 4.445 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000177935578 337159268 /nfs/dbraw/zinc/15/92/68/337159268.db2.gz ZMPMJACCJOPMSK-NRFANRHFSA-N 2 2 317.436 4.017 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1F ZINC000183233623 337192411 /nfs/dbraw/zinc/19/24/11/337192411.db2.gz UJELKLPCBDUVHV-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1cc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)ccc1F ZINC000582944291 337220679 /nfs/dbraw/zinc/22/06/79/337220679.db2.gz OVMVBUKWQCBDNS-UHFFFAOYSA-N 2 2 315.417 4.013 20 0 DIADLP Cc1cc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)ccc1F ZINC000582944291 337220680 /nfs/dbraw/zinc/22/06/80/337220680.db2.gz OVMVBUKWQCBDNS-UHFFFAOYSA-N 2 2 315.417 4.013 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000187138524 337262968 /nfs/dbraw/zinc/26/29/68/337262968.db2.gz VXSLHHLXWFKCTP-LBPRGKRZSA-N 2 2 307.800 4.074 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1csc(Cl)c1 ZINC000191205289 337294892 /nfs/dbraw/zinc/29/48/92/337294892.db2.gz JHGSBPIABYWQSA-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273214 337299208 /nfs/dbraw/zinc/29/92/08/337299208.db2.gz JKZIFBOJRXHFFG-OXQOHEQNSA-N 2 2 319.452 4.093 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273214 337299209 /nfs/dbraw/zinc/29/92/09/337299209.db2.gz JKZIFBOJRXHFFG-OXQOHEQNSA-N 2 2 319.452 4.093 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273215 337299248 /nfs/dbraw/zinc/29/92/48/337299248.db2.gz JKZIFBOJRXHFFG-UZLBHIALSA-N 2 2 319.452 4.093 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000583273215 337299249 /nfs/dbraw/zinc/29/92/49/337299249.db2.gz JKZIFBOJRXHFFG-UZLBHIALSA-N 2 2 319.452 4.093 20 0 DIADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000321938759 337305867 /nfs/dbraw/zinc/30/58/67/337305867.db2.gz MCFUUSDBCOWGSG-MOPGFXCFSA-N 2 2 310.441 4.084 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CC1(OC)CCC1)c1ccccc1 ZINC000429359612 337441570 /nfs/dbraw/zinc/44/15/70/337441570.db2.gz BTFBPSKJASVBRT-PKOBYXMFSA-N 2 2 318.505 4.007 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000237834629 337469650 /nfs/dbraw/zinc/46/96/50/337469650.db2.gz UQRYDWYBSSGTPB-KRWDZBQOSA-N 2 2 323.440 4.347 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000572165828 337594537 /nfs/dbraw/zinc/59/45/37/337594537.db2.gz OZOUJZLVUUHGAF-UHFFFAOYSA-N 2 2 315.269 4.481 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000422869012 337689234 /nfs/dbraw/zinc/68/92/34/337689234.db2.gz WPRJIUPCGMZKTH-HOTGVXAUSA-N 2 2 324.321 4.079 20 0 DIADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875846 337689542 /nfs/dbraw/zinc/68/95/42/337689542.db2.gz PONAPKSNHUROBT-BEVDRBHNSA-N 2 2 324.468 4.407 20 0 DIADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422908057 337690686 /nfs/dbraw/zinc/69/06/86/337690686.db2.gz XVQCZNKSMGMKML-IRXDYDNUSA-N 2 2 310.372 4.115 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cc2cccc(F)c2o1 ZINC000423070410 337698290 /nfs/dbraw/zinc/69/82/90/337698290.db2.gz NGJXMUIYHZCOTH-MZPVMMEZSA-N 2 2 310.372 4.367 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cc(F)cc32)c2ccccc21 ZINC000423146416 337701643 /nfs/dbraw/zinc/70/16/43/337701643.db2.gz PECOVWJDXRUXDE-GBESFXJTSA-N 2 2 314.379 4.077 20 0 DIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000423219805 337705238 /nfs/dbraw/zinc/70/52/38/337705238.db2.gz UOEIVRXWZMNQPN-MGPUTAFESA-N 2 2 313.489 4.110 20 0 DIADLP C[C@H]([NH2+]CCCc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536847873 337744585 /nfs/dbraw/zinc/74/45/85/337744585.db2.gz WYBCVQCIIOUNNN-HNNXBMFYSA-N 2 2 311.454 4.217 20 0 DIADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(Cl)c1 ZINC000424268129 337813666 /nfs/dbraw/zinc/81/36/66/337813666.db2.gz NIARWQWWGHLBCG-AWEZNQCLSA-N 2 2 324.896 4.120 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000424270070 337813739 /nfs/dbraw/zinc/81/37/39/337813739.db2.gz NDLRQQNXEBIQAM-CYBMUJFWSA-N 2 2 322.880 4.016 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C1CCC1)C1CCCCC1)CCC2 ZINC000424316890 337819885 /nfs/dbraw/zinc/81/98/85/337819885.db2.gz QNTDISYFCDMDJF-OALUTQOASA-N 2 2 315.505 4.408 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1nccs1 ZINC000091725738 337894813 /nfs/dbraw/zinc/89/48/13/337894813.db2.gz LZSSVRRKHAZBJX-HUUCEWRRSA-N 2 2 315.486 4.019 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nccs1 ZINC000091725736 337894827 /nfs/dbraw/zinc/89/48/27/337894827.db2.gz LZSSVRRKHAZBJX-CABCVRRESA-N 2 2 315.486 4.019 20 0 DIADLP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000516214775 338007579 /nfs/dbraw/zinc/00/75/79/338007579.db2.gz ZVOHIJZTROSNLA-FXAWDEMLSA-N 2 2 311.473 4.236 20 0 DIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCC2CCCCC2)C1 ZINC000428273340 338045191 /nfs/dbraw/zinc/04/51/91/338045191.db2.gz ZUAXIQIOHJXDJJ-GOSISDBHSA-N 2 2 303.494 4.035 20 0 DIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000428273340 338045192 /nfs/dbraw/zinc/04/51/92/338045192.db2.gz ZUAXIQIOHJXDJJ-GOSISDBHSA-N 2 2 303.494 4.035 20 0 DIADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000430699447 338111677 /nfs/dbraw/zinc/11/16/77/338111677.db2.gz PTSHUJJPBWMYEZ-PWIZWCRZSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000431624827 338134935 /nfs/dbraw/zinc/13/49/35/338134935.db2.gz XLBLPOWUWVJPFS-HOTGVXAUSA-N 2 2 315.486 4.160 20 0 DIADLP C[C@@H](CCSc1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000431624827 338134936 /nfs/dbraw/zinc/13/49/36/338134936.db2.gz XLBLPOWUWVJPFS-HOTGVXAUSA-N 2 2 315.486 4.160 20 0 DIADLP Clc1scc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000432744264 338165648 /nfs/dbraw/zinc/16/56/48/338165648.db2.gz GOBYMGHNQAZPQC-UHFFFAOYSA-N 2 2 316.257 4.158 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751933 338166384 /nfs/dbraw/zinc/16/63/84/338166384.db2.gz GKSJVHISXIICNQ-RYUDHWBXSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751933 338166385 /nfs/dbraw/zinc/16/63/85/338166385.db2.gz GKSJVHISXIICNQ-RYUDHWBXSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751933 338166386 /nfs/dbraw/zinc/16/63/86/338166386.db2.gz GKSJVHISXIICNQ-RYUDHWBXSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@@H]1C ZINC000432751933 338166387 /nfs/dbraw/zinc/16/63/87/338166387.db2.gz GKSJVHISXIICNQ-RYUDHWBXSA-N 2 2 320.424 4.072 20 0 DIADLP Fc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000435787802 338249338 /nfs/dbraw/zinc/24/93/38/338249338.db2.gz AUZNTSHCEHEGIW-QAQDUYKDSA-N 2 2 321.399 4.047 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000436229911 338262557 /nfs/dbraw/zinc/26/25/57/338262557.db2.gz FUSSWTRKSPRXQX-VQTJNVASSA-N 2 2 323.484 4.275 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436253931 338263867 /nfs/dbraw/zinc/26/38/67/338263867.db2.gz RJEURLHYZFNFCW-OALUTQOASA-N 2 2 319.452 4.271 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436253932 338263898 /nfs/dbraw/zinc/26/38/98/338263898.db2.gz RJEURLHYZFNFCW-RBUKOAKNSA-N 2 2 319.452 4.271 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000436469703 338273291 /nfs/dbraw/zinc/27/32/91/338273291.db2.gz DXEJIKGWVPWZQK-LSJNQWAISA-N 2 2 315.505 4.021 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000437006153 338297464 /nfs/dbraw/zinc/29/74/64/338297464.db2.gz HEDMJLOXKJYQEX-QUCCMNQESA-N 2 2 309.457 4.027 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000437702621 338318873 /nfs/dbraw/zinc/31/88/73/338318873.db2.gz SOVFUCFEAVPYTF-HKBOAZHASA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000437702621 338318874 /nfs/dbraw/zinc/31/88/74/338318874.db2.gz SOVFUCFEAVPYTF-HKBOAZHASA-N 2 2 312.501 4.057 20 0 DIADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000438215126 338336831 /nfs/dbraw/zinc/33/68/31/338336831.db2.gz PVQYFFYDYNVLLQ-PZJWPPBQSA-N 2 2 323.484 4.374 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156191092 338344839 /nfs/dbraw/zinc/34/48/39/338344839.db2.gz DWXIGQZEYMVZCM-GMXVVIOVSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156191092 338344840 /nfs/dbraw/zinc/34/48/40/338344840.db2.gz DWXIGQZEYMVZCM-GMXVVIOVSA-N 2 2 301.261 4.127 20 0 DIADLP Cc1ccccc1CCC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058473 338382980 /nfs/dbraw/zinc/38/29/80/338382980.db2.gz YPKHGWLTOYMHLQ-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058473 338382981 /nfs/dbraw/zinc/38/29/81/338382981.db2.gz YPKHGWLTOYMHLQ-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058473 338382982 /nfs/dbraw/zinc/38/29/82/338382982.db2.gz YPKHGWLTOYMHLQ-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000440058473 338382983 /nfs/dbraw/zinc/38/29/83/338382983.db2.gz YPKHGWLTOYMHLQ-SVFBPWRDSA-N 2 2 314.517 4.265 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000442777377 338430368 /nfs/dbraw/zinc/43/03/68/338430368.db2.gz IIWOLFNJOQSOHW-HNNXBMFYSA-N 2 2 323.465 4.445 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3cccc(C4CC4)c3)n2c1 ZINC000449348205 338615847 /nfs/dbraw/zinc/61/58/47/338615847.db2.gz FZUKYBWAJAEBRH-HNNXBMFYSA-N 2 2 305.425 4.371 20 0 DIADLP CC[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1ccncc1 ZINC000453054291 338788103 /nfs/dbraw/zinc/78/81/03/338788103.db2.gz HICQKTXQIYFKRC-DLBZAZTESA-N 2 2 315.486 4.021 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459373368 339025387 /nfs/dbraw/zinc/02/53/87/339025387.db2.gz RZTBAPFVRFALSJ-HLLBOEOZSA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC2CCC(F)(F)CC2)C1 ZINC000459373368 339025388 /nfs/dbraw/zinc/02/53/88/339025388.db2.gz RZTBAPFVRFALSJ-HLLBOEOZSA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373368 339025389 /nfs/dbraw/zinc/02/53/89/339025389.db2.gz RZTBAPFVRFALSJ-HLLBOEOZSA-N 2 2 314.464 4.149 20 0 DIADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459373368 339025390 /nfs/dbraw/zinc/02/53/90/339025390.db2.gz RZTBAPFVRFALSJ-HLLBOEOZSA-N 2 2 314.464 4.149 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000459782464 339048257 /nfs/dbraw/zinc/04/82/57/339048257.db2.gz YZZJIEFYUXLQJO-AYOQOUSVSA-N 2 2 318.892 4.083 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1F ZINC000461090378 339059081 /nfs/dbraw/zinc/05/90/81/339059081.db2.gz NIQZAAJZYLSRGG-KRWDZBQOSA-N 2 2 324.871 4.394 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC[C@H]3c3ccccc3)c[nH+]c12 ZINC000462354717 339076368 /nfs/dbraw/zinc/07/63/68/339076368.db2.gz BBHMCPHALNBJGI-VQTJNVASSA-N 2 2 319.452 4.459 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H](C)CC(C)(C)c3ccccc3)c[nH+]c12 ZINC000462367197 339076849 /nfs/dbraw/zinc/07/68/49/339076849.db2.gz ZCQWIZQREJIFHI-KRWDZBQOSA-N 2 2 321.468 4.489 20 0 DIADLP C[C@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000462660318 339083508 /nfs/dbraw/zinc/08/35/08/339083508.db2.gz RMRSGVSHZIAZNA-YESZJQIVSA-N 2 2 306.519 4.299 20 0 DIADLP CC1(C)CCC([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000462663071 339083638 /nfs/dbraw/zinc/08/36/38/339083638.db2.gz UMWMNFWNUPFOIP-MRXNPFEDSA-N 2 2 306.519 4.443 20 0 DIADLP Cc1cccn2c(C[NH2+]CCc3cccc4ccccc43)c[nH+]c12 ZINC000462678031 339083842 /nfs/dbraw/zinc/08/38/42/339083842.db2.gz QEHSMDLFPBGXJR-UHFFFAOYSA-N 2 2 315.420 4.128 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CS[C@H](C(C)C)C3)cc2)c1C ZINC000463032667 339101916 /nfs/dbraw/zinc/10/19/16/339101916.db2.gz ISJBSIXOKFRGTO-WMZOPIPTSA-N 2 2 315.486 4.431 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCO[C@@H](C(C)C)C3)cc2)c1C ZINC000463035387 339102217 /nfs/dbraw/zinc/10/22/17/339102217.db2.gz HIRMYIVFAFJVCI-IEBWSBKVSA-N 2 2 313.445 4.105 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)CC3CCOCC3)cc2)c1C ZINC000463041811 339102621 /nfs/dbraw/zinc/10/26/21/339102621.db2.gz HOCXFDWXYPAXAH-AWEZNQCLSA-N 2 2 313.445 4.106 20 0 DIADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000463068718 339103839 /nfs/dbraw/zinc/10/38/39/339103839.db2.gz LVQSZVXOFFQLQC-INIZCTEOSA-N 2 2 318.892 4.250 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000463213547 339109881 /nfs/dbraw/zinc/10/98/81/339109881.db2.gz PMRSRJZFXJRBLH-QGZVFWFLSA-N 2 2 321.415 4.245 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000463213547 339109882 /nfs/dbraw/zinc/10/98/82/339109882.db2.gz PMRSRJZFXJRBLH-QGZVFWFLSA-N 2 2 321.415 4.245 20 0 DIADLP Cc1oc2ccccc2c1CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000463705436 339124171 /nfs/dbraw/zinc/12/41/71/339124171.db2.gz GKKWQCAMIUYTIM-UHFFFAOYSA-N 2 2 319.408 4.030 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782495 339153461 /nfs/dbraw/zinc/15/34/61/339153461.db2.gz XGNZQXQPBASWAW-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000464782495 339153462 /nfs/dbraw/zinc/15/34/62/339153462.db2.gz XGNZQXQPBASWAW-UONOGXRCSA-N 2 2 312.860 4.204 20 0 DIADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789118 339153831 /nfs/dbraw/zinc/15/38/31/339153831.db2.gz MOZZHNOBYAOPDL-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789118 339153832 /nfs/dbraw/zinc/15/38/32/339153832.db2.gz MOZZHNOBYAOPDL-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789118 339153833 /nfs/dbraw/zinc/15/38/33/339153833.db2.gz MOZZHNOBYAOPDL-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000464789118 339153834 /nfs/dbraw/zinc/15/38/34/339153834.db2.gz MOZZHNOBYAOPDL-QWHCGFSZSA-N 2 2 315.288 4.328 20 0 DIADLP C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000466358995 339200625 /nfs/dbraw/zinc/20/06/25/339200625.db2.gz HGXIIPDGWMPHBY-QQFBHYJXSA-N 2 2 320.443 4.065 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@@H](C)CC2CC2)[NH+]2CCCCC2)cc1 ZINC000468389465 339261340 /nfs/dbraw/zinc/26/13/40/339261340.db2.gz GYBJVNYEMGCLBE-JXFKEZNVSA-N 2 2 316.489 4.000 20 0 DIADLP CCCCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000468393116 339261468 /nfs/dbraw/zinc/26/14/68/339261468.db2.gz RUPHDEMKOOSRAB-HKUYNNGSSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000468393116 339261469 /nfs/dbraw/zinc/26/14/69/339261469.db2.gz RUPHDEMKOOSRAB-HKUYNNGSSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000468393116 339261470 /nfs/dbraw/zinc/26/14/70/339261470.db2.gz RUPHDEMKOOSRAB-HKUYNNGSSA-N 2 2 318.505 4.170 20 0 DIADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000468393116 339261471 /nfs/dbraw/zinc/26/14/71/339261471.db2.gz RUPHDEMKOOSRAB-HKUYNNGSSA-N 2 2 318.505 4.170 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCC2CCCCC2)CC1 ZINC000468550951 339266001 /nfs/dbraw/zinc/26/60/01/339266001.db2.gz BLLIEEMLIGRCFK-QGZVFWFLSA-N 2 2 324.553 4.214 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000468553510 339266135 /nfs/dbraw/zinc/26/61/35/339266135.db2.gz KPYFAVFGHXARJG-HKUYNNGSSA-N 2 2 324.553 4.070 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCC(C)C)CCC2 ZINC000468557243 339266380 /nfs/dbraw/zinc/26/63/80/339266380.db2.gz XUAVJNJIORTLQD-OKZBNKHCSA-N 2 2 303.494 4.263 20 0 DIADLP Cc1cc[nH+]c(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000469559429 339293348 /nfs/dbraw/zinc/29/33/48/339293348.db2.gz YASKODKQKBRPCO-HNNXBMFYSA-N 2 2 323.362 4.124 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469774307 339298744 /nfs/dbraw/zinc/29/87/44/339298744.db2.gz DXGDTJMOZYOFIB-IAGOWNOFSA-N 2 2 305.425 4.327 20 0 DIADLP C[C@@H]([NH2+]CCCc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469779883 339299366 /nfs/dbraw/zinc/29/93/66/339299366.db2.gz LQERBMCFSXGYJJ-MRXNPFEDSA-N 2 2 323.415 4.295 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021631 339334576 /nfs/dbraw/zinc/33/45/76/339334576.db2.gz YTCAACPXEQGIRB-KBPBESRZSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021631 339334577 /nfs/dbraw/zinc/33/45/77/339334577.db2.gz YTCAACPXEQGIRB-KBPBESRZSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021631 339334578 /nfs/dbraw/zinc/33/45/78/339334578.db2.gz YTCAACPXEQGIRB-KBPBESRZSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021631 339334579 /nfs/dbraw/zinc/33/45/79/339334579.db2.gz YTCAACPXEQGIRB-KBPBESRZSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021632 339334613 /nfs/dbraw/zinc/33/46/13/339334613.db2.gz YTCAACPXEQGIRB-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021632 339334614 /nfs/dbraw/zinc/33/46/14/339334614.db2.gz YTCAACPXEQGIRB-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021632 339334615 /nfs/dbraw/zinc/33/46/15/339334615.db2.gz YTCAACPXEQGIRB-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000471021632 339334616 /nfs/dbraw/zinc/33/46/16/339334616.db2.gz YTCAACPXEQGIRB-KGLIPLIRSA-N 2 2 312.860 4.204 20 0 DIADLP C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471578472 339347929 /nfs/dbraw/zinc/34/79/29/339347929.db2.gz RJFJKKRCKYYKEU-JPXCIIHESA-N 2 2 308.469 4.214 20 0 DIADLP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000471610154 339349316 /nfs/dbraw/zinc/34/93/16/339349316.db2.gz LYWFYQLMGKGGSG-TWOQFEAHSA-N 2 2 312.457 4.037 20 0 DIADLP CSc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472037408 339359943 /nfs/dbraw/zinc/35/99/43/339359943.db2.gz JMKZNFVHYWIHFN-BEFAXECRSA-N 2 2 314.498 4.190 20 0 DIADLP CCSc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000473146207 339382905 /nfs/dbraw/zinc/38/29/05/339382905.db2.gz KVJLRNZBXGNSMC-UHFFFAOYSA-N 2 2 318.530 4.249 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+](C)Cc1ccccc1 ZINC000474026670 339397457 /nfs/dbraw/zinc/39/74/57/339397457.db2.gz ACXIOEHLJGWNSC-HOTGVXAUSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000474026670 339397458 /nfs/dbraw/zinc/39/74/58/339397458.db2.gz ACXIOEHLJGWNSC-HOTGVXAUSA-N 2 2 324.459 4.311 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000474036873 339398252 /nfs/dbraw/zinc/39/82/52/339398252.db2.gz QNEBTOMMCBBLOF-KKUMJFAQSA-N 2 2 302.453 4.053 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000474036873 339398253 /nfs/dbraw/zinc/39/82/53/339398253.db2.gz QNEBTOMMCBBLOF-KKUMJFAQSA-N 2 2 302.453 4.053 20 0 DIADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474062331 339400165 /nfs/dbraw/zinc/40/01/65/339400165.db2.gz FZMIOLGHCWXRLZ-YOEHRIQHSA-N 2 2 310.432 4.093 20 0 DIADLP CC(C)C[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000474156726 339404893 /nfs/dbraw/zinc/40/48/93/339404893.db2.gz GBUACYWGNDHIEE-LJQANCHMSA-N 2 2 311.473 4.350 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000474806666 339427191 /nfs/dbraw/zinc/42/71/91/339427191.db2.gz GNDRWBPDAPQVFD-LEWJYISDSA-N 2 2 308.469 4.324 20 0 DIADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c[nH+]1 ZINC000475356662 339448958 /nfs/dbraw/zinc/44/89/58/339448958.db2.gz MVZVXLWCCILXNI-UYAOXDASSA-N 2 2 312.432 4.388 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCCC2)cc1 ZINC000479297803 339530725 /nfs/dbraw/zinc/53/07/25/339530725.db2.gz XDWFJMGKXDUECM-FPOVZHCZSA-N 2 2 323.484 4.418 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000481960789 339618034 /nfs/dbraw/zinc/61/80/34/339618034.db2.gz MRTOHCDUCQUMAW-KXBFYZLASA-N 2 2 300.421 4.088 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000481965156 339618155 /nfs/dbraw/zinc/61/81/55/339618155.db2.gz UFPAOFDLLUOKBG-DNVCBOLYSA-N 2 2 300.421 4.088 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000483307704 339660898 /nfs/dbraw/zinc/66/08/98/339660898.db2.gz NSKMINLKKWSKOA-QGZVFWFLSA-N 2 2 315.505 4.167 20 0 DIADLP CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CCCCC1 ZINC000483446003 339666216 /nfs/dbraw/zinc/66/62/16/339666216.db2.gz HGVBXTGYCZFIOZ-ZWKOTPCHSA-N 2 2 303.494 4.408 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)c1ccccc1 ZINC000483601597 339669251 /nfs/dbraw/zinc/66/92/51/339669251.db2.gz OTOZKPIYIVYITF-UHFFFAOYSA-N 2 2 305.425 4.206 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000484306558 339684607 /nfs/dbraw/zinc/68/46/07/339684607.db2.gz XDOHZIMAOSYOMF-INIZCTEOSA-N 2 2 313.445 4.022 20 0 DIADLP CCCCC/C(=C/c1ccccc1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494442575 339949230 /nfs/dbraw/zinc/94/92/30/339949230.db2.gz FAJXNTKBHGAZQM-YKRMCXMESA-N 2 2 323.484 4.451 20 0 DIADLP Cc1ccccc1[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000494940806 339966028 /nfs/dbraw/zinc/96/60/28/339966028.db2.gz NFYAQHNJGVOBNM-FXAWDEMLSA-N 2 2 309.457 4.027 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000498958379 340027003 /nfs/dbraw/zinc/02/70/03/340027003.db2.gz UTVQKOPJVLBPOQ-HXUWFJFHSA-N 2 2 311.473 4.069 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000498958379 340027004 /nfs/dbraw/zinc/02/70/04/340027004.db2.gz UTVQKOPJVLBPOQ-HXUWFJFHSA-N 2 2 311.473 4.069 20 0 DIADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000499048866 340028421 /nfs/dbraw/zinc/02/84/21/340028421.db2.gz UHMRZCORMSUSEB-INIZCTEOSA-N 2 2 305.425 4.262 20 0 DIADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000499048866 340028422 /nfs/dbraw/zinc/02/84/22/340028422.db2.gz UHMRZCORMSUSEB-INIZCTEOSA-N 2 2 305.425 4.262 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000499051856 340028533 /nfs/dbraw/zinc/02/85/33/340028533.db2.gz DEEKUCXEFTYRHV-SFHVURJKSA-N 2 2 317.864 4.462 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000499051856 340028534 /nfs/dbraw/zinc/02/85/34/340028534.db2.gz DEEKUCXEFTYRHV-SFHVURJKSA-N 2 2 317.864 4.462 20 0 DIADLP CCCC[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000500251221 340054132 /nfs/dbraw/zinc/05/41/32/340054132.db2.gz BIKBLZMVRVUJGV-UHFFFAOYSA-N 2 2 323.440 4.111 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)n2c1 ZINC000500561376 340062252 /nfs/dbraw/zinc/06/22/52/340062252.db2.gz SDVXYPMEJNFHEJ-IBGZPJMESA-N 2 2 311.404 4.269 20 0 DIADLP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321407 340099747 /nfs/dbraw/zinc/09/97/47/340099747.db2.gz NVANNVCEACZKBP-SMTIMMHKSA-N 2 2 321.468 4.112 20 0 DIADLP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321407 340099748 /nfs/dbraw/zinc/09/97/48/340099748.db2.gz NVANNVCEACZKBP-SMTIMMHKSA-N 2 2 321.468 4.112 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000502508107 340106326 /nfs/dbraw/zinc/10/63/26/340106326.db2.gz JWAPAKCFXIOTAG-HUUCEWRRSA-N 2 2 319.399 4.348 20 0 DIADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000502707338 340111705 /nfs/dbraw/zinc/11/17/05/340111705.db2.gz UVCGKULDUJMCJW-HNNXBMFYSA-N 2 2 320.527 4.296 20 0 DIADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000502707338 340111706 /nfs/dbraw/zinc/11/17/06/340111706.db2.gz UVCGKULDUJMCJW-HNNXBMFYSA-N 2 2 320.527 4.296 20 0 DIADLP C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000503070824 340120213 /nfs/dbraw/zinc/12/02/13/340120213.db2.gz DXYOLUXXMUBUNU-DYESRHJHSA-N 2 2 319.452 4.162 20 0 DIADLP C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000503070824 340120214 /nfs/dbraw/zinc/12/02/14/340120214.db2.gz DXYOLUXXMUBUNU-DYESRHJHSA-N 2 2 319.452 4.162 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000503077570 340120473 /nfs/dbraw/zinc/12/04/73/340120473.db2.gz ZZNDXPLUFDWNDT-LRDDRELGSA-N 2 2 324.255 4.273 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000503077570 340120474 /nfs/dbraw/zinc/12/04/74/340120474.db2.gz ZZNDXPLUFDWNDT-LRDDRELGSA-N 2 2 324.255 4.273 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n2c1CCCC2 ZINC000503367401 340126477 /nfs/dbraw/zinc/12/64/77/340126477.db2.gz LIQZVLLRRLNSQK-LJQANCHMSA-N 2 2 323.484 4.032 20 0 DIADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n2c1CCCC2 ZINC000503367401 340126478 /nfs/dbraw/zinc/12/64/78/340126478.db2.gz LIQZVLLRRLNSQK-LJQANCHMSA-N 2 2 323.484 4.032 20 0 DIADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381016 340126906 /nfs/dbraw/zinc/12/69/06/340126906.db2.gz YVFPMZRLCHLXIM-PKOBYXMFSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503381016 340126907 /nfs/dbraw/zinc/12/69/07/340126907.db2.gz YVFPMZRLCHLXIM-PKOBYXMFSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435537 340128181 /nfs/dbraw/zinc/12/81/81/340128181.db2.gz MTLOIOCGQCUUNS-MSOLQXFVSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435537 340128182 /nfs/dbraw/zinc/12/81/82/340128182.db2.gz MTLOIOCGQCUUNS-MSOLQXFVSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435543 340128188 /nfs/dbraw/zinc/12/81/88/340128188.db2.gz MTLOIOCGQCUUNS-ZWKOTPCHSA-N 2 2 323.484 4.468 20 0 DIADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503435543 340128189 /nfs/dbraw/zinc/12/81/89/340128189.db2.gz MTLOIOCGQCUUNS-ZWKOTPCHSA-N 2 2 323.484 4.468 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000503558400 340130349 /nfs/dbraw/zinc/13/03/49/340130349.db2.gz RSUKLXANUCQUAF-BEFAXECRSA-N 2 2 312.432 4.065 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000503558400 340130350 /nfs/dbraw/zinc/13/03/50/340130350.db2.gz RSUKLXANUCQUAF-BEFAXECRSA-N 2 2 312.432 4.065 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@@H+]1C ZINC000503558401 340130411 /nfs/dbraw/zinc/13/04/11/340130411.db2.gz RSUKLXANUCQUAF-DNVCBOLYSA-N 2 2 312.432 4.065 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC[N@H+]1C ZINC000503558401 340130412 /nfs/dbraw/zinc/13/04/12/340130412.db2.gz RSUKLXANUCQUAF-DNVCBOLYSA-N 2 2 312.432 4.065 20 0 DIADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000504899510 340155320 /nfs/dbraw/zinc/15/53/20/340155320.db2.gz IBLKJADBPPQWAD-YJBOKZPZSA-N 2 2 305.425 4.023 20 0 DIADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000504917416 340156122 /nfs/dbraw/zinc/15/61/22/340156122.db2.gz BOAHRJATMZNYOS-AEFFLSMTSA-N 2 2 309.457 4.420 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000506416481 340194334 /nfs/dbraw/zinc/19/43/34/340194334.db2.gz NSAWNWXDVWXSHX-UHFFFAOYSA-N 2 2 306.881 4.017 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468415 340194964 /nfs/dbraw/zinc/19/49/64/340194964.db2.gz DGOABCDAMXPDCB-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468415 340194965 /nfs/dbraw/zinc/19/49/65/340194965.db2.gz DGOABCDAMXPDCB-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468415 340194966 /nfs/dbraw/zinc/19/49/66/340194966.db2.gz DGOABCDAMXPDCB-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468415 340194967 /nfs/dbraw/zinc/19/49/67/340194967.db2.gz DGOABCDAMXPDCB-FUHWJXTLSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474923 340195172 /nfs/dbraw/zinc/19/51/72/340195172.db2.gz QSUXJSUFTQGDFU-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(Cl)c2)C1 ZINC000506474923 340195173 /nfs/dbraw/zinc/19/51/73/340195173.db2.gz QSUXJSUFTQGDFU-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000506474923 340195174 /nfs/dbraw/zinc/19/51/74/340195174.db2.gz QSUXJSUFTQGDFU-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000506474923 340195175 /nfs/dbraw/zinc/19/51/75/340195175.db2.gz QSUXJSUFTQGDFU-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(C)o1)C1CCC1)CCC2 ZINC000516604335 340218546 /nfs/dbraw/zinc/21/85/46/340218546.db2.gz RTJFIPHQTBPLAX-SJLPKXTDSA-N 2 2 313.445 4.101 20 0 DIADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507489183 340222458 /nfs/dbraw/zinc/22/24/58/340222458.db2.gz WNODKPKPLYAZQR-HZPDHXFCSA-N 2 2 320.443 4.208 20 0 DIADLP CCc1ccc(-c2ccc(C[NH+]3CCC([NH+](C)C)CC3)o2)cc1 ZINC000508029676 340237643 /nfs/dbraw/zinc/23/76/43/340237643.db2.gz UZKPELOFQLZIIS-UHFFFAOYSA-N 2 2 312.457 4.035 20 0 DIADLP Cc1cc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)ccc1F ZINC000510293807 340295347 /nfs/dbraw/zinc/29/53/47/340295347.db2.gz DHFLNRWHWOVTLP-INIZCTEOSA-N 2 2 314.448 4.353 20 0 DIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000303016194 340295576 /nfs/dbraw/zinc/29/55/76/340295576.db2.gz LJGPHSRIYSTXFS-KRWDZBQOSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000303016194 340295577 /nfs/dbraw/zinc/29/55/77/340295577.db2.gz LJGPHSRIYSTXFS-KRWDZBQOSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000303056440 340298870 /nfs/dbraw/zinc/29/88/70/340298870.db2.gz WWALBZFMSVULRZ-GOSISDBHSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000303056440 340298871 /nfs/dbraw/zinc/29/88/71/340298871.db2.gz WWALBZFMSVULRZ-GOSISDBHSA-N 2 2 320.908 4.284 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000510585458 340303402 /nfs/dbraw/zinc/30/34/02/340303402.db2.gz VKUAZGKPQKKIPB-FQEVSTJZSA-N 2 2 316.464 4.153 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303144310 340305332 /nfs/dbraw/zinc/30/53/32/340305332.db2.gz DKPGDCIIRFKMBP-ZWKOTPCHSA-N 2 2 318.480 4.475 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303144310 340305333 /nfs/dbraw/zinc/30/53/33/340305333.db2.gz DKPGDCIIRFKMBP-ZWKOTPCHSA-N 2 2 318.480 4.475 20 0 DIADLP Clc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000510807733 340311644 /nfs/dbraw/zinc/31/16/44/340311644.db2.gz BYAUDKLSCRJYHG-HWOWSKLDSA-N 2 2 318.892 4.193 20 0 DIADLP Clc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000510807733 340311645 /nfs/dbraw/zinc/31/16/45/340311645.db2.gz BYAUDKLSCRJYHG-HWOWSKLDSA-N 2 2 318.892 4.193 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2occc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000511897692 340342353 /nfs/dbraw/zinc/34/23/53/340342353.db2.gz UQUYWQCYGNPRSL-YWZLYKJASA-N 2 2 308.425 4.214 20 0 DIADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Cl)cc2Cl)CC1 ZINC000512400111 340360630 /nfs/dbraw/zinc/36/06/30/340360630.db2.gz OMCGCKINNXZUML-UHFFFAOYSA-N 2 2 313.272 4.054 20 0 DIADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Cl)cc2Cl)CC1 ZINC000512400111 340360631 /nfs/dbraw/zinc/36/06/31/340360631.db2.gz OMCGCKINNXZUML-UHFFFAOYSA-N 2 2 313.272 4.054 20 0 DIADLP CC(C)[C@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccccc1 ZINC000513087477 340392759 /nfs/dbraw/zinc/39/27/59/340392759.db2.gz AQTQBAICFXABTC-IBGZPJMESA-N 2 2 320.440 4.178 20 0 DIADLP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513233364 340398664 /nfs/dbraw/zinc/39/86/64/340398664.db2.gz LGLLFIGRYDZPSP-HUUCEWRRSA-N 2 2 308.897 4.329 20 0 DIADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1ccsc1 ZINC000178066218 340446698 /nfs/dbraw/zinc/44/66/98/340446698.db2.gz ZBJYZJQIWSJXHW-UKRRQHHQSA-N 2 2 306.500 4.297 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cs1 ZINC000186342468 340511509 /nfs/dbraw/zinc/51/15/09/340511509.db2.gz KBTHTRDGNNDGIM-HIFRSBDPSA-N 2 2 311.539 4.284 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1csc(Cl)c1 ZINC000191259006 340551922 /nfs/dbraw/zinc/55/19/22/340551922.db2.gz GETBKYXDBYYOOL-LBPRGKRZSA-N 2 2 309.866 4.339 20 0 DIADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000037149884 340765261 /nfs/dbraw/zinc/76/52/61/340765261.db2.gz YWLZQASRMZYLOT-UHFFFAOYSA-N 2 2 315.288 4.348 20 0 DIADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530218546 340782926 /nfs/dbraw/zinc/78/29/26/340782926.db2.gz WUUIOMJLPOZDLF-SUMWQHHRSA-N 2 2 322.880 4.062 20 0 DIADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000530221263 340783028 /nfs/dbraw/zinc/78/30/28/340783028.db2.gz PGLMZKZDQUHRGM-CVEARBPZSA-N 2 2 324.390 4.031 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc2cc(Cl)ccc2o1 ZINC000530223723 340783071 /nfs/dbraw/zinc/78/30/71/340783071.db2.gz UUKXDGHBIYNHID-MEDUHNTESA-N 2 2 304.821 4.021 20 0 DIADLP Clc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133646 340996540 /nfs/dbraw/zinc/99/65/40/340996540.db2.gz AHJNXARAWTZUOT-UHFFFAOYSA-N 2 2 317.864 4.229 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C(C)C)s1 ZINC000542243652 341001587 /nfs/dbraw/zinc/00/15/87/341001587.db2.gz UTRAWINFGHZMNR-JKSUJKDBSA-N 2 2 323.550 4.257 20 0 DIADLP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466854 341008347 /nfs/dbraw/zinc/00/83/47/341008347.db2.gz LALCFLNDUMDITE-HNAYVOBHSA-N 2 2 323.465 4.312 20 0 DIADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542466854 341008348 /nfs/dbraw/zinc/00/83/48/341008348.db2.gz LALCFLNDUMDITE-HNAYVOBHSA-N 2 2 323.465 4.312 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000542469147 341008649 /nfs/dbraw/zinc/00/86/49/341008649.db2.gz NKPYZDMLHVTMTM-QGZVFWFLSA-N 2 2 323.465 4.141 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000542469147 341008650 /nfs/dbraw/zinc/00/86/50/341008650.db2.gz NKPYZDMLHVTMTM-QGZVFWFLSA-N 2 2 323.465 4.141 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000542469146 341008715 /nfs/dbraw/zinc/00/87/15/341008715.db2.gz NKPYZDMLHVTMTM-KRWDZBQOSA-N 2 2 323.465 4.141 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000542469146 341008716 /nfs/dbraw/zinc/00/87/16/341008716.db2.gz NKPYZDMLHVTMTM-KRWDZBQOSA-N 2 2 323.465 4.141 20 0 DIADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1Cl ZINC000130586555 341029484 /nfs/dbraw/zinc/02/94/84/341029484.db2.gz HGFPYBMOFNQUKH-GFCCVEGCSA-N 2 2 317.795 4.020 20 0 DIADLP CC[C@H](C)[C@H](C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395547 341041911 /nfs/dbraw/zinc/04/19/11/341041911.db2.gz ITAZFWBOXHMHTQ-KBPBESRZSA-N 2 2 303.475 4.333 20 0 DIADLP CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395547 341041912 /nfs/dbraw/zinc/04/19/12/341041912.db2.gz ITAZFWBOXHMHTQ-KBPBESRZSA-N 2 2 303.475 4.333 20 0 DIADLP C[C@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)Cn1cc[nH+]c1 ZINC000072043971 341057625 /nfs/dbraw/zinc/05/76/25/341057625.db2.gz GXEITXHOUVUUEF-QGZVFWFLSA-N 2 2 321.424 4.101 20 0 DIADLP c1cn(-c2csc(C[NH2+]C3(c4ccccc4)CCCC3)c2)c[nH+]1 ZINC000544176059 341072917 /nfs/dbraw/zinc/07/29/17/341072917.db2.gz CPLONZSIZHFQLW-UHFFFAOYSA-N 2 2 323.465 4.493 20 0 DIADLP Cc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)s1 ZINC000546021912 341151767 /nfs/dbraw/zinc/15/17/67/341151767.db2.gz XBTPRMNCZRKKFT-KBXCAEBGSA-N 2 2 302.487 4.146 20 0 DIADLP CCC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000546572239 341173222 /nfs/dbraw/zinc/17/32/22/341173222.db2.gz AZFPTLKROMTMAI-UHFFFAOYSA-N 2 2 301.478 4.001 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000133975596 341203642 /nfs/dbraw/zinc/20/36/42/341203642.db2.gz FSYSAWKSELPZPV-QUCCMNQESA-N 2 2 323.484 4.056 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000133975776 341203713 /nfs/dbraw/zinc/20/37/13/341203713.db2.gz FSYSAWKSELPZPV-ICSRJNTNSA-N 2 2 323.484 4.056 20 0 DIADLP Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000134231002 341210308 /nfs/dbraw/zinc/21/03/08/341210308.db2.gz DEZWJGOPHVXEQX-KBPBESRZSA-N 2 2 312.442 4.049 20 0 DIADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237359137 341212544 /nfs/dbraw/zinc/21/25/44/341212544.db2.gz LLOUYZBGNNFCQB-PXNSSMCTSA-N 2 2 312.457 4.027 20 0 DIADLP C[C@H](CCc1ccco1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237530701 341215313 /nfs/dbraw/zinc/21/53/13/341215313.db2.gz LLOUYZBGNNFCQB-YLJYHZDGSA-N 2 2 312.457 4.027 20 0 DIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000547978043 341241622 /nfs/dbraw/zinc/24/16/22/341241622.db2.gz JGEHPCUFFIHXOV-KRWDZBQOSA-N 2 2 315.486 4.107 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000547978044 341241640 /nfs/dbraw/zinc/24/16/40/341241640.db2.gz JGEHPCUFFIHXOV-QGZVFWFLSA-N 2 2 315.486 4.107 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136081698 341252568 /nfs/dbraw/zinc/25/25/68/341252568.db2.gz FVWTUIFSDWYKGI-BMGDILEWSA-N 2 2 301.409 4.056 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136081698 341252569 /nfs/dbraw/zinc/25/25/69/341252569.db2.gz FVWTUIFSDWYKGI-BMGDILEWSA-N 2 2 301.409 4.056 20 0 DIADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)Cn1cc[nH+]c1 ZINC000548752415 341272146 /nfs/dbraw/zinc/27/21/46/341272146.db2.gz WIAHMMUZKANTBF-ZULIPRJHSA-N 2 2 311.473 4.081 20 0 DIADLP Cc1ccccc1C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000548825675 341277141 /nfs/dbraw/zinc/27/71/41/341277141.db2.gz GNGGEBAMVSDILM-UHFFFAOYSA-N 2 2 317.436 4.345 20 0 DIADLP Cc1ccccc1C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000548825675 341277142 /nfs/dbraw/zinc/27/71/42/341277142.db2.gz GNGGEBAMVSDILM-UHFFFAOYSA-N 2 2 317.436 4.345 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)c1 ZINC000548884410 341279810 /nfs/dbraw/zinc/27/98/10/341279810.db2.gz BGNCYYPJKJQFJQ-NBYUQASBSA-N 2 2 309.457 4.019 20 0 DIADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590734 341303897 /nfs/dbraw/zinc/30/38/97/341303897.db2.gz LDHDPOYMNUGEQP-JDFRZJQESA-N 2 2 312.860 4.106 20 0 DIADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590734 341303898 /nfs/dbraw/zinc/30/38/98/341303898.db2.gz LDHDPOYMNUGEQP-JDFRZJQESA-N 2 2 312.860 4.106 20 0 DIADLP Cc1cccn2c(C[NH2+]CCc3cc4ccccc4s3)c[nH+]c12 ZINC000549876364 341305796 /nfs/dbraw/zinc/30/57/96/341305796.db2.gz IGMADRORWRQEFS-UHFFFAOYSA-N 2 2 321.449 4.190 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 ZINC000550624263 341319850 /nfs/dbraw/zinc/31/98/50/341319850.db2.gz MDWRYVZOWGUZGT-ICSRJNTNSA-N 2 2 320.436 4.358 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 ZINC000550624263 341319851 /nfs/dbraw/zinc/31/98/51/341319851.db2.gz MDWRYVZOWGUZGT-ICSRJNTNSA-N 2 2 320.436 4.358 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c2ccccc21)[N@H+](C)C1CC1 ZINC000551030708 341329607 /nfs/dbraw/zinc/32/96/07/341329607.db2.gz ZSVMKIIPDRELRB-KGLIPLIRSA-N 2 2 300.421 4.112 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c2ccccc21)[N@@H+](C)C1CC1 ZINC000551030708 341329608 /nfs/dbraw/zinc/32/96/08/341329608.db2.gz ZSVMKIIPDRELRB-KGLIPLIRSA-N 2 2 300.421 4.112 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246229344 341335776 /nfs/dbraw/zinc/33/57/76/341335776.db2.gz FVWTUIFSDWYKGI-ZTFGCOKTSA-N 2 2 301.409 4.056 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246229344 341335777 /nfs/dbraw/zinc/33/57/77/341335777.db2.gz FVWTUIFSDWYKGI-ZTFGCOKTSA-N 2 2 301.409 4.056 20 0 DIADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)CCCC2 ZINC000551564328 341345606 /nfs/dbraw/zinc/34/56/06/341345606.db2.gz NKCPZHIUJUEEQQ-MOPGFXCFSA-N 2 2 309.457 4.035 20 0 DIADLP Cc1ccc(CCC[NH2+]Cc2ccc(OC3CCCC3)cc2)c[nH+]1 ZINC000551813823 341352715 /nfs/dbraw/zinc/35/27/15/341352715.db2.gz SUFLNOAAABOXHJ-UHFFFAOYSA-N 2 2 324.468 4.434 20 0 DIADLP COc1ccc([C@@H](C[NH2+]C2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000551953985 341355987 /nfs/dbraw/zinc/35/59/87/341355987.db2.gz MRKHRWNNPFNNHI-OUNSHVDWSA-N 2 2 316.489 4.000 20 0 DIADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000552073601 341367739 /nfs/dbraw/zinc/36/77/39/341367739.db2.gz KLNLVGYVKKOPBK-AWEZNQCLSA-N 2 2 318.848 4.004 20 0 DIADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000552073601 341367740 /nfs/dbraw/zinc/36/77/40/341367740.db2.gz KLNLVGYVKKOPBK-AWEZNQCLSA-N 2 2 318.848 4.004 20 0 DIADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247638336 341368078 /nfs/dbraw/zinc/36/80/78/341368078.db2.gz OHXMYNFDZMSQTO-CPUCHLNUSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247638336 341368079 /nfs/dbraw/zinc/36/80/79/341368079.db2.gz OHXMYNFDZMSQTO-CPUCHLNUSA-N 2 2 303.837 4.181 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247673605 341368750 /nfs/dbraw/zinc/36/87/50/341368750.db2.gz RCMGEKPWOLWMPR-PBFPGSCMSA-N 2 2 321.827 4.320 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247673605 341368751 /nfs/dbraw/zinc/36/87/51/341368751.db2.gz RCMGEKPWOLWMPR-PBFPGSCMSA-N 2 2 321.827 4.320 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248551237 341379833 /nfs/dbraw/zinc/37/98/33/341379833.db2.gz INJANAXEMLKNSI-IOASZLSFSA-N 2 2 321.827 4.320 20 0 DIADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248551237 341379834 /nfs/dbraw/zinc/37/98/34/341379834.db2.gz INJANAXEMLKNSI-IOASZLSFSA-N 2 2 321.827 4.320 20 0 DIADLP CCC1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000553868592 341437522 /nfs/dbraw/zinc/43/75/22/341437522.db2.gz ZLPSNCGQDXEROQ-UHFFFAOYSA-N 2 2 306.881 4.227 20 0 DIADLP FC1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000554372132 341451976 /nfs/dbraw/zinc/45/19/76/341451976.db2.gz IOOUTSIECDRPSX-UHFFFAOYSA-N 2 2 324.871 4.176 20 0 DIADLP CC(C)c1ccc(O[C@@H](C)C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000565618547 341532890 /nfs/dbraw/zinc/53/28/90/341532890.db2.gz DCQMAMILOALKCC-INIZCTEOSA-N 2 2 323.440 4.015 20 0 DIADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(SC2CCCC2)cc1 ZINC000155753462 341612674 /nfs/dbraw/zinc/61/26/74/341612674.db2.gz SRJSZHSCAGGODD-OAHLLOKOSA-N 2 2 315.486 4.269 20 0 DIADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cc(F)cc(F)c1 ZINC000156189736 341617945 /nfs/dbraw/zinc/61/79/45/341617945.db2.gz NLJBGKBZUMHCJF-LBPRGKRZSA-N 2 2 315.367 4.125 20 0 DIADLP C/C(=C/c1ccccc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000569052458 341689427 /nfs/dbraw/zinc/68/94/27/341689427.db2.gz MPFBZYVMTVHIOQ-MNDPQUGUSA-N 2 2 323.484 4.479 20 0 DIADLP CCc1ccc([C@H](C[NH2+]C2CCSCC2)[NH+](CC)CC)cc1 ZINC000573823151 341740395 /nfs/dbraw/zinc/74/03/95/341740395.db2.gz ZBWKWDFCPMKLOX-IBGZPJMESA-N 2 2 320.546 4.117 20 0 DIADLP CC(C)[NH+]1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000576847813 341866228 /nfs/dbraw/zinc/86/62/28/341866228.db2.gz XZEZPXWWJPWUCD-UHFFFAOYSA-N 2 2 303.837 4.173 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3ccc(-c4ccccc4)cc32)n1C ZINC000577530135 341916107 /nfs/dbraw/zinc/91/61/07/341916107.db2.gz CPQUIGRRIVHMCT-OAQYLSRUSA-N 2 2 317.436 4.173 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3ccc(-c4ccccc4)cc32)n1C ZINC000577530134 341916214 /nfs/dbraw/zinc/91/62/14/341916214.db2.gz CPQUIGRRIVHMCT-NRFANRHFSA-N 2 2 317.436 4.173 20 0 DIADLP Cc1cccc([C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C(C)C)c1 ZINC000527845720 518190648 /nfs/dbraw/zinc/19/06/48/518190648.db2.gz CJJBDSKLEKEXJM-IBGZPJMESA-N 2 2 320.440 4.063 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+]Cc3cccs3)ccc2n1C1CC1 ZINC000338440222 522483008 /nfs/dbraw/zinc/48/30/08/522483008.db2.gz OKWLJDYZIKXTJV-UHFFFAOYSA-N 2 2 311.454 4.285 20 0 DIADLP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1OC ZINC000156221227 522590792 /nfs/dbraw/zinc/59/07/92/522590792.db2.gz XBRPMQDSHWPVKX-INIZCTEOSA-N 2 2 323.440 4.245 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130239558 525571570 /nfs/dbraw/zinc/57/15/70/525571570.db2.gz JHIQKOJAHVNKSM-IACUBPJLSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000130239558 525571575 /nfs/dbraw/zinc/57/15/75/525571575.db2.gz JHIQKOJAHVNKSM-IACUBPJLSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1c1ccccc1 ZINC000339447367 525846617 /nfs/dbraw/zinc/84/66/17/525846617.db2.gz HPCFJVDUHMHEOT-RTWAWAEBSA-N 2 2 317.436 4.156 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@](C)(c3ccccc3)C1)CCC2 ZINC000364158956 525938830 /nfs/dbraw/zinc/93/88/30/525938830.db2.gz WMLMXRSNRJPTDQ-FBBABVLZSA-N 2 2 323.484 4.169 20 0 DIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266944747 526179545 /nfs/dbraw/zinc/17/95/45/526179545.db2.gz SGBFDTLXLKSODM-GOEBONIOSA-N 2 2 322.412 4.005 20 0 DIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266944747 526179552 /nfs/dbraw/zinc/17/95/52/526179552.db2.gz SGBFDTLXLKSODM-GOEBONIOSA-N 2 2 322.412 4.005 20 0 DIADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000337986825 526285723 /nfs/dbraw/zinc/28/57/23/526285723.db2.gz JDOHTJOANBDMLU-WBVHZDCISA-N 2 2 319.399 4.019 20 0 DIADLP Fc1ccccc1[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000339379615 526417993 /nfs/dbraw/zinc/41/79/93/526417993.db2.gz NMDRQEOQKPPKJQ-KRWDZBQOSA-N 2 2 321.399 4.001 20 0 DIADLP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000339379615 526417999 /nfs/dbraw/zinc/41/79/99/526417999.db2.gz NMDRQEOQKPPKJQ-KRWDZBQOSA-N 2 2 321.399 4.001 20 0 DIADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCSc4ccccc43)[nH]c2c1 ZINC000156155863 526500207 /nfs/dbraw/zinc/50/02/07/526500207.db2.gz IFQYWZDDBOBPJK-OAHLLOKOSA-N 2 2 323.465 4.322 20 0 DIADLP Cc1sccc1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000339174606 526914570 /nfs/dbraw/zinc/91/45/70/526914570.db2.gz VNRNWSOUMNQFRS-HNNXBMFYSA-N 2 2 306.500 4.045 20 0 DIADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCSC(C)C)CC1 ZINC000338363103 527164290 /nfs/dbraw/zinc/16/42/90/527164290.db2.gz REOAHONPWGIUQV-UHFFFAOYSA-N 2 2 317.502 4.123 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2F)cc1 ZINC000338008275 527382670 /nfs/dbraw/zinc/38/26/70/527382670.db2.gz PMZSYUVAACDXAL-UONOGXRCSA-N 2 2 324.403 4.127 20 0 DIADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000129456426 527678991 /nfs/dbraw/zinc/67/89/91/527678991.db2.gz QQMKCAHHZCHINB-LSDHHAIUSA-N 2 2 323.362 4.083 20 0 DIADLP Clc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1Cl ZINC000179452588 1035877825 /nfs/dbraw/zinc/87/78/25/1035877825.db2.gz KXEOQXQFCQUPHV-OAHLLOKOSA-N 2 2 310.228 4.027 20 0 DIADLP Clc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1Cl ZINC000179452588 1035877844 /nfs/dbraw/zinc/87/78/44/1035877844.db2.gz KXEOQXQFCQUPHV-OAHLLOKOSA-N 2 2 310.228 4.027 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000073617876 1035917347 /nfs/dbraw/zinc/91/73/47/1035917347.db2.gz KEVSIEBGPFKGLJ-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000579871325 1035946007 /nfs/dbraw/zinc/94/60/07/1035946007.db2.gz FPKAXXPSWAFDFC-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP CC[NH+](CC)CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000037211050 1035960334 /nfs/dbraw/zinc/96/03/34/1035960334.db2.gz UNMHAGSLSVAFCS-HNNXBMFYSA-N 2 2 302.384 4.002 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]C(c2cccs2)c2cccs2)CC1 ZINC000037236777 1035977450 /nfs/dbraw/zinc/97/74/50/1035977450.db2.gz JMVZHHBUEAOEQP-UHFFFAOYSA-N 2 2 320.527 4.361 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000322974967 1036096652 /nfs/dbraw/zinc/09/66/52/1036096652.db2.gz ZNEIHFUMWJMAKS-AEFFLSMTSA-N 2 2 310.441 4.051 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000322974967 1036096668 /nfs/dbraw/zinc/09/66/68/1036096668.db2.gz ZNEIHFUMWJMAKS-AEFFLSMTSA-N 2 2 310.441 4.051 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000322974971 1036098910 /nfs/dbraw/zinc/09/89/10/1036098910.db2.gz ZNEIHFUMWJMAKS-FUHWJXTLSA-N 2 2 310.441 4.051 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000322974971 1036098928 /nfs/dbraw/zinc/09/89/28/1036098928.db2.gz ZNEIHFUMWJMAKS-FUHWJXTLSA-N 2 2 310.441 4.051 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000222565637 1036223755 /nfs/dbraw/zinc/22/37/55/1036223755.db2.gz DOLNORSUBHMMEL-LBPRGKRZSA-N 2 2 312.244 4.321 20 0 DIADLP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000120839316 1036264390 /nfs/dbraw/zinc/26/43/90/1036264390.db2.gz CLGJBMKFDFFPGC-SFHVURJKSA-N 2 2 310.432 4.124 20 0 DIADLP Clc1sccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312621654 1036803560 /nfs/dbraw/zinc/80/35/60/1036803560.db2.gz KJODRGWEFQSQEA-OAHLLOKOSA-N 2 2 320.889 4.013 20 0 DIADLP Clc1sccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312621654 1036803575 /nfs/dbraw/zinc/80/35/75/1036803575.db2.gz KJODRGWEFQSQEA-OAHLLOKOSA-N 2 2 320.889 4.013 20 0 DIADLP CC[N@H+](CCc1c[nH+]cn1C)C(c1ccccc1)c1ccccc1 ZINC000656468873 1037523915 /nfs/dbraw/zinc/52/39/15/1037523915.db2.gz OOLAQEQBLUYIPX-UHFFFAOYSA-N 2 2 319.452 4.074 20 0 DIADLP CC[N@@H+](CCc1c[nH+]cn1C)C(c1ccccc1)c1ccccc1 ZINC000656468873 1037523925 /nfs/dbraw/zinc/52/39/25/1037523925.db2.gz OOLAQEQBLUYIPX-UHFFFAOYSA-N 2 2 319.452 4.074 20 0 DIADLP C[C@H]([NH2+]CCCCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000276279104 1037674615 /nfs/dbraw/zinc/67/46/15/1037674615.db2.gz TYSFDCXSMIADQW-ZDUSSCGKSA-N 2 2 311.351 4.256 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Oc2ccccc2)c1 ZINC000341121920 1037682629 /nfs/dbraw/zinc/68/26/29/1037682629.db2.gz JOFMBTJOCOIWFL-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Oc2ccccc2)c1 ZINC000341121920 1037682638 /nfs/dbraw/zinc/68/26/38/1037682638.db2.gz JOFMBTJOCOIWFL-UHFFFAOYSA-N 2 2 321.424 4.198 20 0 DIADLP Clc1cscc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410386 1037956889 /nfs/dbraw/zinc/95/68/89/1037956889.db2.gz TUBVFIGNBJWCIM-HNNXBMFYSA-N 2 2 320.889 4.013 20 0 DIADLP Clc1cscc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000684410386 1037956905 /nfs/dbraw/zinc/95/69/05/1037956905.db2.gz TUBVFIGNBJWCIM-HNNXBMFYSA-N 2 2 320.889 4.013 20 0 DIADLP Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000090418409 1038115232 /nfs/dbraw/zinc/11/52/32/1038115232.db2.gz KSMOOAYNIHRHIG-STQMWFEESA-N 2 2 312.442 4.049 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694818 1038273963 /nfs/dbraw/zinc/27/39/63/1038273963.db2.gz SUUHKUVKAZGMSM-PXNSSMCTSA-N 2 2 321.468 4.086 20 0 DIADLP c1[nH+]c([C@H]2CCC[N@H+]([C@H]3CCc4ccccc43)C2)n2c1CCCC2 ZINC000669694818 1038273968 /nfs/dbraw/zinc/27/39/68/1038273968.db2.gz SUUHKUVKAZGMSM-PXNSSMCTSA-N 2 2 321.468 4.086 20 0 DIADLP Cc1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)oc1C ZINC000669700307 1038288447 /nfs/dbraw/zinc/28/84/47/1038288447.db2.gz PODVFGVDZMJWCA-MAUKXSAKSA-N 2 2 323.440 4.265 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2sccc21 ZINC000061327979 1038313858 /nfs/dbraw/zinc/31/38/58/1038313858.db2.gz SFEOETZDFMPIMI-GDBMZVCRSA-N 2 2 303.475 4.027 20 0 DIADLP CCCOc1ccccc1[C@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000342323550 1038534197 /nfs/dbraw/zinc/53/41/97/1038534197.db2.gz IEFTZHJFYDBDNR-SFHVURJKSA-N 2 2 315.461 4.049 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000152098860 1038568028 /nfs/dbraw/zinc/56/80/28/1038568028.db2.gz BGPVTTBTKZGEFQ-HXUWFJFHSA-N 2 2 305.425 4.172 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000152098782 1038569142 /nfs/dbraw/zinc/56/91/42/1038569142.db2.gz BGPVTTBTKZGEFQ-FQEVSTJZSA-N 2 2 305.425 4.172 20 0 DIADLP CCc1oc2ccccc2c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000072097492 1038590846 /nfs/dbraw/zinc/59/08/46/1038590846.db2.gz FBQUQBQFTSCATB-UHFFFAOYSA-N 2 2 323.440 4.372 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(F)ccc1F ZINC000152222161 1038592372 /nfs/dbraw/zinc/59/23/72/1038592372.db2.gz ZXCSAHCUVPYWSI-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP Cc1ccc([C@H](C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000606471429 1038606685 /nfs/dbraw/zinc/60/66/85/1038606685.db2.gz HZFJTVZYNYQJOX-MRXNPFEDSA-N 2 2 323.415 4.213 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000342445629 1038608559 /nfs/dbraw/zinc/60/85/59/1038608559.db2.gz ITQAAGCNPRRYAY-ZDUSSCGKSA-N 2 2 303.837 4.071 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000342445629 1038608562 /nfs/dbraw/zinc/60/85/62/1038608562.db2.gz ITQAAGCNPRRYAY-ZDUSSCGKSA-N 2 2 303.837 4.071 20 0 DIADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000342571976 1038675100 /nfs/dbraw/zinc/67/51/00/1038675100.db2.gz FTSZYNURNJJTPS-HXUWFJFHSA-N 2 2 305.425 4.182 20 0 DIADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000342571976 1038675104 /nfs/dbraw/zinc/67/51/04/1038675104.db2.gz FTSZYNURNJJTPS-HXUWFJFHSA-N 2 2 305.425 4.182 20 0 DIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)[C@@H]1c1cccs1 ZINC000608060049 1038761183 /nfs/dbraw/zinc/76/11/83/1038761183.db2.gz YMDOJSGFOHJLCB-MLGOLLRUSA-N 2 2 324.877 4.167 20 0 DIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)[C@@H]1c1cccs1 ZINC000608060049 1038761194 /nfs/dbraw/zinc/76/11/94/1038761194.db2.gz YMDOJSGFOHJLCB-MLGOLLRUSA-N 2 2 324.877 4.167 20 0 DIADLP Cc1ccc(C)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608069044 1038764213 /nfs/dbraw/zinc/76/42/13/1038764213.db2.gz USYRSJUGQZDRQF-FQEVSTJZSA-N 2 2 319.452 4.111 20 0 DIADLP CCc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608073614 1038766083 /nfs/dbraw/zinc/76/60/83/1038766083.db2.gz PAPNPRNYBMAEQK-HXUWFJFHSA-N 2 2 319.452 4.056 20 0 DIADLP c1cn(CCCC2CC[NH+](CCCc3ccccc3)CC2)c[nH+]1 ZINC000078061437 1038880091 /nfs/dbraw/zinc/88/00/91/1038880091.db2.gz GBFSGFDQVCJYLD-UHFFFAOYSA-N 2 2 311.473 4.008 20 0 DIADLP C[C@@H]1CC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@@H](C)C1 ZINC000657590192 1038892120 /nfs/dbraw/zinc/89/21/20/1038892120.db2.gz XBAYQCZEHUHHMR-KBPBESRZSA-N 2 2 320.443 4.065 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1c(F)cccc1F ZINC000120941250 1039025678 /nfs/dbraw/zinc/02/56/78/1039025678.db2.gz MZCYWMBYMPMKQP-LBPRGKRZSA-N 2 2 322.374 4.016 20 0 DIADLP c1c[nH+]c(-c2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2)[nH]1 ZINC001213088806 1039361182 /nfs/dbraw/zinc/36/11/82/1039361182.db2.gz FFHLBICOHMZWBU-UHFFFAOYSA-N 2 2 318.424 4.416 20 0 DIADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151156933 1039469105 /nfs/dbraw/zinc/46/91/05/1039469105.db2.gz ZZLQDXFWEUKEJG-QGZVFWFLSA-N 2 2 315.461 4.049 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000278438874 1039471738 /nfs/dbraw/zinc/47/17/38/1039471738.db2.gz KEFNHAKEMFWBBT-XBFCOCLRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000278438874 1039471752 /nfs/dbraw/zinc/47/17/52/1039471752.db2.gz KEFNHAKEMFWBBT-XBFCOCLRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1Cl ZINC000540410991 1039488872 /nfs/dbraw/zinc/48/88/72/1039488872.db2.gz IVAVOKSYKXUVPY-VXGBXAGGSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1Cl ZINC000540410991 1039488879 /nfs/dbraw/zinc/48/88/79/1039488879.db2.gz IVAVOKSYKXUVPY-VXGBXAGGSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1Cl ZINC000540410988 1039489066 /nfs/dbraw/zinc/48/90/66/1039489066.db2.gz IVAVOKSYKXUVPY-NWDGAFQWSA-N 2 2 301.261 4.128 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1Cl ZINC000540410988 1039489072 /nfs/dbraw/zinc/48/90/72/1039489072.db2.gz IVAVOKSYKXUVPY-NWDGAFQWSA-N 2 2 301.261 4.128 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151303919 1039538526 /nfs/dbraw/zinc/53/85/26/1039538526.db2.gz KHWAVCNUOJPPPX-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000540987138 1039605594 /nfs/dbraw/zinc/60/55/94/1039605594.db2.gz UKCIPJGOPHOSMC-IFIJOSMWSA-N 2 2 312.860 4.249 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000540987138 1039605602 /nfs/dbraw/zinc/60/56/02/1039605602.db2.gz UKCIPJGOPHOSMC-IFIJOSMWSA-N 2 2 312.860 4.249 20 0 DIADLP CCc1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000541536173 1039696271 /nfs/dbraw/zinc/69/62/71/1039696271.db2.gz CHJQJNQNKSKBHT-UHFFFAOYSA-N 2 2 311.454 4.128 20 0 DIADLP CCc1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000541536173 1039696280 /nfs/dbraw/zinc/69/62/80/1039696280.db2.gz CHJQJNQNKSKBHT-UHFFFAOYSA-N 2 2 311.454 4.128 20 0 DIADLP C[C@H]([NH2+]Cc1c(F)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599544 1039713763 /nfs/dbraw/zinc/71/37/63/1039713763.db2.gz JMFCEFDEMQIBPM-KBPBESRZSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@H]([NH2+]Cc1c(F)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599544 1039713779 /nfs/dbraw/zinc/71/37/79/1039713779.db2.gz JMFCEFDEMQIBPM-KBPBESRZSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599547 1039713870 /nfs/dbraw/zinc/71/38/70/1039713870.db2.gz JMFCEFDEMQIBPM-KGLIPLIRSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599547 1039713885 /nfs/dbraw/zinc/71/38/85/1039713885.db2.gz JMFCEFDEMQIBPM-KGLIPLIRSA-N 2 2 324.871 4.222 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000088511423 1039768086 /nfs/dbraw/zinc/76/80/86/1039768086.db2.gz FMEIVMHPFIKXHS-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP C[NH+](C)CCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000491420843 1039844510 /nfs/dbraw/zinc/84/45/10/1039844510.db2.gz CXSMNBDJASFCBP-SFHVURJKSA-N 2 2 320.839 4.110 20 0 DIADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1F ZINC000492104243 1039917479 /nfs/dbraw/zinc/91/74/79/1039917479.db2.gz KODDDFNERGRVPC-UHFFFAOYSA-N 2 2 315.417 4.098 20 0 DIADLP Cc1cccc(C([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(C)c2)c1 ZINC000493230759 1040142831 /nfs/dbraw/zinc/14/28/31/1040142831.db2.gz PQHJCNFKCHRJPH-WIYYLYMNSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1cccc(C([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(C)c2)c1 ZINC000493230759 1040142836 /nfs/dbraw/zinc/14/28/36/1040142836.db2.gz PQHJCNFKCHRJPH-WIYYLYMNSA-N 2 2 322.496 4.465 20 0 DIADLP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000685612790 1040158243 /nfs/dbraw/zinc/15/82/43/1040158243.db2.gz BGVHYUQAIOADPB-JXFKEZNVSA-N 2 2 309.457 4.013 20 0 DIADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc2ccccc21 ZINC000685662145 1040203015 /nfs/dbraw/zinc/20/30/15/1040203015.db2.gz KJZCXGIBVXVSQZ-YJBOKZPZSA-N 2 2 305.425 4.161 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)C2 ZINC000685662348 1040203388 /nfs/dbraw/zinc/20/33/88/1040203388.db2.gz WIXZPYFLWDCGNS-QUCCMNQESA-N 2 2 323.484 4.048 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)C2 ZINC000685662346 1040203833 /nfs/dbraw/zinc/20/38/33/1040203833.db2.gz WIXZPYFLWDCGNS-AZUAARDMSA-N 2 2 323.484 4.048 20 0 DIADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000685662317 1040204375 /nfs/dbraw/zinc/20/43/75/1040204375.db2.gz OPINKOJQDKLTPT-FZMZJTMJSA-N 2 2 324.255 4.315 20 0 DIADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977753 1040239570 /nfs/dbraw/zinc/23/95/70/1040239570.db2.gz BMKPDKSUYIKONR-YOEHRIQHSA-N 2 2 324.459 4.166 20 0 DIADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657977753 1040239584 /nfs/dbraw/zinc/23/95/84/1040239584.db2.gz BMKPDKSUYIKONR-YOEHRIQHSA-N 2 2 324.459 4.166 20 0 DIADLP COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000658353168 1040437420 /nfs/dbraw/zinc/43/74/20/1040437420.db2.gz KYZLAOUMASYBCH-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP Clc1ccccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000065982019 1040640571 /nfs/dbraw/zinc/64/05/71/1040640571.db2.gz UUGVGPSLVKSMHC-UHFFFAOYSA-N 2 2 320.908 4.474 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590137 1040725225 /nfs/dbraw/zinc/72/52/25/1040725225.db2.gz MUSNMWADQZDBRX-YNEHKIRRSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590137 1040725243 /nfs/dbraw/zinc/72/52/43/1040725243.db2.gz MUSNMWADQZDBRX-YNEHKIRRSA-N 2 2 313.272 4.271 20 0 DIADLP Clc1cccc([C@H]2CCC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414047463 1040789223 /nfs/dbraw/zinc/78/92/23/1040789223.db2.gz BXNWFPZOXPERIB-WMZOPIPTSA-N 2 2 317.864 4.243 20 0 DIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000414128404 1040901673 /nfs/dbraw/zinc/90/16/73/1040901673.db2.gz UAOYNTLYIVHZBG-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838079 1041174764 /nfs/dbraw/zinc/17/47/64/1041174764.db2.gz GMYMHQBFQUYEAK-IUODEOHRSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838079 1041174774 /nfs/dbraw/zinc/17/47/74/1041174774.db2.gz GMYMHQBFQUYEAK-IUODEOHRSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838079 1041174782 /nfs/dbraw/zinc/17/47/82/1041174782.db2.gz GMYMHQBFQUYEAK-IUODEOHRSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000539838079 1041174793 /nfs/dbraw/zinc/17/47/93/1041174793.db2.gz GMYMHQBFQUYEAK-IUODEOHRSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838081 1041175442 /nfs/dbraw/zinc/17/54/42/1041175442.db2.gz GMYMHQBFQUYEAK-WFASDCNBSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838081 1041175453 /nfs/dbraw/zinc/17/54/53/1041175453.db2.gz GMYMHQBFQUYEAK-WFASDCNBSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838081 1041175466 /nfs/dbraw/zinc/17/54/66/1041175466.db2.gz GMYMHQBFQUYEAK-WFASDCNBSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000539838081 1041175475 /nfs/dbraw/zinc/17/54/75/1041175475.db2.gz GMYMHQBFQUYEAK-WFASDCNBSA-N 2 2 315.288 4.156 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccc2ccccc21 ZINC000810211922 1041349895 /nfs/dbraw/zinc/34/98/95/1041349895.db2.gz XWPHKPIRCIWDNK-MAUKXSAKSA-N 2 2 322.456 4.197 20 0 DIADLP Cc1ccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)[nH+]c1 ZINC001170641139 1041556251 /nfs/dbraw/zinc/55/62/51/1041556251.db2.gz ZZXIRLMCBDJBOH-GHBBCFCZSA-N 2 2 321.468 4.022 20 0 DIADLP CC[C@H](C)C[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812836200 1041655507 /nfs/dbraw/zinc/65/55/07/1041655507.db2.gz SFSVBDGXXMEYMO-IRXDYDNUSA-N 2 2 317.521 4.136 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417340521 1041659346 /nfs/dbraw/zinc/65/93/46/1041659346.db2.gz MTRNDLRNHZXFBE-BHYGNILZSA-N 2 2 323.465 4.216 20 0 DIADLP CC(C)CCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236694329 1041664365 /nfs/dbraw/zinc/66/43/65/1041664365.db2.gz IFFLNGRDKLGBBQ-UHFFFAOYSA-N 2 2 303.494 4.247 20 0 DIADLP c1c2ccccc2oc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675088 1041851060 /nfs/dbraw/zinc/85/10/60/1041851060.db2.gz KCUKCBDERWJPIY-UHFFFAOYSA-N 2 2 320.436 4.187 20 0 DIADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673669 1041851190 /nfs/dbraw/zinc/85/11/90/1041851190.db2.gz BTGMQBANIZEGEV-INIZCTEOSA-N 2 2 312.432 4.141 20 0 DIADLP COc1cccc([C@@H](C)[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660679693 1041851282 /nfs/dbraw/zinc/85/12/82/1041851282.db2.gz SIGIOMSJGCIJDV-QGZVFWFLSA-N 2 2 324.468 4.010 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680848 1041879373 /nfs/dbraw/zinc/87/93/73/1041879373.db2.gz TUYBAOOAVRYUKK-PWIZWCRZSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680848 1041879380 /nfs/dbraw/zinc/87/93/80/1041879380.db2.gz TUYBAOOAVRYUKK-PWIZWCRZSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680849 1041879539 /nfs/dbraw/zinc/87/95/39/1041879539.db2.gz TUYBAOOAVRYUKK-VDGAXYAQSA-N 2 2 321.468 4.026 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-c2ccccc2)cn1 ZINC000651680849 1041879546 /nfs/dbraw/zinc/87/95/46/1041879546.db2.gz TUYBAOOAVRYUKK-VDGAXYAQSA-N 2 2 321.468 4.026 20 0 DIADLP Fc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000651688462 1041883118 /nfs/dbraw/zinc/88/31/18/1041883118.db2.gz LGDDKVQWZYHBNV-MRXNPFEDSA-N 2 2 322.855 4.073 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1F ZINC000317064087 1042187352 /nfs/dbraw/zinc/18/73/52/1042187352.db2.gz VPHUWAQDRKBCIX-DLBZAZTESA-N 2 2 303.425 4.178 20 0 DIADLP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000604418121 1042211574 /nfs/dbraw/zinc/21/15/74/1042211574.db2.gz HPJNELWMONGSIE-ATVHPVEESA-N 2 2 303.409 4.065 20 0 DIADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1F ZINC000585749486 1042242130 /nfs/dbraw/zinc/24/21/30/1042242130.db2.gz HBGALPIRWABUNG-UHFFFAOYSA-N 2 2 323.415 4.424 20 0 DIADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1F ZINC000585749486 1042242134 /nfs/dbraw/zinc/24/21/34/1042242134.db2.gz HBGALPIRWABUNG-UHFFFAOYSA-N 2 2 323.415 4.424 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)s1 ZINC000162840456 1042298849 /nfs/dbraw/zinc/29/88/49/1042298849.db2.gz OJNOXKGFKKAJKP-CQSZACIVSA-N 2 2 303.475 4.303 20 0 DIADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000162907450 1042300607 /nfs/dbraw/zinc/30/06/07/1042300607.db2.gz IYDFXTFKYMANEY-KRWDZBQOSA-N 2 2 301.409 4.154 20 0 DIADLP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000822836412 1042302907 /nfs/dbraw/zinc/30/29/07/1042302907.db2.gz UDQHZOUZCUODEI-GXTWGEPZSA-N 2 2 324.255 4.107 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000021808437 1042325550 /nfs/dbraw/zinc/32/55/50/1042325550.db2.gz DYJGNVUIHLIPAT-CYBMUJFWSA-N 2 2 315.288 4.348 20 0 DIADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000021808437 1042325551 /nfs/dbraw/zinc/32/55/51/1042325551.db2.gz DYJGNVUIHLIPAT-CYBMUJFWSA-N 2 2 315.288 4.348 20 0 DIADLP FC(F)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000279731090 1042336510 /nfs/dbraw/zinc/33/65/10/1042336510.db2.gz NPXQRJVUKJBWRI-KRWDZBQOSA-N 2 2 308.416 4.075 20 0 DIADLP FC(F)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000279731090 1042336516 /nfs/dbraw/zinc/33/65/16/1042336516.db2.gz NPXQRJVUKJBWRI-KRWDZBQOSA-N 2 2 308.416 4.075 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152094870 1042413769 /nfs/dbraw/zinc/41/37/69/1042413769.db2.gz DGUHZRUPPOLJIY-QGZVFWFLSA-N 2 2 319.452 4.345 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000152091086 1042413783 /nfs/dbraw/zinc/41/37/83/1042413783.db2.gz SENQJNPXSLMTAN-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152123791 1042418860 /nfs/dbraw/zinc/41/88/60/1042418860.db2.gz QTCZWTGFSLWZCE-QGZVFWFLSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1C ZINC000152224525 1042434370 /nfs/dbraw/zinc/43/43/70/1042434370.db2.gz DTZNEXGNZSRMFP-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000152244676 1042437351 /nfs/dbraw/zinc/43/73/51/1042437351.db2.gz OREIQCZXJHGXGH-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP C[NH2+]CCC[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000420410802 1042600815 /nfs/dbraw/zinc/60/08/15/1042600815.db2.gz RLCQWJGDHOZFDB-NSHDSACASA-N 2 2 323.893 4.032 20 0 DIADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CC3(C2)CCCCC3)[nH+]1 ZINC000421334541 1042631767 /nfs/dbraw/zinc/63/17/67/1042631767.db2.gz QBECRSONDJMNHF-UHFFFAOYSA-N 2 2 323.484 4.176 20 0 DIADLP C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271993560 1042674891 /nfs/dbraw/zinc/67/48/91/1042674891.db2.gz MGCGKGJMJXKZKA-MRXNPFEDSA-N 2 2 303.409 4.212 20 0 DIADLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1cccnc1 ZINC000423241278 1042701993 /nfs/dbraw/zinc/70/19/93/1042701993.db2.gz LFUTWICKEDUHOW-WOJBJXKFSA-N 2 2 311.473 4.336 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423248714 1042703724 /nfs/dbraw/zinc/70/37/24/1042703724.db2.gz SCLFAMLPIPEBEM-BTYIYWSLSA-N 2 2 324.468 4.191 20 0 DIADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423327656 1042706913 /nfs/dbraw/zinc/70/69/13/1042706913.db2.gz LNWQKBCUMYWSIW-NOZJJQNGSA-N 2 2 307.290 4.095 20 0 DIADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423362244 1042708207 /nfs/dbraw/zinc/70/82/07/1042708207.db2.gz AZTHHKDRKCNPIO-IEBDPFPHSA-N 2 2 319.301 4.020 20 0 DIADLP [NH3+]C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc2ccccc2c1 ZINC000423402635 1042711792 /nfs/dbraw/zinc/71/17/92/1042711792.db2.gz RMZFSNGXHRZXGS-IUPXNIOVSA-N 2 2 318.411 4.253 20 0 DIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163796969 1042915744 /nfs/dbraw/zinc/91/57/44/1042915744.db2.gz BPOWSUGLBLKMQA-CYBMUJFWSA-N 2 2 318.490 4.123 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cc(F)ccc1F ZINC001167974835 1042968682 /nfs/dbraw/zinc/96/86/82/1042968682.db2.gz BEGVVFGGPQCKPS-RJCAOGMDSA-N 2 2 320.427 4.021 20 0 DIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cc(F)ccc1F ZINC001167974835 1042968685 /nfs/dbraw/zinc/96/86/85/1042968685.db2.gz BEGVVFGGPQCKPS-RJCAOGMDSA-N 2 2 320.427 4.021 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353139 1043038032 /nfs/dbraw/zinc/03/80/32/1043038032.db2.gz GKGDEPZVPXXMJK-CRAIPNDOSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353139 1043038035 /nfs/dbraw/zinc/03/80/35/1043038035.db2.gz GKGDEPZVPXXMJK-CRAIPNDOSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441353139 1043038037 /nfs/dbraw/zinc/03/80/37/1043038037.db2.gz GKGDEPZVPXXMJK-CRAIPNDOSA-N 2 2 310.432 4.222 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441353139 1043038040 /nfs/dbraw/zinc/03/80/40/1043038040.db2.gz GKGDEPZVPXXMJK-CRAIPNDOSA-N 2 2 310.432 4.222 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000339073094 1043082183 /nfs/dbraw/zinc/08/21/83/1043082183.db2.gz AAWHZRVZSBLRNN-HXUWFJFHSA-N 2 2 317.436 4.348 20 0 DIADLP COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000177388178 1043106416 /nfs/dbraw/zinc/10/64/16/1043106416.db2.gz CBDIKIAKTOCJRZ-HZPDHXFCSA-N 2 2 321.424 4.293 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000427600154 1043230962 /nfs/dbraw/zinc/23/09/62/1043230962.db2.gz RWLZIDNBZPJBBD-FGTMMUONSA-N 2 2 316.514 4.057 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000427600154 1043230970 /nfs/dbraw/zinc/23/09/70/1043230970.db2.gz RWLZIDNBZPJBBD-FGTMMUONSA-N 2 2 316.514 4.057 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698115 1043324701 /nfs/dbraw/zinc/32/47/01/1043324701.db2.gz DDXSYGNRKNXNOG-JLTOFOAXSA-N 2 2 321.399 4.350 20 0 DIADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000268760103 1043327564 /nfs/dbraw/zinc/32/75/64/1043327564.db2.gz KYQXIUILDOQZJN-GOSISDBHSA-N 2 2 319.452 4.399 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268770476 1043328813 /nfs/dbraw/zinc/32/88/13/1043328813.db2.gz PSEHZBDQVYFGBC-QGZVFWFLSA-N 2 2 319.452 4.345 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268802856 1043332988 /nfs/dbraw/zinc/33/29/88/1043332988.db2.gz IDJHQZNXAXULAJ-GJZGRUSLSA-N 2 2 303.475 4.123 20 0 DIADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269047074 1043354841 /nfs/dbraw/zinc/35/48/41/1043354841.db2.gz VBKJYSPVAGZWLD-ZDUSSCGKSA-N 2 2 322.880 4.016 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)(C)CC ZINC000872052879 1043437874 /nfs/dbraw/zinc/43/78/74/1043437874.db2.gz RHYTYSUJYONFFN-QFBILLFUSA-N 2 2 317.521 4.411 20 0 DIADLP CCC1([NH3+])CC[NH+]([C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000925761556 1043466576 /nfs/dbraw/zinc/46/65/76/1043466576.db2.gz XETSOTGBZFLYAA-CQSZACIVSA-N 2 2 315.486 4.074 20 0 DIADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cc(F)ccc1OC ZINC000925828584 1043480464 /nfs/dbraw/zinc/48/04/64/1043480464.db2.gz XYOQEMPYQHYLNR-OKZBNKHCSA-N 2 2 314.404 4.020 20 0 DIADLP Cc1cc(C)cc(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000718045094 1043555040 /nfs/dbraw/zinc/55/50/40/1043555040.db2.gz RSRJUVJBFGVNOL-JOCHJYFZSA-N 2 2 322.496 4.304 20 0 DIADLP Cc1cc(C)cc(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000718045094 1043555051 /nfs/dbraw/zinc/55/50/51/1043555051.db2.gz RSRJUVJBFGVNOL-JOCHJYFZSA-N 2 2 322.496 4.304 20 0 DIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000353254684 1043594501 /nfs/dbraw/zinc/59/45/01/1043594501.db2.gz XDQQJDTUAQHDDP-CQSZACIVSA-N 2 2 319.399 4.176 20 0 DIADLP CCC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ncccc1Cl ZINC000926565811 1043601170 /nfs/dbraw/zinc/60/11/70/1043601170.db2.gz BVXVJVJYJNYDAL-MRXNPFEDSA-N 2 2 314.820 4.014 20 0 DIADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000353619344 1043624628 /nfs/dbraw/zinc/62/46/28/1043624628.db2.gz HBYCPRRLGDDCDX-LSDHHAIUSA-N 2 2 303.837 4.051 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747997 1043639461 /nfs/dbraw/zinc/63/94/61/1043639461.db2.gz BZSGADMNRAVMHG-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747997 1043639471 /nfs/dbraw/zinc/63/94/71/1043639471.db2.gz BZSGADMNRAVMHG-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747997 1043639477 /nfs/dbraw/zinc/63/94/77/1043639477.db2.gz BZSGADMNRAVMHG-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)C[C@@H]1C ZINC000353747997 1043639483 /nfs/dbraw/zinc/63/94/83/1043639483.db2.gz BZSGADMNRAVMHG-HOCLYGCPSA-N 2 2 321.534 4.105 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](c1ccccc1)C(C)C)CCC2 ZINC000354479125 1043703669 /nfs/dbraw/zinc/70/36/69/1043703669.db2.gz ORBIFPHWPGXYJH-RTBURBONSA-N 2 2 311.473 4.098 20 0 DIADLP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000474470948 1043793181 /nfs/dbraw/zinc/79/31/81/1043793181.db2.gz KRJJUCLDNLTKQN-PMACEKPBSA-N 2 2 311.473 4.236 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CCSCC1)c1ccccc1 ZINC000474481567 1043797371 /nfs/dbraw/zinc/79/73/71/1043797371.db2.gz INHKRZGABNPARA-QFBILLFUSA-N 2 2 320.546 4.191 20 0 DIADLP Cc1[nH]c(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)c(C)[nH+]1 ZINC000930204777 1043892031 /nfs/dbraw/zinc/89/20/31/1043892031.db2.gz OQCUIXJMVCZWIX-MRXNPFEDSA-N 2 2 303.425 4.433 20 0 DIADLP CC(C)Sc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000358032416 1044008523 /nfs/dbraw/zinc/00/85/23/1044008523.db2.gz JCPSYLSMKPOTSM-MRXNPFEDSA-N 2 2 315.486 4.290 20 0 DIADLP CC(C)Sc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000358032416 1044008536 /nfs/dbraw/zinc/00/85/36/1044008536.db2.gz JCPSYLSMKPOTSM-MRXNPFEDSA-N 2 2 315.486 4.290 20 0 DIADLP Cc1csc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001137153315 1044039995 /nfs/dbraw/zinc/03/99/95/1044039995.db2.gz TZROCMHUDBRVRO-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1csc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001137153315 1044040012 /nfs/dbraw/zinc/04/00/12/1044040012.db2.gz TZROCMHUDBRVRO-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981106 1044042106 /nfs/dbraw/zinc/04/21/06/1044042106.db2.gz WKZGLWMCQXQYRW-XLIONFOSSA-N 2 2 316.489 4.168 20 0 DIADLP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000561981106 1044042125 /nfs/dbraw/zinc/04/21/25/1044042125.db2.gz WKZGLWMCQXQYRW-XLIONFOSSA-N 2 2 316.489 4.168 20 0 DIADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000346388947 1044095964 /nfs/dbraw/zinc/09/59/64/1044095964.db2.gz YKIRYDGSIXCLEM-UHFFFAOYSA-N 2 2 312.244 4.101 20 0 DIADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000346388947 1044095979 /nfs/dbraw/zinc/09/59/79/1044095979.db2.gz YKIRYDGSIXCLEM-UHFFFAOYSA-N 2 2 312.244 4.101 20 0 DIADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000291712335 1044097122 /nfs/dbraw/zinc/09/71/22/1044097122.db2.gz LMURSWIJYXJNOC-ZDUSSCGKSA-N 2 2 321.877 4.030 20 0 DIADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000360039219 1044231068 /nfs/dbraw/zinc/23/10/68/1044231068.db2.gz PGISBNRWRXNQIN-QRWLVFNGSA-N 2 2 323.440 4.174 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1sccc1Cl ZINC000883199283 1044232151 /nfs/dbraw/zinc/23/21/51/1044232151.db2.gz AHMNHRCLLIAUHA-AWEZNQCLSA-N 2 2 300.899 4.315 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC(C)(C)c3ccccc31)CCC2 ZINC000360645773 1044293534 /nfs/dbraw/zinc/29/35/34/1044293534.db2.gz FRSDJBUTUCCLJY-LPHOPBHVSA-N 2 2 323.484 4.471 20 0 DIADLP Cc1cccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883386915 1044299190 /nfs/dbraw/zinc/29/91/90/1044299190.db2.gz OPDYEOKTOWHRAK-XLIONFOSSA-N 2 2 305.425 4.284 20 0 DIADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387559 1044299243 /nfs/dbraw/zinc/29/92/43/1044299243.db2.gz ZQHVKWJLBROTFP-PMACEKPBSA-N 2 2 321.399 4.041 20 0 DIADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000883386163 1044301416 /nfs/dbraw/zinc/30/14/16/1044301416.db2.gz ASIKYTDOEXNHQN-WOJBJXKFSA-N 2 2 305.425 4.365 20 0 DIADLP c1cn(C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)c2ccccc2)c[nH+]1 ZINC000883397501 1044304138 /nfs/dbraw/zinc/30/41/38/1044304138.db2.gz OBPBFGRYJBKQMJ-OAQYLSRUSA-N 2 2 317.436 4.292 20 0 DIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000361002500 1044345058 /nfs/dbraw/zinc/34/50/58/1044345058.db2.gz JWHUPKLLOAXPIY-CWRNSKLLSA-N 2 2 309.523 4.003 20 0 DIADLP CC(C)C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000361483117 1044408112 /nfs/dbraw/zinc/40/81/12/1044408112.db2.gz CKNNRLSDTLPMCZ-FQEVSTJZSA-N 2 2 320.440 4.144 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CCC2 ZINC000361664801 1044429172 /nfs/dbraw/zinc/42/91/72/1044429172.db2.gz QCNBCIYZIHOKPD-GXTWGEPZSA-N 2 2 321.827 4.212 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](CC(C)C)c1ccccc1)CCC2 ZINC000361663343 1044429511 /nfs/dbraw/zinc/42/95/11/1044429511.db2.gz UATKAQFCUKNZSW-RBUKOAKNSA-N 2 2 311.473 4.446 20 0 DIADLP Cc1ccsc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691123 1044431631 /nfs/dbraw/zinc/43/16/31/1044431631.db2.gz BFJTVNMYQOKKHD-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1ccsc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691123 1044431643 /nfs/dbraw/zinc/43/16/43/1044431643.db2.gz BFJTVNMYQOKKHD-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000361865098 1044452607 /nfs/dbraw/zinc/45/26/07/1044452607.db2.gz JZKKGXYWWIYVKK-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000361865791 1044454105 /nfs/dbraw/zinc/45/41/05/1044454105.db2.gz PWICWAORZVTDJR-FQEVSTJZSA-N 2 2 305.425 4.422 20 0 DIADLP Cc1csc([C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C2CC2)n1 ZINC000925147570 1044456911 /nfs/dbraw/zinc/45/69/11/1044456911.db2.gz IVCHCGQJVJQHOV-KRWDZBQOSA-N 2 2 321.534 4.003 20 0 DIADLP CCc1oc2ccccc2c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475564202 1044507764 /nfs/dbraw/zinc/50/77/64/1044507764.db2.gz ITSZKEPFHPZYGF-UHFFFAOYSA-N 2 2 312.457 4.102 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000041631384 1044512525 /nfs/dbraw/zinc/51/25/25/1044512525.db2.gz HODBRDIDJSVNGR-CJNGLKHVSA-N 2 2 305.491 4.273 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000295698416 1044553108 /nfs/dbraw/zinc/55/31/08/1044553108.db2.gz MDNYLEGYNRQVGK-YLAKUSLOSA-N 2 2 315.505 4.021 20 0 DIADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000295891872 1044571542 /nfs/dbraw/zinc/57/15/42/1044571542.db2.gz IDUFXVCZOAFNAD-SFHVURJKSA-N 2 2 311.454 4.234 20 0 DIADLP Fc1cccc(F)c1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444627122 1044579922 /nfs/dbraw/zinc/57/99/22/1044579922.db2.gz CISXGXSIVFJBRD-UHFFFAOYSA-N 2 2 322.443 4.020 20 0 DIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000444780443 1044620959 /nfs/dbraw/zinc/62/09/59/1044620959.db2.gz FFCSCYHCZIQDFJ-GOEBONIOSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000444780443 1044620962 /nfs/dbraw/zinc/62/09/62/1044620962.db2.gz FFCSCYHCZIQDFJ-GOEBONIOSA-N 2 2 314.395 4.062 20 0 DIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1F ZINC000296654811 1044639868 /nfs/dbraw/zinc/63/98/68/1044639868.db2.gz ZGBFIQJSPJJGTP-XQERAMJGSA-N 2 2 310.844 4.145 20 0 DIADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1F ZINC000296654811 1044639878 /nfs/dbraw/zinc/63/98/78/1044639878.db2.gz ZGBFIQJSPJJGTP-XQERAMJGSA-N 2 2 310.844 4.145 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)CCC2 ZINC000366207819 1044714046 /nfs/dbraw/zinc/71/40/46/1044714046.db2.gz DGTNUCRVKZCUIQ-RYUDHWBXSA-N 2 2 309.866 4.135 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)CCC2 ZINC000366213855 1044714298 /nfs/dbraw/zinc/71/42/98/1044714298.db2.gz ZKMSRWZIOLDQAK-AABGKKOBSA-N 2 2 323.484 4.070 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445759848 1044810972 /nfs/dbraw/zinc/81/09/72/1044810972.db2.gz OHFHLZIIPIDRCX-ZIAGYGMSSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445759848 1044810994 /nfs/dbraw/zinc/81/09/94/1044810994.db2.gz OHFHLZIIPIDRCX-ZIAGYGMSSA-N 2 2 324.871 4.222 20 0 DIADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000573647321 1044914589 /nfs/dbraw/zinc/91/45/89/1044914589.db2.gz KCUYJPYMADNFNJ-KUHUBIRLSA-N 2 2 323.440 4.390 20 0 DIADLP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524742 1044917561 /nfs/dbraw/zinc/91/75/61/1044917561.db2.gz VOEMRQZVFZJOBR-ACRUOGEOSA-N 2 2 323.484 4.158 20 0 DIADLP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524742 1044917581 /nfs/dbraw/zinc/91/75/81/1044917581.db2.gz VOEMRQZVFZJOBR-ACRUOGEOSA-N 2 2 323.484 4.158 20 0 DIADLP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524742 1044917594 /nfs/dbraw/zinc/91/75/94/1044917594.db2.gz VOEMRQZVFZJOBR-ACRUOGEOSA-N 2 2 323.484 4.158 20 0 DIADLP CC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524742 1044917604 /nfs/dbraw/zinc/91/76/04/1044917604.db2.gz VOEMRQZVFZJOBR-ACRUOGEOSA-N 2 2 323.484 4.158 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000524773161 1044920123 /nfs/dbraw/zinc/92/01/23/1044920123.db2.gz QNNJBZVTAJPIJV-CRAIPNDOSA-N 2 2 312.457 4.081 20 0 DIADLP CCc1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000524773161 1044920133 /nfs/dbraw/zinc/92/01/33/1044920133.db2.gz QNNJBZVTAJPIJV-CRAIPNDOSA-N 2 2 312.457 4.081 20 0 DIADLP C[C@H]1CCC[C@@H](C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845297 1044926641 /nfs/dbraw/zinc/92/66/41/1044926641.db2.gz LZVMIHULPABXRN-DLBZAZTESA-N 2 2 304.478 4.002 20 0 DIADLP C[C@H]1CCC[C@@H](C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000573845297 1044926653 /nfs/dbraw/zinc/92/66/53/1044926653.db2.gz LZVMIHULPABXRN-DLBZAZTESA-N 2 2 304.478 4.002 20 0 DIADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000158411048 1045013504 /nfs/dbraw/zinc/01/35/04/1045013504.db2.gz RTXPUMATIBANCS-GOSISDBHSA-N 2 2 321.424 4.269 20 0 DIADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152237362 1045038959 /nfs/dbraw/zinc/03/89/59/1045038959.db2.gz AGPAESHHGJFRIJ-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152267087 1045039165 /nfs/dbraw/zinc/03/91/65/1045039165.db2.gz GERMQTSKMDHJPP-INIZCTEOSA-N 2 2 321.424 4.122 20 0 DIADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772427 1045077411 /nfs/dbraw/zinc/07/74/11/1045077411.db2.gz URBNDBDPMYQKBW-WOJBJXKFSA-N 2 2 306.453 4.101 20 0 DIADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772427 1045077424 /nfs/dbraw/zinc/07/74/24/1045077424.db2.gz URBNDBDPMYQKBW-WOJBJXKFSA-N 2 2 306.453 4.101 20 0 DIADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCCC2)cc1 ZINC000576793301 1045080758 /nfs/dbraw/zinc/08/07/58/1045080758.db2.gz PFWYGPCZIFELNG-NQIIRXRSSA-N 2 2 323.484 4.487 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@@H+]1C ZINC000525709175 1045112665 /nfs/dbraw/zinc/11/26/65/1045112665.db2.gz ZAUWBFWMOILPMO-KBPBESRZSA-N 2 2 318.848 4.172 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC[N@H+]1C ZINC000525709175 1045112671 /nfs/dbraw/zinc/11/26/71/1045112671.db2.gz ZAUWBFWMOILPMO-KBPBESRZSA-N 2 2 318.848 4.172 20 0 DIADLP CC(C)[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000447539879 1045143700 /nfs/dbraw/zinc/14/37/00/1045143700.db2.gz IAJBWPREZZUGBX-PMACEKPBSA-N 2 2 323.484 4.236 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)o1 ZINC000447562358 1045149603 /nfs/dbraw/zinc/14/96/03/1045149603.db2.gz LHLDFSCAZPAPKT-INIZCTEOSA-N 2 2 323.440 4.035 20 0 DIADLP CCCc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000557539380 1045197039 /nfs/dbraw/zinc/19/70/39/1045197039.db2.gz CMJUCAKEADVIEQ-YLJYHZDGSA-N 2 2 311.473 4.206 20 0 DIADLP C[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000527357565 1045221648 /nfs/dbraw/zinc/22/16/48/1045221648.db2.gz LXIOQOXTNODTHY-ZDUSSCGKSA-N 2 2 303.837 4.046 20 0 DIADLP CC(C)c1cccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000527844490 1045266691 /nfs/dbraw/zinc/26/66/91/1045266691.db2.gz AVBOQOBCPNDLHM-INIZCTEOSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C(C)C)c1 ZINC000527852921 1045268956 /nfs/dbraw/zinc/26/89/56/1045268956.db2.gz SKMHUORLIWAGCD-HXUWFJFHSA-N 2 2 311.473 4.057 20 0 DIADLP CCc1ccc([C@@H](CC(C)C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000527893494 1045274181 /nfs/dbraw/zinc/27/41/81/1045274181.db2.gz RCJXIMYEUOEPGU-RBUKOAKNSA-N 2 2 311.473 4.137 20 0 DIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccccn1 ZINC000449065980 1045338719 /nfs/dbraw/zinc/33/87/19/1045338719.db2.gz XYNWZFOEYUAOCB-INIZCTEOSA-N 2 2 317.521 4.411 20 0 DIADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000449077497 1045345650 /nfs/dbraw/zinc/34/56/50/1045345650.db2.gz JPFXGRUZZHBTTI-BRJVHFRTSA-N 2 2 322.537 4.109 20 0 DIADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000449077497 1045345654 /nfs/dbraw/zinc/34/56/54/1045345654.db2.gz JPFXGRUZZHBTTI-BRJVHFRTSA-N 2 2 322.537 4.109 20 0 DIADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000449077500 1045345786 /nfs/dbraw/zinc/34/57/86/1045345786.db2.gz JPFXGRUZZHBTTI-VWYCLODISA-N 2 2 322.537 4.109 20 0 DIADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000449077500 1045345795 /nfs/dbraw/zinc/34/57/95/1045345795.db2.gz JPFXGRUZZHBTTI-VWYCLODISA-N 2 2 322.537 4.109 20 0 DIADLP C/C(Cl)=C\C[NH+](C)[C@H]1CCC[N@H+](C/C=C(\C)Cl)CC1 ZINC000528424395 1045356020 /nfs/dbraw/zinc/35/60/20/1045356020.db2.gz ZHJUMHUEBDXJIW-WLUWHOLVSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[NH+](C)[C@H]1CCC[N@@H+](C/C=C(\C)Cl)CC1 ZINC000528424395 1045356027 /nfs/dbraw/zinc/35/60/27/1045356027.db2.gz ZHJUMHUEBDXJIW-WLUWHOLVSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[N@@H+](C)[C@H]1CCC[NH+](C/C=C(\C)Cl)CC1 ZINC000528424395 1045356009 /nfs/dbraw/zinc/35/60/09/1045356009.db2.gz ZHJUMHUEBDXJIW-WLUWHOLVSA-N 2 2 305.293 4.058 20 0 DIADLP C/C(Cl)=C\C[N@H+](C)[C@H]1CCC[NH+](C/C=C(\C)Cl)CC1 ZINC000528424395 1045356013 /nfs/dbraw/zinc/35/60/13/1045356013.db2.gz ZHJUMHUEBDXJIW-WLUWHOLVSA-N 2 2 305.293 4.058 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCC13CCCCC3)CCC2 ZINC000449166942 1045357393 /nfs/dbraw/zinc/35/73/93/1045357393.db2.gz HCZWJIGAEBZOPX-SJORKVTESA-N 2 2 301.478 4.162 20 0 DIADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449405604 1045390749 /nfs/dbraw/zinc/39/07/49/1045390749.db2.gz MLSITQVFJOSYTO-LSDHHAIUSA-N 2 2 320.443 4.209 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1Cl ZINC000450252879 1045479618 /nfs/dbraw/zinc/47/96/18/1045479618.db2.gz LAUNHOCFJYLOON-VXGBXAGGSA-N 2 2 319.811 4.066 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1Cl ZINC000450252879 1045479621 /nfs/dbraw/zinc/47/96/21/1045479621.db2.gz LAUNHOCFJYLOON-VXGBXAGGSA-N 2 2 319.811 4.066 20 0 DIADLP CCCCC[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373487400 1045619483 /nfs/dbraw/zinc/61/94/83/1045619483.db2.gz VVJVYAYEANHRNJ-IUDNXUCKSA-N 2 2 320.443 4.350 20 0 DIADLP c1cn(Cc2ccc(-c3cccc(C4CC[NH2+]CC4)c3)cc2)c[nH+]1 ZINC000629742116 1045707719 /nfs/dbraw/zinc/70/77/19/1045707719.db2.gz PFEKNSUPTKZAGA-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000530863913 1045742337 /nfs/dbraw/zinc/74/23/37/1045742337.db2.gz RGJFFMUMLPKHDG-BEFAXECRSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000530863913 1045742347 /nfs/dbraw/zinc/74/23/47/1045742347.db2.gz RGJFFMUMLPKHDG-BEFAXECRSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000530863913 1045742357 /nfs/dbraw/zinc/74/23/57/1045742357.db2.gz RGJFFMUMLPKHDG-BEFAXECRSA-N 2 2 322.443 4.080 20 0 DIADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000530863913 1045742371 /nfs/dbraw/zinc/74/23/71/1045742371.db2.gz RGJFFMUMLPKHDG-BEFAXECRSA-N 2 2 322.443 4.080 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000754048419 1045838167 /nfs/dbraw/zinc/83/81/67/1045838167.db2.gz QLVBSFDYIJYEJF-QFBILLFUSA-N 2 2 306.453 4.068 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000754048419 1045838185 /nfs/dbraw/zinc/83/81/85/1045838185.db2.gz QLVBSFDYIJYEJF-QFBILLFUSA-N 2 2 306.453 4.068 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000754048427 1045838471 /nfs/dbraw/zinc/83/84/71/1045838471.db2.gz QLVBSFDYIJYEJF-VQIMIIECSA-N 2 2 306.453 4.068 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000754048427 1045838497 /nfs/dbraw/zinc/83/84/97/1045838497.db2.gz QLVBSFDYIJYEJF-VQIMIIECSA-N 2 2 306.453 4.068 20 0 DIADLP C[C@H]([NH2+]CCSC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000801938619 1045852355 /nfs/dbraw/zinc/85/23/55/1045852355.db2.gz JIWLFIWDZPENCI-AWEZNQCLSA-N 2 2 303.475 4.055 20 0 DIADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531683581 1045897763 /nfs/dbraw/zinc/89/77/63/1045897763.db2.gz UVGRPCRWBZOLTA-PMACEKPBSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000531700454 1045900304 /nfs/dbraw/zinc/90/03/04/1045900304.db2.gz QEOTXZWAOLLZQI-LBPRGKRZSA-N 2 2 312.244 4.321 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)CCC2 ZINC000531733048 1045908958 /nfs/dbraw/zinc/90/89/58/1045908958.db2.gz AJJVSJHAFVVKTP-UFYCRDLUSA-N 2 2 323.484 4.385 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000802301931 1045946676 /nfs/dbraw/zinc/94/66/76/1045946676.db2.gz TYFJFGPRTZINCC-CZAAIQMYSA-N 2 2 317.436 4.154 20 0 DIADLP Clc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)cc1 ZINC000453245386 1046000930 /nfs/dbraw/zinc/00/09/30/1046000930.db2.gz FUVZJHKYEMNOHW-CRAIPNDOSA-N 2 2 315.848 4.051 20 0 DIADLP CC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1ccncc1 ZINC000453304315 1046025964 /nfs/dbraw/zinc/02/59/64/1046025964.db2.gz PAOMCXTZRYITHD-FQEVSTJZSA-N 2 2 323.484 4.177 20 0 DIADLP CC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1ccncc1 ZINC000453304315 1046025979 /nfs/dbraw/zinc/02/59/79/1046025979.db2.gz PAOMCXTZRYITHD-FQEVSTJZSA-N 2 2 323.484 4.177 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc(Cl)c2F)C2CCCC2)CC1 ZINC001137963663 1046034777 /nfs/dbraw/zinc/03/47/77/1046034777.db2.gz SFLCYKSHICJQQG-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc(Cl)c2F)C2CCCC2)CC1 ZINC001137963663 1046034789 /nfs/dbraw/zinc/03/47/89/1046034789.db2.gz SFLCYKSHICJQQG-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(F)c1F ZINC001137970027 1046038537 /nfs/dbraw/zinc/03/85/37/1046038537.db2.gz RZFDVCFOGAWYRL-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(F)c1F ZINC001137970027 1046038546 /nfs/dbraw/zinc/03/85/46/1046038546.db2.gz RZFDVCFOGAWYRL-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(F)c1F ZINC001137970027 1046038558 /nfs/dbraw/zinc/03/85/58/1046038558.db2.gz RZFDVCFOGAWYRL-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(F)c1F ZINC001137970027 1046038573 /nfs/dbraw/zinc/03/85/73/1046038573.db2.gz RZFDVCFOGAWYRL-DLBZAZTESA-N 2 2 322.443 4.112 20 0 DIADLP C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902913850 1046109509 /nfs/dbraw/zinc/10/95/09/1046109509.db2.gz BDZDBXGWSJZDGY-HNNXBMFYSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532214081 1046116216 /nfs/dbraw/zinc/11/62/16/1046116216.db2.gz SMDAQBNWYFNZEW-HZPDHXFCSA-N 2 2 323.415 4.466 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CC(F)(F)F ZINC000903020228 1046143135 /nfs/dbraw/zinc/14/31/35/1046143135.db2.gz WTIBECZKBUNKCD-STQMWFEESA-N 2 2 311.351 4.111 20 0 DIADLP C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903078653 1046156339 /nfs/dbraw/zinc/15/63/39/1046156339.db2.gz AFFFHSPLJQFOLY-CYBMUJFWSA-N 2 2 307.388 4.204 20 0 DIADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)c2ccccc21 ZINC000635006611 1046171860 /nfs/dbraw/zinc/17/18/60/1046171860.db2.gz ZKBGEOLDEUOXKP-QWHCGFSZSA-N 2 2 312.360 4.001 20 0 DIADLP C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903283335 1046221662 /nfs/dbraw/zinc/22/16/62/1046221662.db2.gz QMZZRDXDKWGNAE-HOCLYGCPSA-N 2 2 315.486 4.197 20 0 DIADLP C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903337010 1046248157 /nfs/dbraw/zinc/24/81/57/1046248157.db2.gz ATFOGDDZCBUYCD-MGPUTAFESA-N 2 2 318.424 4.069 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)c1cccnc1 ZINC000903379113 1046260870 /nfs/dbraw/zinc/26/08/70/1046260870.db2.gz FLOGBKQKWGNYNE-NHCUHLMSSA-N 2 2 323.484 4.205 20 0 DIADLP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccc(C)cc1 ZINC000903384972 1046263590 /nfs/dbraw/zinc/26/35/90/1046263590.db2.gz UHAZUPIWQWNZRC-PMACEKPBSA-N 2 2 311.473 4.124 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)c2ccccc21 ZINC000903384660 1046263727 /nfs/dbraw/zinc/26/37/27/1046263727.db2.gz SMMOFHOQTZSGKH-CZAAIQMYSA-N 2 2 323.484 4.303 20 0 DIADLP CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000903385220 1046263976 /nfs/dbraw/zinc/26/39/76/1046263976.db2.gz WHZXVJDZHJGQAO-PMACEKPBSA-N 2 2 311.473 4.205 20 0 DIADLP C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903428075 1046277427 /nfs/dbraw/zinc/27/74/27/1046277427.db2.gz CSEYUEPZSUHDGS-QRWLVFNGSA-N 2 2 318.424 4.069 20 0 DIADLP C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903430032 1046278787 /nfs/dbraw/zinc/27/87/87/1046278787.db2.gz WYUDKCZOUQJOSB-QRWLVFNGSA-N 2 2 318.424 4.069 20 0 DIADLP CCCCc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)s1 ZINC001138755318 1046288321 /nfs/dbraw/zinc/28/83/21/1046288321.db2.gz TUTHMJNMPZSLFV-UHFFFAOYSA-N 2 2 306.519 4.151 20 0 DIADLP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)CC(F)F ZINC000903922481 1046340637 /nfs/dbraw/zinc/34/06/37/1046340637.db2.gz XWPYTZUDPGFGCZ-NVXWUHKLSA-N 2 2 324.802 4.002 20 0 DIADLP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903948765 1046342846 /nfs/dbraw/zinc/34/28/46/1046342846.db2.gz UHTKFQUXGGBHFA-WLRLJWMZSA-N 2 2 324.443 4.095 20 0 DIADLP CC1CCC([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001168210430 1046421248 /nfs/dbraw/zinc/42/12/48/1046421248.db2.gz OWAZJSCGXNFQKG-UHFFFAOYSA-N 2 2 300.490 4.162 20 0 DIADLP CC1CCC([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001168210430 1046421252 /nfs/dbraw/zinc/42/12/52/1046421252.db2.gz OWAZJSCGXNFQKG-UHFFFAOYSA-N 2 2 300.490 4.162 20 0 DIADLP CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360698 1046436285 /nfs/dbraw/zinc/43/62/85/1046436285.db2.gz DKBMBRGGXCVUDB-UHFFFAOYSA-N 2 2 305.425 4.203 20 0 DIADLP CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360698 1046436292 /nfs/dbraw/zinc/43/62/92/1046436292.db2.gz DKBMBRGGXCVUDB-UHFFFAOYSA-N 2 2 305.425 4.203 20 0 DIADLP c1cn(-c2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)c[nH+]1 ZINC001139356523 1046436311 /nfs/dbraw/zinc/43/63/11/1046436311.db2.gz NWQOEHUSUMTJDT-UHFFFAOYSA-N 2 2 317.436 4.252 20 0 DIADLP Fc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360164 1046436757 /nfs/dbraw/zinc/43/67/57/1046436757.db2.gz JAELHJAEPCYRLP-FQEVSTJZSA-N 2 2 321.399 4.349 20 0 DIADLP C[N@H+](C/C=C/c1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139362720 1046438246 /nfs/dbraw/zinc/43/82/46/1046438246.db2.gz OEVRECLGSKKFSO-VMPITWQZSA-N 2 2 303.409 4.018 20 0 DIADLP C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139362720 1046438250 /nfs/dbraw/zinc/43/82/50/1046438250.db2.gz OEVRECLGSKKFSO-VMPITWQZSA-N 2 2 303.409 4.018 20 0 DIADLP C[C@@H](CC1CCCC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000676871520 1046441274 /nfs/dbraw/zinc/44/12/74/1046441274.db2.gz CPCAXOYGPNULAB-QFBILLFUSA-N 2 2 311.473 4.262 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@@H+]1C ZINC000677655325 1046509267 /nfs/dbraw/zinc/50/92/67/1046509267.db2.gz ZSOGMWMBLLFYBA-WDBKCZKBSA-N 2 2 313.272 4.053 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC[N@H+]1C ZINC000677655325 1046509279 /nfs/dbraw/zinc/50/92/79/1046509279.db2.gz ZSOGMWMBLLFYBA-WDBKCZKBSA-N 2 2 313.272 4.053 20 0 DIADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000677652425 1046509444 /nfs/dbraw/zinc/50/94/44/1046509444.db2.gz WYOYQZOQEYQCQK-HNNXBMFYSA-N 2 2 324.255 4.247 20 0 DIADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000677748911 1046520562 /nfs/dbraw/zinc/52/05/62/1046520562.db2.gz CDGSTLJLMFQDJA-IAGOWNOFSA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000677748911 1046520581 /nfs/dbraw/zinc/52/05/81/1046520581.db2.gz CDGSTLJLMFQDJA-IAGOWNOFSA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677751953 1046522864 /nfs/dbraw/zinc/52/28/64/1046522864.db2.gz BDHSUQQEMZIVBM-KRWDZBQOSA-N 2 2 322.443 4.207 20 0 DIADLP CC1(C)C[C@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000677751953 1046522874 /nfs/dbraw/zinc/52/28/74/1046522874.db2.gz BDHSUQQEMZIVBM-KRWDZBQOSA-N 2 2 322.443 4.207 20 0 DIADLP C[C@@H]([NH2+]CCCNc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132088666 1046526285 /nfs/dbraw/zinc/52/62/85/1046526285.db2.gz JHIJGJSSGFCROV-QGZVFWFLSA-N 2 2 320.440 4.025 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc3ccccc3[nH]2)C2CCCC2)CC1 ZINC001137321168 1046553098 /nfs/dbraw/zinc/55/30/98/1046553098.db2.gz DHNKACWIQWDCBX-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc3ccccc3[nH]2)C2CCCC2)CC1 ZINC001137321168 1046553112 /nfs/dbraw/zinc/55/31/12/1046553112.db2.gz DHNKACWIQWDCBX-UHFFFAOYSA-N 2 2 311.473 4.007 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001140027911 1046572264 /nfs/dbraw/zinc/57/22/64/1046572264.db2.gz GMKALCBDXFJHCJ-IEBWSBKVSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001140027911 1046572275 /nfs/dbraw/zinc/57/22/75/1046572275.db2.gz GMKALCBDXFJHCJ-IEBWSBKVSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001140023623 1046572935 /nfs/dbraw/zinc/57/29/35/1046572935.db2.gz TVDNXSUVKHMSCY-LJQANCHMSA-N 2 2 317.436 4.170 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001140023623 1046572946 /nfs/dbraw/zinc/57/29/46/1046572946.db2.gz TVDNXSUVKHMSCY-LJQANCHMSA-N 2 2 317.436 4.170 20 0 DIADLP CCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000533069266 1046648528 /nfs/dbraw/zinc/64/85/28/1046648528.db2.gz KKFDBXKJUQATAO-HXUWFJFHSA-N 2 2 323.440 4.186 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c(C)n1 ZINC000643508570 1046669981 /nfs/dbraw/zinc/66/99/81/1046669981.db2.gz FJXNIFAROTUPHI-YWZLYKJASA-N 2 2 311.473 4.172 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000236794964 1046671178 /nfs/dbraw/zinc/67/11/78/1046671178.db2.gz WWSWXKMWEXPFGC-UHFFFAOYSA-N 2 2 312.457 4.219 20 0 DIADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000678767396 1046696283 /nfs/dbraw/zinc/69/62/83/1046696283.db2.gz INYOZRVLASEMLR-IIBYNOLFSA-N 2 2 317.436 4.286 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533426211 1046719571 /nfs/dbraw/zinc/71/95/71/1046719571.db2.gz PSLCWDBPNQMASH-VQIMIIECSA-N 2 2 322.443 4.366 20 0 DIADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533426211 1046719587 /nfs/dbraw/zinc/71/95/87/1046719587.db2.gz PSLCWDBPNQMASH-VQIMIIECSA-N 2 2 322.443 4.366 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1[nH+]cccc1N1CCCC1 ZINC001211991760 1046724977 /nfs/dbraw/zinc/72/49/77/1046724977.db2.gz LTDKPZQQXSDEDU-UHFFFAOYSA-N 2 2 324.472 4.267 20 0 DIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000678997492 1046753783 /nfs/dbraw/zinc/75/37/83/1046753783.db2.gz KZXXMWTWUKIHCF-BBRMVZONSA-N 2 2 310.869 4.066 20 0 DIADLP Fc1cccc(CC2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140804787 1046906943 /nfs/dbraw/zinc/90/69/43/1046906943.db2.gz FDZQVUFBKQLUEZ-UHFFFAOYSA-N 2 2 323.415 4.157 20 0 DIADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(Sc2ccccc2)CC1 ZINC001140804701 1046909168 /nfs/dbraw/zinc/90/91/68/1046909168.db2.gz AJRKMCXMGSFUBA-UHFFFAOYSA-N 2 2 323.465 4.320 20 0 DIADLP Fc1ccccc1CC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807345 1046910001 /nfs/dbraw/zinc/91/00/01/1046910001.db2.gz VTQVATDPZSNBFF-UHFFFAOYSA-N 2 2 323.415 4.157 20 0 DIADLP Fc1ccc(CC2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140807375 1046912007 /nfs/dbraw/zinc/91/20/07/1046912007.db2.gz WYRHDTAICCRJKO-UHFFFAOYSA-N 2 2 323.415 4.157 20 0 DIADLP CC(C)C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1 ZINC000647287756 1046967335 /nfs/dbraw/zinc/96/73/35/1046967335.db2.gz ROFGSJWQGCSWDW-GOSISDBHSA-N 2 2 312.461 4.046 20 0 DIADLP Cc1ccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)cc1 ZINC000647351751 1046991243 /nfs/dbraw/zinc/99/12/43/1046991243.db2.gz SILXAKOMLVHJGX-UHFFFAOYSA-N 2 2 321.468 4.028 20 0 DIADLP CC[N@H+](Cc1ccccc1-c1cccs1)C1CC[NH+](C)CC1 ZINC001141095152 1047009765 /nfs/dbraw/zinc/00/97/65/1047009765.db2.gz JUOMMCIDPWUKSC-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP CC[N@@H+](Cc1ccccc1-c1cccs1)C1CC[NH+](C)CC1 ZINC001141095152 1047009779 /nfs/dbraw/zinc/00/97/79/1047009779.db2.gz JUOMMCIDPWUKSC-UHFFFAOYSA-N 2 2 314.498 4.331 20 0 DIADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001141106263 1047015305 /nfs/dbraw/zinc/01/53/05/1047015305.db2.gz VIAKKYPCMAZHBB-UHFFFAOYSA-N 2 2 300.490 4.043 20 0 DIADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001141106263 1047015321 /nfs/dbraw/zinc/01/53/21/1047015321.db2.gz VIAKKYPCMAZHBB-UHFFFAOYSA-N 2 2 300.490 4.043 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116398933 1047135424 /nfs/dbraw/zinc/13/54/24/1047135424.db2.gz KUDPIUJFXTXQMN-GJZGRUSLSA-N 2 2 317.864 4.089 20 0 DIADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116398933 1047135429 /nfs/dbraw/zinc/13/54/29/1047135429.db2.gz KUDPIUJFXTXQMN-GJZGRUSLSA-N 2 2 317.864 4.089 20 0 DIADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000537248876 1047155627 /nfs/dbraw/zinc/15/56/27/1047155627.db2.gz HBIOPGMJNXHMHE-KRWDZBQOSA-N 2 2 305.853 4.256 20 0 DIADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000537248876 1047155632 /nfs/dbraw/zinc/15/56/32/1047155632.db2.gz HBIOPGMJNXHMHE-KRWDZBQOSA-N 2 2 305.853 4.256 20 0 DIADLP CCSc1cc[nH+]c(NC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC001161212625 1047177885 /nfs/dbraw/zinc/17/78/85/1047177885.db2.gz NQRPYNUHQHKSFF-UHFFFAOYSA-N 2 2 307.507 4.116 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)c2ccccc21 ZINC000650741787 1047277160 /nfs/dbraw/zinc/27/71/60/1047277160.db2.gz LOWBQPHHBRWCCP-MSOLQXFVSA-N 2 2 312.844 4.454 20 0 DIADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1Cl ZINC000385952174 1047277648 /nfs/dbraw/zinc/27/76/48/1047277648.db2.gz FMUCJEIEFDBVPB-WBMJQRKESA-N 2 2 323.843 4.441 20 0 DIADLP CCOc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000390321763 1047297821 /nfs/dbraw/zinc/29/78/21/1047297821.db2.gz YBFGBBXFIURLFD-CRAIPNDOSA-N 2 2 315.461 4.047 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000390780636 1047299364 /nfs/dbraw/zinc/29/93/64/1047299364.db2.gz QSKNZTYNANFVMH-PXNSSMCTSA-N 2 2 312.457 4.151 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000390780636 1047299375 /nfs/dbraw/zinc/29/93/75/1047299375.db2.gz QSKNZTYNANFVMH-PXNSSMCTSA-N 2 2 312.457 4.151 20 0 DIADLP CC1([NH+]2CCCC2)CC[NH+](Cc2coc3ccc(F)cc23)CC1 ZINC001141856888 1047299747 /nfs/dbraw/zinc/29/97/47/1047299747.db2.gz WAVKOXUMNAAAAB-UHFFFAOYSA-N 2 2 316.420 4.022 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532760 1047345479 /nfs/dbraw/zinc/34/54/79/1047345479.db2.gz GRKFDIBUFBSHLL-GHMZBOCLSA-N 2 2 319.251 4.125 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000044532760 1047345487 /nfs/dbraw/zinc/34/54/87/1047345487.db2.gz GRKFDIBUFBSHLL-GHMZBOCLSA-N 2 2 319.251 4.125 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccc(C)cc2)cc1 ZINC001142309394 1047430020 /nfs/dbraw/zinc/43/00/20/1047430020.db2.gz DYEZUWMINNZEEP-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccc(C)cc2)cc1 ZINC001142309394 1047430025 /nfs/dbraw/zinc/43/00/25/1047430025.db2.gz DYEZUWMINNZEEP-UHFFFAOYSA-N 2 2 319.452 4.381 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000537615158 1047454264 /nfs/dbraw/zinc/45/42/64/1047454264.db2.gz MHDOMMUIQWEICP-WMZOPIPTSA-N 2 2 312.457 4.170 20 0 DIADLP Cc1ccc(-c2ccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000537615158 1047454269 /nfs/dbraw/zinc/45/42/69/1047454269.db2.gz MHDOMMUIQWEICP-WMZOPIPTSA-N 2 2 312.457 4.170 20 0 DIADLP Cc1ccc(-c2ccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000537615158 1047454273 /nfs/dbraw/zinc/45/42/73/1047454273.db2.gz MHDOMMUIQWEICP-WMZOPIPTSA-N 2 2 312.457 4.170 20 0 DIADLP Cc1ccc(-c2ccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000537615158 1047454280 /nfs/dbraw/zinc/45/42/80/1047454280.db2.gz MHDOMMUIQWEICP-WMZOPIPTSA-N 2 2 312.457 4.170 20 0 DIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119526588 1047458493 /nfs/dbraw/zinc/45/84/93/1047458493.db2.gz VBPQYMDQFXVTST-MJGOQNOKSA-N 2 2 317.521 4.098 20 0 DIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000119526588 1047458500 /nfs/dbraw/zinc/45/85/00/1047458500.db2.gz VBPQYMDQFXVTST-MJGOQNOKSA-N 2 2 317.521 4.098 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168333738 1047477787 /nfs/dbraw/zinc/47/77/87/1047477787.db2.gz CSCAYNNVSGITRM-VJFUWPCTSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168333738 1047477792 /nfs/dbraw/zinc/47/77/92/1047477792.db2.gz CSCAYNNVSGITRM-VJFUWPCTSA-N 2 2 306.881 4.050 20 0 DIADLP Fc1ccc([C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000538100008 1047657166 /nfs/dbraw/zinc/65/71/66/1047657166.db2.gz ALVGTOSZEGXKLZ-HXUWFJFHSA-N 2 2 321.399 4.252 20 0 DIADLP C(=C/[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268244 1047665579 /nfs/dbraw/zinc/66/55/79/1047665579.db2.gz DAWSYRQFXNNLQP-SGWGQVFISA-N 2 2 309.457 4.231 20 0 DIADLP C(=C/[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268244 1047665582 /nfs/dbraw/zinc/66/55/82/1047665582.db2.gz DAWSYRQFXNNLQP-SGWGQVFISA-N 2 2 309.457 4.231 20 0 DIADLP C(=C/[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268245 1047665750 /nfs/dbraw/zinc/66/57/50/1047665750.db2.gz DAWSYRQFXNNLQP-YVNCXZRQSA-N 2 2 309.457 4.231 20 0 DIADLP C(=C/[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000538268245 1047665753 /nfs/dbraw/zinc/66/57/53/1047665753.db2.gz DAWSYRQFXNNLQP-YVNCXZRQSA-N 2 2 309.457 4.231 20 0 DIADLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC000538273639 1047666298 /nfs/dbraw/zinc/66/62/98/1047666298.db2.gz SYUSHOPZIPLITQ-UHFFFAOYSA-N 2 2 315.436 4.247 20 0 DIADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC000538273639 1047666302 /nfs/dbraw/zinc/66/63/02/1047666302.db2.gz SYUSHOPZIPLITQ-UHFFFAOYSA-N 2 2 315.436 4.247 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394628 1047674115 /nfs/dbraw/zinc/67/41/15/1047674115.db2.gz IPZIFDRGXDVJET-TYNCELHUSA-N 2 2 306.837 4.220 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2cc(Cl)ccc2o1 ZINC000538394628 1047674118 /nfs/dbraw/zinc/67/41/18/1047674118.db2.gz IPZIFDRGXDVJET-TYNCELHUSA-N 2 2 306.837 4.220 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000538712525 1047698450 /nfs/dbraw/zinc/69/84/50/1047698450.db2.gz PSAWBKZVMPEDJM-IOMROCGXSA-N 2 2 308.469 4.157 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000538712525 1047698453 /nfs/dbraw/zinc/69/84/53/1047698453.db2.gz PSAWBKZVMPEDJM-IOMROCGXSA-N 2 2 308.469 4.157 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000538720078 1047699960 /nfs/dbraw/zinc/69/99/60/1047699960.db2.gz FEJSJXRGJISVDD-CABCVRRESA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000538720078 1047699962 /nfs/dbraw/zinc/69/99/62/1047699962.db2.gz FEJSJXRGJISVDD-CABCVRRESA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720078 1047699966 /nfs/dbraw/zinc/69/99/66/1047699966.db2.gz FEJSJXRGJISVDD-CABCVRRESA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3F)o2)CC[NH+]1C ZINC000538720078 1047699970 /nfs/dbraw/zinc/69/99/70/1047699970.db2.gz FEJSJXRGJISVDD-CABCVRRESA-N 2 2 316.420 4.000 20 0 DIADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2c(s1)CCCC2 ZINC000538985963 1047723486 /nfs/dbraw/zinc/72/34/86/1047723486.db2.gz OEQIPYQEYTYSFK-CZUORRHYSA-N 2 2 323.550 4.039 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243190 1047744226 /nfs/dbraw/zinc/74/42/26/1047744226.db2.gz JZIGPKZWPIRQAK-WDEREUQCSA-N 2 2 319.251 4.267 20 0 DIADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000539243190 1047744224 /nfs/dbraw/zinc/74/42/24/1047744224.db2.gz JZIGPKZWPIRQAK-WDEREUQCSA-N 2 2 319.251 4.267 20 0 DIADLP Clc1ccc2[nH+]ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)c2c1 ZINC001159153567 1047816284 /nfs/dbraw/zinc/81/62/84/1047816284.db2.gz CLJWCCRTECQKQM-KRWDZBQOSA-N 2 2 323.827 4.478 20 0 DIADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2cccc(C3CCC3)c2)CC1 ZINC001159261304 1047824391 /nfs/dbraw/zinc/82/43/91/1047824391.db2.gz GANCTAFXEWCFMV-UHFFFAOYSA-N 2 2 322.456 4.020 20 0 DIADLP Clc1cc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)cn2cc[nH+]c12 ZINC001159265644 1047824804 /nfs/dbraw/zinc/82/48/04/1047824804.db2.gz CSEVSPDDBCVBNL-MRXNPFEDSA-N 2 2 312.804 4.156 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001182929596 1047870777 /nfs/dbraw/zinc/87/07/77/1047870777.db2.gz CNWNDXGATVTAKI-KBAYOESNSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001182929596 1047870791 /nfs/dbraw/zinc/87/07/91/1047870791.db2.gz CNWNDXGATVTAKI-KBAYOESNSA-N 2 2 306.881 4.050 20 0 DIADLP CC(C)(C[NH3+])c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001159579762 1047871826 /nfs/dbraw/zinc/87/18/26/1047871826.db2.gz HQIFRBLMUMNLMI-UHFFFAOYSA-N 2 2 324.472 4.052 20 0 DIADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001182929594 1047871560 /nfs/dbraw/zinc/87/15/60/1047871560.db2.gz CNWNDXGATVTAKI-BPQIPLTHSA-N 2 2 306.881 4.050 20 0 DIADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001182929594 1047871574 /nfs/dbraw/zinc/87/15/74/1047871574.db2.gz CNWNDXGATVTAKI-BPQIPLTHSA-N 2 2 306.881 4.050 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001183146436 1047894992 /nfs/dbraw/zinc/89/49/92/1047894992.db2.gz VYOBWDOWXAYUIY-FUHIMQAGSA-N 2 2 300.490 4.208 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001183146436 1047895005 /nfs/dbraw/zinc/89/50/05/1047895005.db2.gz VYOBWDOWXAYUIY-FUHIMQAGSA-N 2 2 300.490 4.208 20 0 DIADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000479544942 1047923756 /nfs/dbraw/zinc/92/37/56/1047923756.db2.gz SPFBTKNKQGAVSV-PXNSSMCTSA-N 2 2 309.457 4.013 20 0 DIADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]c1C ZINC001183525863 1047935792 /nfs/dbraw/zinc/93/57/92/1047935792.db2.gz INLKUWYUNFDNDZ-QFBILLFUSA-N 2 2 309.457 4.163 20 0 DIADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c[nH+]c1C ZINC001183525863 1047935804 /nfs/dbraw/zinc/93/58/04/1047935804.db2.gz INLKUWYUNFDNDZ-QFBILLFUSA-N 2 2 309.457 4.163 20 0 DIADLP C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC001198298746 1047941320 /nfs/dbraw/zinc/94/13/20/1047941320.db2.gz BSHYVQGRPGHBDL-MRXNPFEDSA-N 2 2 323.893 4.085 20 0 DIADLP C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC001198298746 1047941331 /nfs/dbraw/zinc/94/13/31/1047941331.db2.gz BSHYVQGRPGHBDL-MRXNPFEDSA-N 2 2 323.893 4.085 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205281176 1047960642 /nfs/dbraw/zinc/96/06/42/1047960642.db2.gz QVAFLXOMNFMVAS-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001205281176 1047960653 /nfs/dbraw/zinc/96/06/53/1047960653.db2.gz QVAFLXOMNFMVAS-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205281274 1047962144 /nfs/dbraw/zinc/96/21/44/1047962144.db2.gz RHYJYXNZQSTSAW-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001205281274 1047962152 /nfs/dbraw/zinc/96/21/52/1047962152.db2.gz RHYJYXNZQSTSAW-CQSZACIVSA-N 2 2 320.786 4.062 20 0 DIADLP Cc1ccc(C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(C)cc2)cc1 ZINC000480080259 1048044982 /nfs/dbraw/zinc/04/49/82/1048044982.db2.gz AHYGCUPNFMSRCA-OAQYLSRUSA-N 2 2 319.452 4.074 20 0 DIADLP Cc1cccn2c([C@H](C)Nc3cc4[nH]ccc4c(C)[nH+]3)c[nH+]c12 ZINC001160686230 1048078124 /nfs/dbraw/zinc/07/81/24/1048078124.db2.gz AVVYRLXFFZYVEI-ZDUSSCGKSA-N 2 2 305.385 4.001 20 0 DIADLP Cc1cc2[nH]ccc2c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)[nH+]1 ZINC001160686629 1048078471 /nfs/dbraw/zinc/07/84/71/1048078471.db2.gz LAIVLIJRTPRGHX-ZDUSSCGKSA-N 2 2 305.385 4.001 20 0 DIADLP C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055855 1048113601 /nfs/dbraw/zinc/11/36/01/1048113601.db2.gz WZYNSKAUXNBIPN-OAJJDEHYSA-N 2 2 309.457 4.359 20 0 DIADLP C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055855 1048113614 /nfs/dbraw/zinc/11/36/14/1048113614.db2.gz WZYNSKAUXNBIPN-OAJJDEHYSA-N 2 2 309.457 4.359 20 0 DIADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(Cl)cn1 ZINC000480324592 1048122897 /nfs/dbraw/zinc/12/28/97/1048122897.db2.gz GHNPBMXVHQKBBA-AWEZNQCLSA-N 2 2 309.885 4.040 20 0 DIADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(Cl)cn1 ZINC000480324592 1048122899 /nfs/dbraw/zinc/12/28/99/1048122899.db2.gz GHNPBMXVHQKBBA-AWEZNQCLSA-N 2 2 309.885 4.040 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000480635541 1048205298 /nfs/dbraw/zinc/20/52/98/1048205298.db2.gz AVGSAAOOIWAQBR-XIRDDKMYSA-N 2 2 304.503 4.076 20 0 DIADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000480635541 1048205306 /nfs/dbraw/zinc/20/53/06/1048205306.db2.gz AVGSAAOOIWAQBR-XIRDDKMYSA-N 2 2 304.503 4.076 20 0 DIADLP CC(C)C1CCC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001201192643 1048212978 /nfs/dbraw/zinc/21/29/78/1048212978.db2.gz UVUAVHWUQHVWIL-UHFFFAOYSA-N 2 2 317.502 4.486 20 0 DIADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000554883526 1048221965 /nfs/dbraw/zinc/22/19/65/1048221965.db2.gz IJYWUZOKYLFWMD-UHFFFAOYSA-N 2 2 311.473 4.192 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(-c2ccccc2)c1 ZINC000480747772 1048236919 /nfs/dbraw/zinc/23/69/19/1048236919.db2.gz UYUFMQADNSCQFH-DLBZAZTESA-N 2 2 305.425 4.289 20 0 DIADLP COC(=O)c1c(C)cc(C)[nH+]c1NCC[PH+](C(C)C)C(C)C ZINC001162357920 1048265637 /nfs/dbraw/zinc/26/56/37/1048265637.db2.gz GASUHWWTWDOSTG-UHFFFAOYSA-N 2 2 324.405 4.196 20 0 DIADLP CC(C)(C)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201435915 1048273583 /nfs/dbraw/zinc/27/35/83/1048273583.db2.gz PGFJYYYTKZESFZ-UHFFFAOYSA-N 2 2 309.413 4.040 20 0 DIADLP Cc1cn2c(cccc2Nc2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC001175361463 1048276845 /nfs/dbraw/zinc/27/68/45/1048276845.db2.gz MZHZGCXAVFECEL-UHFFFAOYSA-N 2 2 320.440 4.372 20 0 DIADLP CCC(CC)(C[NH2+]C[C@@H]1CCC=CO1)[NH2+][C@H](C)c1ccccc1 ZINC000775027857 1048315391 /nfs/dbraw/zinc/31/53/91/1048315391.db2.gz KZIIXUFBKYWLFS-MJGOQNOKSA-N 2 2 316.489 4.178 20 0 DIADLP CSc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505817 1048342236 /nfs/dbraw/zinc/34/22/36/1048342236.db2.gz SOFBYBQAYOKFRW-UHFFFAOYSA-N 2 2 311.454 4.005 20 0 DIADLP CSc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505817 1048342252 /nfs/dbraw/zinc/34/22/52/1048342252.db2.gz SOFBYBQAYOKFRW-UHFFFAOYSA-N 2 2 311.454 4.005 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1 ZINC001162779131 1048357092 /nfs/dbraw/zinc/35/70/92/1048357092.db2.gz UYLKYVQEDBSPOJ-OAHLLOKOSA-N 2 2 322.456 4.200 20 0 DIADLP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001201851080 1048382409 /nfs/dbraw/zinc/38/24/09/1048382409.db2.gz REBJMSQSFZLQGG-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP c1cn(-c2cccc(Nc3cccc(C[NH+]4CCCC4)c3)c2)c[nH+]1 ZINC001176195885 1048592799 /nfs/dbraw/zinc/59/27/99/1048592799.db2.gz QFZHHCOZWGAWKU-UHFFFAOYSA-N 2 2 318.424 4.212 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2ccccc2o1 ZINC000162916614 1048601138 /nfs/dbraw/zinc/60/11/38/1048601138.db2.gz GLUYQFLBHHYHNZ-HNNXBMFYSA-N 2 2 309.413 4.371 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164491451 1048634897 /nfs/dbraw/zinc/63/48/97/1048634897.db2.gz DRYMWNSHEBUFJV-HSALFYBXSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc[nH+]c(C)c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001164491451 1048634898 /nfs/dbraw/zinc/63/48/98/1048634898.db2.gz DRYMWNSHEBUFJV-HSALFYBXSA-N 2 2 321.468 4.021 20 0 DIADLP CCC[NH+](CCC)c1ccc(NCc2c[nH+]c3n2CCC3)cc1 ZINC000850338877 1048634963 /nfs/dbraw/zinc/63/49/63/1048634963.db2.gz LMIUDYQWFYIRSC-UHFFFAOYSA-N 2 2 312.461 4.068 20 0 DIADLP Cc1cc(N2CCC(C3CC[NH+](C)CC3)CC2)[nH+]c2ccccc12 ZINC001165066261 1048657098 /nfs/dbraw/zinc/65/70/98/1048657098.db2.gz ZDURZDYFCNWPEP-UHFFFAOYSA-N 2 2 323.484 4.101 20 0 DIADLP CCCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000775307367 1048659980 /nfs/dbraw/zinc/65/99/80/1048659980.db2.gz IPVDAAOOPPQFOM-UHFFFAOYSA-N 2 2 305.425 4.115 20 0 DIADLP Cc1cccc2c(C)cc(N3CCCC[C@@H]3C3CC[NH2+]CC3)[nH+]c12 ZINC001165318508 1048679374 /nfs/dbraw/zinc/67/93/74/1048679374.db2.gz CHECTQSTGJGCGV-LJQANCHMSA-N 2 2 323.484 4.210 20 0 DIADLP c1ccc(-c2cc[nH+]c(N3CCCC[C@H]3C3CC[NH2+]CC3)c2)cc1 ZINC001165321153 1048680927 /nfs/dbraw/zinc/68/09/27/1048680927.db2.gz XAJDZZKHHZLQKT-FQEVSTJZSA-N 2 2 321.468 4.107 20 0 DIADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000483129660 1048743048 /nfs/dbraw/zinc/74/30/48/1048743048.db2.gz TWVPPIBULIJMIR-LJQANCHMSA-N 2 2 323.827 4.303 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000483139248 1048744976 /nfs/dbraw/zinc/74/49/76/1048744976.db2.gz XJRKBUPOHANQBM-INIZCTEOSA-N 2 2 305.425 4.286 20 0 DIADLP CCCc1cc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)nc(C)[nH+]1 ZINC001166654808 1048777266 /nfs/dbraw/zinc/77/72/66/1048777266.db2.gz NIJXLVDVNPGPEK-QGZVFWFLSA-N 2 2 320.440 4.106 20 0 DIADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001177061529 1048820595 /nfs/dbraw/zinc/82/05/95/1048820595.db2.gz OVVZOTAFWIFHHL-YZGWKJHDSA-N 2 2 300.490 4.239 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000163344568 1048886308 /nfs/dbraw/zinc/88/63/08/1048886308.db2.gz BIVNRMXXUDESAC-STQMWFEESA-N 2 2 305.388 4.009 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC001177308497 1048875074 /nfs/dbraw/zinc/87/50/74/1048875074.db2.gz UXLWPPDOBBOSKK-ZIAGYGMSSA-N 2 2 313.272 4.018 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC001177308497 1048875097 /nfs/dbraw/zinc/87/50/97/1048875097.db2.gz UXLWPPDOBBOSKK-ZIAGYGMSSA-N 2 2 313.272 4.018 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC001177308496 1048875360 /nfs/dbraw/zinc/87/53/60/1048875360.db2.gz UXLWPPDOBBOSKK-UONOGXRCSA-N 2 2 313.272 4.018 20 0 DIADLP Cc1c(Cl)ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC001177308496 1048875376 /nfs/dbraw/zinc/87/53/76/1048875376.db2.gz UXLWPPDOBBOSKK-UONOGXRCSA-N 2 2 313.272 4.018 20 0 DIADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001203510868 1048915050 /nfs/dbraw/zinc/91/50/50/1048915050.db2.gz CFOKYKNVWRMIIQ-INIZCTEOSA-N 2 2 324.896 4.090 20 0 DIADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001203510868 1048915063 /nfs/dbraw/zinc/91/50/63/1048915063.db2.gz CFOKYKNVWRMIIQ-INIZCTEOSA-N 2 2 324.896 4.090 20 0 DIADLP COc1ccc2c(Nc3cccn4c(C)c(C)[nH+]c34)cc[nH+]c2c1 ZINC001203524791 1048918414 /nfs/dbraw/zinc/91/84/14/1048918414.db2.gz AQAFFBFHSPRBGO-UHFFFAOYSA-N 2 2 318.380 4.252 20 0 DIADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)C(C)(C)C ZINC001177821875 1048942296 /nfs/dbraw/zinc/94/22/96/1048942296.db2.gz FGRVXBXVGYQTNG-CQSZACIVSA-N 2 2 317.304 4.449 20 0 DIADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177950106 1048968046 /nfs/dbraw/zinc/96/80/46/1048968046.db2.gz UXLIYUOXUPXKJW-CJNGLKHVSA-N 2 2 303.475 4.238 20 0 DIADLP CC(C)[N@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001203812365 1049007127 /nfs/dbraw/zinc/00/71/27/1049007127.db2.gz YDVCOMNVIPEHSS-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC(C)[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001203812365 1049007139 /nfs/dbraw/zinc/00/71/39/1049007139.db2.gz YDVCOMNVIPEHSS-UHFFFAOYSA-N 2 2 315.288 4.298 20 0 DIADLP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001203886873 1049024091 /nfs/dbraw/zinc/02/40/91/1049024091.db2.gz FJYIHRRGRYYWOM-UHFFFAOYSA-N 2 2 314.395 4.010 20 0 DIADLP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001203886873 1049024103 /nfs/dbraw/zinc/02/41/03/1049024103.db2.gz FJYIHRRGRYYWOM-UHFFFAOYSA-N 2 2 314.395 4.010 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001203943478 1049036706 /nfs/dbraw/zinc/03/67/06/1049036706.db2.gz DEXYLGHOYKVETP-UHFFFAOYSA-N 2 2 310.441 4.005 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC001203987666 1049051653 /nfs/dbraw/zinc/05/16/53/1049051653.db2.gz AMZWSKSOIDPDJX-IBGZPJMESA-N 2 2 318.420 4.197 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001203987666 1049051668 /nfs/dbraw/zinc/05/16/68/1049051668.db2.gz AMZWSKSOIDPDJX-IBGZPJMESA-N 2 2 318.420 4.197 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@@H+]1C ZINC000484923386 1049083876 /nfs/dbraw/zinc/08/38/76/1049083876.db2.gz TVNUNNVKSAZHFS-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2Oc2ccccc2)CC[N@H+]1C ZINC000484923386 1049083886 /nfs/dbraw/zinc/08/38/86/1049083886.db2.gz TVNUNNVKSAZHFS-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923386 1049083902 /nfs/dbraw/zinc/08/39/02/1049083902.db2.gz TVNUNNVKSAZHFS-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Oc2ccccc2)CC[NH+]1C ZINC000484923386 1049083916 /nfs/dbraw/zinc/08/39/16/1049083916.db2.gz TVNUNNVKSAZHFS-MJGOQNOKSA-N 2 2 324.468 4.393 20 0 DIADLP c1cn2ccc(Nc3cccc(C[NH+]4CCCCC4)c3)cc2[nH+]1 ZINC001204109656 1049087093 /nfs/dbraw/zinc/08/70/93/1049087093.db2.gz UQYFCICVZYIEJG-UHFFFAOYSA-N 2 2 306.413 4.064 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC000078542624 1049108980 /nfs/dbraw/zinc/10/89/80/1049108980.db2.gz YAJGAJOITKCURE-AWEZNQCLSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC001179044789 1049122255 /nfs/dbraw/zinc/12/22/55/1049122255.db2.gz QDIGCXBEQPMQEQ-MDCAWNJWSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C ZINC001179044789 1049122262 /nfs/dbraw/zinc/12/22/62/1049122262.db2.gz QDIGCXBEQPMQEQ-MDCAWNJWSA-N 2 2 312.501 4.232 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001179044620 1049122603 /nfs/dbraw/zinc/12/26/03/1049122603.db2.gz LOUSVQSPUMUEII-BTRQGYIVSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001179044620 1049122606 /nfs/dbraw/zinc/12/26/06/1049122606.db2.gz LOUSVQSPUMUEII-BTRQGYIVSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001179044621 1049122715 /nfs/dbraw/zinc/12/27/15/1049122715.db2.gz LOUSVQSPUMUEII-CSODTCANSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001179044621 1049122719 /nfs/dbraw/zinc/12/27/19/1049122719.db2.gz LOUSVQSPUMUEII-CSODTCANSA-N 2 2 306.538 4.445 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)c(Cl)c2)C2CCCC2)CC1 ZINC001204286244 1049128607 /nfs/dbraw/zinc/12/86/07/1049128607.db2.gz BDPDMZPKDIHKKA-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)c(Cl)c2)C2CCCC2)CC1 ZINC001204286244 1049128610 /nfs/dbraw/zinc/12/86/10/1049128610.db2.gz BDPDMZPKDIHKKA-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP CCCCCOc1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)cc1 ZINC001204312759 1049137768 /nfs/dbraw/zinc/13/77/68/1049137768.db2.gz VCDRCPRNILWVGU-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP CCCCCOc1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)cc1 ZINC001204312759 1049137775 /nfs/dbraw/zinc/13/77/75/1049137775.db2.gz VCDRCPRNILWVGU-UHFFFAOYSA-N 2 2 318.505 4.172 20 0 DIADLP Cc1c(Cl)ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1Cl ZINC001204431300 1049162332 /nfs/dbraw/zinc/16/23/32/1049162332.db2.gz OHBATKGZTGBRNF-CYBMUJFWSA-N 2 2 315.288 4.075 20 0 DIADLP Cc1c(Cl)ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1Cl ZINC001204431300 1049162336 /nfs/dbraw/zinc/16/23/36/1049162336.db2.gz OHBATKGZTGBRNF-CYBMUJFWSA-N 2 2 315.288 4.075 20 0 DIADLP Cc1c(Cl)ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC001204431300 1049162343 /nfs/dbraw/zinc/16/23/43/1049162343.db2.gz OHBATKGZTGBRNF-CYBMUJFWSA-N 2 2 315.288 4.075 20 0 DIADLP Cc1c(Cl)ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC001204431300 1049162348 /nfs/dbraw/zinc/16/23/48/1049162348.db2.gz OHBATKGZTGBRNF-CYBMUJFWSA-N 2 2 315.288 4.075 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(Cl)s2)C2CCCC2)CC1 ZINC001204448501 1049163800 /nfs/dbraw/zinc/16/38/00/1049163800.db2.gz UWFUBRDDOOJAOL-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(Cl)s2)C2CCCC2)CC1 ZINC001204448501 1049163804 /nfs/dbraw/zinc/16/38/04/1049163804.db2.gz UWFUBRDDOOJAOL-UHFFFAOYSA-N 2 2 312.910 4.240 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001179746924 1049203053 /nfs/dbraw/zinc/20/30/53/1049203053.db2.gz FKPXZQMENFPIIZ-FQEVSTJZSA-N 2 2 302.506 4.095 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC001179746972 1049203656 /nfs/dbraw/zinc/20/36/56/1049203656.db2.gz GBHDYCWIALINMI-IBDYFIJFSA-N 2 2 302.506 4.191 20 0 DIADLP Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001193526836 1049223648 /nfs/dbraw/zinc/22/36/48/1049223648.db2.gz MFRHSWRMSBVCSG-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001193526836 1049223659 /nfs/dbraw/zinc/22/36/59/1049223659.db2.gz MFRHSWRMSBVCSG-UHFFFAOYSA-N 2 2 317.436 4.047 20 0 DIADLP Cc1cccc([C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C(C)C)c1 ZINC000858286833 1049235976 /nfs/dbraw/zinc/23/59/76/1049235976.db2.gz HYBBBPYRMUQMBS-SFHVURJKSA-N 2 2 317.502 4.000 20 0 DIADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cc(C)ccc1C ZINC000858295633 1049236881 /nfs/dbraw/zinc/23/68/81/1049236881.db2.gz HAOMSHFKIOVKCR-KRWDZBQOSA-N 2 2 317.502 4.062 20 0 DIADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)c2ccccc21 ZINC001193693753 1049246214 /nfs/dbraw/zinc/24/62/14/1049246214.db2.gz HIZQZVWLTGXKEZ-AWEZNQCLSA-N 2 2 302.849 4.240 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)c2ccsc2S1 ZINC001180174403 1049295544 /nfs/dbraw/zinc/29/55/44/1049295544.db2.gz LBLANBOGJBFLDS-SWLSCSKDSA-N 2 2 319.499 4.207 20 0 DIADLP c1cn2ccc(Nc3ccccc3C[NH+]3CCCCC3)cc2[nH+]1 ZINC001204977662 1049328901 /nfs/dbraw/zinc/32/89/01/1049328901.db2.gz IJDOBQKYDIYTDO-UHFFFAOYSA-N 2 2 306.413 4.064 20 0 DIADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc(C)c1-c1ccc(F)cc1 ZINC001205202380 1049409599 /nfs/dbraw/zinc/40/95/99/1049409599.db2.gz TWXTWVJWPLDVEC-DNVCBOLYSA-N 2 2 312.432 4.031 20 0 DIADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc(C)c1-c1ccc(F)cc1 ZINC001205202380 1049409602 /nfs/dbraw/zinc/40/96/02/1049409602.db2.gz TWXTWVJWPLDVEC-DNVCBOLYSA-N 2 2 312.432 4.031 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(C)cc2)CC1 ZINC001205237726 1049414756 /nfs/dbraw/zinc/41/47/56/1049414756.db2.gz NXCKFBAOHJGWNM-MRXNPFEDSA-N 2 2 314.395 4.062 20 0 DIADLP Cc1cc(Cl)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205288498 1049428990 /nfs/dbraw/zinc/42/89/90/1049428990.db2.gz KJEBJNOLPLULNI-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP Cc1cc(Cl)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1 ZINC001205288498 1049428993 /nfs/dbraw/zinc/42/89/93/1049428993.db2.gz KJEBJNOLPLULNI-HNNXBMFYSA-N 2 2 301.261 4.005 20 0 DIADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001205325174 1049439609 /nfs/dbraw/zinc/43/96/09/1049439609.db2.gz KUOHFXZIRLKWBP-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001205325174 1049439616 /nfs/dbraw/zinc/43/96/16/1049439616.db2.gz KUOHFXZIRLKWBP-HNNXBMFYSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001205325175 1049439706 /nfs/dbraw/zinc/43/97/06/1049439706.db2.gz KUOHFXZIRLKWBP-OAHLLOKOSA-N 2 2 314.860 4.191 20 0 DIADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1-c1ccccc1Cl ZINC001205325175 1049439709 /nfs/dbraw/zinc/43/97/09/1049439709.db2.gz KUOHFXZIRLKWBP-OAHLLOKOSA-N 2 2 314.860 4.191 20 0 DIADLP Clc1ccsc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001205339379 1049442858 /nfs/dbraw/zinc/44/28/58/1049442858.db2.gz HYUPUBQCXJSNOL-AWEZNQCLSA-N 2 2 312.910 4.242 20 0 DIADLP Clc1ccsc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001205339379 1049442867 /nfs/dbraw/zinc/44/28/67/1049442867.db2.gz HYUPUBQCXJSNOL-AWEZNQCLSA-N 2 2 312.910 4.242 20 0 DIADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001181242653 1049453250 /nfs/dbraw/zinc/45/32/50/1049453250.db2.gz AWDJOBLHOOJMJI-MOPGFXCFSA-N 2 2 300.490 4.034 20 0 DIADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001181242653 1049453255 /nfs/dbraw/zinc/45/32/55/1049453255.db2.gz AWDJOBLHOOJMJI-MOPGFXCFSA-N 2 2 300.490 4.034 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC001181465046 1049479990 /nfs/dbraw/zinc/47/99/90/1049479990.db2.gz SXXKTBTUUQJVFB-ZVDOUQERSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC001181465046 1049480001 /nfs/dbraw/zinc/48/00/01/1049480001.db2.gz SXXKTBTUUQJVFB-ZVDOUQERSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC001181465044 1049480990 /nfs/dbraw/zinc/48/09/90/1049480990.db2.gz SXXKTBTUUQJVFB-ZJOUEHCJSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC001181465044 1049480995 /nfs/dbraw/zinc/48/09/95/1049480995.db2.gz SXXKTBTUUQJVFB-ZJOUEHCJSA-N 2 2 312.501 4.004 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC2(C1)CCCC2)C1CC1 ZINC001205488775 1049482330 /nfs/dbraw/zinc/48/23/30/1049482330.db2.gz BABLEHJFWPYYIK-HXUWFJFHSA-N 2 2 312.501 4.209 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC2(C1)CCCC2)C1CC1 ZINC001205488775 1049482338 /nfs/dbraw/zinc/48/23/38/1049482338.db2.gz BABLEHJFWPYYIK-HXUWFJFHSA-N 2 2 312.501 4.209 20 0 DIADLP Cc1ccc(CC(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001195280984 1049508251 /nfs/dbraw/zinc/50/82/51/1049508251.db2.gz YWNLWNICJMUCOG-UHFFFAOYSA-N 2 2 319.452 4.292 20 0 DIADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001182035087 1049561691 /nfs/dbraw/zinc/56/16/91/1049561691.db2.gz WKADADGPKYSJHH-KFWWJZLASA-N 2 2 315.848 4.052 20 0 DIADLP Cc1cc(-c2cccc(Cn3cc[nH+]c3)c2)ccc1[C@H]1CCC[NH2+]1 ZINC000863689512 1049589218 /nfs/dbraw/zinc/58/92/18/1049589218.db2.gz BSTVBSHSEGTUMA-OAQYLSRUSA-N 2 2 317.436 4.331 20 0 DIADLP Cc1cc(N[C@H](C)c2cccc(C[NH+](C)C)c2)ccc1[NH+](C)C ZINC000863986501 1049608480 /nfs/dbraw/zinc/60/84/80/1049608480.db2.gz BYHIIDHEELZXHS-MRXNPFEDSA-N 2 2 311.473 4.296 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000339068463 1049655282 /nfs/dbraw/zinc/65/52/82/1049655282.db2.gz KSQVWXMPDSHZOD-IBGZPJMESA-N 2 2 309.457 4.249 20 0 DIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000490324257 1049822507 /nfs/dbraw/zinc/82/25/07/1049822507.db2.gz VJXUZEGLIZKAQF-JSGCOSHPSA-N 2 2 323.362 4.369 20 0 DIADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000490324257 1049822515 /nfs/dbraw/zinc/82/25/15/1049822515.db2.gz VJXUZEGLIZKAQF-JSGCOSHPSA-N 2 2 323.362 4.369 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001207059005 1049826962 /nfs/dbraw/zinc/82/69/62/1049826962.db2.gz SCCSJMZHILYVPF-DYVFJYSZSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001207059005 1049826978 /nfs/dbraw/zinc/82/69/78/1049826978.db2.gz SCCSJMZHILYVPF-DYVFJYSZSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001207057446 1049827048 /nfs/dbraw/zinc/82/70/48/1049827048.db2.gz GNWZIYQNSQKTDI-NRSPTQNISA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001207057446 1049827056 /nfs/dbraw/zinc/82/70/56/1049827056.db2.gz GNWZIYQNSQKTDI-NRSPTQNISA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001207057444 1049827610 /nfs/dbraw/zinc/82/76/10/1049827610.db2.gz GNWZIYQNSQKTDI-JBACZVJFSA-N 2 2 312.501 4.103 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001207057444 1049827616 /nfs/dbraw/zinc/82/76/16/1049827616.db2.gz GNWZIYQNSQKTDI-JBACZVJFSA-N 2 2 312.501 4.103 20 0 DIADLP c1ccc(C2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001207058236 1049828473 /nfs/dbraw/zinc/82/84/73/1049828473.db2.gz NEKHEENDFXVOOG-GRERDSQWSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc(C2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC001207058236 1049828481 /nfs/dbraw/zinc/82/84/81/1049828481.db2.gz NEKHEENDFXVOOG-GRERDSQWSA-N 2 2 312.501 4.319 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H](C)C2 ZINC000491057130 1049883454 /nfs/dbraw/zinc/88/34/54/1049883454.db2.gz WAICJNMDVVUDOW-JXFKEZNVSA-N 2 2 309.457 4.105 20 0 DIADLP CC(C)C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571009046 1049919533 /nfs/dbraw/zinc/91/95/33/1049919533.db2.gz FWLKCLKYDDYUDO-WBVHZDCISA-N 2 2 317.864 4.297 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000571210258 1049928639 /nfs/dbraw/zinc/92/86/39/1049928639.db2.gz AEYAZEZXDFBYMS-OAHLLOKOSA-N 2 2 323.465 4.094 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001207937595 1049960615 /nfs/dbraw/zinc/96/06/15/1049960615.db2.gz LFFDIFJAABIQDV-PWRODBHTSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001207937595 1049960626 /nfs/dbraw/zinc/96/06/26/1049960626.db2.gz LFFDIFJAABIQDV-PWRODBHTSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001207937595 1049960630 /nfs/dbraw/zinc/96/06/30/1049960630.db2.gz LFFDIFJAABIQDV-PWRODBHTSA-N 2 2 316.533 4.485 20 0 DIADLP CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001207937595 1049960649 /nfs/dbraw/zinc/96/06/49/1049960649.db2.gz LFFDIFJAABIQDV-PWRODBHTSA-N 2 2 316.533 4.485 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC001208619227 1049998083 /nfs/dbraw/zinc/99/80/83/1049998083.db2.gz XCRMAECQIYZMOG-CYBMUJFWSA-N 2 2 315.288 4.157 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC001208619227 1049998086 /nfs/dbraw/zinc/99/80/86/1049998086.db2.gz XCRMAECQIYZMOG-CYBMUJFWSA-N 2 2 315.288 4.157 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC001208619227 1049998089 /nfs/dbraw/zinc/99/80/89/1049998089.db2.gz XCRMAECQIYZMOG-CYBMUJFWSA-N 2 2 315.288 4.157 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208619227 1049998092 /nfs/dbraw/zinc/99/80/92/1049998092.db2.gz XCRMAECQIYZMOG-CYBMUJFWSA-N 2 2 315.288 4.157 20 0 DIADLP CC(C)(CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1)c1ccccc1 ZINC001208667234 1050000741 /nfs/dbraw/zinc/00/07/41/1050000741.db2.gz SDPACGBZYZMQSE-UHFFFAOYSA-N 2 2 324.468 4.293 20 0 DIADLP C[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC001208710097 1050004416 /nfs/dbraw/zinc/00/44/16/1050004416.db2.gz PLLLNPCVZDZZKV-KRWDZBQOSA-N 2 2 319.452 4.477 20 0 DIADLP Clc1ccccc1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209448667 1050060559 /nfs/dbraw/zinc/06/05/59/1050060559.db2.gz HCDNXDYNSSNQBG-GOSISDBHSA-N 2 2 306.881 4.353 20 0 DIADLP Clc1ccccc1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209448667 1050060561 /nfs/dbraw/zinc/06/05/61/1050060561.db2.gz HCDNXDYNSSNQBG-GOSISDBHSA-N 2 2 306.881 4.353 20 0 DIADLP Fc1ccccc1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209448858 1050060651 /nfs/dbraw/zinc/06/06/51/1050060651.db2.gz LUTIRIWWFJCCML-IBGZPJMESA-N 2 2 304.453 4.229 20 0 DIADLP Fc1ccccc1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209448858 1050060654 /nfs/dbraw/zinc/06/06/54/1050060654.db2.gz LUTIRIWWFJCCML-IBGZPJMESA-N 2 2 304.453 4.229 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449274 1050061042 /nfs/dbraw/zinc/06/10/42/1050061042.db2.gz WQKZLEYDKJKFHV-SFHVURJKSA-N 2 2 306.881 4.353 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449274 1050061050 /nfs/dbraw/zinc/06/10/50/1050061050.db2.gz WQKZLEYDKJKFHV-SFHVURJKSA-N 2 2 306.881 4.353 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)Cc1c[nH+]ccc1N ZINC001209733318 1050079764 /nfs/dbraw/zinc/07/97/64/1050079764.db2.gz KGHBOBGSWAOLLD-LJQANCHMSA-N 2 2 311.473 4.118 20 0 DIADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cc1c[nH+]ccc1N ZINC001209733318 1050079770 /nfs/dbraw/zinc/07/97/70/1050079770.db2.gz KGHBOBGSWAOLLD-LJQANCHMSA-N 2 2 311.473 4.118 20 0 DIADLP CC[NH+](CC)Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001209822249 1050089106 /nfs/dbraw/zinc/08/91/06/1050089106.db2.gz GBBMKQRXTWSXJC-UHFFFAOYSA-N 2 2 324.472 4.267 20 0 DIADLP c1[nH]c2ccc(Nc3ccccc3C[NH+]3CCCCC3)cc2[nH+]1 ZINC001209847075 1050095002 /nfs/dbraw/zinc/09/50/02/1050095002.db2.gz NSPWZFMODIYDBJ-UHFFFAOYSA-N 2 2 306.413 4.292 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000823944372 1050171799 /nfs/dbraw/zinc/17/17/99/1050171799.db2.gz ZMLWTUXDRIULIY-MRXNPFEDSA-N 2 2 317.521 4.136 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CCC2 ZINC000348070638 1050174759 /nfs/dbraw/zinc/17/47/59/1050174759.db2.gz HFZSGHYLDFIUPY-DZGCQCFKSA-N 2 2 303.837 4.073 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc3sc4ccccc4c3c2)CC[NH2+]1 ZINC001210518983 1050279344 /nfs/dbraw/zinc/27/93/44/1050279344.db2.gz KPQHMXZUDTUDJR-AWEZNQCLSA-N 2 2 310.466 4.238 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc3sc4ccccc4c3c2)CC[NH2+]1 ZINC001210518983 1050279359 /nfs/dbraw/zinc/27/93/59/1050279359.db2.gz KPQHMXZUDTUDJR-AWEZNQCLSA-N 2 2 310.466 4.238 20 0 DIADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171132980 1050451309 /nfs/dbraw/zinc/45/13/09/1050451309.db2.gz IDIGDHZXXIXEHR-LJQANCHMSA-N 2 2 320.908 4.002 20 0 DIADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171132980 1050451316 /nfs/dbraw/zinc/45/13/16/1050451316.db2.gz IDIGDHZXXIXEHR-LJQANCHMSA-N 2 2 320.908 4.002 20 0 DIADLP Cc1[nH]c2ccc(-n3cc(C[C@@H](C)[NH3+])c4ccc(C)cc43)cc2[nH+]1 ZINC001171169251 1050554826 /nfs/dbraw/zinc/55/48/26/1050554826.db2.gz OTKSWKOGENXUAD-CYBMUJFWSA-N 2 2 318.424 4.013 20 0 DIADLP CSCC1(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000595064448 1050595984 /nfs/dbraw/zinc/59/59/84/1050595984.db2.gz BDTQYDQVMNNSQC-HNNXBMFYSA-N 2 2 315.486 4.056 20 0 DIADLP FC(F)[C@@H]1CCC[NH+]1CCCCCC[N@H+]1CCC[C@H]1C(F)F ZINC000761116585 1050643538 /nfs/dbraw/zinc/64/35/38/1050643538.db2.gz CZCLTYFROYNUCL-KBPBESRZSA-N 2 2 324.406 4.006 20 0 DIADLP FC(F)[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000761116585 1050643560 /nfs/dbraw/zinc/64/35/60/1050643560.db2.gz CZCLTYFROYNUCL-KBPBESRZSA-N 2 2 324.406 4.006 20 0 DIADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)C2 ZINC000575222004 1050650249 /nfs/dbraw/zinc/65/02/49/1050650249.db2.gz LHEWXXOXKUYICB-YLJYHZDGSA-N 2 2 309.457 4.178 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001213497129 1050672463 /nfs/dbraw/zinc/67/24/63/1050672463.db2.gz JWIYURBGTFLJAO-UHFFFAOYSA-N 2 2 308.429 4.396 20 0 DIADLP CC1=CC[C@@H]([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000788703888 1050730925 /nfs/dbraw/zinc/73/09/25/1050730925.db2.gz OHORZEDWSPHTSU-QGZVFWFLSA-N 2 2 313.489 4.128 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cc(Cl)ccc2F)C2CCCC2)CC1 ZINC001206036244 1050745068 /nfs/dbraw/zinc/74/50/68/1050745068.db2.gz YPVBCIOIBDSHAS-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cc(Cl)ccc2F)C2CCCC2)CC1 ZINC001206036244 1050745084 /nfs/dbraw/zinc/74/50/84/1050745084.db2.gz YPVBCIOIBDSHAS-UHFFFAOYSA-N 2 2 324.871 4.318 20 0 DIADLP Cc1ccc(N([C@@H](C)CCCC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001170090195 1050757443 /nfs/dbraw/zinc/75/74/43/1050757443.db2.gz IRDNSUJDPBCUPN-KRWDZBQOSA-N 2 2 303.494 4.163 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(F)c1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393564 1050829173 /nfs/dbraw/zinc/82/91/73/1050829173.db2.gz YQPYACHWTJMBNG-ZDUSSCGKSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393220 1050829583 /nfs/dbraw/zinc/82/95/83/1050829583.db2.gz XAFSWTOAXNGKOI-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@H]([NH2+]Cc1cc2ccccc2o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391886 1050830516 /nfs/dbraw/zinc/83/05/16/1050830516.db2.gz MZMDQCNGALUAOR-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393232 1050830821 /nfs/dbraw/zinc/83/08/21/1050830821.db2.gz XJEBJPTVJBHSTC-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1Cl ZINC000037156395 1051113739 /nfs/dbraw/zinc/11/37/39/1051113739.db2.gz FYKANVGNVYESPL-XJKSGUPXSA-N 2 2 305.853 4.302 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC001171629831 1051172225 /nfs/dbraw/zinc/17/22/25/1051172225.db2.gz WNEQMJZMIYREMF-INIZCTEOSA-N 2 2 322.443 4.193 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(C(F)(F)F)o2)CC1(C)C ZINC001171628671 1051172406 /nfs/dbraw/zinc/17/24/06/1051172406.db2.gz FQUVOHWTFDEIRK-UHFFFAOYSA-N 2 2 318.383 4.039 20 0 DIADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(Cl)ccc2F)CC1(C)C ZINC001171619064 1051177649 /nfs/dbraw/zinc/17/76/49/1051177649.db2.gz GHQOLRBKENEIJM-UHFFFAOYSA-N 2 2 312.860 4.220 20 0 DIADLP Cc1ccc(CC[C@H](C)[NH2+]CC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001171658967 1051186066 /nfs/dbraw/zinc/18/60/66/1051186066.db2.gz WEVKWXRTEMLUBJ-IBGZPJMESA-N 2 2 322.496 4.038 20 0 DIADLP Cc1ccc(CC[C@@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001171681471 1051191604 /nfs/dbraw/zinc/19/16/04/1051191604.db2.gz JCXQAZPYXYEEFJ-GOSISDBHSA-N 2 2 302.506 4.121 20 0 DIADLP Cc1ccc(CC[C@@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001171681471 1051191612 /nfs/dbraw/zinc/19/16/12/1051191612.db2.gz JCXQAZPYXYEEFJ-GOSISDBHSA-N 2 2 302.506 4.121 20 0 DIADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)C2 ZINC001172101245 1051281353 /nfs/dbraw/zinc/28/13/53/1051281353.db2.gz XLNIOMLIRMDAMR-CLLJXQQHSA-N 2 2 313.272 4.098 20 0 DIADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)C2 ZINC001172101245 1051281370 /nfs/dbraw/zinc/28/13/70/1051281370.db2.gz XLNIOMLIRMDAMR-CLLJXQQHSA-N 2 2 313.272 4.098 20 0 DIADLP Fc1cc(Nc2cccn3cc[nH+]c23)ccc1C[NH+]1CCCCC1 ZINC001215709709 1051317351 /nfs/dbraw/zinc/31/73/51/1051317351.db2.gz CXJMQLKZJCQAGN-UHFFFAOYSA-N 2 2 324.403 4.203 20 0 DIADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172319032 1051340554 /nfs/dbraw/zinc/34/05/54/1051340554.db2.gz OKPYWILOKSLGAV-WSTZPKSXSA-N 2 2 318.505 4.007 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c2ccccc12 ZINC001168860205 1051454059 /nfs/dbraw/zinc/45/40/59/1051454059.db2.gz UVTLOMBUWYYDBP-UHFFFAOYSA-N 2 2 313.832 4.212 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c2ccccc12 ZINC001168860205 1051454067 /nfs/dbraw/zinc/45/40/67/1051454067.db2.gz UVTLOMBUWYYDBP-UHFFFAOYSA-N 2 2 313.832 4.212 20 0 DIADLP CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001169085920 1051517007 /nfs/dbraw/zinc/51/70/07/1051517007.db2.gz PWIHWYHQNDWFFB-FQEVSTJZSA-N 2 2 311.473 4.177 20 0 DIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(c1cccs1)c1cccs1)C2 ZINC001169124967 1051523701 /nfs/dbraw/zinc/52/37/01/1051523701.db2.gz UVALPBVHCYSHBN-BTTYYORXSA-N 2 2 318.511 4.114 20 0 DIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(c1cccs1)c1cccs1)C2 ZINC001169124967 1051523714 /nfs/dbraw/zinc/52/37/14/1051523714.db2.gz UVALPBVHCYSHBN-BTTYYORXSA-N 2 2 318.511 4.114 20 0 DIADLP Cc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1[NH+](C)C ZINC001169150089 1051535748 /nfs/dbraw/zinc/53/57/48/1051535748.db2.gz ASBVLQRZFUMLCW-VQIMIIECSA-N 2 2 303.494 4.017 20 0 DIADLP CC[NH+]1CCC([NH2+]C(C)(C)c2ccc(Cl)cc2Cl)CC1 ZINC001169230369 1051557457 /nfs/dbraw/zinc/55/74/57/1051557457.db2.gz ZKNZCTRQZNECAL-UHFFFAOYSA-N 2 2 315.288 4.302 20 0 DIADLP c1ccc(C([NH2+]CCCNc2cccc[nH+]2)c2ccccc2)cc1 ZINC000493246301 1051604602 /nfs/dbraw/zinc/60/46/02/1051604602.db2.gz HQCVQMWKQZJEFE-UHFFFAOYSA-N 2 2 317.436 4.263 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173206772 1051644613 /nfs/dbraw/zinc/64/46/13/1051644613.db2.gz WXSDJRIVONIFPL-GHTZIAJQSA-N 2 2 322.496 4.281 20 0 DIADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173206772 1051644624 /nfs/dbraw/zinc/64/46/24/1051644624.db2.gz WXSDJRIVONIFPL-GHTZIAJQSA-N 2 2 322.496 4.281 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173206086 1051645156 /nfs/dbraw/zinc/64/51/56/1051645156.db2.gz SKZYGEPZEHQOJI-MSOLQXFVSA-N 2 2 310.485 4.137 20 0 DIADLP CCCC[C@@H](CC(C)C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001173249919 1051653950 /nfs/dbraw/zinc/65/39/50/1051653950.db2.gz LHPGFMNPFPJUBX-FQEVSTJZSA-N 2 2 302.506 4.313 20 0 DIADLP CC[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272596 1051669247 /nfs/dbraw/zinc/66/92/47/1051669247.db2.gz JUDQBHBBNDEFNX-XLIONFOSSA-N 2 2 300.490 4.162 20 0 DIADLP CC[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272596 1051669251 /nfs/dbraw/zinc/66/92/51/1051669251.db2.gz JUDQBHBBNDEFNX-XLIONFOSSA-N 2 2 300.490 4.162 20 0 DIADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1[nH+]c(C)cc2cc[nH]c21 ZINC001169683476 1051672046 /nfs/dbraw/zinc/67/20/46/1051672046.db2.gz NDDGQEKSIDXTEF-INIZCTEOSA-N 2 2 306.413 4.111 20 0 DIADLP CCSC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001173286988 1051691018 /nfs/dbraw/zinc/69/10/18/1051691018.db2.gz JEHPKXONSFVRFE-KFKAGJAMSA-N 2 2 314.498 4.159 20 0 DIADLP CCSc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000185493679 1051769318 /nfs/dbraw/zinc/76/93/18/1051769318.db2.gz FZKAFGPJVCGJTP-UHFFFAOYSA-N 2 2 323.465 4.274 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1Nc1cccc2cc[nH+]cc21 ZINC001216553766 1051816705 /nfs/dbraw/zinc/81/67/05/1051816705.db2.gz LZQHSKRYNWHPKT-UHFFFAOYSA-N 2 2 300.365 4.223 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494473505 1051901123 /nfs/dbraw/zinc/90/11/23/1051901123.db2.gz ZNZFPBSCMZLDGF-INIZCTEOSA-N 2 2 323.465 4.025 20 0 DIADLP CCc1ccccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189907897 1051930236 /nfs/dbraw/zinc/93/02/36/1051930236.db2.gz FDZGVEPCALSYSC-INIZCTEOSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000192163743 1052001013 /nfs/dbraw/zinc/00/10/13/1052001013.db2.gz MKJMJGHXMXRXEJ-OAQYLSRUSA-N 2 2 317.436 4.422 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000769408086 1052041222 /nfs/dbraw/zinc/04/12/22/1052041222.db2.gz RSFUFFSRCCRDTF-DZGCQCFKSA-N 2 2 320.506 4.229 20 0 DIADLP CCSc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000769910233 1052120440 /nfs/dbraw/zinc/12/04/40/1052120440.db2.gz SOELYTNHJZWKQY-KRWDZBQOSA-N 2 2 317.502 4.200 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000236798648 1052431451 /nfs/dbraw/zinc/43/14/51/1052431451.db2.gz XXBFPCSHXQEMFK-MSOLQXFVSA-N 2 2 315.505 4.245 20 0 DIADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C)cc1 ZINC000236996916 1052432805 /nfs/dbraw/zinc/43/28/05/1052432805.db2.gz YAHPKDPXINTPKF-LJQANCHMSA-N 2 2 309.457 4.100 20 0 DIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000237385168 1052440290 /nfs/dbraw/zinc/44/02/90/1052440290.db2.gz YNVSJGRUZRFOPG-MRXNPFEDSA-N 2 2 321.468 4.387 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1 ZINC000315938562 1052454904 /nfs/dbraw/zinc/45/49/04/1052454904.db2.gz WUNDIGFILNDTDP-DLBZAZTESA-N 2 2 303.425 4.178 20 0 DIADLP C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168497382 1052465174 /nfs/dbraw/zinc/46/51/74/1052465174.db2.gz ASHBTMBVDDQUJJ-INIZCTEOSA-N 2 2 323.415 4.074 20 0 DIADLP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168497382 1052465178 /nfs/dbraw/zinc/46/51/78/1052465178.db2.gz ASHBTMBVDDQUJJ-INIZCTEOSA-N 2 2 323.415 4.074 20 0 DIADLP Cc1csc2sc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c(C)c12 ZINC001222247029 1052467956 /nfs/dbraw/zinc/46/79/56/1052467956.db2.gz ARRVQNIGDUNXIU-QGZVFWFLSA-N 2 2 320.527 4.298 20 0 DIADLP Cc1csc2sc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c(C)c12 ZINC001222247029 1052467960 /nfs/dbraw/zinc/46/79/60/1052467960.db2.gz ARRVQNIGDUNXIU-QGZVFWFLSA-N 2 2 320.527 4.298 20 0 DIADLP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271191 1052471654 /nfs/dbraw/zinc/47/16/54/1052471654.db2.gz CWKLOZMRVVBCKW-KRWDZBQOSA-N 2 2 324.921 4.028 20 0 DIADLP CSc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271191 1052471656 /nfs/dbraw/zinc/47/16/56/1052471656.db2.gz CWKLOZMRVVBCKW-KRWDZBQOSA-N 2 2 324.921 4.028 20 0 DIADLP CC(C)(C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222277377 1052472469 /nfs/dbraw/zinc/47/24/69/1052472469.db2.gz MTWWLYZSSXGGPD-KRWDZBQOSA-N 2 2 324.921 4.039 20 0 DIADLP CC(C)(C[N@H+]1CCC[C@]2(CC[NH2+]2)C1)Sc1ccc(Cl)cc1 ZINC001222277377 1052472473 /nfs/dbraw/zinc/47/24/73/1052472473.db2.gz MTWWLYZSSXGGPD-KRWDZBQOSA-N 2 2 324.921 4.039 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000316783433 1052472903 /nfs/dbraw/zinc/47/29/03/1052472903.db2.gz MXWHIDMSFVFRCC-ILXRZTDVSA-N 2 2 300.446 4.129 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000316783433 1052472907 /nfs/dbraw/zinc/47/29/07/1052472907.db2.gz MXWHIDMSFVFRCC-ILXRZTDVSA-N 2 2 300.446 4.129 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222287309 1052473895 /nfs/dbraw/zinc/47/38/95/1052473895.db2.gz GLJRMRXRBUXALQ-QFIPXVFZSA-N 2 2 320.480 4.298 20 0 DIADLP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222287309 1052473899 /nfs/dbraw/zinc/47/38/99/1052473899.db2.gz GLJRMRXRBUXALQ-QFIPXVFZSA-N 2 2 320.480 4.298 20 0 DIADLP Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222344632 1052488010 /nfs/dbraw/zinc/48/80/10/1052488010.db2.gz BAKDTSBGPBVGKO-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)cc1 ZINC001222344632 1052488013 /nfs/dbraw/zinc/48/80/13/1052488013.db2.gz BAKDTSBGPBVGKO-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222355633 1052490068 /nfs/dbraw/zinc/49/00/68/1052490068.db2.gz SBRMSDQWWKODPE-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222355633 1052490073 /nfs/dbraw/zinc/49/00/73/1052490073.db2.gz SBRMSDQWWKODPE-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001222361095 1052491230 /nfs/dbraw/zinc/49/12/30/1052491230.db2.gz BKJXTDGEPCVALW-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001222361095 1052491235 /nfs/dbraw/zinc/49/12/35/1052491235.db2.gz BKJXTDGEPCVALW-OAHLLOKOSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)c(Cl)c2)C1 ZINC001222362062 1052491978 /nfs/dbraw/zinc/49/19/78/1052491978.db2.gz OFMYUQPSNUHAJU-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)c(Cl)c2)C1 ZINC001222362062 1052491982 /nfs/dbraw/zinc/49/19/82/1052491982.db2.gz OFMYUQPSNUHAJU-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP c1c2ccccc2sc1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385476 1052494272 /nfs/dbraw/zinc/49/42/72/1052494272.db2.gz OCBFEKLFLZVCDW-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1c2ccccc2sc1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385476 1052494274 /nfs/dbraw/zinc/49/42/74/1052494274.db2.gz OCBFEKLFLZVCDW-SFHVURJKSA-N 2 2 300.471 4.009 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222427576 1052499131 /nfs/dbraw/zinc/49/91/31/1052499131.db2.gz SULIAYVQBPVQBT-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccccc2C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222427576 1052499132 /nfs/dbraw/zinc/49/91/32/1052499132.db2.gz SULIAYVQBPVQBT-IBGZPJMESA-N 2 2 312.482 4.133 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222434093 1052499582 /nfs/dbraw/zinc/49/95/82/1052499582.db2.gz BTUAUQKXPNJDOT-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222434093 1052499584 /nfs/dbraw/zinc/49/95/84/1052499584.db2.gz BTUAUQKXPNJDOT-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222434234 1052500251 /nfs/dbraw/zinc/50/02/51/1052500251.db2.gz HCBPSSOYHNOORD-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP c1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)cc1 ZINC001222434234 1052500258 /nfs/dbraw/zinc/50/02/58/1052500258.db2.gz HCBPSSOYHNOORD-NRFANRHFSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cccc1-c1ccccc1 ZINC001222434962 1052500975 /nfs/dbraw/zinc/50/09/75/1052500975.db2.gz MKYWUWFEKZWEKS-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP Cc1c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cccc1-c1ccccc1 ZINC001222434962 1052500986 /nfs/dbraw/zinc/50/09/86/1052500986.db2.gz MKYWUWFEKZWEKS-JOCHJYFZSA-N 2 2 320.480 4.380 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1 ZINC000036996710 1052585071 /nfs/dbraw/zinc/58/50/71/1052585071.db2.gz VOXAZYJNPCOPOC-KNXALSJPSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)c(Cl)c1 ZINC000036996710 1052585076 /nfs/dbraw/zinc/58/50/76/1052585076.db2.gz VOXAZYJNPCOPOC-KNXALSJPSA-N 2 2 313.272 4.271 20 0 DIADLP Cc1cc(CO[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc(C)[nH+]1 ZINC001223422433 1052599178 /nfs/dbraw/zinc/59/91/78/1052599178.db2.gz PFHHRDUCYIQWAP-IERDGZPVSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc(C)[nH+]1 ZINC001223422433 1052599183 /nfs/dbraw/zinc/59/91/83/1052599183.db2.gz PFHHRDUCYIQWAP-IERDGZPVSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001223423377 1052599767 /nfs/dbraw/zinc/59/97/67/1052599767.db2.gz CKEIECXCYQMOTA-HRAATJIYSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001223423377 1052599775 /nfs/dbraw/zinc/59/97/75/1052599775.db2.gz CKEIECXCYQMOTA-HRAATJIYSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC001223423378 1052600221 /nfs/dbraw/zinc/60/02/21/1052600221.db2.gz CKEIECXCYQMOTA-IERDGZPVSA-N 2 2 324.468 4.126 20 0 DIADLP Cc1cc(CO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC001223423378 1052600229 /nfs/dbraw/zinc/60/02/29/1052600229.db2.gz CKEIECXCYQMOTA-IERDGZPVSA-N 2 2 324.468 4.126 20 0 DIADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000038097919 1052631283 /nfs/dbraw/zinc/63/12/83/1052631283.db2.gz LSCHNUFXKXMWNA-LLVKDONJSA-N 2 2 301.261 4.128 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001168518380 1052645533 /nfs/dbraw/zinc/64/55/33/1052645533.db2.gz CNOZZVZKRGUUNU-NRFANRHFSA-N 2 2 317.436 4.422 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127689433 1052701491 /nfs/dbraw/zinc/70/14/91/1052701491.db2.gz PIZCRPLLSRXONN-UHFFFAOYSA-N 2 2 310.441 4.007 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129491799 1052792034 /nfs/dbraw/zinc/79/20/34/1052792034.db2.gz GFKUJXTWMVYICP-GARJFASQSA-N 2 2 319.251 4.266 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000129491799 1052792039 /nfs/dbraw/zinc/79/20/39/1052792039.db2.gz GFKUJXTWMVYICP-GARJFASQSA-N 2 2 319.251 4.266 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000078704755 1052987870 /nfs/dbraw/zinc/98/78/70/1052987870.db2.gz GUYFRONBWHFLRJ-DLBZAZTESA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2Cl)C1 ZINC000078704755 1052987873 /nfs/dbraw/zinc/98/78/73/1052987873.db2.gz GUYFRONBWHFLRJ-DLBZAZTESA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000078704755 1052987878 /nfs/dbraw/zinc/98/78/78/1052987878.db2.gz GUYFRONBWHFLRJ-DLBZAZTESA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000078704755 1052987881 /nfs/dbraw/zinc/98/78/81/1052987881.db2.gz GUYFRONBWHFLRJ-DLBZAZTESA-N 2 2 320.908 4.426 20 0 DIADLP CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000179992382 1053040680 /nfs/dbraw/zinc/04/06/80/1053040680.db2.gz AEOSEVRYXKHGGT-HZPDHXFCSA-N 2 2 303.494 4.064 20 0 DIADLP Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)[nH+]c2ccccc12 ZINC001318532636 1053172950 /nfs/dbraw/zinc/17/29/50/1053172950.db2.gz WDZQPJVBRBKIFZ-UHFFFAOYSA-N 2 2 311.473 4.100 20 0 DIADLP Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)[nH+]c2ccccc12 ZINC001318532636 1053172954 /nfs/dbraw/zinc/17/29/54/1053172954.db2.gz WDZQPJVBRBKIFZ-UHFFFAOYSA-N 2 2 311.473 4.100 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956736 1053196353 /nfs/dbraw/zinc/19/63/53/1053196353.db2.gz JHIQKOJAHVNKSM-BNOWGMLFSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000249956736 1053196357 /nfs/dbraw/zinc/19/63/57/1053196357.db2.gz JHIQKOJAHVNKSM-BNOWGMLFSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251349125 1053231862 /nfs/dbraw/zinc/23/18/62/1053231862.db2.gz GCISYZWDPIZRRF-QJPTWQEYSA-N 2 2 301.261 4.114 20 0 DIADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251349125 1053231871 /nfs/dbraw/zinc/23/18/71/1053231871.db2.gz GCISYZWDPIZRRF-QJPTWQEYSA-N 2 2 301.261 4.114 20 0 DIADLP CCCC(=CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CCC ZINC001319732712 1053268683 /nfs/dbraw/zinc/26/86/83/1053268683.db2.gz MJOUQQXMLYGXOC-UHFFFAOYSA-N 2 2 312.417 4.041 20 0 DIADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)c2ccccc21 ZINC000262337128 1053567945 /nfs/dbraw/zinc/56/79/45/1053567945.db2.gz TYGJBUNZMXYCCV-IKGGRYGDSA-N 2 2 314.429 4.097 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268693824 1053767194 /nfs/dbraw/zinc/76/71/94/1053767194.db2.gz AIKKMIYCEHTZQS-HZPDHXFCSA-N 2 2 321.424 4.293 20 0 DIADLP CC(C)Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001231789406 1053861891 /nfs/dbraw/zinc/86/18/91/1053861891.db2.gz GRSHNARTDIHBAW-UHFFFAOYSA-N 2 2 302.506 4.190 20 0 DIADLP CC(C)Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001231789406 1053861900 /nfs/dbraw/zinc/86/19/00/1053861900.db2.gz GRSHNARTDIHBAW-UHFFFAOYSA-N 2 2 302.506 4.190 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001231809224 1053869126 /nfs/dbraw/zinc/86/91/26/1053869126.db2.gz JDJVKIQINAISER-SIKLNZKXSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001231809224 1053869143 /nfs/dbraw/zinc/86/91/43/1053869143.db2.gz JDJVKIQINAISER-SIKLNZKXSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231809224 1053869156 /nfs/dbraw/zinc/86/91/56/1053869156.db2.gz JDJVKIQINAISER-SIKLNZKXSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231809224 1053869173 /nfs/dbraw/zinc/86/91/73/1053869173.db2.gz JDJVKIQINAISER-SIKLNZKXSA-N 2 2 320.480 4.188 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158163086 1053890490 /nfs/dbraw/zinc/89/04/90/1053890490.db2.gz HKRPWAKMILEHLI-NXEZZACHSA-N 2 2 307.290 4.047 20 0 DIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158163086 1053890503 /nfs/dbraw/zinc/89/05/03/1053890503.db2.gz HKRPWAKMILEHLI-NXEZZACHSA-N 2 2 307.290 4.047 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158162965 1053891743 /nfs/dbraw/zinc/89/17/43/1053891743.db2.gz HKRPWAKMILEHLI-VHSXEESVSA-N 2 2 307.290 4.047 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)sc1Cl ZINC000158162965 1053891756 /nfs/dbraw/zinc/89/17/56/1053891756.db2.gz HKRPWAKMILEHLI-VHSXEESVSA-N 2 2 307.290 4.047 20 0 DIADLP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)c(F)c1 ZINC001232015075 1053944568 /nfs/dbraw/zinc/94/45/68/1053944568.db2.gz AEGNKJCHMMBTBJ-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP Fc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)c(F)c1 ZINC001232015075 1053944580 /nfs/dbraw/zinc/94/45/80/1053944580.db2.gz AEGNKJCHMMBTBJ-SFHVURJKSA-N 2 2 313.351 4.178 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(Cl)cs1 ZINC001232280986 1054012183 /nfs/dbraw/zinc/01/21/83/1054012183.db2.gz WDFZCUAZOPTQPO-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(Cl)cs1 ZINC001232280986 1054012195 /nfs/dbraw/zinc/01/21/95/1054012195.db2.gz WDFZCUAZOPTQPO-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cs1 ZINC001232280986 1054012203 /nfs/dbraw/zinc/01/22/03/1054012203.db2.gz WDFZCUAZOPTQPO-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cs1 ZINC001232280986 1054012216 /nfs/dbraw/zinc/01/22/16/1054012216.db2.gz WDFZCUAZOPTQPO-GJZGRUSLSA-N 2 2 312.910 4.240 20 0 DIADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000164471621 1054057273 /nfs/dbraw/zinc/05/72/73/1054057273.db2.gz GWFUDMRXRCRNKP-GFCCVEGCSA-N 2 2 314.395 4.019 20 0 DIADLP c1cn(CCCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000324548393 1054064781 /nfs/dbraw/zinc/06/47/81/1054064781.db2.gz UGHKPURNZNIFAY-OAQYLSRUSA-N 2 2 319.452 4.237 20 0 DIADLP c1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c2c(c1)CCCC2 ZINC001232633530 1054091588 /nfs/dbraw/zinc/09/15/88/1054091588.db2.gz BBNWSEMFPGLLDD-UHFFFAOYSA-N 2 2 322.452 4.004 20 0 DIADLP Cc1ccc(Cl)cc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001233251391 1054217523 /nfs/dbraw/zinc/21/75/23/1054217523.db2.gz YUIAYAPTMPXFJS-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1ccc(Cl)cc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001233251391 1054217537 /nfs/dbraw/zinc/21/75/37/1054217537.db2.gz YUIAYAPTMPXFJS-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1[nH]c(C2CCN(c3[nH+]ccc4c(C)cccc43)CC2)[nH+]c1C ZINC001337472581 1054271508 /nfs/dbraw/zinc/27/15/08/1054271508.db2.gz YLAVETPLRWOZNJ-UHFFFAOYSA-N 2 2 320.440 4.267 20 0 DIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C1CCCCC1 ZINC001234031868 1054420483 /nfs/dbraw/zinc/42/04/83/1054420483.db2.gz BNIQFXKWSFLZGG-UHFFFAOYSA-N 2 2 313.445 4.036 20 0 DIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C1CCCCC1 ZINC001234031868 1054420491 /nfs/dbraw/zinc/42/04/91/1054420491.db2.gz BNIQFXKWSFLZGG-UHFFFAOYSA-N 2 2 313.445 4.036 20 0 DIADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001345077138 1054486294 /nfs/dbraw/zinc/48/62/94/1054486294.db2.gz LGBLFKDVMBCNST-UHFFFAOYSA-N 2 2 324.871 4.366 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235143935 1054665551 /nfs/dbraw/zinc/66/55/51/1054665551.db2.gz GVNOLIMAZGDAJC-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143935 1054665558 /nfs/dbraw/zinc/66/55/58/1054665558.db2.gz GVNOLIMAZGDAJC-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP CCOc1ccccc1[C@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000179675596 1054694918 /nfs/dbraw/zinc/69/49/18/1054694918.db2.gz JSFJQADYTVMWBP-SFHVURJKSA-N 2 2 315.461 4.049 20 0 DIADLP C[N@H+](Cc1ccccc1-c1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235343341 1054702426 /nfs/dbraw/zinc/70/24/26/1054702426.db2.gz UJGBYPNYLVULSH-MRXNPFEDSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@@H+](Cc1ccccc1-c1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235343341 1054702440 /nfs/dbraw/zinc/70/24/40/1054702440.db2.gz UJGBYPNYLVULSH-MRXNPFEDSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+](Cc1ccccc1-c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235348456 1054705866 /nfs/dbraw/zinc/70/58/66/1054705866.db2.gz YPGAXVRJDCKNCH-GOSISDBHSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@@H+](Cc1ccccc1-c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235348456 1054705878 /nfs/dbraw/zinc/70/58/78/1054705878.db2.gz YPGAXVRJDCKNCH-GOSISDBHSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1Cl)C1CC[NH2+]CC1 ZINC001235464258 1054729373 /nfs/dbraw/zinc/72/93/73/1054729373.db2.gz BGVOXDMSQHEERF-UHFFFAOYSA-N 2 2 314.860 4.191 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1Cl)C1CC[NH2+]CC1 ZINC001235464258 1054729386 /nfs/dbraw/zinc/72/93/86/1054729386.db2.gz BGVOXDMSQHEERF-UHFFFAOYSA-N 2 2 314.860 4.191 20 0 DIADLP CCCCCCc1csc(C[NH+]2CCC([NH2+]CC)CC2)c1 ZINC001235724598 1054787988 /nfs/dbraw/zinc/78/79/88/1054787988.db2.gz QZTSTPQCDRPPBM-UHFFFAOYSA-N 2 2 308.535 4.445 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2ccc(Oc3ccccc3)c(C)c2)CC1 ZINC001235723499 1054788345 /nfs/dbraw/zinc/78/83/45/1054788345.db2.gz CLAWMSODZXYXID-UHFFFAOYSA-N 2 2 324.468 4.361 20 0 DIADLP CCCCCCc1ccc(C[NH+]2CCC([NH2+]CC)CC2)s1 ZINC001235725383 1054788865 /nfs/dbraw/zinc/78/88/65/1054788865.db2.gz VYPIVBZURZPNSL-UHFFFAOYSA-N 2 2 308.535 4.445 20 0 DIADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891420 1054832937 /nfs/dbraw/zinc/83/29/37/1054832937.db2.gz IFORZDILISWURS-HIFRSBDPSA-N 2 2 310.466 4.366 20 0 DIADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2sc3ccccc3c2c1 ZINC001235891420 1054832942 /nfs/dbraw/zinc/83/29/42/1054832942.db2.gz IFORZDILISWURS-HIFRSBDPSA-N 2 2 310.466 4.366 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235904539 1054843048 /nfs/dbraw/zinc/84/30/48/1054843048.db2.gz KJCCBOWCTYMLNY-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2)c1 ZINC001235904539 1054843058 /nfs/dbraw/zinc/84/30/58/1054843058.db2.gz KJCCBOWCTYMLNY-PKOBYXMFSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001235927301 1054851633 /nfs/dbraw/zinc/85/16/33/1054851633.db2.gz GVNKQKBUJXEVIZ-LJQANCHMSA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001235927301 1054851640 /nfs/dbraw/zinc/85/16/40/1054851640.db2.gz GVNKQKBUJXEVIZ-LJQANCHMSA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235946950 1054863814 /nfs/dbraw/zinc/86/38/14/1054863814.db2.gz FBWBRGPJWAJABS-UHFFFAOYSA-N 2 2 302.849 4.176 20 0 DIADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235946950 1054863826 /nfs/dbraw/zinc/86/38/26/1054863826.db2.gz FBWBRGPJWAJABS-UHFFFAOYSA-N 2 2 302.849 4.176 20 0 DIADLP Fc1c(C[NH+]2CCCCC2)cccc1-c1ccn2cc[nH+]c2c1 ZINC001236012966 1054898492 /nfs/dbraw/zinc/89/84/92/1054898492.db2.gz VSOFLUAVNPWMFS-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP CCC[N@H+](Cc1cc(F)c(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC001236184766 1054985650 /nfs/dbraw/zinc/98/56/50/1054985650.db2.gz OCWAMUHYLNRFRH-UHFFFAOYSA-N 2 2 319.251 4.097 20 0 DIADLP CCC[N@@H+](Cc1cc(F)c(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC001236184766 1054985662 /nfs/dbraw/zinc/98/56/62/1054985662.db2.gz OCWAMUHYLNRFRH-UHFFFAOYSA-N 2 2 319.251 4.097 20 0 DIADLP C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204716 1054999107 /nfs/dbraw/zinc/99/91/07/1054999107.db2.gz APKMFXNMRDGOLL-FQEVSTJZSA-N 2 2 313.489 4.039 20 0 DIADLP C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204716 1054999116 /nfs/dbraw/zinc/99/91/16/1054999116.db2.gz APKMFXNMRDGOLL-FQEVSTJZSA-N 2 2 313.489 4.039 20 0 DIADLP C[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217354 1055004321 /nfs/dbraw/zinc/00/43/21/1055004321.db2.gz OIVHMAKZVCHDSD-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217354 1055004335 /nfs/dbraw/zinc/00/43/35/1055004335.db2.gz OIVHMAKZVCHDSD-ZIAGYGMSSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1cccc(SC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218937 1055007645 /nfs/dbraw/zinc/00/76/45/1055007645.db2.gz TWJVJEWYOKXAIJ-UONOGXRCSA-N 2 2 318.408 4.000 20 0 DIADLP C[N@@H+](Cc1cccc(SC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218937 1055007659 /nfs/dbraw/zinc/00/76/59/1055007659.db2.gz TWJVJEWYOKXAIJ-UONOGXRCSA-N 2 2 318.408 4.000 20 0 DIADLP C[N@H+](Cc1cccc(SC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218931 1055008809 /nfs/dbraw/zinc/00/88/09/1055008809.db2.gz TWJVJEWYOKXAIJ-KBPBESRZSA-N 2 2 318.408 4.000 20 0 DIADLP C[N@@H+](Cc1cccc(SC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218931 1055008825 /nfs/dbraw/zinc/00/88/25/1055008825.db2.gz TWJVJEWYOKXAIJ-KBPBESRZSA-N 2 2 318.408 4.000 20 0 DIADLP c1ccc(-c2ccccc2C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236219027 1055009199 /nfs/dbraw/zinc/00/91/99/1055009199.db2.gz VEAQNEOQMFPUEK-FQEVSTJZSA-N 2 2 306.453 4.070 20 0 DIADLP c1ccc(-c2ccccc2C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236219027 1055009214 /nfs/dbraw/zinc/00/92/14/1055009214.db2.gz VEAQNEOQMFPUEK-FQEVSTJZSA-N 2 2 306.453 4.070 20 0 DIADLP c1ccc(-c2cccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001236242869 1055027689 /nfs/dbraw/zinc/02/76/89/1055027689.db2.gz ZSGKUHUYZVNVMC-OAQYLSRUSA-N 2 2 306.453 4.070 20 0 DIADLP c1ccc(-c2cccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001236242869 1055027702 /nfs/dbraw/zinc/02/77/02/1055027702.db2.gz ZSGKUHUYZVNVMC-OAQYLSRUSA-N 2 2 306.453 4.070 20 0 DIADLP c1cn(CCC[N@@H+]2CCC[C@H]2c2cccc3ccccc32)c[nH+]1 ZINC000183166427 1055033951 /nfs/dbraw/zinc/03/39/51/1055033951.db2.gz LALKQWXYURLGJW-FQEVSTJZSA-N 2 2 305.425 4.264 20 0 DIADLP c1cn(CCC[N@H+]2CCC[C@H]2c2cccc3ccccc32)c[nH+]1 ZINC000183166427 1055033953 /nfs/dbraw/zinc/03/39/53/1055033953.db2.gz LALKQWXYURLGJW-FQEVSTJZSA-N 2 2 305.425 4.264 20 0 DIADLP c1cc2cccc(C[N@@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)c2o1 ZINC001236270978 1055047698 /nfs/dbraw/zinc/04/76/98/1055047698.db2.gz QKXSMQJTYNTDTH-FQEVSTJZSA-N 2 2 320.436 4.187 20 0 DIADLP c1cc2cccc(C[N@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)c2o1 ZINC001236270978 1055047709 /nfs/dbraw/zinc/04/77/09/1055047709.db2.gz QKXSMQJTYNTDTH-FQEVSTJZSA-N 2 2 320.436 4.187 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236417604 1055105669 /nfs/dbraw/zinc/10/56/69/1055105669.db2.gz BZFDBJQJSFHZIS-LAUBAEHRSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2)cc1 ZINC001236417604 1055105674 /nfs/dbraw/zinc/10/56/74/1055105674.db2.gz BZFDBJQJSFHZIS-LAUBAEHRSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1CC[NH2+]C1 ZINC001236529394 1055162825 /nfs/dbraw/zinc/16/28/25/1055162825.db2.gz LODZIMLSVNUZSF-MRXNPFEDSA-N 2 2 308.425 4.158 20 0 DIADLP CC(C)[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@@H]1CC[NH2+]C1 ZINC001236529394 1055162830 /nfs/dbraw/zinc/16/28/30/1055162830.db2.gz LODZIMLSVNUZSF-MRXNPFEDSA-N 2 2 308.425 4.158 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2ccoc21 ZINC001236734465 1055245225 /nfs/dbraw/zinc/24/52/25/1055245225.db2.gz DSLUIPPZZDTVGP-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2ccoc21 ZINC001236734465 1055245233 /nfs/dbraw/zinc/24/52/33/1055245233.db2.gz DSLUIPPZZDTVGP-UHFFFAOYSA-N 2 2 317.392 4.251 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000383482362 1055280688 /nfs/dbraw/zinc/28/06/88/1055280688.db2.gz SQYUZFGHPIYEQI-IMFGXOCKSA-N 2 2 324.468 4.015 20 0 DIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000383482362 1055280704 /nfs/dbraw/zinc/28/07/04/1055280704.db2.gz SQYUZFGHPIYEQI-IMFGXOCKSA-N 2 2 324.468 4.015 20 0 DIADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001236898909 1055306812 /nfs/dbraw/zinc/30/68/12/1055306812.db2.gz AQKDZAZDODUFPP-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001236898909 1055306830 /nfs/dbraw/zinc/30/68/30/1055306830.db2.gz AQKDZAZDODUFPP-ZDUSSCGKSA-N 2 2 322.374 4.151 20 0 DIADLP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902870 1055307866 /nfs/dbraw/zinc/30/78/66/1055307866.db2.gz JPQUIOMWNBRASJ-ZIAGYGMSSA-N 2 2 303.837 4.289 20 0 DIADLP Clc1cc(C[NH+]2CCC3(CCC3)CC2)ccc1-n1cc[nH+]c1 ZINC001236910045 1055311516 /nfs/dbraw/zinc/31/15/16/1055311516.db2.gz ZGFJPLJINVCNBN-UHFFFAOYSA-N 2 2 315.848 4.292 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CC1 ZINC001236913114 1055313267 /nfs/dbraw/zinc/31/32/67/1055313267.db2.gz DQTCIIHRFCJXKB-UHFFFAOYSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CC1 ZINC001236913114 1055313285 /nfs/dbraw/zinc/31/32/85/1055313285.db2.gz DQTCIIHRFCJXKB-UHFFFAOYSA-N 2 2 303.837 4.146 20 0 DIADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C1CCCCC1 ZINC001236914170 1055315274 /nfs/dbraw/zinc/31/52/74/1055315274.db2.gz SJAPAHJWEHJGNM-UHFFFAOYSA-N 2 2 303.837 4.290 20 0 DIADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C1CCCCC1 ZINC001236914170 1055315289 /nfs/dbraw/zinc/31/52/89/1055315289.db2.gz SJAPAHJWEHJGNM-UHFFFAOYSA-N 2 2 303.837 4.290 20 0 DIADLP Clc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1-n1cc[nH+]c1 ZINC001236915206 1055317766 /nfs/dbraw/zinc/31/77/66/1055317766.db2.gz ZUORYNANALYXMU-NVXWUHKLSA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1-n1cc[nH+]c1 ZINC001236915206 1055317786 /nfs/dbraw/zinc/31/77/86/1055317786.db2.gz ZUORYNANALYXMU-NVXWUHKLSA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001236917149 1055319452 /nfs/dbraw/zinc/31/94/52/1055319452.db2.gz RJWNDTMUCXGGGB-RDTXWAMCSA-N 2 2 315.848 4.290 20 0 DIADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001236917149 1055319469 /nfs/dbraw/zinc/31/94/69/1055319469.db2.gz RJWNDTMUCXGGGB-RDTXWAMCSA-N 2 2 315.848 4.290 20 0 DIADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc(Oc3ccccc3)cc2)CC1 ZINC001237014936 1055341276 /nfs/dbraw/zinc/34/12/76/1055341276.db2.gz HWKISVRTWUXOOW-MRXNPFEDSA-N 2 2 310.441 4.006 20 0 DIADLP CCOc1cccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000765249400 1055344985 /nfs/dbraw/zinc/34/49/85/1055344985.db2.gz IEXBYOSVMIMVLP-MAUKXSAKSA-N 2 2 315.461 4.047 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1F ZINC000765252942 1055345373 /nfs/dbraw/zinc/34/53/73/1055345373.db2.gz UBOWHFBCRGUMIU-IRXDYDNUSA-N 2 2 321.415 4.317 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)ccc1F ZINC000765249311 1055345781 /nfs/dbraw/zinc/34/57/81/1055345781.db2.gz GLNTUTFTFAIAKR-DLBZAZTESA-N 2 2 321.415 4.317 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(s1)CCC2 ZINC000765358546 1055368411 /nfs/dbraw/zinc/36/84/11/1055368411.db2.gz IKEQZMMHBDICTL-AWEZNQCLSA-N 2 2 323.465 4.273 20 0 DIADLP c1cc(OC2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)cc[nH+]1 ZINC001237108275 1055375576 /nfs/dbraw/zinc/37/55/76/1055375576.db2.gz JKZDYFBBLCKVGQ-UHFFFAOYSA-N 2 2 322.452 4.393 20 0 DIADLP Cc1c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc(F)c1F ZINC001237154994 1055386344 /nfs/dbraw/zinc/38/63/44/1055386344.db2.gz CNFOYFMSKNOWFT-QGZVFWFLSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc(F)c1F ZINC001237154994 1055386357 /nfs/dbraw/zinc/38/63/57/1055386357.db2.gz CNFOYFMSKNOWFT-QGZVFWFLSA-N 2 2 322.443 4.114 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001237185839 1055394552 /nfs/dbraw/zinc/39/45/52/1055394552.db2.gz RRVAWEQLRGCUSF-LJQANCHMSA-N 2 2 318.420 4.148 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001237185839 1055394566 /nfs/dbraw/zinc/39/45/66/1055394566.db2.gz RRVAWEQLRGCUSF-LJQANCHMSA-N 2 2 318.420 4.148 20 0 DIADLP FC(F)Sc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000171933993 1055417780 /nfs/dbraw/zinc/41/77/80/1055417780.db2.gz GZYYIBQBORPKJU-UHFFFAOYSA-N 2 2 323.412 4.035 20 0 DIADLP c1ccc2c(c1)C[N@@H+](Cc1ccccc1C1CC1)C21CC[NH2+]CC1 ZINC001237305969 1055423911 /nfs/dbraw/zinc/42/39/11/1055423911.db2.gz YNRSMOQQMQZAAD-UHFFFAOYSA-N 2 2 318.464 4.159 20 0 DIADLP c1ccc2c(c1)C[N@H+](Cc1ccccc1C1CC1)C21CC[NH2+]CC1 ZINC001237305969 1055423916 /nfs/dbraw/zinc/42/39/16/1055423916.db2.gz YNRSMOQQMQZAAD-UHFFFAOYSA-N 2 2 318.464 4.159 20 0 DIADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000015185024 1055439776 /nfs/dbraw/zinc/43/97/76/1055439776.db2.gz LFWKZBXOCJTOOB-MRXNPFEDSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC001237460845 1055455073 /nfs/dbraw/zinc/45/50/73/1055455073.db2.gz ZAAJTMFJMFOPKU-LJQANCHMSA-N 2 2 310.441 4.167 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(C(C)C)c2)C1 ZINC001237460845 1055455083 /nfs/dbraw/zinc/45/50/83/1055455083.db2.gz ZAAJTMFJMFOPKU-LJQANCHMSA-N 2 2 310.441 4.167 20 0 DIADLP CC(C)c1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001237461469 1055455783 /nfs/dbraw/zinc/45/57/83/1055455783.db2.gz HEYMMNUZZNHDFS-UHFFFAOYSA-N 2 2 318.480 4.208 20 0 DIADLP Fc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cccc12 ZINC001237519597 1055467625 /nfs/dbraw/zinc/46/76/25/1055467625.db2.gz VQOPAAYMEOFTQE-UHFFFAOYSA-N 2 2 309.388 4.013 20 0 DIADLP C[C@H]([NH2+]C/C=C/c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890405 1055514676 /nfs/dbraw/zinc/51/46/76/1055514676.db2.gz LSFMZBXTQBVLNS-WMHVBEDNSA-N 2 2 321.399 4.375 20 0 DIADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC001237729392 1055516299 /nfs/dbraw/zinc/51/62/99/1055516299.db2.gz AXIKIMUTGQEFCP-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC001237729392 1055516304 /nfs/dbraw/zinc/51/63/04/1055516304.db2.gz AXIKIMUTGQEFCP-UHFFFAOYSA-N 2 2 318.505 4.087 20 0 DIADLP Cc1cc[nH+]c2cc(N3C[C@H](CC[NH3+])c4ccccc43)ccc12 ZINC001168549998 1055534720 /nfs/dbraw/zinc/53/47/20/1055534720.db2.gz RLGQZKRIOKEXSR-HNNXBMFYSA-N 2 2 303.409 4.127 20 0 DIADLP CC(C)(C[NH2+]Cc1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC001620922788 1055542748 /nfs/dbraw/zinc/54/27/48/1055542748.db2.gz LAPCWWYIPDKEAZ-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1Oc1ccccc1 ZINC001238527566 1055679899 /nfs/dbraw/zinc/67/98/99/1055679899.db2.gz VURCKHVNWWYWOF-UHFFFAOYSA-N 2 2 324.468 4.313 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC001620768793 1055939477 /nfs/dbraw/zinc/93/94/77/1055939477.db2.gz XBYDLOFHJUPVLL-UHFFFAOYSA-N 2 2 317.502 4.423 20 0 DIADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC001621016822 1055983838 /nfs/dbraw/zinc/98/38/38/1055983838.db2.gz AEFCLUJAMRTYPB-LJQANCHMSA-N 2 2 308.469 4.236 20 0 DIADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC001621016822 1055983848 /nfs/dbraw/zinc/98/38/48/1055983848.db2.gz AEFCLUJAMRTYPB-LJQANCHMSA-N 2 2 308.469 4.236 20 0 DIADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001621036376 1055998671 /nfs/dbraw/zinc/99/86/71/1055998671.db2.gz DEORCGOIFGWKIK-IBGZPJMESA-N 2 2 300.490 4.190 20 0 DIADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001621036376 1055998681 /nfs/dbraw/zinc/99/86/81/1055998681.db2.gz DEORCGOIFGWKIK-IBGZPJMESA-N 2 2 300.490 4.190 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001621037017 1055999104 /nfs/dbraw/zinc/99/91/04/1055999104.db2.gz XLZNBIHYNGTALD-RHYRFBSLSA-N 2 2 312.501 4.477 20 0 DIADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001621037017 1055999115 /nfs/dbraw/zinc/99/91/15/1055999115.db2.gz XLZNBIHYNGTALD-RHYRFBSLSA-N 2 2 312.501 4.477 20 0 DIADLP C[C@@H](C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1)Cn1cc[nH+]c1 ZINC001649102215 1056000038 /nfs/dbraw/zinc/00/00/38/1056000038.db2.gz ZMVLGIFZDGSWJW-HNNXBMFYSA-N 2 2 309.457 4.064 20 0 DIADLP Cc1cccc([C@@H](C)C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001620809329 1056003608 /nfs/dbraw/zinc/00/36/08/1056003608.db2.gz UWTSNFGARQVTCH-HNNXBMFYSA-N 2 2 311.454 4.136 20 0 DIADLP COc1ccc(C(C)C)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239662441 1056010968 /nfs/dbraw/zinc/01/09/68/1056010968.db2.gz YVRKJBPPMFPOHQ-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(C(C)C)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239662441 1056010978 /nfs/dbraw/zinc/01/09/78/1056010978.db2.gz YVRKJBPPMFPOHQ-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP c1cc(-c2ccc(C[NH+]3CCCC3)cc2)cc(N2CCCCC2)[nH+]1 ZINC001240051236 1056285135 /nfs/dbraw/zinc/28/51/35/1056285135.db2.gz NSDQHKLQWMYAMF-UHFFFAOYSA-N 2 2 321.468 4.335 20 0 DIADLP c1cn(-c2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2)c[nH+]1 ZINC001240058641 1056291434 /nfs/dbraw/zinc/29/14/34/1056291434.db2.gz FHGQRCJMJGCWPP-UHFFFAOYSA-N 2 2 303.409 4.135 20 0 DIADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474253 1056316908 /nfs/dbraw/zinc/31/69/08/1056316908.db2.gz LCUMAKSKSSPZHE-WXLSXGNJSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000474474253 1056316930 /nfs/dbraw/zinc/31/69/30/1056316930.db2.gz LCUMAKSKSSPZHE-WXLSXGNJSA-N 2 2 320.443 4.208 20 0 DIADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471792 1056317379 /nfs/dbraw/zinc/31/73/79/1056317379.db2.gz NUULCVPRIOIGEK-WXLSXGNJSA-N 2 2 320.443 4.065 20 0 DIADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474471792 1056317394 /nfs/dbraw/zinc/31/73/94/1056317394.db2.gz NUULCVPRIOIGEK-WXLSXGNJSA-N 2 2 320.443 4.065 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001613036197 1056347184 /nfs/dbraw/zinc/34/71/84/1056347184.db2.gz DMVIVRVLNACDPJ-HNNXBMFYSA-N 2 2 306.498 4.112 20 0 DIADLP CC(C)(C)[NH2+]Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001240370448 1056456760 /nfs/dbraw/zinc/45/67/60/1056456760.db2.gz LHHUHTYHMIMIAJ-UHFFFAOYSA-N 2 2 305.425 4.427 20 0 DIADLP CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1 ZINC001240373383 1056459856 /nfs/dbraw/zinc/45/98/56/1056459856.db2.gz IBUMXFJMIBRTAS-UHFFFAOYSA-N 2 2 319.452 4.487 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccccc2)C(C)(C)C)s1 ZINC000347669177 1056498458 /nfs/dbraw/zinc/49/84/58/1056498458.db2.gz FLYRFFKLPNGBSR-UHFFFAOYSA-N 2 2 317.502 4.005 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccccc2)C(C)(C)C)s1 ZINC000347669177 1056498472 /nfs/dbraw/zinc/49/84/72/1056498472.db2.gz FLYRFFKLPNGBSR-UHFFFAOYSA-N 2 2 317.502 4.005 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896729 1056592893 /nfs/dbraw/zinc/59/28/93/1056592893.db2.gz ZOIJIJLQSBSHEG-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896729 1056592909 /nfs/dbraw/zinc/59/29/09/1056592909.db2.gz ZOIJIJLQSBSHEG-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896729 1056592925 /nfs/dbraw/zinc/59/29/25/1056592925.db2.gz ZOIJIJLQSBSHEG-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC001615896729 1056592943 /nfs/dbraw/zinc/59/29/43/1056592943.db2.gz ZOIJIJLQSBSHEG-LRDDRELGSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893943 1056593537 /nfs/dbraw/zinc/59/35/37/1056593537.db2.gz GONYULLWCAJUOF-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893943 1056593549 /nfs/dbraw/zinc/59/35/49/1056593549.db2.gz GONYULLWCAJUOF-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893943 1056593558 /nfs/dbraw/zinc/59/35/58/1056593558.db2.gz GONYULLWCAJUOF-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001615893943 1056593567 /nfs/dbraw/zinc/59/35/67/1056593567.db2.gz GONYULLWCAJUOF-WBMJQRKESA-N 2 2 315.288 4.156 20 0 DIADLP CCc1c(C)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC001240740422 1056671833 /nfs/dbraw/zinc/67/18/33/1056671833.db2.gz AUVHYVLPJSSJOW-IBGZPJMESA-N 2 2 308.469 4.066 20 0 DIADLP CCc1c(C)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC001240740422 1056671834 /nfs/dbraw/zinc/67/18/34/1056671834.db2.gz AUVHYVLPJSSJOW-IBGZPJMESA-N 2 2 308.469 4.066 20 0 DIADLP CC(C)(C)c1ccc(C2([NH2+]CCn3cc[nH+]c3)CCCC2)cc1 ZINC001616628808 1056691264 /nfs/dbraw/zinc/69/12/64/1056691264.db2.gz GQMZAACPZUDXRD-UHFFFAOYSA-N 2 2 311.473 4.240 20 0 DIADLP CCCCOc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001241021801 1056824205 /nfs/dbraw/zinc/82/42/05/1056824205.db2.gz SKRQPRFNQAVMNR-GOSISDBHSA-N 2 2 324.468 4.066 20 0 DIADLP CCCCOc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001241021801 1056824212 /nfs/dbraw/zinc/82/42/12/1056824212.db2.gz SKRQPRFNQAVMNR-GOSISDBHSA-N 2 2 324.468 4.066 20 0 DIADLP Cc1[nH]c(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)c(C)[nH+]1 ZINC001618178390 1056930420 /nfs/dbraw/zinc/93/04/20/1056930420.db2.gz YWEMHHWYAKDJMD-OAQYLSRUSA-N 2 2 317.436 4.174 20 0 DIADLP Cc1[nH]c(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)c(C)[nH+]1 ZINC001618178390 1056930429 /nfs/dbraw/zinc/93/04/29/1056930429.db2.gz YWEMHHWYAKDJMD-OAQYLSRUSA-N 2 2 317.436 4.174 20 0 DIADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)nc1 ZINC001241239772 1056975780 /nfs/dbraw/zinc/97/57/80/1056975780.db2.gz CVNFBYVHDIHQDV-LJQANCHMSA-N 2 2 324.472 4.065 20 0 DIADLP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2c[nH+]c(N(C)C)cc2C)nc1 ZINC001241239772 1056975791 /nfs/dbraw/zinc/97/57/91/1056975791.db2.gz CVNFBYVHDIHQDV-LJQANCHMSA-N 2 2 324.472 4.065 20 0 DIADLP CC[NH+](CC)Cc1cc(-c2c[nH+]c(N(C)C)cc2C)ccc1F ZINC001241251349 1056980579 /nfs/dbraw/zinc/98/05/79/1056980579.db2.gz IUHHGTCRXYWEMF-UHFFFAOYSA-N 2 2 315.436 4.104 20 0 DIADLP Cc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)c2[nH+]ccn2c1 ZINC001241389151 1057035634 /nfs/dbraw/zinc/03/56/34/1057035634.db2.gz ZRMRMZFLGBSZTC-UHFFFAOYSA-N 2 2 305.425 4.296 20 0 DIADLP Cc1cc(-c2ccc3ncn([C@@H]4CCC[NH2+]CC4)c3c2)cc(C)[nH+]1 ZINC001241992686 1057232526 /nfs/dbraw/zinc/23/25/26/1057232526.db2.gz WJEGWQIVWDEWKW-GOSISDBHSA-N 2 2 320.440 4.030 20 0 DIADLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000766081069 1057297409 /nfs/dbraw/zinc/29/74/09/1057297409.db2.gz KDMHFKIAZBIINR-NRFANRHFSA-N 2 2 323.484 4.033 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2)c[nH+]1 ZINC000675533278 1057385776 /nfs/dbraw/zinc/38/57/76/1057385776.db2.gz VVSNOJSKUVNBRO-GUDVDZBRSA-N 2 2 309.457 4.321 20 0 DIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000675918252 1057430982 /nfs/dbraw/zinc/43/09/82/1057430982.db2.gz FSSQGLNRQFWZHC-HOCLYGCPSA-N 2 2 311.454 4.116 20 0 DIADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000675921645 1057431130 /nfs/dbraw/zinc/43/11/30/1057431130.db2.gz ZDUHOZCTYKNEEC-KXBFYZLASA-N 2 2 323.415 4.194 20 0 DIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000675921643 1057431424 /nfs/dbraw/zinc/43/14/24/1057431424.db2.gz ZDUHOZCTYKNEEC-HNAYVOBHSA-N 2 2 323.415 4.194 20 0 DIADLP c1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC001242691931 1057449102 /nfs/dbraw/zinc/44/91/02/1057449102.db2.gz QGPFZWDVTVPXMZ-LJQANCHMSA-N 2 2 311.473 4.104 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000727645432 1057662595 /nfs/dbraw/zinc/66/25/95/1057662595.db2.gz JYVRQSLYMXELEN-IBGZPJMESA-N 2 2 323.440 4.348 20 0 DIADLP C[NH+]1CCC(c2ccc(-c3cc[nH+]c(N4CCCC4)c3)cc2)CC1 ZINC001243651705 1057743566 /nfs/dbraw/zinc/74/35/66/1057743566.db2.gz IVAIFPNHXOWIGB-UHFFFAOYSA-N 2 2 321.468 4.158 20 0 DIADLP C[N@@H+]1CC[C@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC001243659693 1057747379 /nfs/dbraw/zinc/74/73/79/1057747379.db2.gz AEOQLZOGEZLXBV-NRFANRHFSA-N 2 2 317.436 4.018 20 0 DIADLP C[N@H+]1CC[C@H](c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC001243659693 1057747382 /nfs/dbraw/zinc/74/73/82/1057747382.db2.gz AEOQLZOGEZLXBV-NRFANRHFSA-N 2 2 317.436 4.018 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4sccc4c3)cc2)C1 ZINC001244297293 1057925987 /nfs/dbraw/zinc/92/59/87/1057925987.db2.gz FTQOPCOWDBCXJO-SFHVURJKSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4sccc4c3)cc2)C1 ZINC001244297293 1057925992 /nfs/dbraw/zinc/92/59/92/1057925992.db2.gz FTQOPCOWDBCXJO-SFHVURJKSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4sccc4c3)c2)C1 ZINC001244298251 1057926637 /nfs/dbraw/zinc/92/66/37/1057926637.db2.gz PGHQQGOSVABINP-GOSISDBHSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4sccc4c3)c2)C1 ZINC001244298251 1057926640 /nfs/dbraw/zinc/92/66/40/1057926640.db2.gz PGHQQGOSVABINP-GOSISDBHSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(C4CCC4)c3)c2)C1 ZINC001244980590 1058085136 /nfs/dbraw/zinc/08/51/36/1058085136.db2.gz FUWMBLPVQWTCIJ-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(C4CCC4)c3)c2)C1 ZINC001244980590 1058085140 /nfs/dbraw/zinc/08/51/40/1058085140.db2.gz FUWMBLPVQWTCIJ-OAQYLSRUSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(C3CCC3)c2)C1 ZINC001244980654 1058085291 /nfs/dbraw/zinc/08/52/91/1058085291.db2.gz HJLPLDYYHRVLRR-FQEVSTJZSA-N 2 2 306.453 4.154 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(C3CCC3)c2)C1 ZINC001244980654 1058085295 /nfs/dbraw/zinc/08/52/95/1058085295.db2.gz HJLPLDYYHRVLRR-FQEVSTJZSA-N 2 2 306.453 4.154 20 0 DIADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc(C4CCCC4)c3)ccn12 ZINC001244988825 1058087432 /nfs/dbraw/zinc/08/74/32/1058087432.db2.gz ODIVWKHYPAJIBF-UHFFFAOYSA-N 2 2 317.436 4.346 20 0 DIADLP c1[nH+]cn(Cc2ccccc2)c1-c1cccc(C2CC[NH2+]CC2)c1 ZINC001245196859 1058126542 /nfs/dbraw/zinc/12/65/42/1058126542.db2.gz JDKBJJFFUCOJKD-UHFFFAOYSA-N 2 2 317.436 4.065 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(Cl)cccc3Cl)cc2)C1 ZINC001245676220 1058336033 /nfs/dbraw/zinc/33/60/33/1058336033.db2.gz SOTJWKLFYKLLEG-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(Cl)cccc3Cl)cc2)C1 ZINC001245676220 1058336049 /nfs/dbraw/zinc/33/60/49/1058336049.db2.gz SOTJWKLFYKLLEG-AWEZNQCLSA-N 2 2 321.251 4.193 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246074783 1058667028 /nfs/dbraw/zinc/66/70/28/1058667028.db2.gz FMGYLXZCJODFSX-RAIGVLPGSA-N 2 2 301.261 4.175 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2c(Cl)cccc2Cl)C[C@@H](CC)[NH2+]1 ZINC001246074777 1058665873 /nfs/dbraw/zinc/66/58/73/1058665873.db2.gz QKWRDGRLCVYUNF-VXGBXAGGSA-N 2 2 315.288 4.392 20 0 DIADLP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246078084 1058667401 /nfs/dbraw/zinc/66/74/01/1058667401.db2.gz GDAXGKCPDZSQLE-QZTJIDSGSA-N 2 2 318.823 4.062 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246074767 1058667554 /nfs/dbraw/zinc/66/75/54/1058667554.db2.gz QIGCXVLSTWYBRU-NHYWBVRUSA-N 2 2 315.288 4.250 20 0 DIADLP [NH3+]C[C@@H]([NH2+]C1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC001246077219 1058668016 /nfs/dbraw/zinc/66/80/16/1058668016.db2.gz QWDHTDXTBSDLOP-DQVLVPHSSA-N 2 2 308.469 4.078 20 0 DIADLP [NH3+]C[C@H]([NH2+]C1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC001246078089 1058671413 /nfs/dbraw/zinc/67/14/13/1058671413.db2.gz GHYUGUKBEOHQPD-IRQNMHNUSA-N 2 2 320.480 4.103 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246115907 1058683069 /nfs/dbraw/zinc/68/30/69/1058683069.db2.gz KMHIIYXKJDSMDR-RAIGVLPGSA-N 2 2 301.261 4.175 20 0 DIADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246141099 1058696835 /nfs/dbraw/zinc/69/68/35/1058696835.db2.gz KAIGLIJMQWSQQW-VSKRKVRLSA-N 2 2 322.496 4.337 20 0 DIADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246178997 1058724521 /nfs/dbraw/zinc/72/45/21/1058724521.db2.gz CBVUUQUNEWXEEH-HIFRSBDPSA-N 2 2 315.288 4.250 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2(F)CCCCC2)CC[NH2+]1 ZINC001246187838 1058731872 /nfs/dbraw/zinc/73/18/72/1058731872.db2.gz XGAZWAFZGCVJKQ-SJLPKXTDSA-N 2 2 322.443 4.189 20 0 DIADLP CCCCC[C@@H](CCC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197181 1058736957 /nfs/dbraw/zinc/73/69/57/1058736957.db2.gz YYCKUGSUYLTNEG-CABCVRRESA-N 2 2 308.432 4.256 20 0 DIADLP CCCCC[C@@H](CCC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197183 1058737967 /nfs/dbraw/zinc/73/79/67/1058737967.db2.gz YYCKUGSUYLTNEG-HUUCEWRRSA-N 2 2 308.432 4.256 20 0 DIADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1Cl ZINC001246230898 1058752118 /nfs/dbraw/zinc/75/21/18/1058752118.db2.gz APZGVASJTDDQIK-WBVHZDCISA-N 2 2 318.823 4.062 20 0 DIADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@H](CC)[NH2+]1 ZINC001246229587 1058753431 /nfs/dbraw/zinc/75/34/31/1058753431.db2.gz DMRWNCHWIPKDPS-ITGUQSILSA-N 2 2 316.823 4.017 20 0 DIADLP CC[C@@H]1CC([NH2+][C@H](c2ccccc2)c2ccccn2)C[C@@H](CC)[NH2+]1 ZINC001246233771 1058756751 /nfs/dbraw/zinc/75/67/51/1058756751.db2.gz DZYBJJAMEAQPBG-DBXWQHBBSA-N 2 2 323.484 4.070 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246237931 1058760705 /nfs/dbraw/zinc/76/07/05/1058760705.db2.gz XVSNEJYNRVDQIP-CHWSQXEVSA-N 2 2 316.823 4.019 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246237951 1058760770 /nfs/dbraw/zinc/76/07/70/1058760770.db2.gz XVSNEJYNRVDQIP-QWHCGFSZSA-N 2 2 316.823 4.019 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1Cl ZINC001246254027 1058773570 /nfs/dbraw/zinc/77/35/70/1058773570.db2.gz NVTCBRBTQPVHTO-NEPJUHHUSA-N 2 2 313.272 4.319 20 0 DIADLP CC[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC001246255462 1058774515 /nfs/dbraw/zinc/77/45/15/1058774515.db2.gz WSIRHLVPVOWTOE-QWHCGFSZSA-N 2 2 313.272 4.103 20 0 DIADLP CC1(C)C[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC001246254484 1058774629 /nfs/dbraw/zinc/77/46/29/1058774629.db2.gz QVWXQKFCNAHFHU-LBPRGKRZSA-N 2 2 313.272 4.103 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246271958 1058788246 /nfs/dbraw/zinc/78/82/46/1058788246.db2.gz YBIMRTAMVHTJLU-CHWSQXEVSA-N 2 2 316.823 4.019 20 0 DIADLP Fc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC001246308390 1058817245 /nfs/dbraw/zinc/81/72/45/1058817245.db2.gz QWVRLTFSKRCRTE-DZFGPLHGSA-N 2 2 324.443 4.360 20 0 DIADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246322290 1058834085 /nfs/dbraw/zinc/83/40/85/1058834085.db2.gz HFNWFIXMSONFRQ-TYNCELHUSA-N 2 2 315.288 4.421 20 0 DIADLP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccn1 ZINC001246327182 1058836917 /nfs/dbraw/zinc/83/69/17/1058836917.db2.gz RCTVKGPQGOOHGK-JBACZVJFSA-N 2 2 323.484 4.252 20 0 DIADLP c1ccc2c(c1)Oc1ccccc1C2[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246328593 1058837101 /nfs/dbraw/zinc/83/71/01/1058837101.db2.gz ZPGUVUZAOYFACV-MUJYYYPQSA-N 2 2 320.436 4.144 20 0 DIADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246342326 1058854336 /nfs/dbraw/zinc/85/43/36/1058854336.db2.gz HFHMMRGFCYCUON-MJGOQNOKSA-N 2 2 314.860 4.231 20 0 DIADLP CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)CC[NH2+]1 ZINC001246353321 1058866451 /nfs/dbraw/zinc/86/64/51/1058866451.db2.gz ZQOYWKDYWOZEOL-LLVKDONJSA-N 2 2 321.679 4.267 20 0 DIADLP CC[C@H]([NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1)c1c(F)cccc1F ZINC001246470481 1058955297 /nfs/dbraw/zinc/95/52/97/1058955297.db2.gz ZGQORWRHQDUUHE-DCGLDWPTSA-N 2 2 310.432 4.315 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+][C@@H](CC)c2c(F)cccc2F)CC[NH2+]1 ZINC001246469519 1058956384 /nfs/dbraw/zinc/95/63/84/1058956384.db2.gz RDTNSDTWJCLKEL-VBQJREDUSA-N 2 2 310.432 4.316 20 0 DIADLP CC[C@H]([NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)c1c(F)cccc1F ZINC001246470482 1058957536 /nfs/dbraw/zinc/95/75/36/1058957536.db2.gz ZGQORWRHQDUUHE-LOUJCGABSA-N 2 2 310.432 4.315 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(SC(F)(F)F)cc1 ZINC001246490283 1058966269 /nfs/dbraw/zinc/96/62/69/1058966269.db2.gz OQDINMOQMQOWOF-YPMHNXCESA-N 2 2 318.408 4.091 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(F)c1Cl ZINC001246492527 1058968949 /nfs/dbraw/zinc/96/89/49/1058968949.db2.gz VYGWZFARHFKLFC-LALPHHSUSA-N 2 2 312.860 4.296 20 0 DIADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001246509478 1058978935 /nfs/dbraw/zinc/97/89/35/1058978935.db2.gz IBNTVWUVMJHDBJ-YFVAEKQCSA-N 2 2 324.468 4.011 20 0 DIADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001246509466 1058979582 /nfs/dbraw/zinc/97/95/82/1058979582.db2.gz IBNTVWUVMJHDBJ-CUWPLCDZSA-N 2 2 324.468 4.011 20 0 DIADLP C[NH2+]CC[C@H](C)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001246527632 1058986206 /nfs/dbraw/zinc/98/62/06/1058986206.db2.gz VFKKKIQSOWDZOF-LBPRGKRZSA-N 2 2 315.288 4.171 20 0 DIADLP CC(C)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538943 1058993620 /nfs/dbraw/zinc/99/36/20/1058993620.db2.gz PMRDIERKIZEOAQ-GOEBONIOSA-N 2 2 315.288 4.202 20 0 DIADLP CC(C)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246538943 1058993659 /nfs/dbraw/zinc/99/36/59/1058993659.db2.gz PMRDIERKIZEOAQ-GOEBONIOSA-N 2 2 315.288 4.202 20 0 DIADLP CC(C)c1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001559120285 1059008373 /nfs/dbraw/zinc/00/83/73/1059008373.db2.gz ABBPNYGOYCBFHE-GJZGRUSLSA-N 2 2 304.482 4.008 20 0 DIADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246609789 1059026463 /nfs/dbraw/zinc/02/64/63/1059026463.db2.gz JSNALQUBPNOBQQ-CQSZACIVSA-N 2 2 324.871 4.018 20 0 DIADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@@H+](C3CCC4(CCCC4)CC3)C[C@@H]21 ZINC001246660476 1059058941 /nfs/dbraw/zinc/05/89/41/1059058941.db2.gz BXICWBSTYBKOBU-VQTJNVASSA-N 2 2 310.485 4.061 20 0 DIADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]21 ZINC001246660476 1059058964 /nfs/dbraw/zinc/05/89/64/1059058964.db2.gz BXICWBSTYBKOBU-VQTJNVASSA-N 2 2 310.485 4.061 20 0 DIADLP C[C@H]1CC[C@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C[NH2+]1 ZINC001246789598 1059093025 /nfs/dbraw/zinc/09/30/25/1059093025.db2.gz CMWULEIXJDGEKK-KKSFZXQISA-N 2 2 308.469 4.160 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815601 1059111162 /nfs/dbraw/zinc/11/11/62/1059111162.db2.gz ZAKFVCFPFZZGHW-SJLPKXTDSA-N 2 2 318.461 4.121 20 0 DIADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH2+]1 ZINC001246815601 1059111187 /nfs/dbraw/zinc/11/11/87/1059111187.db2.gz ZAKFVCFPFZZGHW-SJLPKXTDSA-N 2 2 318.461 4.121 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246834907 1059113549 /nfs/dbraw/zinc/11/35/49/1059113549.db2.gz KAXVHUJDJSWZTK-NCYKPQTJSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246834907 1059113555 /nfs/dbraw/zinc/11/35/55/1059113555.db2.gz KAXVHUJDJSWZTK-NCYKPQTJSA-N 2 2 312.501 4.004 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845426 1059123121 /nfs/dbraw/zinc/12/31/21/1059123121.db2.gz GACSDNPCDODOJO-HZPDHXFCSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246845426 1059123126 /nfs/dbraw/zinc/12/31/26/1059123126.db2.gz GACSDNPCDODOJO-HZPDHXFCSA-N 2 2 306.881 4.009 20 0 DIADLP Clc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246868004 1059142781 /nfs/dbraw/zinc/14/27/81/1059142781.db2.gz MDZSQZSNNFCWRE-VQIMIIECSA-N 2 2 312.844 4.149 20 0 DIADLP Clc1cccc2c1C[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC001246868004 1059142785 /nfs/dbraw/zinc/14/27/85/1059142785.db2.gz MDZSQZSNNFCWRE-VQIMIIECSA-N 2 2 312.844 4.149 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246909641 1059172463 /nfs/dbraw/zinc/17/24/63/1059172463.db2.gz GLGKQYNQPDHIMN-JJLQDPRZSA-N 2 2 315.288 4.344 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246909641 1059172469 /nfs/dbraw/zinc/17/24/69/1059172469.db2.gz GLGKQYNQPDHIMN-JJLQDPRZSA-N 2 2 315.288 4.344 20 0 DIADLP CCCCC(CCCC)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246949681 1059195141 /nfs/dbraw/zinc/19/51/41/1059195141.db2.gz PHDKQRXYYDDSDQ-HXUWFJFHSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC(CCCC)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246949681 1059195147 /nfs/dbraw/zinc/19/51/47/1059195147.db2.gz PHDKQRXYYDDSDQ-HXUWFJFHSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@@H](CC)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246960229 1059203233 /nfs/dbraw/zinc/20/32/33/1059203233.db2.gz GKYDSEQKWUZCAB-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCCC[C@@H](CC)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246960229 1059203255 /nfs/dbraw/zinc/20/32/55/1059203255.db2.gz GKYDSEQKWUZCAB-UXHICEINSA-N 2 2 317.521 4.385 20 0 DIADLP CC[C@H]1CC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961629 1059204202 /nfs/dbraw/zinc/20/42/02/1059204202.db2.gz GZOJYHMNIFAECL-GOEBONIOSA-N 2 2 322.443 4.098 20 0 DIADLP CC[C@H]1CC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246961629 1059204222 /nfs/dbraw/zinc/20/42/22/1059204222.db2.gz GZOJYHMNIFAECL-GOEBONIOSA-N 2 2 322.443 4.098 20 0 DIADLP CCCCC[C@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965726 1059211879 /nfs/dbraw/zinc/21/18/79/1059211879.db2.gz RBEAFSYKNBZQJG-HNNXBMFYSA-N 2 2 324.459 4.488 20 0 DIADLP CCCCC[C@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965726 1059211896 /nfs/dbraw/zinc/21/18/96/1059211896.db2.gz RBEAFSYKNBZQJG-HNNXBMFYSA-N 2 2 324.459 4.488 20 0 DIADLP [NH3+]CCCCCc1[nH+]c2ccc(F)c(F)c2n1C1CCCCC1 ZINC001247040571 1059258531 /nfs/dbraw/zinc/25/85/31/1059258531.db2.gz AGNBTPNNKUJALT-UHFFFAOYSA-N 2 2 321.415 4.491 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001559567415 1059392499 /nfs/dbraw/zinc/39/24/99/1059392499.db2.gz CHKZGEOKDFTCNW-UONOGXRCSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001559567415 1059392520 /nfs/dbraw/zinc/39/25/20/1059392520.db2.gz CHKZGEOKDFTCNW-UONOGXRCSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001559567415 1059392547 /nfs/dbraw/zinc/39/25/47/1059392547.db2.gz CHKZGEOKDFTCNW-UONOGXRCSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@@H](c1cccc(Cl)c1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001559567415 1059392566 /nfs/dbraw/zinc/39/25/66/1059392566.db2.gz CHKZGEOKDFTCNW-UONOGXRCSA-N 2 2 312.860 4.346 20 0 DIADLP C[C@H]1CCC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC001559744717 1059577783 /nfs/dbraw/zinc/57/77/83/1059577783.db2.gz VAMNPADGIXLODW-PKOBYXMFSA-N 2 2 303.494 4.202 20 0 DIADLP C[NH+](C)CCCOc1ccc(Nc2[nH+]ccc3ccccc32)cc1 ZINC001248404197 1059814311 /nfs/dbraw/zinc/81/43/11/1059814311.db2.gz ZHFGIZPKHHWDMS-UHFFFAOYSA-N 2 2 321.424 4.309 20 0 DIADLP C[NH+](C)CCCOc1ccc(Nc2cccc(C3CC3)[nH+]2)cc1 ZINC001248411532 1059818946 /nfs/dbraw/zinc/81/89/46/1059818946.db2.gz YUTTZJLWJHBXSG-UHFFFAOYSA-N 2 2 311.429 4.033 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001560044092 1059856822 /nfs/dbraw/zinc/85/68/22/1059856822.db2.gz UIOMFSDWRORESG-KZNAEPCWSA-N 2 2 306.881 4.065 20 0 DIADLP CC1(C)CCCC[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560098568 1059906790 /nfs/dbraw/zinc/90/67/90/1059906790.db2.gz KTQBABJVDHXZFS-OALUTQOASA-N 2 2 311.473 4.430 20 0 DIADLP Clc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001560099057 1059906870 /nfs/dbraw/zinc/90/68/70/1059906870.db2.gz ZYMVFBBIFNAMDY-OAHLLOKOSA-N 2 2 317.845 4.129 20 0 DIADLP Cc1cc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cs1 ZINC001248803172 1059988181 /nfs/dbraw/zinc/98/81/81/1059988181.db2.gz JOXSVFXGJPVHMR-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP Cc1cc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC001248803172 1059988195 /nfs/dbraw/zinc/98/81/95/1059988195.db2.gz JOXSVFXGJPVHMR-UHFFFAOYSA-N 2 2 314.498 4.153 20 0 DIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246358 1060011225 /nfs/dbraw/zinc/01/12/25/1060011225.db2.gz YCCMVMQZVZMUBH-FXAWDEMLSA-N 2 2 316.533 4.237 20 0 DIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560246358 1060011244 /nfs/dbraw/zinc/01/12/44/1060011244.db2.gz YCCMVMQZVZMUBH-FXAWDEMLSA-N 2 2 316.533 4.237 20 0 DIADLP C[C@H](CCc1ccccc1)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001560292419 1060074832 /nfs/dbraw/zinc/07/48/32/1060074832.db2.gz KEPQEZAWVBVGNQ-GOSISDBHSA-N 2 2 319.452 4.231 20 0 DIADLP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001560318498 1060104611 /nfs/dbraw/zinc/10/46/11/1060104611.db2.gz PFBXDXHOVHCUAW-CABCVRRESA-N 2 2 303.475 4.238 20 0 DIADLP c1cn(-c2csc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC001560333248 1060118234 /nfs/dbraw/zinc/11/82/34/1060118234.db2.gz OAOUGHNLRHSCBE-IBGZPJMESA-N 2 2 323.465 4.045 20 0 DIADLP CC1(C)CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC001560332547 1060118585 /nfs/dbraw/zinc/11/85/85/1060118585.db2.gz OJJFQMYEIXOSLL-KRWDZBQOSA-N 2 2 324.578 4.297 20 0 DIADLP C[N@H+](Cc1sc(Cl)c2ccccc21)C1CC[NH+](C)CC1 ZINC001249044179 1060132273 /nfs/dbraw/zinc/13/22/73/1060132273.db2.gz PZMWFMNZQRUQPO-UHFFFAOYSA-N 2 2 308.878 4.081 20 0 DIADLP C[N@@H+](Cc1sc(Cl)c2ccccc21)C1CC[NH+](C)CC1 ZINC001249044179 1060132281 /nfs/dbraw/zinc/13/22/81/1060132281.db2.gz PZMWFMNZQRUQPO-UHFFFAOYSA-N 2 2 308.878 4.081 20 0 DIADLP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC001560384930 1060172643 /nfs/dbraw/zinc/17/26/43/1060172643.db2.gz BZDHWOBWEGUANG-FQEVSTJZSA-N 2 2 317.436 4.385 20 0 DIADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(F)ccc1F ZINC001560445859 1060236332 /nfs/dbraw/zinc/23/63/32/1060236332.db2.gz MGIRJWDFXNGMGD-UHFFFAOYSA-N 2 2 310.432 4.099 20 0 DIADLP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC001560464011 1060255528 /nfs/dbraw/zinc/25/55/28/1060255528.db2.gz NOFQCRKUKZQMKY-LJQANCHMSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC001560464011 1060255546 /nfs/dbraw/zinc/25/55/46/1060255546.db2.gz NOFQCRKUKZQMKY-LJQANCHMSA-N 2 2 304.522 4.486 20 0 DIADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001560483895 1060274388 /nfs/dbraw/zinc/27/43/88/1060274388.db2.gz PRNKQJMBOMXDQX-BBRMVZONSA-N 2 2 317.864 4.440 20 0 DIADLP CC1(C)CCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001560506655 1060303877 /nfs/dbraw/zinc/30/38/77/1060303877.db2.gz LPPMXQBSPIIGGU-CQSZACIVSA-N 2 2 303.475 4.240 20 0 DIADLP CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001560529414 1060329346 /nfs/dbraw/zinc/32/93/46/1060329346.db2.gz DKQRDEQUNRERTB-IBGZPJMESA-N 2 2 323.415 4.122 20 0 DIADLP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001560560714 1060369234 /nfs/dbraw/zinc/36/92/34/1060369234.db2.gz PZOAOQCOLYISOC-UHFFFAOYSA-N 2 2 309.413 4.053 20 0 DIADLP Cc1cc(CNc2ccc(C[NH+]3CCCCC3)cc2)cc(C)[nH+]1 ZINC001560568747 1060379001 /nfs/dbraw/zinc/37/90/01/1060379001.db2.gz YVULBXNGZCWEBY-UHFFFAOYSA-N 2 2 309.457 4.296 20 0 DIADLP CCC[C@@H](C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572786 1060384887 /nfs/dbraw/zinc/38/48/87/1060384887.db2.gz CICXJRJOMZSPHC-MJGOQNOKSA-N 2 2 302.506 4.455 20 0 DIADLP CCC[C@@H](C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001560572786 1060384902 /nfs/dbraw/zinc/38/49/02/1060384902.db2.gz CICXJRJOMZSPHC-MJGOQNOKSA-N 2 2 302.506 4.455 20 0 DIADLP CC(C)COc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001560668814 1060497413 /nfs/dbraw/zinc/49/74/13/1060497413.db2.gz VZGFYTOGYAQCHP-IBGZPJMESA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)COc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001560668814 1060497432 /nfs/dbraw/zinc/49/74/32/1060497432.db2.gz VZGFYTOGYAQCHP-IBGZPJMESA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)COc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001560668814 1060497453 /nfs/dbraw/zinc/49/74/53/1060497453.db2.gz VZGFYTOGYAQCHP-IBGZPJMESA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)COc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001560668814 1060497468 /nfs/dbraw/zinc/49/74/68/1060497468.db2.gz VZGFYTOGYAQCHP-IBGZPJMESA-N 2 2 318.505 4.028 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001560806634 1060666225 /nfs/dbraw/zinc/66/62/25/1060666225.db2.gz XRMHWHIIEIQGFB-HKUYNNGSSA-N 2 2 316.533 4.453 20 0 DIADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001560806634 1060666232 /nfs/dbraw/zinc/66/62/32/1060666232.db2.gz XRMHWHIIEIQGFB-HKUYNNGSSA-N 2 2 316.533 4.453 20 0 DIADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001560805411 1060666266 /nfs/dbraw/zinc/66/62/66/1060666266.db2.gz FNSTUBCSJMOIPC-OALUTQOASA-N 2 2 302.506 4.026 20 0 DIADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001560805411 1060666274 /nfs/dbraw/zinc/66/62/74/1060666274.db2.gz FNSTUBCSJMOIPC-OALUTQOASA-N 2 2 302.506 4.026 20 0 DIADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC001560837343 1060693167 /nfs/dbraw/zinc/69/31/67/1060693167.db2.gz OQNIAKBAUSTLQX-RBOXIYTFSA-N 2 2 315.288 4.169 20 0 DIADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001560843948 1060699373 /nfs/dbraw/zinc/69/93/73/1060699373.db2.gz OQBXWYFOCHSNNH-RBUKOAKNSA-N 2 2 300.490 4.065 20 0 DIADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001560843948 1060699380 /nfs/dbraw/zinc/69/93/80/1060699380.db2.gz OQBXWYFOCHSNNH-RBUKOAKNSA-N 2 2 300.490 4.065 20 0 DIADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC001560882274 1060743779 /nfs/dbraw/zinc/74/37/79/1060743779.db2.gz GRUISECYONONRA-AEFFLSMTSA-N 2 2 320.908 4.440 20 0 DIADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC001560882274 1060743790 /nfs/dbraw/zinc/74/37/90/1060743790.db2.gz GRUISECYONONRA-AEFFLSMTSA-N 2 2 320.908 4.440 20 0 DIADLP Cc1cc[nH+]c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001560922272 1060786314 /nfs/dbraw/zinc/78/63/14/1060786314.db2.gz PFNILBGYQOIHDT-IBGZPJMESA-N 2 2 321.468 4.344 20 0 DIADLP Cc1cc[nH+]c(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001560922272 1060786324 /nfs/dbraw/zinc/78/63/24/1060786324.db2.gz PFNILBGYQOIHDT-IBGZPJMESA-N 2 2 321.468 4.344 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001561039374 1060892025 /nfs/dbraw/zinc/89/20/25/1060892025.db2.gz QDMTZZPIRYLJIW-VKJFTORMSA-N 2 2 310.913 4.398 20 0 DIADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001462158167 1060977058 /nfs/dbraw/zinc/97/70/58/1060977058.db2.gz PPNJKFTWVVWXIA-UXHICEINSA-N 2 2 314.517 4.343 20 0 DIADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001462158167 1060977078 /nfs/dbraw/zinc/97/70/78/1060977078.db2.gz PPNJKFTWVVWXIA-UXHICEINSA-N 2 2 314.517 4.343 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001462158168 1060980567 /nfs/dbraw/zinc/98/05/67/1060980567.db2.gz PPNJKFTWVVWXIA-VQTJNVASSA-N 2 2 314.517 4.343 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001462158168 1060980591 /nfs/dbraw/zinc/98/05/91/1060980591.db2.gz PPNJKFTWVVWXIA-VQTJNVASSA-N 2 2 314.517 4.343 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001462158975 1060982240 /nfs/dbraw/zinc/98/22/40/1060982240.db2.gz UMDKBCGYBHUEGQ-IBGZPJMESA-N 2 2 302.506 4.109 20 0 DIADLP CC[C@@H](CCc1ccccc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001462158975 1060982263 /nfs/dbraw/zinc/98/22/63/1060982263.db2.gz UMDKBCGYBHUEGQ-IBGZPJMESA-N 2 2 302.506 4.109 20 0 DIADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001462273664 1061069643 /nfs/dbraw/zinc/06/96/43/1061069643.db2.gz JLKXCMKDVXPGAW-XJKSGUPXSA-N 2 2 303.837 4.050 20 0 DIADLP CCCCC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1 ZINC001462408059 1061154329 /nfs/dbraw/zinc/15/43/29/1061154329.db2.gz LRNVAPOOHLQHTL-QHAWAJNXSA-N 2 2 314.517 4.457 20 0 DIADLP CCCCC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Cc1ccccc1 ZINC001462408059 1061154335 /nfs/dbraw/zinc/15/43/35/1061154335.db2.gz LRNVAPOOHLQHTL-QHAWAJNXSA-N 2 2 314.517 4.457 20 0 DIADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462431965 1061169698 /nfs/dbraw/zinc/16/96/98/1061169698.db2.gz WNACMWFLEPMXAJ-NVXWUHKLSA-N 2 2 320.546 4.192 20 0 DIADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462431965 1061169706 /nfs/dbraw/zinc/16/97/06/1061169706.db2.gz WNACMWFLEPMXAJ-NVXWUHKLSA-N 2 2 320.546 4.192 20 0 DIADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(F)c2ccccc21 ZINC001473519821 1061214394 /nfs/dbraw/zinc/21/43/94/1061214394.db2.gz SNRYPCFMDMNALP-OAHLLOKOSA-N 2 2 300.421 4.115 20 0 DIADLP CC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001462622922 1061304914 /nfs/dbraw/zinc/30/49/14/1061304914.db2.gz IGGHXLIAIHDRQT-POHXSPKXSA-N 2 2 320.480 4.043 20 0 DIADLP CC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001462622922 1061304921 /nfs/dbraw/zinc/30/49/21/1061304921.db2.gz IGGHXLIAIHDRQT-POHXSPKXSA-N 2 2 320.480 4.043 20 0 DIADLP CC(C)C1(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001462671182 1061327857 /nfs/dbraw/zinc/32/78/57/1061327857.db2.gz TXALWVWLJVADSE-MRXNPFEDSA-N 2 2 303.494 4.254 20 0 DIADLP CC(C)C1(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001462671182 1061327874 /nfs/dbraw/zinc/32/78/74/1061327874.db2.gz TXALWVWLJVADSE-MRXNPFEDSA-N 2 2 303.494 4.254 20 0 DIADLP CC(C)C1(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001462671173 1061329613 /nfs/dbraw/zinc/32/96/13/1061329613.db2.gz TXALWVWLJVADSE-INIZCTEOSA-N 2 2 303.494 4.254 20 0 DIADLP CC(C)C1(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001462671173 1061329629 /nfs/dbraw/zinc/32/96/29/1061329629.db2.gz TXALWVWLJVADSE-INIZCTEOSA-N 2 2 303.494 4.254 20 0 DIADLP CSc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001473748322 1061390297 /nfs/dbraw/zinc/39/02/97/1061390297.db2.gz XIRAZKXLYBYYHI-GOSISDBHSA-N 2 2 323.465 4.136 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001473898238 1061453427 /nfs/dbraw/zinc/45/34/27/1061453427.db2.gz VODBPAPCFXTEKO-QGZVFWFLSA-N 2 2 303.494 4.398 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001473898238 1061453435 /nfs/dbraw/zinc/45/34/35/1061453435.db2.gz VODBPAPCFXTEKO-QGZVFWFLSA-N 2 2 303.494 4.398 20 0 DIADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896254 1061453626 /nfs/dbraw/zinc/45/36/26/1061453626.db2.gz ALMAOXIGPBMWEL-IAGOWNOFSA-N 2 2 305.510 4.500 20 0 DIADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896254 1061453631 /nfs/dbraw/zinc/45/36/31/1061453631.db2.gz ALMAOXIGPBMWEL-IAGOWNOFSA-N 2 2 305.510 4.500 20 0 DIADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001473910876 1061458776 /nfs/dbraw/zinc/45/87/76/1061458776.db2.gz CJVXKWSKUIAVTH-UHFFFAOYSA-N 2 2 314.473 4.285 20 0 DIADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001474031309 1061573588 /nfs/dbraw/zinc/57/35/88/1061573588.db2.gz XRMIYXVJVGQAAS-ZULIPRJHSA-N 2 2 300.490 4.033 20 0 DIADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001474031309 1061573608 /nfs/dbraw/zinc/57/36/08/1061573608.db2.gz XRMIYXVJVGQAAS-ZULIPRJHSA-N 2 2 300.490 4.033 20 0 DIADLP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC001474100796 1061647604 /nfs/dbraw/zinc/64/76/04/1061647604.db2.gz ZRWUJXHVCYGORD-OAHLLOKOSA-N 2 2 309.388 4.171 20 0 DIADLP c1cn(-c2csc(C[NH2+]CC[C@H]3CCc4ccccc43)c2)c[nH+]1 ZINC001474163011 1061707689 /nfs/dbraw/zinc/70/76/89/1061707689.db2.gz DWOYSHDRDLUZBR-MRXNPFEDSA-N 2 2 323.465 4.144 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001474195473 1061744896 /nfs/dbraw/zinc/74/48/96/1061744896.db2.gz WSWGXIGDAPZAQX-NHCUHLMSSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C2CCCC2)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001474195473 1061744928 /nfs/dbraw/zinc/74/49/28/1061744928.db2.gz WSWGXIGDAPZAQX-NHCUHLMSSA-N 2 2 312.501 4.451 20 0 DIADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(CC2CCC2)c1 ZINC001474195441 1061745609 /nfs/dbraw/zinc/74/56/09/1061745609.db2.gz WDGBYNNXILXKND-SFTDATJTSA-N 2 2 312.501 4.136 20 0 DIADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(CC2CCC2)c1 ZINC001474195441 1061745635 /nfs/dbraw/zinc/74/56/35/1061745635.db2.gz WDGBYNNXILXKND-SFTDATJTSA-N 2 2 312.501 4.136 20 0 DIADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001474200305 1061752284 /nfs/dbraw/zinc/75/22/84/1061752284.db2.gz LGVDTCYAXMSSNX-GBESFXJTSA-N 2 2 314.517 4.454 20 0 DIADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001474200305 1061752304 /nfs/dbraw/zinc/75/23/04/1061752304.db2.gz LGVDTCYAXMSSNX-GBESFXJTSA-N 2 2 314.517 4.454 20 0 DIADLP C[C@]1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213338 1061769316 /nfs/dbraw/zinc/76/93/16/1061769316.db2.gz XUGPKAMFIYTAPM-WMZOPIPTSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@]1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1(F)F ZINC001474213338 1061769325 /nfs/dbraw/zinc/76/93/25/1061769325.db2.gz XUGPKAMFIYTAPM-WMZOPIPTSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001474218553 1061777986 /nfs/dbraw/zinc/77/79/86/1061777986.db2.gz AOYWIXGUVDXEBQ-BHIYHBOVSA-N 2 2 311.473 4.120 20 0 DIADLP FC1(F)CCC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001474294323 1061863685 /nfs/dbraw/zinc/86/36/85/1061863685.db2.gz MLUMUXUHQZSXLJ-UHFFFAOYSA-N 2 2 319.399 4.178 20 0 DIADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCC2(CC2)CC1 ZINC001254441730 1062103469 /nfs/dbraw/zinc/10/34/69/1062103469.db2.gz WDIBTNWFYPBCNH-UHFFFAOYSA-N 2 2 312.501 4.306 20 0 DIADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCC2(CC2)CC1 ZINC001254441730 1062103478 /nfs/dbraw/zinc/10/34/78/1062103478.db2.gz WDIBTNWFYPBCNH-UHFFFAOYSA-N 2 2 312.501 4.306 20 0 DIADLP CSCCCCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474462452 1062141409 /nfs/dbraw/zinc/14/14/09/1062141409.db2.gz CJVLEGIVXFBNHA-PKOBYXMFSA-N 2 2 320.546 4.020 20 0 DIADLP CSCCCCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474462452 1062141416 /nfs/dbraw/zinc/14/14/16/1062141416.db2.gz CJVLEGIVXFBNHA-PKOBYXMFSA-N 2 2 320.546 4.020 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH+](C)CC1 ZINC001254532373 1062165325 /nfs/dbraw/zinc/16/53/25/1062165325.db2.gz RXHNZPOPBPHVSC-OAHLLOKOSA-N 2 2 315.288 4.300 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH+](C)CC1 ZINC001254532373 1062165340 /nfs/dbraw/zinc/16/53/40/1062165340.db2.gz RXHNZPOPBPHVSC-OAHLLOKOSA-N 2 2 315.288 4.300 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532373 1062165357 /nfs/dbraw/zinc/16/53/57/1062165357.db2.gz RXHNZPOPBPHVSC-OAHLLOKOSA-N 2 2 315.288 4.300 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532373 1062165367 /nfs/dbraw/zinc/16/53/67/1062165367.db2.gz RXHNZPOPBPHVSC-OAHLLOKOSA-N 2 2 315.288 4.300 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001474604856 1062317673 /nfs/dbraw/zinc/31/76/73/1062317673.db2.gz OEFVBYZPUZETHU-ROUUACIJSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001474604856 1062317695 /nfs/dbraw/zinc/31/76/95/1062317695.db2.gz OEFVBYZPUZETHU-ROUUACIJSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001474604857 1062318539 /nfs/dbraw/zinc/31/85/39/1062318539.db2.gz OEFVBYZPUZETHU-ZWKOTPCHSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001474604857 1062318561 /nfs/dbraw/zinc/31/85/61/1062318561.db2.gz OEFVBYZPUZETHU-ZWKOTPCHSA-N 2 2 306.881 4.063 20 0 DIADLP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC001459711478 1062326306 /nfs/dbraw/zinc/32/63/06/1062326306.db2.gz WZWRTZWYODEUKF-GOSISDBHSA-N 2 2 311.473 4.331 20 0 DIADLP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC001459711478 1062326326 /nfs/dbraw/zinc/32/63/26/1062326326.db2.gz WZWRTZWYODEUKF-GOSISDBHSA-N 2 2 311.473 4.331 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001474630389 1062353352 /nfs/dbraw/zinc/35/33/52/1062353352.db2.gz KPCYFEGGJWQTHS-QHAWAJNXSA-N 2 2 312.501 4.319 20 0 DIADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001474630389 1062353374 /nfs/dbraw/zinc/35/33/74/1062353374.db2.gz KPCYFEGGJWQTHS-QHAWAJNXSA-N 2 2 312.501 4.319 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2cc(Cl)cc3ccccc32)CC1 ZINC001459751839 1062363305 /nfs/dbraw/zinc/36/33/05/1062363305.db2.gz BFRCGUXTCPCKDV-UHFFFAOYSA-N 2 2 316.876 4.456 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474651664 1062380246 /nfs/dbraw/zinc/38/02/46/1062380246.db2.gz WVLHRIAHXGINGF-HLIPFELVSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474651664 1062380266 /nfs/dbraw/zinc/38/02/66/1062380266.db2.gz WVLHRIAHXGINGF-HLIPFELVSA-N 2 2 300.490 4.065 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658016 1062390078 /nfs/dbraw/zinc/39/00/78/1062390078.db2.gz BJGAIOMKQYQVAP-SESVDKBCSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658016 1062390098 /nfs/dbraw/zinc/39/00/98/1062390098.db2.gz BJGAIOMKQYQVAP-SESVDKBCSA-N 2 2 312.501 4.004 20 0 DIADLP C[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001474682237 1062413560 /nfs/dbraw/zinc/41/35/60/1062413560.db2.gz IRJIRCVDZNBQID-XLIONFOSSA-N 2 2 305.425 4.018 20 0 DIADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474683298 1062416364 /nfs/dbraw/zinc/41/63/64/1062416364.db2.gz XULSKHMRVZWEPG-RTWAWAEBSA-N 2 2 319.452 4.235 20 0 DIADLP Cc1c(Cl)cccc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001474698130 1062426395 /nfs/dbraw/zinc/42/63/95/1062426395.db2.gz MCPGWSNKTWAZDY-UHFFFAOYSA-N 2 2 320.908 4.489 20 0 DIADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3C4CCCC3CCC4)CC2)cc1 ZINC001255409489 1062437540 /nfs/dbraw/zinc/43/75/40/1062437540.db2.gz YZTBCGSDDKYJKW-XVAXZDLZSA-N 2 2 312.501 4.448 20 0 DIADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3C4CCCC3CCC4)CC2)cc1 ZINC001255409489 1062437547 /nfs/dbraw/zinc/43/75/47/1062437547.db2.gz YZTBCGSDDKYJKW-XVAXZDLZSA-N 2 2 312.501 4.448 20 0 DIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001459885648 1062473085 /nfs/dbraw/zinc/47/30/85/1062473085.db2.gz WUILQPARLZLPKN-GOSISDBHSA-N 2 2 303.494 4.035 20 0 DIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001459885648 1062473100 /nfs/dbraw/zinc/47/31/00/1062473100.db2.gz WUILQPARLZLPKN-GOSISDBHSA-N 2 2 303.494 4.035 20 0 DIADLP CC[NH+](CC)C1CC[NH+]([C@@H](C)CSc2ccc(F)cc2)CC1 ZINC001255744935 1062563673 /nfs/dbraw/zinc/56/36/73/1062563673.db2.gz OLPJTDIPNIVDNJ-HNNXBMFYSA-N 2 2 324.509 4.113 20 0 DIADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC001255757639 1062580576 /nfs/dbraw/zinc/58/05/76/1062580576.db2.gz YVTRDUYYTBMDFO-DLBZAZTESA-N 2 2 318.530 4.082 20 0 DIADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC001255757639 1062580587 /nfs/dbraw/zinc/58/05/87/1062580587.db2.gz YVTRDUYYTBMDFO-DLBZAZTESA-N 2 2 318.530 4.082 20 0 DIADLP Cc1ccc(C[C@H](C)[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001255795872 1062612565 /nfs/dbraw/zinc/61/25/65/1062612565.db2.gz LEARYFNVCCXRKK-SFHVURJKSA-N 2 2 314.517 4.265 20 0 DIADLP Cc1ccc(C[C@H](C)[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001255795872 1062612579 /nfs/dbraw/zinc/61/25/79/1062612579.db2.gz LEARYFNVCCXRKK-SFHVURJKSA-N 2 2 314.517 4.265 20 0 DIADLP C[C@H](Cc1ccccc1F)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255858284 1062636081 /nfs/dbraw/zinc/63/60/81/1062636081.db2.gz WXXGPOFOXKMABO-MRXNPFEDSA-N 2 2 318.480 4.096 20 0 DIADLP C[C@H](Cc1ccccc1F)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255858284 1062636088 /nfs/dbraw/zinc/63/60/88/1062636088.db2.gz WXXGPOFOXKMABO-MRXNPFEDSA-N 2 2 318.480 4.096 20 0 DIADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC001255882629 1062655582 /nfs/dbraw/zinc/65/55/82/1062655582.db2.gz FOAPVJIQKPCYKX-UHFFFAOYSA-N 2 2 318.480 4.411 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001255968240 1062673046 /nfs/dbraw/zinc/67/30/46/1062673046.db2.gz WSMVYBDCWIAGPT-KSSFIOAISA-N 2 2 310.432 4.222 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001255968240 1062673067 /nfs/dbraw/zinc/67/30/67/1062673067.db2.gz WSMVYBDCWIAGPT-KSSFIOAISA-N 2 2 310.432 4.222 20 0 DIADLP Clc1ccccc1[C@@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076070 1062698938 /nfs/dbraw/zinc/69/89/38/1062698938.db2.gz ATFBIVXJSCFEAB-SFHVURJKSA-N 2 2 304.865 4.104 20 0 DIADLP Clc1ccccc1[C@@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076070 1062698944 /nfs/dbraw/zinc/69/89/44/1062698944.db2.gz ATFBIVXJSCFEAB-SFHVURJKSA-N 2 2 304.865 4.104 20 0 DIADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256108394 1062706734 /nfs/dbraw/zinc/70/67/34/1062706734.db2.gz AXCUNSXVECNYMJ-UFYCRDLUSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256108394 1062706757 /nfs/dbraw/zinc/70/67/57/1062706757.db2.gz AXCUNSXVECNYMJ-UFYCRDLUSA-N 2 2 300.490 4.033 20 0 DIADLP c1cn2cc(C[NH2+][C@H]3CCC[C@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001256113518 1062712854 /nfs/dbraw/zinc/71/28/54/1062712854.db2.gz MMKYPNLRKRNLQH-OALUTQOASA-N 2 2 305.425 4.150 20 0 DIADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256117117 1062717609 /nfs/dbraw/zinc/71/76/09/1062717609.db2.gz FRWUAPXDHGVZSH-AZUAARDMSA-N 2 2 300.490 4.129 20 0 DIADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256117117 1062717630 /nfs/dbraw/zinc/71/76/30/1062717630.db2.gz FRWUAPXDHGVZSH-AZUAARDMSA-N 2 2 300.490 4.129 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001460266884 1062743222 /nfs/dbraw/zinc/74/32/22/1062743222.db2.gz TZMCGPCJJRLCSX-IBGZPJMESA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001460266884 1062743234 /nfs/dbraw/zinc/74/32/34/1062743234.db2.gz TZMCGPCJJRLCSX-IBGZPJMESA-N 2 2 309.457 4.193 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256527441 1062844423 /nfs/dbraw/zinc/84/44/23/1062844423.db2.gz RVZZCZURUHSNRH-WSTZPKSXSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256527441 1062844444 /nfs/dbraw/zinc/84/44/44/1062844444.db2.gz RVZZCZURUHSNRH-WSTZPKSXSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2C3CCCC2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552275 1062872426 /nfs/dbraw/zinc/87/24/26/1062872426.db2.gz ATOPOZYITQVMKY-RLHVNXBHSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2C3CCCC2CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552275 1062872448 /nfs/dbraw/zinc/87/24/48/1062872448.db2.gz ATOPOZYITQVMKY-RLHVNXBHSA-N 2 2 312.501 4.447 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2Cc3cccc(F)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555635 1062873507 /nfs/dbraw/zinc/87/35/07/1062873507.db2.gz VHJZCQZZNTWZRS-VQIMIIECSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@H]([NH+]2Cc3cccc(F)c3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555635 1062873520 /nfs/dbraw/zinc/87/35/20/1062873520.db2.gz VHJZCQZZNTWZRS-VQIMIIECSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555635 1062873541 /nfs/dbraw/zinc/87/35/41/1062873541.db2.gz VHJZCQZZNTWZRS-VQIMIIECSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH+]1Cc1ccccc1 ZINC001256555635 1062873545 /nfs/dbraw/zinc/87/35/45/1062873545.db2.gz VHJZCQZZNTWZRS-VQIMIIECSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555421 1062879534 /nfs/dbraw/zinc/87/95/34/1062879534.db2.gz UXDGKVKHBMNBIG-IERDGZPVSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555421 1062879558 /nfs/dbraw/zinc/87/95/58/1062879558.db2.gz UXDGKVKHBMNBIG-IERDGZPVSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555421 1062879579 /nfs/dbraw/zinc/87/95/79/1062879579.db2.gz UXDGKVKHBMNBIG-IERDGZPVSA-N 2 2 324.443 4.194 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555421 1062879597 /nfs/dbraw/zinc/87/95/97/1062879597.db2.gz UXDGKVKHBMNBIG-IERDGZPVSA-N 2 2 324.443 4.194 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001256567559 1062889953 /nfs/dbraw/zinc/88/99/53/1062889953.db2.gz WDORINXINFANSB-MRXNPFEDSA-N 2 2 321.896 4.039 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001256565814 1062890884 /nfs/dbraw/zinc/89/08/84/1062890884.db2.gz AUSYZIRFLPZEHY-KRWDZBQOSA-N 2 2 321.896 4.039 20 0 DIADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460663425 1062968208 /nfs/dbraw/zinc/96/82/08/1062968208.db2.gz MCXFYQPFLIQPII-CQSZACIVSA-N 2 2 309.457 4.081 20 0 DIADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460663425 1062968223 /nfs/dbraw/zinc/96/82/23/1062968223.db2.gz MCXFYQPFLIQPII-CQSZACIVSA-N 2 2 309.457 4.081 20 0 DIADLP c1cn(C[C@@H]([NH2+]CCSc2ccccc2)c2ccccc2)c[nH+]1 ZINC001460696309 1062990915 /nfs/dbraw/zinc/99/09/15/1062990915.db2.gz RWDGYPLVMPTADM-LJQANCHMSA-N 2 2 323.465 4.006 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC001460745784 1063036101 /nfs/dbraw/zinc/03/61/01/1063036101.db2.gz GNRFQYFNLDOUFQ-RBUKOAKNSA-N 2 2 316.464 4.022 20 0 DIADLP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC001460745791 1063037349 /nfs/dbraw/zinc/03/73/49/1063037349.db2.gz GNRFQYFNLDOUFQ-RTBURBONSA-N 2 2 316.464 4.022 20 0 DIADLP CC(C)[PH+](CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)C ZINC001256908780 1063042691 /nfs/dbraw/zinc/04/26/91/1063042691.db2.gz NTVDEUXSYUOPTH-KRWDZBQOSA-N 3 2 312.482 4.282 20 0 DIADLP CC(C)[PH+](CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C(C)C ZINC001256908780 1063042710 /nfs/dbraw/zinc/04/27/10/1063042710.db2.gz NTVDEUXSYUOPTH-KRWDZBQOSA-N 3 2 312.482 4.282 20 0 DIADLP CC(C)[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC001257211862 1063145134 /nfs/dbraw/zinc/14/51/34/1063145134.db2.gz PDFLUZDWDTXCOP-UHFFFAOYSA-N 2 2 306.881 4.182 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001460977327 1063165161 /nfs/dbraw/zinc/16/51/61/1063165161.db2.gz XUQIJYQRSQBZDT-GOSISDBHSA-N 2 2 311.473 4.060 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001460977327 1063165166 /nfs/dbraw/zinc/16/51/66/1063165166.db2.gz XUQIJYQRSQBZDT-GOSISDBHSA-N 2 2 311.473 4.060 20 0 DIADLP CCC[C@@H](CC)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001257271406 1063172769 /nfs/dbraw/zinc/17/27/69/1063172769.db2.gz RHZITPQLICIKTB-QGZVFWFLSA-N 2 2 306.469 4.301 20 0 DIADLP CCC[C@@H](CC)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001257271406 1063172793 /nfs/dbraw/zinc/17/27/93/1063172793.db2.gz RHZITPQLICIKTB-QGZVFWFLSA-N 2 2 306.469 4.301 20 0 DIADLP CC[NH+](CC)CCC[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC001461000243 1063175376 /nfs/dbraw/zinc/17/53/76/1063175376.db2.gz AZVMOYKKCSCRNP-UHFFFAOYSA-N 2 2 319.880 4.018 20 0 DIADLP CCC[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001257319940 1063203973 /nfs/dbraw/zinc/20/39/73/1063203973.db2.gz CQQBRZFDBRLXDQ-CQSZACIVSA-N 2 2 309.413 4.182 20 0 DIADLP CCCC(CCC)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257329196 1063211326 /nfs/dbraw/zinc/21/13/26/1063211326.db2.gz UXHWAYYMYYFKCL-UHFFFAOYSA-N 2 2 318.505 4.218 20 0 DIADLP CCCC(CCC)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337153 1063218106 /nfs/dbraw/zinc/21/81/06/1063218106.db2.gz RYHNAZBNQFEPNW-RDJZCZTQSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337153 1063218130 /nfs/dbraw/zinc/21/81/30/1063218130.db2.gz RYHNAZBNQFEPNW-RDJZCZTQSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257337153 1063218149 /nfs/dbraw/zinc/21/81/49/1063218149.db2.gz RYHNAZBNQFEPNW-RDJZCZTQSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257337153 1063218166 /nfs/dbraw/zinc/21/81/66/1063218166.db2.gz RYHNAZBNQFEPNW-RDJZCZTQSA-N 2 2 321.534 4.008 20 0 DIADLP Fc1cc(C[NH2+]Cc2ccccc2C2CC2)ccc1-n1cc[nH+]c1 ZINC001461092310 1063248858 /nfs/dbraw/zinc/24/88/58/1063248858.db2.gz IBYYNCUJGJIKKP-UHFFFAOYSA-N 2 2 321.399 4.179 20 0 DIADLP CCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422569 1063270811 /nfs/dbraw/zinc/27/08/11/1063270811.db2.gz UNFNHYYXOPLRKF-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257422569 1063270820 /nfs/dbraw/zinc/27/08/20/1063270820.db2.gz UNFNHYYXOPLRKF-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257422569 1063270838 /nfs/dbraw/zinc/27/08/38/1063270838.db2.gz UNFNHYYXOPLRKF-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@H](CC)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257422569 1063270859 /nfs/dbraw/zinc/27/08/59/1063270859.db2.gz UNFNHYYXOPLRKF-ULQDDVLXSA-N 2 2 321.534 4.008 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC001257452618 1063284710 /nfs/dbraw/zinc/28/47/10/1063284710.db2.gz DLLQWVWJUWHALQ-UHFFFAOYSA-N 2 2 304.453 4.021 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC001257465926 1063286954 /nfs/dbraw/zinc/28/69/54/1063286954.db2.gz KLPWHZUJTLUZIP-UHFFFAOYSA-N 2 2 304.453 4.055 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC001257465926 1063286977 /nfs/dbraw/zinc/28/69/77/1063286977.db2.gz KLPWHZUJTLUZIP-UHFFFAOYSA-N 2 2 304.453 4.055 20 0 DIADLP CCCCCC(CCCCC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257550191 1063328641 /nfs/dbraw/zinc/32/86/41/1063328641.db2.gz LVNOUBFXWRBWOY-IBGZPJMESA-N 2 2 324.553 4.359 20 0 DIADLP CCCCCC(CCCCC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257550191 1063328656 /nfs/dbraw/zinc/32/86/56/1063328656.db2.gz LVNOUBFXWRBWOY-IBGZPJMESA-N 2 2 324.553 4.359 20 0 DIADLP CC(C)C[NH+]1CCC([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001258004133 1063459063 /nfs/dbraw/zinc/45/90/63/1063459063.db2.gz CNCPCXSGDIACIN-UHFFFAOYSA-N 2 2 308.897 4.285 20 0 DIADLP CC[N@H+](C1CCC(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001257999885 1063459460 /nfs/dbraw/zinc/45/94/60/1063459460.db2.gz QOQXEQUNGIIRFF-UHFFFAOYSA-N 2 2 300.490 4.129 20 0 DIADLP CC[N@@H+](C1CCC(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001257999885 1063459464 /nfs/dbraw/zinc/45/94/64/1063459464.db2.gz QOQXEQUNGIIRFF-UHFFFAOYSA-N 2 2 300.490 4.129 20 0 DIADLP CC(C)C[NH+]1CCC([N@H+](C)[C@H](C)c2ccccc2Cl)CC1 ZINC001258018963 1063466583 /nfs/dbraw/zinc/46/65/83/1063466583.db2.gz XSIBPUSMTATQSR-OAHLLOKOSA-N 2 2 308.897 4.453 20 0 DIADLP CC(C)C[NH+]1CCC([N@@H+](C)[C@H](C)c2ccccc2Cl)CC1 ZINC001258018963 1063466598 /nfs/dbraw/zinc/46/65/98/1063466598.db2.gz XSIBPUSMTATQSR-OAHLLOKOSA-N 2 2 308.897 4.453 20 0 DIADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC1 ZINC001258014975 1063468219 /nfs/dbraw/zinc/46/82/19/1063468219.db2.gz VMXGPCXBXXLTIT-LJQANCHMSA-N 2 2 322.443 4.222 20 0 DIADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC1 ZINC001258014975 1063468224 /nfs/dbraw/zinc/46/82/24/1063468224.db2.gz VMXGPCXBXXLTIT-LJQANCHMSA-N 2 2 322.443 4.222 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001461403711 1063474870 /nfs/dbraw/zinc/47/48/70/1063474870.db2.gz CUSQDPIPZKPRPV-INIZCTEOSA-N 2 2 317.436 4.212 20 0 DIADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001258059327 1063487497 /nfs/dbraw/zinc/48/74/97/1063487497.db2.gz ZCCQRFMNKLJHEW-SJORKVTESA-N 2 2 303.494 4.101 20 0 DIADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461547663 1063572424 /nfs/dbraw/zinc/57/24/24/1063572424.db2.gz GHKSQGZTQKSWMA-HUUCEWRRSA-N 2 2 303.475 4.240 20 0 DIADLP CC[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461547660 1063573030 /nfs/dbraw/zinc/57/30/30/1063573030.db2.gz GHKSQGZTQKSWMA-GJZGRUSLSA-N 2 2 303.475 4.240 20 0 DIADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CC[NH+]1CCCCC1 ZINC001258298556 1063595217 /nfs/dbraw/zinc/59/52/17/1063595217.db2.gz QCASPITURIXNAW-INIZCTEOSA-N 2 2 324.534 4.146 20 0 DIADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301767 1063597369 /nfs/dbraw/zinc/59/73/69/1063597369.db2.gz IKDRFAVECOCOJI-HOTGVXAUSA-N 2 2 324.534 4.142 20 0 DIADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301767 1063597387 /nfs/dbraw/zinc/59/73/87/1063597387.db2.gz IKDRFAVECOCOJI-HOTGVXAUSA-N 2 2 324.534 4.142 20 0 DIADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301765 1063599086 /nfs/dbraw/zinc/59/90/86/1063599086.db2.gz IKDRFAVECOCOJI-CVEARBPZSA-N 2 2 324.534 4.142 20 0 DIADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258301765 1063599095 /nfs/dbraw/zinc/59/90/95/1063599095.db2.gz IKDRFAVECOCOJI-CVEARBPZSA-N 2 2 324.534 4.142 20 0 DIADLP CSC(C)(C)C[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258329909 1063613578 /nfs/dbraw/zinc/61/35/78/1063613578.db2.gz NJUVNOVKJNTRFS-ZDUSSCGKSA-N 2 2 303.475 4.102 20 0 DIADLP CSC(C)(C)C[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258330609 1063615833 /nfs/dbraw/zinc/61/58/33/1063615833.db2.gz YZIHOGGLZZMMJK-ZDUSSCGKSA-N 2 2 303.475 4.102 20 0 DIADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001461665159 1063645317 /nfs/dbraw/zinc/64/53/17/1063645317.db2.gz AJYGVKHIBXDVTE-IBGZPJMESA-N 2 2 314.860 4.191 20 0 DIADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001461665159 1063645327 /nfs/dbraw/zinc/64/53/27/1063645327.db2.gz AJYGVKHIBXDVTE-IBGZPJMESA-N 2 2 314.860 4.191 20 0 DIADLP CC[C@@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001461788959 1063718196 /nfs/dbraw/zinc/71/81/96/1063718196.db2.gz HNLYUORXNBWGOQ-BVYCBKJFSA-N 2 2 322.496 4.290 20 0 DIADLP CC[C@@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001461788959 1063718208 /nfs/dbraw/zinc/71/82/08/1063718208.db2.gz HNLYUORXNBWGOQ-BVYCBKJFSA-N 2 2 322.496 4.290 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC001258686578 1063751872 /nfs/dbraw/zinc/75/18/72/1063751872.db2.gz ATRWHASYYAWWQP-SJLPKXTDSA-N 2 2 315.505 4.102 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC001258686574 1063752451 /nfs/dbraw/zinc/75/24/51/1063752451.db2.gz ATRWHASYYAWWQP-AEFFLSMTSA-N 2 2 315.505 4.102 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC(C)(C)C1 ZINC001258695253 1063757488 /nfs/dbraw/zinc/75/74/88/1063757488.db2.gz ZZGGRMDKZMTTNZ-JKSUJKDBSA-N 2 2 302.462 4.140 20 0 DIADLP CCOc1c(Cl)cccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001461918390 1063799789 /nfs/dbraw/zinc/79/97/89/1063799789.db2.gz ALENDFVCZCSGIM-INIZCTEOSA-N 2 2 324.896 4.045 20 0 DIADLP CCOc1c(Cl)cccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001461918390 1063799793 /nfs/dbraw/zinc/79/97/93/1063799793.db2.gz ALENDFVCZCSGIM-INIZCTEOSA-N 2 2 324.896 4.045 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001461918390 1063799803 /nfs/dbraw/zinc/79/98/03/1063799803.db2.gz ALENDFVCZCSGIM-INIZCTEOSA-N 2 2 324.896 4.045 20 0 DIADLP CCOc1c(Cl)cccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001461918390 1063799817 /nfs/dbraw/zinc/79/98/17/1063799817.db2.gz ALENDFVCZCSGIM-INIZCTEOSA-N 2 2 324.896 4.045 20 0 DIADLP CCCC[C@H](CCC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258756960 1063802854 /nfs/dbraw/zinc/80/28/54/1063802854.db2.gz CWEZTBBDCREBQO-SFHVURJKSA-N 2 2 303.494 4.247 20 0 DIADLP CCCC[C@H](CCC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258764012 1063809788 /nfs/dbraw/zinc/80/97/88/1063809788.db2.gz FFFDSFHIGCOINT-KRWDZBQOSA-N 2 2 303.494 4.307 20 0 DIADLP CC[C@@H](C)C[C@H](CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258782094 1063819263 /nfs/dbraw/zinc/81/92/63/1063819263.db2.gz KCCFZLHRLPCNOB-AEFFLSMTSA-N 2 2 303.494 4.102 20 0 DIADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC001258812326 1063842275 /nfs/dbraw/zinc/84/22/75/1063842275.db2.gz DQZRFCOJIQVIAM-BEFAXECRSA-N 2 2 318.480 4.267 20 0 DIADLP CC[C@H](Cc1ccccc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258853496 1063866439 /nfs/dbraw/zinc/86/64/39/1063866439.db2.gz ZBEONGLYSJGABD-LJQANCHMSA-N 2 2 314.517 4.347 20 0 DIADLP CC[C@H](Cc1ccccc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258853496 1063866449 /nfs/dbraw/zinc/86/64/49/1063866449.db2.gz ZBEONGLYSJGABD-LJQANCHMSA-N 2 2 314.517 4.347 20 0 DIADLP Cc1ccc[nH+]c1N1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001280101300 1064380619 /nfs/dbraw/zinc/38/06/19/1064380619.db2.gz CMXPZWLKSXVUFR-HXUWFJFHSA-N 2 2 313.489 4.015 20 0 DIADLP Cc1ccc[nH+]c1N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001280101300 1064380630 /nfs/dbraw/zinc/38/06/30/1064380630.db2.gz CMXPZWLKSXVUFR-HXUWFJFHSA-N 2 2 313.489 4.015 20 0 DIADLP Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001307566254 1065486554 /nfs/dbraw/zinc/48/65/54/1065486554.db2.gz HGCTVZHYCXDVLI-WMZOPIPTSA-N 2 2 320.546 4.186 20 0 DIADLP Cc1ccccc1SC[C@@H](C)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001307566254 1065486557 /nfs/dbraw/zinc/48/65/57/1065486557.db2.gz HGCTVZHYCXDVLI-WMZOPIPTSA-N 2 2 320.546 4.186 20 0 DIADLP CC1CC[NH+](CC[NH2+][C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC001307714537 1065580717 /nfs/dbraw/zinc/58/07/17/1065580717.db2.gz DHKFFTPDCGHPGI-FQEVSTJZSA-N 2 2 314.517 4.412 20 0 DIADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC001308086659 1065755501 /nfs/dbraw/zinc/75/55/01/1065755501.db2.gz ZUCJMYBQRAZOAK-HNNXBMFYSA-N 2 2 306.881 4.351 20 0 DIADLP Cc1cc(C)c([C@@H](C)[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)c1 ZINC001308169091 1065786555 /nfs/dbraw/zinc/78/65/55/1065786555.db2.gz YHWZLWOPJGFOLG-QGZVFWFLSA-N 2 2 311.473 4.286 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC001308181888 1065793033 /nfs/dbraw/zinc/79/30/33/1065793033.db2.gz CEYBPNVKHPOYIC-QGZVFWFLSA-N 2 2 310.432 4.237 20 0 DIADLP Clc1ccc(-c2cccc(C[NH2+]CC[NH+]3CCCC3)c2)cc1 ZINC001308184151 1065795972 /nfs/dbraw/zinc/79/59/72/1065795972.db2.gz XXMKQXSINKDZGD-UHFFFAOYSA-N 2 2 314.860 4.192 20 0 DIADLP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001308220503 1065825785 /nfs/dbraw/zinc/82/57/85/1065825785.db2.gz BRIFPZRQFUWZDU-IRXDYDNUSA-N 2 2 315.436 4.316 20 0 DIADLP Fc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c2ccccc12 ZINC001308245325 1065849678 /nfs/dbraw/zinc/84/96/78/1065849678.db2.gz VZJVUROBLGHLBS-UHFFFAOYSA-N 2 2 323.415 4.356 20 0 DIADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC001308273778 1065871900 /nfs/dbraw/zinc/87/19/00/1065871900.db2.gz DETWQYAKPPYPIT-ZWKOTPCHSA-N 2 2 324.553 4.070 20 0 DIADLP c1ccc(NCCC[NH2+]Cc2ccc(C3CCCC3)cc2)[nH+]c1 ZINC001308298886 1065895446 /nfs/dbraw/zinc/89/54/46/1065895446.db2.gz WMZXWNBDTZVTOI-UHFFFAOYSA-N 2 2 309.457 4.331 20 0 DIADLP c1cn(-c2csc(C[NH2+]C3(C4CCCCC4)CC3)c2)c[nH+]1 ZINC001308545347 1066058607 /nfs/dbraw/zinc/05/86/07/1066058607.db2.gz AKHDSLMSBYBRPX-UHFFFAOYSA-N 2 2 301.459 4.136 20 0 DIADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCC=CCCC3)c2)c[nH+]1 ZINC001308546939 1066060443 /nfs/dbraw/zinc/06/04/43/1066060443.db2.gz VGQWNLYLJSHDHO-HNNXBMFYSA-N 2 2 301.459 4.160 20 0 DIADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001308736913 1066212106 /nfs/dbraw/zinc/21/21/06/1066212106.db2.gz AUDMOMAEZUYWRY-CRAIPNDOSA-N 2 2 320.546 4.050 20 0 DIADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001308736913 1066212111 /nfs/dbraw/zinc/21/21/11/1066212111.db2.gz AUDMOMAEZUYWRY-CRAIPNDOSA-N 2 2 320.546 4.050 20 0 DIADLP CC[C@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC001308749796 1066222458 /nfs/dbraw/zinc/22/24/58/1066222458.db2.gz FAZBDMLKUJZDDA-GOSISDBHSA-N 2 2 314.473 4.227 20 0 DIADLP CC[C@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC001308749796 1066222477 /nfs/dbraw/zinc/22/24/77/1066222477.db2.gz FAZBDMLKUJZDDA-GOSISDBHSA-N 2 2 314.473 4.227 20 0 DIADLP CC[C@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC001308749796 1066222488 /nfs/dbraw/zinc/22/24/88/1066222488.db2.gz FAZBDMLKUJZDDA-GOSISDBHSA-N 2 2 314.473 4.227 20 0 DIADLP CC[C@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC001308749796 1066222503 /nfs/dbraw/zinc/22/25/03/1066222503.db2.gz FAZBDMLKUJZDDA-GOSISDBHSA-N 2 2 314.473 4.227 20 0 DIADLP CC[C@@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC001308749797 1066223489 /nfs/dbraw/zinc/22/34/89/1066223489.db2.gz FAZBDMLKUJZDDA-SFHVURJKSA-N 2 2 314.473 4.227 20 0 DIADLP CC[C@@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC001308749797 1066223500 /nfs/dbraw/zinc/22/35/00/1066223500.db2.gz FAZBDMLKUJZDDA-SFHVURJKSA-N 2 2 314.473 4.227 20 0 DIADLP CC[C@@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC001308749797 1066223509 /nfs/dbraw/zinc/22/35/09/1066223509.db2.gz FAZBDMLKUJZDDA-SFHVURJKSA-N 2 2 314.473 4.227 20 0 DIADLP CC[C@@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC001308749797 1066223516 /nfs/dbraw/zinc/22/35/16/1066223516.db2.gz FAZBDMLKUJZDDA-SFHVURJKSA-N 2 2 314.473 4.227 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789051 1066263818 /nfs/dbraw/zinc/26/38/18/1066263818.db2.gz PULTUFYZWOCYJX-XLIONFOSSA-N 2 2 314.517 4.313 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789051 1066263829 /nfs/dbraw/zinc/26/38/29/1066263829.db2.gz PULTUFYZWOCYJX-XLIONFOSSA-N 2 2 314.517 4.313 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)[NH+](CC)CC)cc1 ZINC001308791543 1066266675 /nfs/dbraw/zinc/26/66/75/1066266675.db2.gz DEVQVWKJYMNNBX-QGTPRVQTSA-N 2 2 324.459 4.265 20 0 DIADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001308896964 1066375043 /nfs/dbraw/zinc/37/50/43/1066375043.db2.gz WLYNDRHEFQGRPP-AQNXPRMDSA-N 2 2 300.490 4.209 20 0 DIADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001308896964 1066375055 /nfs/dbraw/zinc/37/50/55/1066375055.db2.gz WLYNDRHEFQGRPP-AQNXPRMDSA-N 2 2 300.490 4.209 20 0 DIADLP Cc1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001308904056 1066383545 /nfs/dbraw/zinc/38/35/45/1066383545.db2.gz HEFKTZCVXFBIJC-JOCHJYFZSA-N 2 2 322.496 4.182 20 0 DIADLP Cc1ccc(CC[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC001308904056 1066383551 /nfs/dbraw/zinc/38/35/51/1066383551.db2.gz HEFKTZCVXFBIJC-JOCHJYFZSA-N 2 2 322.496 4.182 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092568139 185326542 /nfs/dbraw/zinc/32/65/42/185326542.db2.gz BUUWZYIHGDBLAX-FGTMMUONSA-N 2 2 315.505 4.023 20 0 DIADLP CC(C)(C)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000092648768 185331525 /nfs/dbraw/zinc/33/15/25/185331525.db2.gz BTXVLPGLAVRDDB-UHFFFAOYSA-N 2 2 303.475 4.079 20 0 DIADLP CSCCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186781895 200009325 /nfs/dbraw/zinc/00/93/25/200009325.db2.gz DNXLJWXUDJIGEG-HNNXBMFYSA-N 2 2 303.475 4.056 20 0 DIADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000020557122 182231718 /nfs/dbraw/zinc/23/17/18/182231718.db2.gz OPTLNHVMBFEACS-GFCCVEGCSA-N 2 2 301.261 4.130 20 0 DIADLP c1ccc(C[N@@H+]2CCC[C@H](Oc3ccc4c[nH+]ccc4c3)C2)cc1 ZINC000066099960 184389343 /nfs/dbraw/zinc/38/93/43/184389343.db2.gz AKUKFSSRYRAGER-NRFANRHFSA-N 2 2 318.420 4.278 20 0 DIADLP c1ccc(C[N@H+]2CCC[C@H](Oc3ccc4c[nH+]ccc4c3)C2)cc1 ZINC000066099960 184389344 /nfs/dbraw/zinc/38/93/44/184389344.db2.gz AKUKFSSRYRAGER-NRFANRHFSA-N 2 2 318.420 4.278 20 0 DIADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152261532 196797259 /nfs/dbraw/zinc/79/72/59/196797259.db2.gz DAAADGHEIJUSCY-GOSISDBHSA-N 2 2 323.827 4.303 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cn1 ZINC000274889809 130270332 /nfs/dbraw/zinc/27/03/32/130270332.db2.gz JDQHRRXXPKAZBG-CQSZACIVSA-N 2 2 321.896 4.183 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(C)c1 ZINC000285710385 131195332 /nfs/dbraw/zinc/19/53/32/131195332.db2.gz POMUVCWYMUROHC-NRFANRHFSA-N 2 2 323.484 4.095 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc(C3CC3)c1)CCC2 ZINC000340251184 131274045 /nfs/dbraw/zinc/27/40/45/131274045.db2.gz HTQLXUSNFORHKB-DNVCBOLYSA-N 2 2 309.457 4.297 20 0 DIADLP Cc1nc2c(s1)[C@@H]([N@H+](C)CCCc1c[nH+]ccc1C)CCC2 ZINC000289486651 131390751 /nfs/dbraw/zinc/39/07/51/131390751.db2.gz CEWYHMXIAZTZFR-KRWDZBQOSA-N 2 2 315.486 4.097 20 0 DIADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCc1c[nH+]ccc1C)CCC2 ZINC000289486651 131390752 /nfs/dbraw/zinc/39/07/52/131390752.db2.gz CEWYHMXIAZTZFR-KRWDZBQOSA-N 2 2 315.486 4.097 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120788809 132151116 /nfs/dbraw/zinc/15/11/16/132151116.db2.gz PKQMFDYGAVYRGE-RDTXWAMCSA-N 2 2 307.397 4.194 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000121359454 132153877 /nfs/dbraw/zinc/15/38/77/132153877.db2.gz JVJTYMRXCINMSY-OAHLLOKOSA-N 2 2 321.424 4.147 20 0 DIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000121353617 132153934 /nfs/dbraw/zinc/15/39/34/132153934.db2.gz HYMNCGMMPGADBF-AWEZNQCLSA-N 2 2 315.848 4.055 20 0 DIADLP Cc1ccc(C2CCN(c3cc[nH+]c4ccccc43)CC2)c[nH+]1 ZINC000340788488 132175066 /nfs/dbraw/zinc/17/50/66/132175066.db2.gz VZPSBKLNPKSQJR-UHFFFAOYSA-N 2 2 303.409 4.322 20 0 DIADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000035625491 331506653 /nfs/dbraw/zinc/50/66/53/331506653.db2.gz LLVRIIBXQSYIRO-OAHLLOKOSA-N 2 2 312.244 4.321 20 0 DIADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000533511620 331558149 /nfs/dbraw/zinc/55/81/49/331558149.db2.gz FFYYYHCBUISHAV-UHFFFAOYSA-N 2 2 324.468 4.441 20 0 DIADLP F[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000584231499 331872857 /nfs/dbraw/zinc/87/28/57/331872857.db2.gz YPNAAOIVAJGCLM-WBVHZDCISA-N 2 2 324.871 4.175 20 0 DIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000558257603 331889970 /nfs/dbraw/zinc/88/99/70/331889970.db2.gz KPNQQUIUXQAXFI-MNEFBYGVSA-N 2 2 315.505 4.021 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+]C[C@H]3CC=CCC3)ccc2n1C1CC1 ZINC000558782168 331942786 /nfs/dbraw/zinc/94/27/86/331942786.db2.gz HTGIAKWDMDWQAI-HNNXBMFYSA-N 2 2 309.457 4.380 20 0 DIADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000091672196 332110011 /nfs/dbraw/zinc/11/00/11/332110011.db2.gz FOABGQFEJZGUTM-UHFFFAOYSA-N 2 2 318.461 4.080 20 0 DIADLP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236661384 332201523 /nfs/dbraw/zinc/20/15/23/332201523.db2.gz RJHDGVKXSRDGQF-MSOLQXFVSA-N 2 2 315.505 4.245 20 0 DIADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368100 332233406 /nfs/dbraw/zinc/23/34/06/332233406.db2.gz CNFKOASWBREYKG-CQSZACIVSA-N 2 2 315.848 4.373 20 0 DIADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536370288 332234317 /nfs/dbraw/zinc/23/43/17/332234317.db2.gz NFDRLPXHKBOMHO-GOSISDBHSA-N 2 2 313.420 4.248 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccsc2C(F)(F)F)CC1 ZINC000529524593 335096511 /nfs/dbraw/zinc/09/65/11/335096511.db2.gz GDXJGXFFUBZDRZ-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccsc2C(F)(F)F)CC1 ZINC000529524593 335096513 /nfs/dbraw/zinc/09/65/13/335096513.db2.gz GDXJGXFFUBZDRZ-UHFFFAOYSA-N 2 2 320.424 4.073 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000559740541 332278255 /nfs/dbraw/zinc/27/82/55/332278255.db2.gz KMKAXXKRCHTECJ-LQJIQPLVSA-N 2 2 324.468 4.328 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000559740541 332278256 /nfs/dbraw/zinc/27/82/56/332278256.db2.gz KMKAXXKRCHTECJ-LQJIQPLVSA-N 2 2 324.468 4.328 20 0 DIADLP CCCCOc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000560244077 332322498 /nfs/dbraw/zinc/32/24/98/332322498.db2.gz VEKFYKPTVJXRKW-KRWDZBQOSA-N 2 2 312.457 4.462 20 0 DIADLP Cc1ccnc([C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000560528239 332351789 /nfs/dbraw/zinc/35/17/89/332351789.db2.gz OSRGUOIAHSAUHU-IRXDYDNUSA-N 2 2 311.473 4.170 20 0 DIADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000560546856 332356226 /nfs/dbraw/zinc/35/62/26/332356226.db2.gz XMDQCRXAEXICJQ-KRWDZBQOSA-N 2 2 323.465 4.313 20 0 DIADLP c1cn(-c2csc(C[N@H+]3CCC[C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000560546856 332356227 /nfs/dbraw/zinc/35/62/27/332356227.db2.gz XMDQCRXAEXICJQ-KRWDZBQOSA-N 2 2 323.465 4.313 20 0 DIADLP Clc1ccc(C[NH+]2CCC([NH2+]CCCC3CC3)CC2)cc1 ZINC000560899501 332392591 /nfs/dbraw/zinc/39/25/91/332392591.db2.gz PLRYIAGJSIQVAN-UHFFFAOYSA-N 2 2 306.881 4.084 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCCCC1 ZINC000561393526 332445844 /nfs/dbraw/zinc/44/58/44/332445844.db2.gz WKVSRVTXNHJAEB-KRWDZBQOSA-N 2 2 311.473 4.380 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151360894 332574110 /nfs/dbraw/zinc/57/41/10/332574110.db2.gz DAQRHUDPCOHVIQ-KRWDZBQOSA-N 2 2 305.425 4.091 20 0 DIADLP Cc1cc(C)cc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)c1 ZINC000462659147 333027826 /nfs/dbraw/zinc/02/78/26/333027826.db2.gz IBSAJKGXPNNKOB-UHFFFAOYSA-N 2 2 319.452 4.347 20 0 DIADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000314354397 333104791 /nfs/dbraw/zinc/10/47/91/333104791.db2.gz LZEWDLXQUBKYMB-ROUUACIJSA-N 2 2 312.482 4.116 20 0 DIADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000522716618 333175041 /nfs/dbraw/zinc/17/50/41/333175041.db2.gz LYIGUGUQGAJSGX-UHFFFAOYSA-N 2 2 319.452 4.231 20 0 DIADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@H]32)[nH+]1 ZINC000582089597 333208880 /nfs/dbraw/zinc/20/88/80/333208880.db2.gz MYLDSCWEMCKJSK-HSALFYBXSA-N 2 2 317.436 4.102 20 0 DIADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@H]32)[nH+]1 ZINC000582089597 333208881 /nfs/dbraw/zinc/20/88/81/333208881.db2.gz MYLDSCWEMCKJSK-HSALFYBXSA-N 2 2 317.436 4.102 20 0 DIADLP Cc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000390439906 333280195 /nfs/dbraw/zinc/28/01/95/333280195.db2.gz XDCOFETZQPSRAM-QGZVFWFLSA-N 2 2 305.425 4.074 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390563864 333300442 /nfs/dbraw/zinc/30/04/42/333300442.db2.gz NRAUTFONQURQFV-MJGOQNOKSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390563864 333300444 /nfs/dbraw/zinc/30/04/44/333300444.db2.gz NRAUTFONQURQFV-MJGOQNOKSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390563865 333300575 /nfs/dbraw/zinc/30/05/75/333300575.db2.gz NRAUTFONQURQFV-PKOBYXMFSA-N 2 2 324.468 4.010 20 0 DIADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390563865 333300576 /nfs/dbraw/zinc/30/05/76/333300576.db2.gz NRAUTFONQURQFV-PKOBYXMFSA-N 2 2 324.468 4.010 20 0 DIADLP CSc1ccc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000390578639 333302534 /nfs/dbraw/zinc/30/25/34/333302534.db2.gz GELBNFQPWMJJCH-MRXNPFEDSA-N 2 2 314.498 4.019 20 0 DIADLP CSc1ccc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000390578639 333302536 /nfs/dbraw/zinc/30/25/36/333302536.db2.gz GELBNFQPWMJJCH-MRXNPFEDSA-N 2 2 314.498 4.019 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390580596 333303697 /nfs/dbraw/zinc/30/36/97/333303697.db2.gz HQYVMHOVLMERBF-CABCVRRESA-N 2 2 316.411 4.218 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390580596 333303698 /nfs/dbraw/zinc/30/36/98/333303698.db2.gz HQYVMHOVLMERBF-CABCVRRESA-N 2 2 316.411 4.218 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880771 333305557 /nfs/dbraw/zinc/30/55/57/333305557.db2.gz PADZGBKSSCUJAG-ROUUACIJSA-N 2 2 318.480 4.331 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880771 333305558 /nfs/dbraw/zinc/30/55/58/333305558.db2.gz PADZGBKSSCUJAG-ROUUACIJSA-N 2 2 318.480 4.331 20 0 DIADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880770 333305627 /nfs/dbraw/zinc/30/56/27/333305627.db2.gz PADZGBKSSCUJAG-QZTJIDSGSA-N 2 2 318.480 4.331 20 0 DIADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498880770 333305629 /nfs/dbraw/zinc/30/56/29/333305629.db2.gz PADZGBKSSCUJAG-QZTJIDSGSA-N 2 2 318.480 4.331 20 0 DIADLP Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000320738602 335133133 /nfs/dbraw/zinc/13/31/33/335133133.db2.gz VRYIMCJSCLICFT-FQEVSTJZSA-N 2 2 312.432 4.061 20 0 DIADLP c1ccc(N2CCC([NH2+]C3CCC4(CCCC4)CC3)CC2)[nH+]c1 ZINC000323536685 333374309 /nfs/dbraw/zinc/37/43/09/333374309.db2.gz LWNMPVOBBHJNBZ-UHFFFAOYSA-N 2 2 313.489 4.143 20 0 DIADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000061324866 333427427 /nfs/dbraw/zinc/42/74/27/333427427.db2.gz XNJMFGSUVYWJLA-DLBZAZTESA-N 2 2 300.471 4.018 20 0 DIADLP COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000531692592 333546063 /nfs/dbraw/zinc/54/60/63/333546063.db2.gz IERWKPNEHHVRQQ-UTKZUKDTSA-N 2 2 324.468 4.183 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000531693230 333546328 /nfs/dbraw/zinc/54/63/28/333546328.db2.gz VRSVKQAAWOJTBW-AWEZNQCLSA-N 2 2 311.404 4.225 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cscn2)cc1 ZINC000534328274 333576732 /nfs/dbraw/zinc/57/67/32/333576732.db2.gz TWLBHWCRNARXCH-QWHCGFSZSA-N 2 2 312.442 4.049 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000152103846 333610469 /nfs/dbraw/zinc/61/04/69/333610469.db2.gz GSIMHERYBSLSBZ-QGZVFWFLSA-N 2 2 311.454 4.234 20 0 DIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000152244070 333650706 /nfs/dbraw/zinc/65/07/06/333650706.db2.gz TZGIMRQPGBUYCA-AWEZNQCLSA-N 2 2 323.465 4.273 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000571632522 333865567 /nfs/dbraw/zinc/86/55/67/333865567.db2.gz QAXPUKMZIWQKLO-HNAYVOBHSA-N 2 2 300.446 4.014 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000414106437 333897320 /nfs/dbraw/zinc/89/73/20/333897320.db2.gz QXSMTSWVKDYZRK-LZQZEXGQSA-N 2 2 315.505 4.021 20 0 DIADLP [NH3+]C1CC[NH+](Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC000414650636 334054881 /nfs/dbraw/zinc/05/48/81/334054881.db2.gz DMZYKSMFLAFBFS-UHFFFAOYSA-N 2 2 316.832 4.055 20 0 DIADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000343526510 335174876 /nfs/dbraw/zinc/17/48/76/335174876.db2.gz JRIFTSPHGMBXHH-IERDGZPVSA-N 2 2 317.436 4.270 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000276483507 334079690 /nfs/dbraw/zinc/07/96/90/334079690.db2.gz SOGGRPLVKILVCG-FQEVSTJZSA-N 2 2 309.457 4.335 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000276483507 334079691 /nfs/dbraw/zinc/07/96/91/334079691.db2.gz SOGGRPLVKILVCG-FQEVSTJZSA-N 2 2 309.457 4.335 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000343507576 335172653 /nfs/dbraw/zinc/17/26/53/335172653.db2.gz IPMWKRMNJLWXSF-IIBYNOLFSA-N 2 2 317.436 4.270 20 0 DIADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000414815376 334106531 /nfs/dbraw/zinc/10/65/31/334106531.db2.gz XKDIGZPWFXMOIT-KBXCAEBGSA-N 2 2 318.411 4.062 20 0 DIADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CCC(F)(F)F)cc1 ZINC000414850499 334123206 /nfs/dbraw/zinc/12/32/06/334123206.db2.gz SJNBEVFGSUNKTC-SWLSCSKDSA-N 2 2 302.384 4.130 20 0 DIADLP CC(C)C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000343579781 335179092 /nfs/dbraw/zinc/17/90/92/335179092.db2.gz IJHAPMIWDAGMRJ-KRWDZBQOSA-N 2 2 305.853 4.304 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291108990 334176662 /nfs/dbraw/zinc/17/66/62/334176662.db2.gz KEPYNKSYYXKYDW-INIZCTEOSA-N 2 2 314.395 4.144 20 0 DIADLP C[C@@H](CCC(F)(F)F)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414940167 334202141 /nfs/dbraw/zinc/20/21/41/334202141.db2.gz JYSXARNIGGNHOM-BLLLJJGKSA-N 2 2 310.363 4.160 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000534472095 334270779 /nfs/dbraw/zinc/27/07/79/334270779.db2.gz GSORSHRGJTYCJG-KRWDZBQOSA-N 2 2 323.415 4.148 20 0 DIADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415107361 334281390 /nfs/dbraw/zinc/28/13/90/334281390.db2.gz JCUPASKHJHSMST-HQRMLTQVSA-N 2 2 324.468 4.148 20 0 DIADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000531967127 334325702 /nfs/dbraw/zinc/32/57/02/334325702.db2.gz YGBWZKDBQXHBIW-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000535204303 334380219 /nfs/dbraw/zinc/38/02/19/334380219.db2.gz BBTBJRBVCZAZPO-GOSISDBHSA-N 2 2 323.415 4.148 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)CCC(F)(F)F)[NH+](C)C ZINC000443200820 338446947 /nfs/dbraw/zinc/44/69/47/338446947.db2.gz WOVPDRAYOANBDT-DZKIICNBSA-N 2 2 316.411 4.307 20 0 DIADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000341760366 334477891 /nfs/dbraw/zinc/47/78/91/334477891.db2.gz KGMCMCZNACTFIW-QGZVFWFLSA-N 2 2 323.415 4.302 20 0 DIADLP CC(C)(C)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000341854444 334487864 /nfs/dbraw/zinc/48/78/64/334487864.db2.gz BPHYYJTURULHGR-MRXNPFEDSA-N 2 2 305.853 4.304 20 0 DIADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc(Cl)c1 ZINC000343971933 335208899 /nfs/dbraw/zinc/20/88/99/335208899.db2.gz FBCBKYCKAOUQOF-RDJZCZTQSA-N 2 2 317.864 4.463 20 0 DIADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000344101580 335223007 /nfs/dbraw/zinc/22/30/07/335223007.db2.gz MGBQVWOYDJIJHO-FQEVSTJZSA-N 2 2 321.399 4.179 20 0 DIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1csc(Cl)c1 ZINC000345318467 335317023 /nfs/dbraw/zinc/31/70/23/335317023.db2.gz WEEQBPZMMCEKBU-GFCCVEGCSA-N 2 2 317.845 4.438 20 0 DIADLP Clc1ccc([C@H](CC2CC2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000345695274 335342602 /nfs/dbraw/zinc/34/26/02/335342602.db2.gz PCTSVRWVZLKNKZ-KRWDZBQOSA-N 2 2 303.837 4.058 20 0 DIADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCc2ccccc21 ZINC000346149248 335381855 /nfs/dbraw/zinc/38/18/55/335381855.db2.gz LRBZSLDXLCIEPN-SFHVURJKSA-N 2 2 309.438 4.053 20 0 DIADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCc2ccccc21 ZINC000346149248 335381858 /nfs/dbraw/zinc/38/18/58/335381858.db2.gz LRBZSLDXLCIEPN-SFHVURJKSA-N 2 2 309.438 4.053 20 0 DIADLP CC(C)[N@H+](Cc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346189830 335388194 /nfs/dbraw/zinc/38/81/94/335388194.db2.gz ZQPDXQAYDCPXFH-UHFFFAOYSA-N 2 2 317.483 4.406 20 0 DIADLP CC(C)[N@@H+](Cc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346189830 335388195 /nfs/dbraw/zinc/38/81/95/335388195.db2.gz ZQPDXQAYDCPXFH-UHFFFAOYSA-N 2 2 317.483 4.406 20 0 DIADLP FC(F)(F)c1ccccc1[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000346300875 335396319 /nfs/dbraw/zinc/39/63/19/335396319.db2.gz DDRQGESTTIYBLB-MRXNPFEDSA-N 2 2 323.362 4.129 20 0 DIADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)[NH+](C)C)cc1 ZINC000347904431 335533137 /nfs/dbraw/zinc/53/31/37/335533137.db2.gz HILGSOBORONJOI-NHCUHLMSSA-N 2 2 323.484 4.134 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCc2ccccc21 ZINC000347924740 335539079 /nfs/dbraw/zinc/53/90/79/335539079.db2.gz RDUZOZXURPRQET-SFHVURJKSA-N 2 2 305.425 4.012 20 0 DIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1csc(Cl)c1 ZINC000191175918 335629651 /nfs/dbraw/zinc/62/96/51/335629651.db2.gz FGSQUBQVOHWPTL-GFCCVEGCSA-N 2 2 321.877 4.116 20 0 DIADLP c1ccc(NC2CC[NH+](Cc3cccc4ccccc43)CC2)[nH+]c1 ZINC000535575033 335653356 /nfs/dbraw/zinc/65/33/56/335653356.db2.gz IZAWMSZXYBAUPU-UHFFFAOYSA-N 2 2 317.436 4.311 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000349760607 335697701 /nfs/dbraw/zinc/69/77/01/335697701.db2.gz UTKCRBXBDFRGCU-SFHVURJKSA-N 2 2 300.833 4.253 20 0 DIADLP Fc1ccc(C2=CC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000350284477 335742602 /nfs/dbraw/zinc/74/26/02/335742602.db2.gz AJGFHWQOPIXKQS-SFHVURJKSA-N 2 2 321.399 4.199 20 0 DIADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480556357 336031179 /nfs/dbraw/zinc/03/11/79/336031179.db2.gz RLNHQAJUWYPIPG-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480556357 336031180 /nfs/dbraw/zinc/03/11/80/336031180.db2.gz RLNHQAJUWYPIPG-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480556357 336031181 /nfs/dbraw/zinc/03/11/81/336031181.db2.gz RLNHQAJUWYPIPG-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC000480556357 336031182 /nfs/dbraw/zinc/03/11/82/336031182.db2.gz RLNHQAJUWYPIPG-ZIAGYGMSSA-N 2 2 312.860 4.204 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000324224131 336112651 /nfs/dbraw/zinc/11/26/51/336112651.db2.gz FWSQLQUOEKWCAQ-KUHUBIRLSA-N 2 2 305.425 4.183 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000324224122 336112748 /nfs/dbraw/zinc/11/27/48/336112748.db2.gz FWSQLQUOEKWCAQ-AUUYWEPGSA-N 2 2 305.425 4.183 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000352348763 336213493 /nfs/dbraw/zinc/21/34/93/336213493.db2.gz DTPFZZBQYDTGJB-OAHLLOKOSA-N 2 2 314.404 4.134 20 0 DIADLP Cc1ccccc1[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352365757 336214015 /nfs/dbraw/zinc/21/40/15/336214015.db2.gz WMHQBCPTULZNGN-KRWDZBQOSA-N 2 2 310.441 4.303 20 0 DIADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000352358849 336214093 /nfs/dbraw/zinc/21/40/93/336214093.db2.gz YVHYTSPWNLZELO-UHFFFAOYSA-N 2 2 316.832 4.087 20 0 DIADLP C[C@H]([NH2+]Cc1ccc2occc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000352761721 336233581 /nfs/dbraw/zinc/23/35/81/336233581.db2.gz YRWQLJJYAPKFBB-HNNXBMFYSA-N 2 2 317.392 4.469 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000532461227 336248782 /nfs/dbraw/zinc/24/87/82/336248782.db2.gz MDAICYRGMCCWBR-CYBMUJFWSA-N 2 2 313.832 4.500 20 0 DIADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000532451796 336249985 /nfs/dbraw/zinc/24/99/85/336249985.db2.gz PQAISSZXZBEHCG-HXUWFJFHSA-N 2 2 321.468 4.124 20 0 DIADLP CCc1oc2ccccc2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352853381 336280259 /nfs/dbraw/zinc/28/02/59/336280259.db2.gz MNERIJXXNNWFFI-UHFFFAOYSA-N 2 2 309.413 4.098 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000192945955 336285646 /nfs/dbraw/zinc/28/56/46/336285646.db2.gz YOFPGMPNANSMGP-MRXNPFEDSA-N 2 2 323.465 4.171 20 0 DIADLP Cc1cc(NCc2cn3cc(Cl)ccc3[nH+]2)c2ccccc2[nH+]1 ZINC000301077506 336288822 /nfs/dbraw/zinc/28/88/22/336288822.db2.gz MAKMWEXQLPUEGN-UHFFFAOYSA-N 2 2 322.799 4.456 20 0 DIADLP Fc1cc(CNc2cc[nH+]c3ccsc32)ccc1-n1cc[nH+]c1 ZINC000301334451 336301120 /nfs/dbraw/zinc/30/11/20/336301120.db2.gz CLWPMBOJHCRYEH-UHFFFAOYSA-N 2 2 324.384 4.233 20 0 DIADLP c1cn(Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)c[nH+]1 ZINC000301345621 336301789 /nfs/dbraw/zinc/30/17/89/336301789.db2.gz HDRJQGJBHHAXFS-UHFFFAOYSA-N 2 2 320.421 4.153 20 0 DIADLP c1cc2[nH+]ccc(NCCCc3[nH]c4ccccc4[nH+]3)c2s1 ZINC000301574587 336315953 /nfs/dbraw/zinc/31/59/53/336315953.db2.gz ZGIOPKXSAWZTCY-UHFFFAOYSA-N 2 2 308.410 4.217 20 0 DIADLP Cn1c(CCCNc2cc[nH+]c3ccsc32)[nH+]c2ccccc21 ZINC000301599580 336317497 /nfs/dbraw/zinc/31/74/97/336317497.db2.gz YHMAPRBGNMUEHB-UHFFFAOYSA-N 2 2 322.437 4.228 20 0 DIADLP Cc1nc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301672639 336322518 /nfs/dbraw/zinc/32/25/18/336322518.db2.gz GDTRIVJNHRBFBO-INIZCTEOSA-N 2 2 324.472 4.039 20 0 DIADLP CC(C)Cn1cc[nH+]c1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301742528 336326893 /nfs/dbraw/zinc/32/68/93/336326893.db2.gz FMZPHGDINIMUFI-UHFFFAOYSA-N 2 2 314.820 4.353 20 0 DIADLP Cc1ccc2[nH+]ccc(NCc3ccc(N4CCCC4)[nH+]c3)c2c1 ZINC000302140169 336350331 /nfs/dbraw/zinc/35/03/31/336350331.db2.gz DIGSQEKUXFUJOA-UHFFFAOYSA-N 2 2 318.424 4.151 20 0 DIADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]CC2CCCCC2)c[nH+]1 ZINC000514635031 336387006 /nfs/dbraw/zinc/38/70/06/336387006.db2.gz PWUSQPIOKSUZRX-PMACEKPBSA-N 2 2 309.457 4.282 20 0 DIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)C)nc2CC)CC1 ZINC000582254091 336395512 /nfs/dbraw/zinc/39/55/12/336395512.db2.gz NCBSGJFSNBKCOD-UHFFFAOYSA-N 2 2 317.521 4.074 20 0 DIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)C)nc2CC)CC1 ZINC000582254091 336395513 /nfs/dbraw/zinc/39/55/13/336395513.db2.gz NCBSGJFSNBKCOD-UHFFFAOYSA-N 2 2 317.521 4.074 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000564003184 336396000 /nfs/dbraw/zinc/39/60/00/336396000.db2.gz DFBMYIPSRGHJGA-UHFFFAOYSA-N 2 2 300.833 4.034 20 0 DIADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000564003184 336396001 /nfs/dbraw/zinc/39/60/01/336396001.db2.gz DFBMYIPSRGHJGA-UHFFFAOYSA-N 2 2 300.833 4.034 20 0 DIADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1cccc(OC)c1 ZINC000358038740 336607967 /nfs/dbraw/zinc/60/79/67/336607967.db2.gz PEZWQLBXKKDOTN-SFHVURJKSA-N 2 2 323.440 4.094 20 0 DIADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1cc(Cl)ccc1OC ZINC000358217413 336617345 /nfs/dbraw/zinc/61/73/45/336617345.db2.gz BWFLCZLRRUTBHL-KRWDZBQOSA-N 2 2 318.848 4.335 20 0 DIADLP Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000358243258 336619125 /nfs/dbraw/zinc/61/91/25/336619125.db2.gz XEAAKBZSLIOWSX-CHWSQXEVSA-N 2 2 312.442 4.049 20 0 DIADLP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000359627446 336680776 /nfs/dbraw/zinc/68/07/76/336680776.db2.gz CKXHPGAHSDEHQP-ZDUSSCGKSA-N 2 2 311.351 4.083 20 0 DIADLP c1cn(-c2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)c[nH+]1 ZINC000361485060 336758753 /nfs/dbraw/zinc/75/87/53/336758753.db2.gz MBSIMHUZEQWHQQ-SFHVURJKSA-N 2 2 321.449 4.199 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccsc2S1 ZINC000361928252 336778570 /nfs/dbraw/zinc/77/85/70/336778570.db2.gz VUJQWDGJAZIHFK-TZMCWYRMSA-N 2 2 319.499 4.160 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1csc(Cl)c1)CCC2 ZINC000376995234 337044799 /nfs/dbraw/zinc/04/47/99/337044799.db2.gz OHTXPHYRIVEOJW-NEPJUHHUSA-N 2 2 309.866 4.135 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1csc(Cl)c1)CCC2 ZINC000376995237 337044813 /nfs/dbraw/zinc/04/48/13/337044813.db2.gz OHTXPHYRIVEOJW-VXGBXAGGSA-N 2 2 309.866 4.135 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798945 337061430 /nfs/dbraw/zinc/06/14/30/337061430.db2.gz OTMIXEXWTDIPRW-ZWNOBZJWSA-N 2 2 315.804 4.017 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000377798945 337061431 /nfs/dbraw/zinc/06/14/31/337061431.db2.gz OTMIXEXWTDIPRW-ZWNOBZJWSA-N 2 2 315.804 4.017 20 0 DIADLP Cc1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000377865832 337062812 /nfs/dbraw/zinc/06/28/12/337062812.db2.gz VAHCIEQGRIECSW-LEWJYISDSA-N 2 2 317.436 4.210 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000377964944 337064528 /nfs/dbraw/zinc/06/45/28/337064528.db2.gz WTRSDKVGTNRACW-GDBMZVCRSA-N 2 2 315.486 4.142 20 0 DIADLP CSc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000173348846 337134705 /nfs/dbraw/zinc/13/47/05/337134705.db2.gz ZZURSKSHBOFEKY-HNNXBMFYSA-N 2 2 323.465 4.445 20 0 DIADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000191204214 337294926 /nfs/dbraw/zinc/29/49/26/337294926.db2.gz AWZBPEICHURIAW-KRWDZBQOSA-N 2 2 315.486 4.243 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(Sc2ccccc2)CC1 ZINC000583289696 337307083 /nfs/dbraw/zinc/30/70/83/337307083.db2.gz NWIVWQXMVCWEEP-UHFFFAOYSA-N 2 2 312.482 4.237 20 0 DIADLP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000584546585 337358387 /nfs/dbraw/zinc/35/83/87/337358387.db2.gz GNDIDAZYPHHGQE-CYBMUJFWSA-N 2 2 303.837 4.032 20 0 DIADLP CCC[N@H+]1CC[C@H](CNc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000584546585 337358388 /nfs/dbraw/zinc/35/83/88/337358388.db2.gz GNDIDAZYPHHGQE-CYBMUJFWSA-N 2 2 303.837 4.032 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000237571408 337468966 /nfs/dbraw/zinc/46/89/66/337468966.db2.gz ADZKTINFZFRZOQ-YOEHRIQHSA-N 2 2 323.440 4.241 20 0 DIADLP COc1ccc([C@@H]([NH2+]CCc2cc[nH+]cc2C)C(C)C)c(F)c1 ZINC000421832467 337651590 /nfs/dbraw/zinc/65/15/90/337651590.db2.gz HAAWHZWUVCZBJA-IBGZPJMESA-N 2 2 316.420 4.067 20 0 DIADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422758227 337685166 /nfs/dbraw/zinc/68/51/66/337685166.db2.gz IMZNSALBHIWNCP-SQNIBIBYSA-N 2 2 302.368 4.150 20 0 DIADLP CCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422876543 337689781 /nfs/dbraw/zinc/68/97/81/337689781.db2.gz QIIAOCCVRHUJHZ-RBUKOAKNSA-N 2 2 310.441 4.018 20 0 DIADLP C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422935213 337692304 /nfs/dbraw/zinc/69/23/04/337692304.db2.gz DJBVQKOROLLLRP-YLQAJVPDSA-N 2 2 320.889 4.221 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1Cl ZINC000423143843 337701550 /nfs/dbraw/zinc/70/15/50/337701550.db2.gz FCBRLZSSYMGKLG-GPNNCHTKSA-N 2 2 304.796 4.275 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000396980269 337736571 /nfs/dbraw/zinc/73/65/71/337736571.db2.gz VEKDACGOVXJAOD-OLZOCXBDSA-N 2 2 311.351 4.111 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cc(C)ccc1C ZINC000527818478 337763496 /nfs/dbraw/zinc/76/34/96/337763496.db2.gz FPVWSHYOPXQTAP-IBGZPJMESA-N 2 2 320.440 4.125 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c[nH+]c12 ZINC000527794552 337764323 /nfs/dbraw/zinc/76/43/23/337764323.db2.gz DBYOPFVXNXPCRQ-KRWDZBQOSA-N 2 2 311.816 4.073 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)[C@@H]2CC23CC3)c(C)c1 ZINC000527875122 337771018 /nfs/dbraw/zinc/77/10/18/337771018.db2.gz KQPMFQDYMWEICB-NEWSRXKRSA-N 2 2 309.457 4.019 20 0 DIADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)[C@H]3CC34CC4)ccc2n1C1CC1 ZINC000527895652 337772197 /nfs/dbraw/zinc/77/21/97/337772197.db2.gz CFAIFYHNTFBJRF-XJKSGUPXSA-N 2 2 309.457 4.212 20 0 DIADLP CC(C)n1c[nH+]cc1CNc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000424176659 337797267 /nfs/dbraw/zinc/79/72/67/337797267.db2.gz SIJLWMUOSNWCJN-UHFFFAOYSA-N 2 2 323.444 4.152 20 0 DIADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000120496639 337875676 /nfs/dbraw/zinc/87/56/76/337875676.db2.gz LXVULQBDJPBJMS-KRWDZBQOSA-N 2 2 305.425 4.291 20 0 DIADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090459062 337881180 /nfs/dbraw/zinc/88/11/80/337881180.db2.gz CRJIQZUDXIVVQZ-ZDUSSCGKSA-N 2 2 324.453 4.057 20 0 DIADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000515217193 337982961 /nfs/dbraw/zinc/98/29/61/337982961.db2.gz ZZBUSHCMAMZANE-SJLPKXTDSA-N 2 2 317.864 4.243 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc3ccc(C)cc3o1)CCC2 ZINC000426027770 338019743 /nfs/dbraw/zinc/01/97/43/338019743.db2.gz CJJIMWRDSOARCM-DOTOQJQBSA-N 2 2 323.440 4.474 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(Cl)ccc1Cl ZINC000426751137 338040690 /nfs/dbraw/zinc/04/06/90/338040690.db2.gz SXNRCSNDCAQMSB-YPMHNXCESA-N 2 2 301.261 4.128 20 0 DIADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(Cl)ccc1Cl ZINC000426751137 338040691 /nfs/dbraw/zinc/04/06/91/338040691.db2.gz SXNRCSNDCAQMSB-YPMHNXCESA-N 2 2 301.261 4.128 20 0 DIADLP Cc1ccc2c(C)cc(N(C)Cc3cn4c([nH+]3)CCCC4)[nH+]c2c1 ZINC000428678833 338058329 /nfs/dbraw/zinc/05/83/29/338058329.db2.gz IVMDBPJDYIGQSB-UHFFFAOYSA-N 2 2 320.440 4.021 20 0 DIADLP COC1(C[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000429527787 338083045 /nfs/dbraw/zinc/08/30/45/338083045.db2.gz NJVFURQTYYABHX-SJORKVTESA-N 2 2 318.505 4.053 20 0 DIADLP COc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]ccc2C)cc1 ZINC000429834948 338090898 /nfs/dbraw/zinc/09/08/98/338090898.db2.gz WELRHPZCGJDFLW-FQEVSTJZSA-N 2 2 310.441 4.168 20 0 DIADLP COc1ccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]ccc2C)cc1 ZINC000429834948 338090899 /nfs/dbraw/zinc/09/08/99/338090899.db2.gz WELRHPZCGJDFLW-FQEVSTJZSA-N 2 2 310.441 4.168 20 0 DIADLP C[C@H](CCSc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000431624831 338134952 /nfs/dbraw/zinc/13/49/52/338134952.db2.gz XLBLPOWUWVJPFS-HZPDHXFCSA-N 2 2 315.486 4.160 20 0 DIADLP C[C@H](CCSc1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000431624831 338134953 /nfs/dbraw/zinc/13/49/53/338134953.db2.gz XLBLPOWUWVJPFS-HZPDHXFCSA-N 2 2 315.486 4.160 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]Cc1csc(Cl)c1Cl ZINC000432258116 338151590 /nfs/dbraw/zinc/15/15/90/338151590.db2.gz MKSAUPKOTWNPGF-UHFFFAOYSA-N 2 2 301.242 4.091 20 0 DIADLP Clc1scc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000432743467 338165633 /nfs/dbraw/zinc/16/56/33/338165633.db2.gz VNCJKGBVRNSXRM-SECBINFHSA-N 2 2 316.257 4.158 20 0 DIADLP Clc1scc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000432743467 338165634 /nfs/dbraw/zinc/16/56/34/338165634.db2.gz VNCJKGBVRNSXRM-SECBINFHSA-N 2 2 316.257 4.158 20 0 DIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748479 338166029 /nfs/dbraw/zinc/16/60/29/338166029.db2.gz UDICPMJXYNPVHQ-GFCCVEGCSA-N 2 2 320.424 4.073 20 0 DIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748479 338166030 /nfs/dbraw/zinc/16/60/30/338166030.db2.gz UDICPMJXYNPVHQ-GFCCVEGCSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748479 338166031 /nfs/dbraw/zinc/16/60/31/338166031.db2.gz UDICPMJXYNPVHQ-GFCCVEGCSA-N 2 2 320.424 4.073 20 0 DIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(F)(F)F)s1 ZINC000432748479 338166032 /nfs/dbraw/zinc/16/60/32/338166032.db2.gz UDICPMJXYNPVHQ-GFCCVEGCSA-N 2 2 320.424 4.073 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751934 338166486 /nfs/dbraw/zinc/16/64/86/338166486.db2.gz GKSJVHISXIICNQ-VXGBXAGGSA-N 2 2 320.424 4.072 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751934 338166487 /nfs/dbraw/zinc/16/64/87/338166487.db2.gz GKSJVHISXIICNQ-VXGBXAGGSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751934 338166488 /nfs/dbraw/zinc/16/64/88/338166488.db2.gz GKSJVHISXIICNQ-VXGBXAGGSA-N 2 2 320.424 4.072 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)C[C@H]1C ZINC000432751934 338166489 /nfs/dbraw/zinc/16/64/89/338166489.db2.gz GKSJVHISXIICNQ-VXGBXAGGSA-N 2 2 320.424 4.072 20 0 DIADLP CCC[C@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000433148887 338183057 /nfs/dbraw/zinc/18/30/57/338183057.db2.gz CBUAFTJWWHZEQH-OALUTQOASA-N 2 2 311.473 4.032 20 0 DIADLP CC1(C)CC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000433170591 338183901 /nfs/dbraw/zinc/18/39/01/338183901.db2.gz XYINBTPZNVFDFX-UHFFFAOYSA-N 2 2 306.881 4.083 20 0 DIADLP c1c2ccccc2sc1C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434792966 338225830 /nfs/dbraw/zinc/22/58/30/338225830.db2.gz JOSRJDGLCOKMQJ-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP c1c2ccccc2sc1C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434792966 338225831 /nfs/dbraw/zinc/22/58/31/338225831.db2.gz JOSRJDGLCOKMQJ-INIZCTEOSA-N 2 2 300.471 4.008 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000437583462 338314592 /nfs/dbraw/zinc/31/45/92/338314592.db2.gz SRPOGRXBZSZGOF-HKBOAZHASA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000437583462 338314593 /nfs/dbraw/zinc/31/45/93/338314593.db2.gz SRPOGRXBZSZGOF-HKBOAZHASA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000437583464 338314695 /nfs/dbraw/zinc/31/46/95/338314695.db2.gz SRPOGRXBZSZGOF-NJYVYQBISA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000437583464 338314696 /nfs/dbraw/zinc/31/46/96/338314696.db2.gz SRPOGRXBZSZGOF-NJYVYQBISA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000437702622 338318786 /nfs/dbraw/zinc/31/87/86/338318786.db2.gz SOVFUCFEAVPYTF-NJYVYQBISA-N 2 2 312.501 4.057 20 0 DIADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000437702622 338318787 /nfs/dbraw/zinc/31/87/87/338318787.db2.gz SOVFUCFEAVPYTF-NJYVYQBISA-N 2 2 312.501 4.057 20 0 DIADLP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000438107418 338332051 /nfs/dbraw/zinc/33/20/51/338332051.db2.gz VYKBEEIQJLLQAM-WLRLJWMZSA-N 2 2 323.484 4.276 20 0 DIADLP C[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000438107418 338332052 /nfs/dbraw/zinc/33/20/52/338332052.db2.gz VYKBEEIQJLLQAM-WLRLJWMZSA-N 2 2 323.484 4.276 20 0 DIADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000438176318 338334993 /nfs/dbraw/zinc/33/49/93/338334993.db2.gz QVBNGXLQUXUMQN-CVEARBPZSA-N 2 2 323.415 4.293 20 0 DIADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000438195729 338336164 /nfs/dbraw/zinc/33/61/64/338336164.db2.gz DOJUGKHWMUAOGG-CVEARBPZSA-N 2 2 323.415 4.466 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156190986 338344832 /nfs/dbraw/zinc/34/48/32/338344832.db2.gz DWXIGQZEYMVZCM-NTZNESFSSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000156190986 338344831 /nfs/dbraw/zinc/34/48/31/338344831.db2.gz DWXIGQZEYMVZCM-NTZNESFSSA-N 2 2 301.261 4.127 20 0 DIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000162869765 338402849 /nfs/dbraw/zinc/40/28/49/338402849.db2.gz ZMGWDJWZVGTMJH-GFCCVEGCSA-N 2 2 323.362 4.042 20 0 DIADLP Clc1cc(Cl)cc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000447299729 338548585 /nfs/dbraw/zinc/54/85/85/338548585.db2.gz TUOXXVCVWQDVNM-UHFFFAOYSA-N 2 2 324.255 4.139 20 0 DIADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc3ccoc31)C2 ZINC000449113554 338594693 /nfs/dbraw/zinc/59/46/93/338594693.db2.gz GULIYRQOYNNVQB-MRXNPFEDSA-N 2 2 323.440 4.031 20 0 DIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cc2ccoc2)c(C)c1 ZINC000449195356 338601393 /nfs/dbraw/zinc/60/13/93/338601393.db2.gz VCJCPEITQSQHQH-XLIONFOSSA-N 2 2 323.440 4.055 20 0 DIADLP CC(C)(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459444326 339029485 /nfs/dbraw/zinc/02/94/85/339029485.db2.gz NRGUKOMWNHLSNF-SFHVURJKSA-N 2 2 322.443 4.268 20 0 DIADLP CC(C)(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459444319 339029497 /nfs/dbraw/zinc/02/94/97/339029497.db2.gz NRGUKOMWNHLSNF-GOSISDBHSA-N 2 2 322.443 4.268 20 0 DIADLP Cc1cccn2c(C[NH2+][C@H]3c4ccccc4CCC[C@@H]3C)c[nH+]c12 ZINC000462550426 339081230 /nfs/dbraw/zinc/08/12/30/339081230.db2.gz XMWYNCCAMBAPBY-MGPUTAFESA-N 2 2 319.452 4.446 20 0 DIADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC(C)(C)[NH+](C)C ZINC000462896370 339096557 /nfs/dbraw/zinc/09/65/57/339096557.db2.gz NUEKFKNFSHFBRU-HNNXBMFYSA-N 2 2 315.505 4.154 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000463031519 339101881 /nfs/dbraw/zinc/10/18/81/339101881.db2.gz XTTNDGFQPDMTCU-INIZCTEOSA-N 2 2 312.457 4.461 20 0 DIADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCO[C@@H](C(C)C)C3)cc2)c1C ZINC000463035389 339102066 /nfs/dbraw/zinc/10/20/66/339102066.db2.gz HIRMYIVFAFJVCI-PKOBYXMFSA-N 2 2 313.445 4.105 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000463099063 339105694 /nfs/dbraw/zinc/10/56/94/339105694.db2.gz OGPZAGNYUWGBRV-ROUUACIJSA-N 2 2 311.473 4.247 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCCC2(CC2)C1 ZINC000463127521 339106685 /nfs/dbraw/zinc/10/66/85/339106685.db2.gz OIABXYDSNKHXHL-UHFFFAOYSA-N 2 2 311.473 4.391 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCCC2(CC2)C1 ZINC000463127521 339106686 /nfs/dbraw/zinc/10/66/86/339106686.db2.gz OIABXYDSNKHXHL-UHFFFAOYSA-N 2 2 311.473 4.391 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000463132080 339106846 /nfs/dbraw/zinc/10/68/46/339106846.db2.gz QYSZBBDDCLJEIO-OAHLLOKOSA-N 2 2 320.908 4.473 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000463242726 339111496 /nfs/dbraw/zinc/11/14/96/339111496.db2.gz KZGSWXZCXOOZSW-HLIPFELVSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000463242726 339111497 /nfs/dbraw/zinc/11/14/97/339111497.db2.gz KZGSWXZCXOOZSW-HLIPFELVSA-N 2 2 324.468 4.096 20 0 DIADLP CC1CCC(C)(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000463250537 339112054 /nfs/dbraw/zinc/11/20/54/339112054.db2.gz MYIQRMBEXKWUAN-UHFFFAOYSA-N 2 2 320.443 4.209 20 0 DIADLP CC1(C)[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000464084932 339133777 /nfs/dbraw/zinc/13/37/77/339133777.db2.gz LHCGRVCHNLPHRF-OALUTQOASA-N 2 2 323.484 4.446 20 0 DIADLP Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000466387854 339201892 /nfs/dbraw/zinc/20/18/92/339201892.db2.gz VRAYXTMDISIYRH-WGSAOQKQSA-N 2 2 317.436 4.217 20 0 DIADLP c1c(CC[NH2+]C2CCC3(CCCCC3)CC2)[nH+]c2n1CCCC2 ZINC000466745925 339215656 /nfs/dbraw/zinc/21/56/56/339215656.db2.gz YTPRVEYUROGVEI-UHFFFAOYSA-N 2 2 315.505 4.245 20 0 DIADLP C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467452962 339239528 /nfs/dbraw/zinc/23/95/28/339239528.db2.gz JFTFNGPOPCSTPL-DZIBYMRMSA-N 2 2 317.436 4.469 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470971550 339333593 /nfs/dbraw/zinc/33/35/93/339333593.db2.gz ZEXIVTFLUSDFLU-ZFWWWQNUSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470971550 339333594 /nfs/dbraw/zinc/33/35/94/339333594.db2.gz ZEXIVTFLUSDFLU-ZFWWWQNUSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470971550 339333595 /nfs/dbraw/zinc/33/35/95/339333595.db2.gz ZEXIVTFLUSDFLU-ZFWWWQNUSA-N 2 2 324.871 4.204 20 0 DIADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470971550 339333596 /nfs/dbraw/zinc/33/35/96/339333596.db2.gz ZEXIVTFLUSDFLU-ZFWWWQNUSA-N 2 2 324.871 4.204 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471172619 339339500 /nfs/dbraw/zinc/33/95/00/339339500.db2.gz HWTULFDPBKNAHX-GDBMZVCRSA-N 2 2 303.837 4.394 20 0 DIADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471172619 339339501 /nfs/dbraw/zinc/33/95/01/339339501.db2.gz HWTULFDPBKNAHX-GDBMZVCRSA-N 2 2 303.837 4.394 20 0 DIADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000471610628 339349410 /nfs/dbraw/zinc/34/94/10/339349410.db2.gz OGQSOCNBHPLPFG-TWOQFEAHSA-N 2 2 312.457 4.037 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@H](c1ccccc1)[NH+](C)C ZINC000471611813 339349458 /nfs/dbraw/zinc/34/94/58/339349458.db2.gz RIECTHHOZOPXLY-GCKMJXCFSA-N 2 2 324.468 4.059 20 0 DIADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000472057647 339361401 /nfs/dbraw/zinc/36/14/01/339361401.db2.gz AHNKGVHEQHHTTG-FIRPJDEBSA-N 2 2 308.469 4.071 20 0 DIADLP Cc1cccn2c(C[NH2+][C@@H](C)c3cc4cccc(F)c4o3)c[nH+]c12 ZINC000474021817 339397425 /nfs/dbraw/zinc/39/74/25/339397425.db2.gz NWCZBFCNSJOISK-ZDUSSCGKSA-N 2 2 323.371 4.379 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000474030955 339397905 /nfs/dbraw/zinc/39/79/05/339397905.db2.gz GWRNPSYNUQFQDY-YJBOKZPZSA-N 2 2 324.459 4.401 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000474036870 339398261 /nfs/dbraw/zinc/39/82/61/339398261.db2.gz QNEBTOMMCBBLOF-ILXRZTDVSA-N 2 2 302.453 4.053 20 0 DIADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+]1CCCC[C@H]1C ZINC000474036870 339398262 /nfs/dbraw/zinc/39/82/62/339398262.db2.gz QNEBTOMMCBBLOF-ILXRZTDVSA-N 2 2 302.453 4.053 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H](C)C1CCCCC1)CCC2 ZINC000474806049 339427177 /nfs/dbraw/zinc/42/71/77/339427177.db2.gz CXAIERALLYODOG-NUJGCVRESA-N 2 2 303.494 4.263 20 0 DIADLP Cc1ccc(CCC[NH2+]C2(c3cccc(Cl)c3)CC2)c[nH+]1 ZINC000474805734 339427187 /nfs/dbraw/zinc/42/71/87/339427187.db2.gz DIZVVSWEYIEBMY-UHFFFAOYSA-N 2 2 300.833 4.255 20 0 DIADLP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000474808692 339427294 /nfs/dbraw/zinc/42/72/94/339427294.db2.gz MPARVKJQSAQYOB-NHCUHLMSSA-N 2 2 324.468 4.141 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474865944 339429003 /nfs/dbraw/zinc/42/90/03/339429003.db2.gz AZJOGOYKAKVTKP-HUUCEWRRSA-N 2 2 302.849 4.368 20 0 DIADLP Cc1ccc(SC[C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000474925357 339431316 /nfs/dbraw/zinc/43/13/16/339431316.db2.gz KOJBBSHXXBOLEL-QGZVFWFLSA-N 2 2 314.498 4.401 20 0 DIADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc3ncsc3c2)c[nH+]1 ZINC000474947508 339433053 /nfs/dbraw/zinc/43/30/53/339433053.db2.gz YATYHLMPOBRYJP-CQSZACIVSA-N 2 2 311.454 4.283 20 0 DIADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)C1CCSCC1)[NH+](C)C ZINC000475097337 339438666 /nfs/dbraw/zinc/43/86/66/339438666.db2.gz ZBWPQMHBBAJGNU-GJYPPUQNSA-N 2 2 320.546 4.108 20 0 DIADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccccc2C)CC1 ZINC000475501034 339452889 /nfs/dbraw/zinc/45/28/89/339452889.db2.gz HWXLCCVOPUAUPP-UHFFFAOYSA-N 2 2 319.452 4.490 20 0 DIADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@@H](c4cccc(F)c4)C3)n2c1 ZINC000475557956 339455175 /nfs/dbraw/zinc/45/51/75/339455175.db2.gz GDHMHHKMKXMVIS-SJLPKXTDSA-N 2 2 323.415 4.208 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCCC2)cc1 ZINC000479297805 339530727 /nfs/dbraw/zinc/53/07/27/339530727.db2.gz XDWFJMGKXDUECM-PZJWPPBQSA-N 2 2 323.484 4.418 20 0 DIADLP Cc1cc2[nH]c(C[NH2+]CCCCNc3cccc[nH+]3)cc2c(C)c1 ZINC000479565726 339541380 /nfs/dbraw/zinc/54/13/80/339541380.db2.gz AFBCKEITJWIYFO-UHFFFAOYSA-N 2 2 322.456 4.162 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000480143232 339560426 /nfs/dbraw/zinc/56/04/26/339560426.db2.gz OARXGPCPLNXZHA-CQSZACIVSA-N 2 2 324.896 4.264 20 0 DIADLP C[C@H](CCCC(F)(F)F)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000480233634 339564456 /nfs/dbraw/zinc/56/44/56/339564456.db2.gz VJGWJUGYZNIYSI-GFCCVEGCSA-N 2 2 313.367 4.206 20 0 DIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000480762684 339586305 /nfs/dbraw/zinc/58/63/05/339586305.db2.gz KTDMYERLOHUFDA-IRXDYDNUSA-N 2 2 321.424 4.415 20 0 DIADLP CCCCCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000480772234 339586532 /nfs/dbraw/zinc/58/65/32/339586532.db2.gz TVYRPDQXESXNMN-SJORKVTESA-N 2 2 315.461 4.191 20 0 DIADLP Cc1ccc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1C ZINC000481421137 339603839 /nfs/dbraw/zinc/60/38/39/339603839.db2.gz HWFDKRGQIXKTEL-MRXNPFEDSA-N 2 2 307.441 4.463 20 0 DIADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000481424135 339603909 /nfs/dbraw/zinc/60/39/09/339603909.db2.gz OLNVBPGJDAKRMF-CYBMUJFWSA-N 2 2 313.832 4.500 20 0 DIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)CCC2 ZINC000482267634 339628259 /nfs/dbraw/zinc/62/82/59/339628259.db2.gz QAFMMFYFFMGIBQ-INIZCTEOSA-N 2 2 309.457 4.113 20 0 DIADLP CCCC[C@@H](CCC)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000484295879 339684191 /nfs/dbraw/zinc/68/41/91/339684191.db2.gz OQMQNIMVLCCZTD-GOSISDBHSA-N 2 2 317.521 4.242 20 0 DIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000484302592 339684357 /nfs/dbraw/zinc/68/43/57/339684357.db2.gz PSATXVOTLRLGGG-CYBMUJFWSA-N 2 2 323.362 4.253 20 0 DIADLP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000500041076 340049101 /nfs/dbraw/zinc/04/91/01/340049101.db2.gz QKAGDEITWQTOIH-QRFRQXIXSA-N 2 2 316.489 4.000 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500423775 340058126 /nfs/dbraw/zinc/05/81/26/340058126.db2.gz AWAUJZDDQDOFKI-MAUKXSAKSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500423775 340058127 /nfs/dbraw/zinc/05/81/27/340058127.db2.gz AWAUJZDDQDOFKI-MAUKXSAKSA-N 2 2 322.443 4.065 20 0 DIADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC(C)(C)[NH+](C)C ZINC000501391127 340080004 /nfs/dbraw/zinc/08/00/04/340080004.db2.gz WBKNDPNVBHILAP-RAXLEYEMSA-N 2 2 314.395 4.039 20 0 DIADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318918 340099580 /nfs/dbraw/zinc/09/95/80/340099580.db2.gz QJDJBGJWFYKRNV-MJGOQNOKSA-N 2 2 323.484 4.203 20 0 DIADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000502318918 340099581 /nfs/dbraw/zinc/09/95/81/340099581.db2.gz QJDJBGJWFYKRNV-MJGOQNOKSA-N 2 2 323.484 4.203 20 0 DIADLP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321402 340099626 /nfs/dbraw/zinc/09/96/26/340099626.db2.gz NVANNVCEACZKBP-FUKWUPMWSA-N 2 2 321.468 4.112 20 0 DIADLP C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502321402 340099627 /nfs/dbraw/zinc/09/96/27/340099627.db2.gz NVANNVCEACZKBP-FUKWUPMWSA-N 2 2 321.468 4.112 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)oc1C ZINC000502682979 340110235 /nfs/dbraw/zinc/11/02/35/340110235.db2.gz COVTVOAWCWSICV-INIZCTEOSA-N 2 2 300.446 4.069 20 0 DIADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)oc1C ZINC000502682979 340110236 /nfs/dbraw/zinc/11/02/36/340110236.db2.gz COVTVOAWCWSICV-INIZCTEOSA-N 2 2 300.446 4.069 20 0 DIADLP CC[C@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000503040408 340119448 /nfs/dbraw/zinc/11/94/48/340119448.db2.gz ADBMOMWJIUKKBG-QGZVFWFLSA-N 2 2 321.468 4.289 20 0 DIADLP C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070826 340120282 /nfs/dbraw/zinc/12/02/82/340120282.db2.gz DXYOLUXXMUBUNU-UTKZUKDTSA-N 2 2 319.452 4.162 20 0 DIADLP C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070826 340120283 /nfs/dbraw/zinc/12/02/83/340120283.db2.gz DXYOLUXXMUBUNU-UTKZUKDTSA-N 2 2 319.452 4.162 20 0 DIADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407879 340127531 /nfs/dbraw/zinc/12/75/31/340127531.db2.gz RKGGTAIBFUFIIP-DLBZAZTESA-N 2 2 303.494 4.081 20 0 DIADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503407879 340127532 /nfs/dbraw/zinc/12/75/32/340127532.db2.gz RKGGTAIBFUFIIP-DLBZAZTESA-N 2 2 303.494 4.081 20 0 DIADLP CCC(C)(C)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503443714 340128428 /nfs/dbraw/zinc/12/84/28/340128428.db2.gz YKZMDSPDJYSZKX-INIZCTEOSA-N 2 2 303.494 4.225 20 0 DIADLP CCC(C)(C)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503443714 340128429 /nfs/dbraw/zinc/12/84/29/340128429.db2.gz YKZMDSPDJYSZKX-INIZCTEOSA-N 2 2 303.494 4.225 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000503561928 340130752 /nfs/dbraw/zinc/13/07/52/340130752.db2.gz HAUDTIAHSATMRN-WOJBJXKFSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000503561928 340130753 /nfs/dbraw/zinc/13/07/53/340130753.db2.gz HAUDTIAHSATMRN-WOJBJXKFSA-N 2 2 324.443 4.209 20 0 DIADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000504917417 340156031 /nfs/dbraw/zinc/15/60/31/340156031.db2.gz BOAHRJATMZNYOS-FUHWJXTLSA-N 2 2 309.457 4.420 20 0 DIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2c(Cl)oc3ccccc32)CC1 ZINC000506342937 340192791 /nfs/dbraw/zinc/19/27/91/340192791.db2.gz UYHBITCWMMAANH-UHFFFAOYSA-N 2 2 320.864 4.391 20 0 DIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2c(Cl)oc3ccccc32)CC1 ZINC000506342937 340192792 /nfs/dbraw/zinc/19/27/92/340192792.db2.gz UYHBITCWMMAANH-UHFFFAOYSA-N 2 2 320.864 4.391 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000506358140 340193237 /nfs/dbraw/zinc/19/32/37/340193237.db2.gz UNSWEAZARHPPDP-UHFFFAOYSA-N 2 2 324.468 4.397 20 0 DIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468418 340194958 /nfs/dbraw/zinc/19/49/58/340194958.db2.gz DGOABCDAMXPDCB-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468418 340194959 /nfs/dbraw/zinc/19/49/59/340194959.db2.gz DGOABCDAMXPDCB-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468418 340194960 /nfs/dbraw/zinc/19/49/60/340194960.db2.gz DGOABCDAMXPDCB-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468418 340194961 /nfs/dbraw/zinc/19/49/61/340194961.db2.gz DGOABCDAMXPDCB-WMZOPIPTSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468417 340195084 /nfs/dbraw/zinc/19/50/84/340195084.db2.gz DGOABCDAMXPDCB-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000506468417 340195085 /nfs/dbraw/zinc/19/50/85/340195085.db2.gz DGOABCDAMXPDCB-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468417 340195086 /nfs/dbraw/zinc/19/50/86/340195086.db2.gz DGOABCDAMXPDCB-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000506468417 340195087 /nfs/dbraw/zinc/19/50/87/340195087.db2.gz DGOABCDAMXPDCB-SJLPKXTDSA-N 2 2 320.908 4.426 20 0 DIADLP CC[NH+]1CCC([N@H+](C)Cc2sc3ccccc3c2Cl)CC1 ZINC000506690267 340199536 /nfs/dbraw/zinc/19/95/36/340199536.db2.gz OEZBWDSYSZFMTD-UHFFFAOYSA-N 2 2 322.905 4.471 20 0 DIADLP CC[NH+]1CCC([N@@H+](C)Cc2sc3ccccc3c2Cl)CC1 ZINC000506690267 340199537 /nfs/dbraw/zinc/19/95/37/340199537.db2.gz OEZBWDSYSZFMTD-UHFFFAOYSA-N 2 2 322.905 4.471 20 0 DIADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507459036 340220571 /nfs/dbraw/zinc/22/05/71/340220571.db2.gz FHGCWMFSUJWHQB-UKRRQHHQSA-N 2 2 320.443 4.208 20 0 DIADLP CC(C)CC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507460910 340220716 /nfs/dbraw/zinc/22/07/16/340220716.db2.gz JYAIPNXBJUIGIC-UHFFFAOYSA-N 2 2 308.432 4.065 20 0 DIADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507463624 340220805 /nfs/dbraw/zinc/22/08/05/340220805.db2.gz UNQASALMIXLGDO-ZBFHGGJFSA-N 2 2 320.443 4.352 20 0 DIADLP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507465530 340220821 /nfs/dbraw/zinc/22/08/21/340220821.db2.gz BELPEVSSKRQONJ-CABCVRRESA-N 2 2 320.443 4.209 20 0 DIADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000507468832 340221227 /nfs/dbraw/zinc/22/12/27/340221227.db2.gz ISNKKKYYHOBUGQ-IAGOWNOFSA-N 2 2 311.473 4.064 20 0 DIADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000508694575 340250832 /nfs/dbraw/zinc/25/08/32/340250832.db2.gz NSAOPXLXZXQKKK-GOSISDBHSA-N 2 2 306.881 4.099 20 0 DIADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000508694575 340250833 /nfs/dbraw/zinc/25/08/33/340250833.db2.gz NSAOPXLXZXQKKK-GOSISDBHSA-N 2 2 306.881 4.099 20 0 DIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000509603962 340274467 /nfs/dbraw/zinc/27/44/67/340274467.db2.gz SZOHAMIEOPBISS-INIZCTEOSA-N 2 2 318.461 4.128 20 0 DIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000509603962 340274468 /nfs/dbraw/zinc/27/44/68/340274468.db2.gz SZOHAMIEOPBISS-INIZCTEOSA-N 2 2 318.461 4.128 20 0 DIADLP Cc1cc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)ccc1F ZINC000510293808 340295291 /nfs/dbraw/zinc/29/52/91/340295291.db2.gz DHFLNRWHWOVTLP-MRXNPFEDSA-N 2 2 314.448 4.353 20 0 DIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000303056441 340298855 /nfs/dbraw/zinc/29/88/55/340298855.db2.gz WWALBZFMSVULRZ-SFHVURJKSA-N 2 2 320.908 4.284 20 0 DIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000303056441 340298856 /nfs/dbraw/zinc/29/88/56/340298856.db2.gz WWALBZFMSVULRZ-SFHVURJKSA-N 2 2 320.908 4.284 20 0 DIADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303144309 340305299 /nfs/dbraw/zinc/30/52/99/340305299.db2.gz DKPGDCIIRFKMBP-ROUUACIJSA-N 2 2 318.480 4.475 20 0 DIADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303144309 340305300 /nfs/dbraw/zinc/30/53/00/340305300.db2.gz DKPGDCIIRFKMBP-ROUUACIJSA-N 2 2 318.480 4.475 20 0 DIADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510696917 340307076 /nfs/dbraw/zinc/30/70/76/340307076.db2.gz SIHSDFFNKBNPFO-IRXDYDNUSA-N 2 2 317.452 4.243 20 0 DIADLP c1csc([C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)[NH+]2CCCC2)c1 ZINC000510729203 340308329 /nfs/dbraw/zinc/30/83/29/340308329.db2.gz BFLCYDUYMLMISD-ZACQAIPSSA-N 2 2 304.503 4.053 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000510731728 340308510 /nfs/dbraw/zinc/30/85/10/340308510.db2.gz GWGOXQZODCLHOE-BTHPGYMESA-N 2 2 318.480 4.330 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000510731728 340308511 /nfs/dbraw/zinc/30/85/11/340308511.db2.gz GWGOXQZODCLHOE-BTHPGYMESA-N 2 2 318.480 4.330 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)[NH+](C)C)cc1 ZINC000510756918 340309948 /nfs/dbraw/zinc/30/99/48/340309948.db2.gz SUNNPHQRZOMELW-WDSOQIARSA-N 2 2 306.469 4.106 20 0 DIADLP Cn1c(CCC[NH2+]Cc2ccc3occc3c2)[nH+]c2ccccc21 ZINC000512013642 340345389 /nfs/dbraw/zinc/34/53/89/340345389.db2.gz DEPNKBNJPVYKAP-UHFFFAOYSA-N 2 2 319.408 4.042 20 0 DIADLP Clc1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000512993231 340387321 /nfs/dbraw/zinc/38/73/21/340387321.db2.gz QPKTZOYMTSKSOW-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP CCC[C@@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccccc1 ZINC000513047452 340390772 /nfs/dbraw/zinc/39/07/72/340390772.db2.gz RYVWXUYFMXQKHZ-IBGZPJMESA-N 2 2 320.440 4.322 20 0 DIADLP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513233365 340398631 /nfs/dbraw/zinc/39/86/31/340398631.db2.gz LGLLFIGRYDZPSP-LSDHHAIUSA-N 2 2 308.897 4.329 20 0 DIADLP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513233362 340398666 /nfs/dbraw/zinc/39/86/66/340398666.db2.gz LGLLFIGRYDZPSP-CABCVRRESA-N 2 2 308.897 4.329 20 0 DIADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2cncc(C)c2)[NH+]2CCCC2)cc1 ZINC000184330323 340492033 /nfs/dbraw/zinc/49/20/33/340492033.db2.gz ZSYCCAJYBDZZAY-NQIIRXRSSA-N 2 2 323.484 4.186 20 0 DIADLP CC(C)c1nc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cs1 ZINC000186502321 340513772 /nfs/dbraw/zinc/51/37/72/340513772.db2.gz NDYRBOWIJDXGQZ-HUUCEWRRSA-N 2 2 309.523 4.182 20 0 DIADLP CC[NH+](CC)Cc1ccc(NCc2c[nH+]c3cc(C)ccn23)cc1 ZINC000190379962 340544578 /nfs/dbraw/zinc/54/45/78/340544578.db2.gz GHFAODKSPSAZEL-UHFFFAOYSA-N 2 2 322.456 4.097 20 0 DIADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000237768495 340673839 /nfs/dbraw/zinc/67/38/39/340673839.db2.gz NOTLDNIZNNCLGS-UHFFFAOYSA-N 2 2 323.415 4.020 20 0 DIADLP Clc1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000538391886 340820226 /nfs/dbraw/zinc/82/02/26/340820226.db2.gz AGNJDMOZLUMLKS-SFHVURJKSA-N 2 2 317.864 4.448 20 0 DIADLP Clc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000539324647 340881225 /nfs/dbraw/zinc/88/12/25/340881225.db2.gz BMCYZCMQNNMLES-KRWDZBQOSA-N 2 2 303.837 4.058 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000541914503 340989190 /nfs/dbraw/zinc/98/91/90/340989190.db2.gz YXENQEMJJIQLNB-SFHVURJKSA-N 2 2 304.384 4.198 20 0 DIADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133073 340996576 /nfs/dbraw/zinc/99/65/76/340996576.db2.gz NYWFYTKKFUPJQF-INIZCTEOSA-N 2 2 315.436 4.276 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000542211901 341000459 /nfs/dbraw/zinc/00/04/59/341000459.db2.gz WRPQMPAQBHNLFU-LJQANCHMSA-N 2 2 318.892 4.278 20 0 DIADLP CC(C)Sc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000543198586 341036487 /nfs/dbraw/zinc/03/64/87/341036487.db2.gz WTVHLSFGAVGMLD-UHFFFAOYSA-N 2 2 318.530 4.247 20 0 DIADLP CC(C)Sc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000543198586 341036488 /nfs/dbraw/zinc/03/64/88/341036488.db2.gz WTVHLSFGAVGMLD-UHFFFAOYSA-N 2 2 318.530 4.247 20 0 DIADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394656 341041905 /nfs/dbraw/zinc/04/19/05/341041905.db2.gz XEJRMIRFRZJZMJ-KEYYUXOJSA-N 2 2 301.459 4.087 20 0 DIADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543394656 341041906 /nfs/dbraw/zinc/04/19/06/341041906.db2.gz XEJRMIRFRZJZMJ-KEYYUXOJSA-N 2 2 301.459 4.087 20 0 DIADLP CC[C@@H](C)[C@@H](C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395550 341042059 /nfs/dbraw/zinc/04/20/59/341042059.db2.gz ITAZFWBOXHMHTQ-ZIAGYGMSSA-N 2 2 303.475 4.333 20 0 DIADLP CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000543395550 341042060 /nfs/dbraw/zinc/04/20/60/341042060.db2.gz ITAZFWBOXHMHTQ-ZIAGYGMSSA-N 2 2 303.475 4.333 20 0 DIADLP CC(C)[NH+](CCC[NH2+][C@H](c1ccco1)c1ccccc1)C(C)C ZINC000543400226 341042241 /nfs/dbraw/zinc/04/22/41/341042241.db2.gz VAYTVATWQJWKTK-FQEVSTJZSA-N 2 2 314.473 4.468 20 0 DIADLP Cc1ccc([C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C2CCC2)o1 ZINC000543601888 341050672 /nfs/dbraw/zinc/05/06/72/341050672.db2.gz KZJPPAYQDPLCFC-HXUWFJFHSA-N 2 2 323.440 4.377 20 0 DIADLP CC(C)=CCC[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132154390 341117365 /nfs/dbraw/zinc/11/73/65/341117365.db2.gz BMCUDEQSTALEGI-GOSISDBHSA-N 2 2 311.473 4.198 20 0 DIADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000545866071 341143532 /nfs/dbraw/zinc/14/35/32/341143532.db2.gz UBNMGLXORJMTSJ-SFHVURJKSA-N 2 2 321.468 4.051 20 0 DIADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000545866071 341143533 /nfs/dbraw/zinc/14/35/33/341143533.db2.gz UBNMGLXORJMTSJ-SFHVURJKSA-N 2 2 321.468 4.051 20 0 DIADLP CCC(CC)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546606280 341174517 /nfs/dbraw/zinc/17/45/17/341174517.db2.gz UEJHGRJHNHCASJ-DYVFJYSZSA-N 2 2 312.860 4.250 20 0 DIADLP CCC(CC)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546606280 341174518 /nfs/dbraw/zinc/17/45/18/341174518.db2.gz UEJHGRJHNHCASJ-DYVFJYSZSA-N 2 2 312.860 4.250 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000133948124 341202331 /nfs/dbraw/zinc/20/23/31/341202331.db2.gz PSAWBKZVMPEDJM-JRGCBEDISA-N 2 2 308.469 4.157 20 0 DIADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000133948124 341202332 /nfs/dbraw/zinc/20/23/32/341202332.db2.gz PSAWBKZVMPEDJM-JRGCBEDISA-N 2 2 308.469 4.157 20 0 DIADLP Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000134231021 341210294 /nfs/dbraw/zinc/21/02/94/341210294.db2.gz DEZWJGOPHVXEQX-ZIAGYGMSSA-N 2 2 312.442 4.049 20 0 DIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(C(C)C)n1 ZINC000547842954 341237053 /nfs/dbraw/zinc/23/70/53/341237053.db2.gz DFBZVWNJKNKOPJ-NVXWUHKLSA-N 2 2 323.550 4.257 20 0 DIADLP CC(C)CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000549143359 341287157 /nfs/dbraw/zinc/28/71/57/341287157.db2.gz YMIXFYWSBAEFQY-HXUWFJFHSA-N 2 2 311.473 4.236 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143769 341287163 /nfs/dbraw/zinc/28/71/63/341287163.db2.gz OXITXZNMPBEWAQ-XGARDCMYSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549143769 341287164 /nfs/dbraw/zinc/28/71/64/341287164.db2.gz OXITXZNMPBEWAQ-XGARDCMYSA-N 2 2 320.480 4.043 20 0 DIADLP Cc1c2cccc(Cl)c2sc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000550097394 341309861 /nfs/dbraw/zinc/30/98/61/341309861.db2.gz OSXBYLIQCIZEJS-NSHDSACASA-N 2 2 319.861 4.238 20 0 DIADLP C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000245700963 341310494 /nfs/dbraw/zinc/31/04/94/341310494.db2.gz RLFMJOAMAOWVEP-OXJNMPFZSA-N 2 2 305.425 4.119 20 0 DIADLP C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000245700963 341310495 /nfs/dbraw/zinc/31/04/95/341310495.db2.gz RLFMJOAMAOWVEP-OXJNMPFZSA-N 2 2 305.425 4.119 20 0 DIADLP C[C@@H]1CC[N@H+](C/C=C/c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245701254 341310613 /nfs/dbraw/zinc/31/06/13/341310613.db2.gz BNSLIFZWULTCSB-YPXCQQABSA-N 2 2 315.848 4.133 20 0 DIADLP C[C@@H]1CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245701254 341310614 /nfs/dbraw/zinc/31/06/14/341310614.db2.gz BNSLIFZWULTCSB-YPXCQQABSA-N 2 2 315.848 4.133 20 0 DIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCC23CCCC3)[nH+]1 ZINC000550614027 341319477 /nfs/dbraw/zinc/31/94/77/341319477.db2.gz NUUKEIGSENCIFM-IBGZPJMESA-N 2 2 323.484 4.176 20 0 DIADLP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1N[C@@H](C)c1[nH+]ccn1C ZINC000246212355 341334197 /nfs/dbraw/zinc/33/41/97/341334197.db2.gz XLCXFRRMOZQQKJ-CVEARBPZSA-N 2 2 312.461 4.280 20 0 DIADLP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1N[C@@H](C)c1[nH+]ccn1C ZINC000246212355 341334198 /nfs/dbraw/zinc/33/41/98/341334198.db2.gz XLCXFRRMOZQQKJ-CVEARBPZSA-N 2 2 312.461 4.280 20 0 DIADLP CC[NH+](CC)Cc1cccc(NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000551572961 341345985 /nfs/dbraw/zinc/34/59/85/341345985.db2.gz WWOYRZOHIDRNIS-UHFFFAOYSA-N 2 2 322.456 4.097 20 0 DIADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H](C)c1ccc(Cl)cc1 ZINC000551572870 341346008 /nfs/dbraw/zinc/34/60/08/341346008.db2.gz XOOCOASLMYNDQJ-ZIAGYGMSSA-N 2 2 317.864 4.155 20 0 DIADLP Cc1ccccc1C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000551790085 341351704 /nfs/dbraw/zinc/35/17/04/341351704.db2.gz WWKJSAOGYFHXRE-FQEVSTJZSA-N 2 2 323.484 4.193 20 0 DIADLP COc1ccc([C@H](C[NH2+]C2CCC(C)CC2)[NH+]2CCCC2)cc1 ZINC000551953984 341356067 /nfs/dbraw/zinc/35/60/67/341356067.db2.gz MRKHRWNNPFNNHI-NLPFYKDJSA-N 2 2 316.489 4.000 20 0 DIADLP C[NH+](C)C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000246933862 341358849 /nfs/dbraw/zinc/35/88/49/341358849.db2.gz NVCSFKONKDEORX-PMPSAXMXSA-N 2 2 314.395 4.000 20 0 DIADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552037863 341363897 /nfs/dbraw/zinc/36/38/97/341363897.db2.gz VVXTYXACEFYMBH-MOPGFXCFSA-N 2 2 320.908 4.329 20 0 DIADLP C[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247699074 341369271 /nfs/dbraw/zinc/36/92/71/341369271.db2.gz UICDMFNNXXZLAK-OXQOHEQNSA-N 2 2 305.425 4.119 20 0 DIADLP C[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247699074 341369272 /nfs/dbraw/zinc/36/92/72/341369272.db2.gz UICDMFNNXXZLAK-OXQOHEQNSA-N 2 2 305.425 4.119 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1C ZINC000566499355 341560096 /nfs/dbraw/zinc/56/00/96/341560096.db2.gz QSZMMUGYNNALEU-DOTOQJQBSA-N 2 2 317.864 4.198 20 0 DIADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(Cl)c3ccccc32)n1C ZINC000567368190 341599212 /nfs/dbraw/zinc/59/92/12/341599212.db2.gz OEYVEVNORTYUEG-LBPRGKRZSA-N 2 2 313.832 4.386 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000155713966 341611777 /nfs/dbraw/zinc/61/17/77/341611777.db2.gz OXCWRUWKOHAVRQ-INIZCTEOSA-N 2 2 307.397 4.026 20 0 DIADLP Cc1c[nH+]ccc1CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000568877033 341684071 /nfs/dbraw/zinc/68/40/71/341684071.db2.gz NFGXBEOIXUAYQV-UHFFFAOYSA-N 2 2 320.358 4.230 20 0 DIADLP CC[C@@H](C)[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(Cl)cc1 ZINC000577231052 341899061 /nfs/dbraw/zinc/89/90/61/341899061.db2.gz CLGYLEGGVXSIAO-SJKOYZFVSA-N 2 2 305.853 4.259 20 0 DIADLP C(C[NH+]1CCC2(CCCC2)CC1)[NH+]1CCC2(CCCC2)CC1 ZINC000577783962 341936562 /nfs/dbraw/zinc/93/65/62/341936562.db2.gz HGFRAKVWEHACFA-UHFFFAOYSA-N 2 2 304.522 4.299 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000177933359 341939969 /nfs/dbraw/zinc/93/99/69/341939969.db2.gz QTQKFXPFLOHKDB-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000577900975 341947539 /nfs/dbraw/zinc/94/75/39/341947539.db2.gz XHYFHURYNFCYED-IBGZPJMESA-N 2 2 300.421 4.449 20 0 DIADLP CC(C)CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccoc1 ZINC000367618725 519683474 /nfs/dbraw/zinc/68/34/74/519683474.db2.gz UHGFXYYNVZIEIO-QGZVFWFLSA-N 2 2 301.434 4.080 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)c1 ZINC000337277998 522801650 /nfs/dbraw/zinc/80/16/50/522801650.db2.gz FXRSEYTVTIBGJC-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)c1 ZINC000337277998 522801659 /nfs/dbraw/zinc/80/16/59/522801659.db2.gz FXRSEYTVTIBGJC-UHFFFAOYSA-N 2 2 305.425 4.072 20 0 DIADLP CC[C@@](C)([NH2+]CCCc1ccc(C)[nH+]c1)c1nc(C)cs1 ZINC000354514854 523658881 /nfs/dbraw/zinc/65/88/81/523658881.db2.gz RZOFGOHBGPPJIH-QGZVFWFLSA-N 2 2 303.475 4.003 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000190942284 525641540 /nfs/dbraw/zinc/64/15/40/525641540.db2.gz WRCFYWTZFISDKO-RDTXWAMCSA-N 2 2 307.397 4.194 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc3ccccc3o1)CCC2 ZINC000366236833 525937848 /nfs/dbraw/zinc/93/78/48/525937848.db2.gz VJIOADRMBUKFTJ-GDBMZVCRSA-N 2 2 309.413 4.166 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@](C)(c3ccccc3)C1)CCC2 ZINC000364158957 525939114 /nfs/dbraw/zinc/93/91/14/525939114.db2.gz WMLMXRSNRJPTDQ-HFSMHLIXSA-N 2 2 323.484 4.169 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@](C)(c3ccccc3)C1)CCC2 ZINC000364158950 525939707 /nfs/dbraw/zinc/93/97/07/525939707.db2.gz WMLMXRSNRJPTDQ-CUWPLCDZSA-N 2 2 323.484 4.169 20 0 DIADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(C4CCC4)cc3)cc2)c[nH+]1 ZINC000339205574 526524709 /nfs/dbraw/zinc/52/47/09/526524709.db2.gz UOXLXKIVVJGONK-UHFFFAOYSA-N 2 2 317.436 4.430 20 0 DIADLP c1csc(C[NH+](CCCn2cc[nH+]c2)Cc2cccs2)c1 ZINC000182661260 526578641 /nfs/dbraw/zinc/57/86/41/526578641.db2.gz ACYFKDUAQHSVNE-UHFFFAOYSA-N 2 2 317.483 4.099 20 0 DIADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)n1-c1ccccc1 ZINC000337250335 527271938 /nfs/dbraw/zinc/27/19/38/527271938.db2.gz JZPDKFASADCRIO-HNNXBMFYSA-N 2 2 319.399 4.096 20 0 DIADLP CC[NH+](CC)CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001167054847 1035617556 /nfs/dbraw/zinc/61/75/56/1035617556.db2.gz NHTSXEOIBBDCBG-UHFFFAOYSA-N 2 2 303.277 4.157 20 0 DIADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001167054847 1035617562 /nfs/dbraw/zinc/61/75/62/1035617562.db2.gz NHTSXEOIBBDCBG-UHFFFAOYSA-N 2 2 303.277 4.157 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1Cl ZINC000179452577 1035873336 /nfs/dbraw/zinc/87/33/36/1035873336.db2.gz KXEOQXQFCQUPHV-HNNXBMFYSA-N 2 2 310.228 4.027 20 0 DIADLP Clc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1Cl ZINC000179452577 1035873361 /nfs/dbraw/zinc/87/33/61/1035873361.db2.gz KXEOQXQFCQUPHV-HNNXBMFYSA-N 2 2 310.228 4.027 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)cc(Cl)cc1C)CCC2 ZINC000339790321 1035962256 /nfs/dbraw/zinc/96/22/56/1035962256.db2.gz RLAUNKPJZCGEFU-HNNXBMFYSA-N 2 2 317.864 4.129 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155110200 1036128845 /nfs/dbraw/zinc/12/88/45/1036128845.db2.gz IEGGCIOOBBDOIG-JLTOFOAXSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)sc1Cl ZINC000222566000 1036225075 /nfs/dbraw/zinc/22/50/75/1036225075.db2.gz CCBWXMZUZNPSBF-JTQLQIEISA-N 2 2 318.273 4.382 20 0 DIADLP CC(C)C1CC([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)C1 ZINC000754103128 1036249990 /nfs/dbraw/zinc/24/99/90/1036249990.db2.gz VYSNSACESJEYEM-UHFFFAOYSA-N 2 2 315.505 4.064 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000651959298 1036379064 /nfs/dbraw/zinc/37/90/64/1036379064.db2.gz HGPYQCHQTWBJMP-GOSISDBHSA-N 2 2 309.438 4.019 20 0 DIADLP C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027399784 1036642596 /nfs/dbraw/zinc/64/25/96/1036642596.db2.gz XSYVJSOQVMCNFU-DOXZYTNZSA-N 2 2 321.424 4.440 20 0 DIADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000683690740 1036710959 /nfs/dbraw/zinc/71/09/59/1036710959.db2.gz PPKCYGISVQTRHC-KBAYOESNSA-N 2 2 311.473 4.118 20 0 DIADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000580920997 1037361508 /nfs/dbraw/zinc/36/15/08/1037361508.db2.gz AQHMOHXPDLDJCU-UXHICEINSA-N 2 2 311.473 4.236 20 0 DIADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000580930231 1037365893 /nfs/dbraw/zinc/36/58/93/1037365893.db2.gz PEXRCCJZHVDVOV-INIZCTEOSA-N 2 2 321.534 4.107 20 0 DIADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000580930231 1037365904 /nfs/dbraw/zinc/36/59/04/1037365904.db2.gz PEXRCCJZHVDVOV-INIZCTEOSA-N 2 2 321.534 4.107 20 0 DIADLP CC[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000580978832 1037394160 /nfs/dbraw/zinc/39/41/60/1037394160.db2.gz KFFVQNSYFMMJDK-GOSISDBHSA-N 2 2 319.452 4.215 20 0 DIADLP Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001167452718 1037505140 /nfs/dbraw/zinc/50/51/40/1037505140.db2.gz FMDPUNYKZAAEHP-SFHVURJKSA-N 2 2 319.452 4.244 20 0 DIADLP Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001167452718 1037505151 /nfs/dbraw/zinc/50/51/51/1037505151.db2.gz FMDPUNYKZAAEHP-SFHVURJKSA-N 2 2 319.452 4.244 20 0 DIADLP Cc1cc[nH+]c(NCc2ccc(-n3cc[nH+]c3)cc2)c1C1CC1 ZINC000656779866 1037858995 /nfs/dbraw/zinc/85/89/95/1037858995.db2.gz WJFQPMYSUUXKQO-UHFFFAOYSA-N 2 2 304.397 4.065 20 0 DIADLP CC(C)CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000341456414 1038044780 /nfs/dbraw/zinc/04/47/80/1038044780.db2.gz APYGKAKDZNQXLE-KRWDZBQOSA-N 2 2 305.853 4.304 20 0 DIADLP Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000090418410 1038114074 /nfs/dbraw/zinc/11/40/74/1038114074.db2.gz KSMOOAYNIHRHIG-CHWSQXEVSA-N 2 2 312.442 4.049 20 0 DIADLP FC(F)(F)c1cccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCC2)c1 ZINC000342024978 1038368411 /nfs/dbraw/zinc/36/84/11/1038368411.db2.gz SZUSSYGHLFBDLN-MRXNPFEDSA-N 2 2 323.362 4.033 20 0 DIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000604414866 1038412427 /nfs/dbraw/zinc/41/24/27/1038412427.db2.gz IJRYXTPBKKLKFE-UHFFFAOYSA-N 2 2 318.436 4.214 20 0 DIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000604414866 1038412435 /nfs/dbraw/zinc/41/24/35/1038412435.db2.gz IJRYXTPBKKLKFE-UHFFFAOYSA-N 2 2 318.436 4.214 20 0 DIADLP COc1ccc([C@H](CCC(C)C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151112380 1038432101 /nfs/dbraw/zinc/43/21/01/1038432101.db2.gz FYPAXXVDZOEWJO-IBGZPJMESA-N 2 2 315.461 4.049 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCS2 ZINC000151142716 1038432218 /nfs/dbraw/zinc/43/22/18/1038432218.db2.gz ASMOSDFXCCCWIS-HNNXBMFYSA-N 2 2 321.877 4.143 20 0 DIADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000151309072 1038437041 /nfs/dbraw/zinc/43/70/41/1038437041.db2.gz AEEXYZNFXFADIB-NRFANRHFSA-N 2 2 319.452 4.481 20 0 DIADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000151328645 1038437565 /nfs/dbraw/zinc/43/75/65/1038437565.db2.gz QMGGQFHELZRTOV-QGZVFWFLSA-N 2 2 311.454 4.234 20 0 DIADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000342348574 1038547812 /nfs/dbraw/zinc/54/78/12/1038547812.db2.gz LUONLHFPJAFJMI-UHFFFAOYSA-N 2 2 314.820 4.285 20 0 DIADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000152259686 1038598673 /nfs/dbraw/zinc/59/86/73/1038598673.db2.gz HKJBSJBRFURPOD-GOSISDBHSA-N 2 2 309.388 4.252 20 0 DIADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000342475766 1038627612 /nfs/dbraw/zinc/62/76/12/1038627612.db2.gz YYIIFGRRVMDXKT-KRWDZBQOSA-N 2 2 301.434 4.046 20 0 DIADLP CCc1ccc([C@@H]2CCCCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000342475766 1038627615 /nfs/dbraw/zinc/62/76/15/1038627615.db2.gz YYIIFGRRVMDXKT-KRWDZBQOSA-N 2 2 301.434 4.046 20 0 DIADLP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1c[nH+]c2n1CCC2 ZINC000657411122 1038652038 /nfs/dbraw/zinc/65/20/38/1038652038.db2.gz BWDAGKUWYVHUPX-MRXNPFEDSA-N 2 2 324.472 4.129 20 0 DIADLP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1c[nH+]c2n1CCC2 ZINC000657411122 1038652042 /nfs/dbraw/zinc/65/20/42/1038652042.db2.gz BWDAGKUWYVHUPX-MRXNPFEDSA-N 2 2 324.472 4.129 20 0 DIADLP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000607168162 1038661307 /nfs/dbraw/zinc/66/13/07/1038661307.db2.gz LBMXNXXLWOUQER-GOEBONIOSA-N 2 2 301.409 4.070 20 0 DIADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000152826301 1038724062 /nfs/dbraw/zinc/72/40/62/1038724062.db2.gz USFZRCXNILDKTO-KRWDZBQOSA-N 2 2 317.864 4.156 20 0 DIADLP Cc1cc(C)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000075758113 1038822869 /nfs/dbraw/zinc/82/28/69/1038822869.db2.gz ZFAYWKXLCPRMFX-UHFFFAOYSA-N 2 2 319.452 4.146 20 0 DIADLP Cc1[nH]c(CNc2cc(O[C@@H](C)c3ccccc3)cc[nH+]2)[nH+]c1C ZINC000657618443 1038918330 /nfs/dbraw/zinc/91/83/30/1038918330.db2.gz UEVUBUYYIQDFLI-HNNXBMFYSA-N 2 2 322.412 4.174 20 0 DIADLP c1ccc(NC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)[nH+]c1 ZINC000534129654 1038990802 /nfs/dbraw/zinc/99/08/02/1038990802.db2.gz YEAXYOYIYDZRTM-IBGZPJMESA-N 2 2 307.441 4.036 20 0 DIADLP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153653019 1039075430 /nfs/dbraw/zinc/07/54/30/1039075430.db2.gz FLFGIHSFKOBYRE-CYBMUJFWSA-N 2 2 315.417 4.232 20 0 DIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000343096584 1039193548 /nfs/dbraw/zinc/19/35/48/1039193548.db2.gz RRCPISKSFHNEBY-GOSISDBHSA-N 2 2 323.827 4.303 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CC[N@@H+]1Cc1ccccc1 ZINC000359100952 1039247342 /nfs/dbraw/zinc/24/73/42/1039247342.db2.gz BLFASJRJGCZVIQ-YVWKXTFCSA-N 2 2 324.468 4.300 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CC[N@H+]1Cc1ccccc1 ZINC000359100952 1039247355 /nfs/dbraw/zinc/24/73/55/1039247355.db2.gz BLFASJRJGCZVIQ-YVWKXTFCSA-N 2 2 324.468 4.300 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CC[N@@H+]1Cc1ccccc1 ZINC000359100949 1039249303 /nfs/dbraw/zinc/24/93/03/1039249303.db2.gz BLFASJRJGCZVIQ-IMFGXOCKSA-N 2 2 324.468 4.300 20 0 DIADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CC[N@H+]1Cc1ccccc1 ZINC000359100949 1039249316 /nfs/dbraw/zinc/24/93/16/1039249316.db2.gz BLFASJRJGCZVIQ-IMFGXOCKSA-N 2 2 324.468 4.300 20 0 DIADLP CC(C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000125457673 1039251681 /nfs/dbraw/zinc/25/16/81/1039251681.db2.gz IAPHGWBIXBKRKA-UHFFFAOYSA-N 2 2 305.425 4.096 20 0 DIADLP CC(C)C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccncc1 ZINC000647284191 1039257080 /nfs/dbraw/zinc/25/70/80/1039257080.db2.gz HBXGTZMJUAXFFE-LJQANCHMSA-N 2 2 320.440 4.144 20 0 DIADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000539493005 1039274560 /nfs/dbraw/zinc/27/45/60/1039274560.db2.gz FKSKCZMUZRSYGQ-QGZVFWFLSA-N 2 2 321.424 4.416 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000539495866 1039275973 /nfs/dbraw/zinc/27/59/73/1039275973.db2.gz GSHPODPXUJTELE-OWCLPIDISA-N 2 2 314.473 4.437 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000539495866 1039275981 /nfs/dbraw/zinc/27/59/81/1039275981.db2.gz GSHPODPXUJTELE-OWCLPIDISA-N 2 2 314.473 4.437 20 0 DIADLP C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647290503 1039311508 /nfs/dbraw/zinc/31/15/08/1039311508.db2.gz JAXZNBCRAGOCAN-CYBMUJFWSA-N 2 2 305.372 4.101 20 0 DIADLP Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000126938875 1039413363 /nfs/dbraw/zinc/41/33/63/1039413363.db2.gz URTOLIQORVGANH-OLZOCXBDSA-N 2 2 312.442 4.049 20 0 DIADLP Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000126938434 1039413887 /nfs/dbraw/zinc/41/38/87/1039413887.db2.gz URTOLIQORVGANH-STQMWFEESA-N 2 2 312.442 4.049 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000540172183 1039436587 /nfs/dbraw/zinc/43/65/87/1039436587.db2.gz QWRFKSVTEAZUTL-QBIMZIAESA-N 2 2 318.461 4.049 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC[N@H+]1C ZINC000540172183 1039436601 /nfs/dbraw/zinc/43/66/01/1039436601.db2.gz QWRFKSVTEAZUTL-QBIMZIAESA-N 2 2 318.461 4.049 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000540172182 1039436884 /nfs/dbraw/zinc/43/68/84/1039436884.db2.gz QWRFKSVTEAZUTL-MZMPZRCHSA-N 2 2 318.461 4.049 20 0 DIADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC[N@H+]1C ZINC000540172182 1039436891 /nfs/dbraw/zinc/43/68/91/1039436891.db2.gz QWRFKSVTEAZUTL-MZMPZRCHSA-N 2 2 318.461 4.049 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151308864 1039536356 /nfs/dbraw/zinc/53/63/56/1039536356.db2.gz LUCYHWICCOOIBJ-KRWDZBQOSA-N 2 2 319.452 4.345 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000151312389 1039540027 /nfs/dbraw/zinc/54/00/27/1039540027.db2.gz XKTFCMNBQAUPIF-SFHVURJKSA-N 2 2 319.452 4.399 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000540987141 1039604450 /nfs/dbraw/zinc/60/44/50/1039604450.db2.gz UKCIPJGOPHOSMC-JDFRZJQESA-N 2 2 312.860 4.249 20 0 DIADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000540987141 1039604462 /nfs/dbraw/zinc/60/44/62/1039604462.db2.gz UKCIPJGOPHOSMC-JDFRZJQESA-N 2 2 312.860 4.249 20 0 DIADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000151710047 1039639364 /nfs/dbraw/zinc/63/93/64/1039639364.db2.gz ZFCWHDLUINEUIB-HUUCEWRRSA-N 2 2 309.388 4.423 20 0 DIADLP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089613669 1039775530 /nfs/dbraw/zinc/77/55/30/1039775530.db2.gz FPCQGVIXVTUKBI-QYWGDWMGSA-N 2 2 317.436 4.456 20 0 DIADLP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089613666 1039777062 /nfs/dbraw/zinc/77/70/62/1039777062.db2.gz FPCQGVIXVTUKBI-CKJXQJPGSA-N 2 2 317.436 4.456 20 0 DIADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542131518 1039799807 /nfs/dbraw/zinc/79/98/07/1039799807.db2.gz HFLPUJURRMAHKJ-MRXNPFEDSA-N 2 2 315.436 4.276 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(C)noc1C ZINC000090887165 1039802523 /nfs/dbraw/zinc/80/25/23/1039802523.db2.gz JODZHOSBRKUPJG-SFHVURJKSA-N 2 2 319.493 4.129 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1F ZINC000090963649 1039807862 /nfs/dbraw/zinc/80/78/62/1039807862.db2.gz GOFQHVXMVAYECM-CQSZACIVSA-N 2 2 322.443 4.413 20 0 DIADLP C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151662387 1039851030 /nfs/dbraw/zinc/85/10/30/1039851030.db2.gz RHXXJGGAYAENDR-LSDHHAIUSA-N 2 2 311.454 4.216 20 0 DIADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc2ccccc21 ZINC000685662143 1040204655 /nfs/dbraw/zinc/20/46/55/1040204655.db2.gz KJZCXGIBVXVSQZ-MAUKXSAKSA-N 2 2 305.425 4.161 20 0 DIADLP COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000658353167 1040434945 /nfs/dbraw/zinc/43/49/45/1040434945.db2.gz KYZLAOUMASYBCH-INIZCTEOSA-N 2 2 321.424 4.040 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590393 1040723904 /nfs/dbraw/zinc/72/39/04/1040723904.db2.gz MUSNMWADQZDBRX-RWMBFGLXSA-N 2 2 313.272 4.271 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000161590393 1040723913 /nfs/dbraw/zinc/72/39/13/1040723913.db2.gz MUSNMWADQZDBRX-RWMBFGLXSA-N 2 2 313.272 4.271 20 0 DIADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414047449 1040790423 /nfs/dbraw/zinc/79/04/23/1040790423.db2.gz BXNWFPZOXPERIB-AEFFLSMTSA-N 2 2 317.864 4.243 20 0 DIADLP Clc1ccc([C@H]2CCC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000414054994 1040798120 /nfs/dbraw/zinc/79/81/20/1040798120.db2.gz OADHNSGPKZZIBI-FUHWJXTLSA-N 2 2 317.864 4.243 20 0 DIADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000423231369 1041211819 /nfs/dbraw/zinc/21/18/19/1041211819.db2.gz AUCPWIJVUBRXMB-ADNDVJRGSA-N 2 2 314.395 4.033 20 0 DIADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC(C)(C)C)CC2)cc1 ZINC000812833993 1041654593 /nfs/dbraw/zinc/65/45/93/1041654593.db2.gz FXHHZNFEXRRZPM-UHFFFAOYSA-N 2 2 317.521 4.137 20 0 DIADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1 ZINC000319216461 1041718702 /nfs/dbraw/zinc/71/87/02/1041718702.db2.gz MMGZPYLNAIHOTL-IRXDYDNUSA-N 2 2 303.425 4.178 20 0 DIADLP CSCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC001648927467 1041759734 /nfs/dbraw/zinc/75/97/34/1041759734.db2.gz WQEHIYXASSWESP-UHFFFAOYSA-N 2 2 323.465 4.025 20 0 DIADLP C[N@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001170747084 1041819035 /nfs/dbraw/zinc/81/90/35/1041819035.db2.gz QZQBGWWMYNYJGW-OWZKRDHZSA-N 2 2 312.501 4.017 20 0 DIADLP C[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001170747084 1041819043 /nfs/dbraw/zinc/81/90/43/1041819043.db2.gz QZQBGWWMYNYJGW-OWZKRDHZSA-N 2 2 312.501 4.017 20 0 DIADLP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000651741630 1041900247 /nfs/dbraw/zinc/90/02/47/1041900247.db2.gz QJKTUGFJUHGUSQ-PWIZWCRZSA-N 2 2 315.505 4.165 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651750075 1041901893 /nfs/dbraw/zinc/90/18/93/1041901893.db2.gz VHCACCSYPUXQMI-QGZVFWFLSA-N 2 2 323.484 4.274 20 0 DIADLP CCC1([NH3+])CC[NH+]([C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000925755539 1042088201 /nfs/dbraw/zinc/08/82/01/1042088201.db2.gz FPHSJFDKVQDSLV-CQSZACIVSA-N 2 2 315.486 4.074 20 0 DIADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1F ZINC000161523216 1042110196 /nfs/dbraw/zinc/11/01/96/1042110196.db2.gz UEGROCFUAJNWLR-MRXNPFEDSA-N 2 2 310.844 4.147 20 0 DIADLP C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390911005 1042255061 /nfs/dbraw/zinc/25/50/61/1042255061.db2.gz OSWYGOVOCJLKPW-GOEBONIOSA-N 2 2 319.399 4.348 20 0 DIADLP CCCCCC(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000236838793 1042297531 /nfs/dbraw/zinc/29/75/31/1042297531.db2.gz JEAPUGMEZDFSGN-UHFFFAOYSA-N 2 2 303.494 4.247 20 0 DIADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152094948 1042413794 /nfs/dbraw/zinc/41/37/94/1042413794.db2.gz DGUHZRUPPOLJIY-KRWDZBQOSA-N 2 2 319.452 4.345 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152221653 1042434349 /nfs/dbraw/zinc/43/43/49/1042434349.db2.gz QXVROGJLRAWCDQ-MRXNPFEDSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513503377 1042549277 /nfs/dbraw/zinc/54/92/77/1042549277.db2.gz PSDPSNLHWJVTJG-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513503377 1042549280 /nfs/dbraw/zinc/54/92/80/1042549280.db2.gz PSDPSNLHWJVTJG-UHFFFAOYSA-N 2 2 308.469 4.091 20 0 DIADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422758224 1042689120 /nfs/dbraw/zinc/68/91/20/1042689120.db2.gz IMZNSALBHIWNCP-OKZBNKHCSA-N 2 2 302.368 4.150 20 0 DIADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000422765595 1042689898 /nfs/dbraw/zinc/68/98/98/1042689898.db2.gz QMBJLXHIAGVCPD-QFUCXCTJSA-N 2 2 323.484 4.071 20 0 DIADLP CCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422876542 1042691481 /nfs/dbraw/zinc/69/14/81/1042691481.db2.gz QIIAOCCVRHUJHZ-OALUTQOASA-N 2 2 310.441 4.018 20 0 DIADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422883374 1042691615 /nfs/dbraw/zinc/69/16/15/1042691615.db2.gz UZEBMZKYTVIOLA-FHWLQOOXSA-N 2 2 310.441 4.271 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OC(C)C)c1 ZINC000422870157 1042692572 /nfs/dbraw/zinc/69/25/72/1042692572.db2.gz BFCUBTDHGPCMCM-MOPGFXCFSA-N 2 2 310.441 4.017 20 0 DIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCS2 ZINC000423239334 1042700644 /nfs/dbraw/zinc/70/06/44/1042700644.db2.gz JVCWYWSVYQHVNL-ROUUACIJSA-N 2 2 312.482 4.130 20 0 DIADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCS2 ZINC000423239332 1042700669 /nfs/dbraw/zinc/70/06/69/1042700669.db2.gz JVCWYWSVYQHVNL-QZTJIDSGSA-N 2 2 312.482 4.130 20 0 DIADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000423250367 1042702889 /nfs/dbraw/zinc/70/28/89/1042702889.db2.gz UVUMYCMICNGBCM-LRDDRELGSA-N 2 2 308.347 4.056 20 0 DIADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423250108 1042703556 /nfs/dbraw/zinc/70/35/56/1042703556.db2.gz UQBGZECZUYOZFB-PBHICJAKSA-N 2 2 300.471 4.149 20 0 DIADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000423250042 1042703564 /nfs/dbraw/zinc/70/35/64/1042703564.db2.gz UJBXYCKKEOIDKU-FPOVZHCZSA-N 2 2 323.484 4.346 20 0 DIADLP [NH3+][C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC000423254283 1042703646 /nfs/dbraw/zinc/70/36/46/1042703646.db2.gz ZTOGPBSDGMLHKT-MSOLQXFVSA-N 2 2 300.833 4.081 20 0 DIADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423314211 1042705173 /nfs/dbraw/zinc/70/51/73/1042705173.db2.gz VNKGCUTZRYWQBR-INIZCTEOSA-N 2 2 312.457 4.012 20 0 DIADLP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1nc(C)cs1 ZINC000924972553 1042752308 /nfs/dbraw/zinc/75/23/08/1042752308.db2.gz HKACNBZJZQDEHQ-INIZCTEOSA-N 2 2 309.523 4.003 20 0 DIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1(c2ccccc2)CCCC1 ZINC000519560527 1042969912 /nfs/dbraw/zinc/96/99/12/1042969912.db2.gz NJJPLZSGKNMNQU-SFHVURJKSA-N 2 2 311.473 4.153 20 0 DIADLP c1cc(-c2ccccc2)oc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000520217274 1043025052 /nfs/dbraw/zinc/02/50/52/1043025052.db2.gz OLBPMVVGQFUMPT-UHFFFAOYSA-N 2 2 310.441 4.053 20 0 DIADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(C)ccn1 ZINC000866241919 1043164160 /nfs/dbraw/zinc/16/41/60/1043164160.db2.gz HLXDFOXBCFBHRY-LJQANCHMSA-N 2 2 320.440 4.207 20 0 DIADLP Cc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC001168004828 1043237295 /nfs/dbraw/zinc/23/72/95/1043237295.db2.gz AETBFZMEVJNNTC-HOTGVXAUSA-N 2 2 312.457 4.119 20 0 DIADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000665228791 1043290344 /nfs/dbraw/zinc/29/03/44/1043290344.db2.gz HIWKYHNFJUHZLG-HZPDHXFCSA-N 2 2 307.224 4.228 20 0 DIADLP CC(C)C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427873775 1043309020 /nfs/dbraw/zinc/30/90/20/1043309020.db2.gz HEAZRZVJHAMGNP-IAGOWNOFSA-N 2 2 317.864 4.228 20 0 DIADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)CC2 ZINC000427875127 1043309808 /nfs/dbraw/zinc/30/98/08/1043309808.db2.gz JGTJJTQXGHVPPB-AZUAARDMSA-N 2 2 309.457 4.109 20 0 DIADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000665263437 1043334707 /nfs/dbraw/zinc/33/47/07/1043334707.db2.gz MFPDUYJCMATMFN-HOTGVXAUSA-N 2 2 307.224 4.228 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc(-n2cc[nH+]c2)c1 ZINC000268922544 1043342054 /nfs/dbraw/zinc/34/20/54/1043342054.db2.gz JZQLWRNEIIQHPU-VBKZILBWSA-N 2 2 321.399 4.350 20 0 DIADLP Clc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1Cl ZINC000520962169 1043347612 /nfs/dbraw/zinc/34/76/12/1043347612.db2.gz SDQQKSDOJSDOSG-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000872023737 1043424574 /nfs/dbraw/zinc/42/45/74/1043424574.db2.gz JYWYCWRCFNDGEA-STQMWFEESA-N 2 2 305.388 4.009 20 0 DIADLP Nc1cc[nH+]c(C[NH2+][C@H]2CCCc3c4ccccc4sc32)c1 ZINC000925772488 1043468462 /nfs/dbraw/zinc/46/84/62/1043468462.db2.gz SJWKFAHHRRLEKP-INIZCTEOSA-N 2 2 309.438 4.046 20 0 DIADLP CCC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccsc1 ZINC000443085543 1043480552 /nfs/dbraw/zinc/48/05/52/1043480552.db2.gz BWXSKXHINKIEPS-MRXNPFEDSA-N 2 2 303.475 4.466 20 0 DIADLP c1cn(CCCC2CC[NH+](Cc3ccc4occc4c3)CC2)c[nH+]1 ZINC000349410438 1043507370 /nfs/dbraw/zinc/50/73/70/1043507370.db2.gz UDTNBYTXICKFLE-UHFFFAOYSA-N 2 2 323.440 4.322 20 0 DIADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000349749277 1043522057 /nfs/dbraw/zinc/52/20/57/1043522057.db2.gz POJGPHOXZMULCO-FQEVSTJZSA-N 2 2 303.409 4.209 20 0 DIADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000349749277 1043522060 /nfs/dbraw/zinc/52/20/60/1043522060.db2.gz POJGPHOXZMULCO-FQEVSTJZSA-N 2 2 303.409 4.209 20 0 DIADLP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000349976982 1043534491 /nfs/dbraw/zinc/53/44/91/1043534491.db2.gz YJVWZWMEWHPURH-FQEVSTJZSA-N 2 2 321.399 4.349 20 0 DIADLP Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000349976982 1043534499 /nfs/dbraw/zinc/53/44/99/1043534499.db2.gz YJVWZWMEWHPURH-FQEVSTJZSA-N 2 2 321.399 4.349 20 0 DIADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000443411861 1043543842 /nfs/dbraw/zinc/54/38/42/1043543842.db2.gz XVZYNEQCKRMZKE-UHFFFAOYSA-N 2 2 323.362 4.117 20 0 DIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC000718015126 1043547600 /nfs/dbraw/zinc/54/76/00/1043547600.db2.gz CTKVNBXWIDWCGW-OAQYLSRUSA-N 2 2 314.517 4.457 20 0 DIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC000718015126 1043547602 /nfs/dbraw/zinc/54/76/02/1043547602.db2.gz CTKVNBXWIDWCGW-OAQYLSRUSA-N 2 2 314.517 4.457 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccoc1 ZINC001168024386 1043643421 /nfs/dbraw/zinc/64/34/21/1043643421.db2.gz FVSLNLUALBCHAL-CLWJZODNSA-N 2 2 312.457 4.372 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccoc1 ZINC001168024386 1043643428 /nfs/dbraw/zinc/64/34/28/1043643428.db2.gz FVSLNLUALBCHAL-CLWJZODNSA-N 2 2 312.457 4.372 20 0 DIADLP C[C@H]1CC([NH2+]COc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024434 1043644599 /nfs/dbraw/zinc/64/45/99/1043644599.db2.gz GLKWPCZYHNDHMX-ROUUACIJSA-N 2 2 324.468 4.054 20 0 DIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167628 1043686463 /nfs/dbraw/zinc/68/64/63/1043686463.db2.gz SKZQLUQELMABEZ-GOSISDBHSA-N 2 2 318.848 4.004 20 0 DIADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167628 1043686469 /nfs/dbraw/zinc/68/64/69/1043686469.db2.gz SKZQLUQELMABEZ-GOSISDBHSA-N 2 2 318.848 4.004 20 0 DIADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167628 1043686474 /nfs/dbraw/zinc/68/64/74/1043686474.db2.gz SKZQLUQELMABEZ-GOSISDBHSA-N 2 2 318.848 4.004 20 0 DIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000354167628 1043686480 /nfs/dbraw/zinc/68/64/80/1043686480.db2.gz SKZQLUQELMABEZ-GOSISDBHSA-N 2 2 318.848 4.004 20 0 DIADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000474367406 1043754280 /nfs/dbraw/zinc/75/42/80/1043754280.db2.gz PNVCXFCGGZBNQW-UHFFFAOYSA-N 2 2 320.908 4.399 20 0 DIADLP CC[C@H](C)[C@@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000777692461 1043756421 /nfs/dbraw/zinc/75/64/21/1043756421.db2.gz BZOTWRHXBACIJD-DLBZAZTESA-N 2 2 317.521 4.311 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358240719 1044039895 /nfs/dbraw/zinc/03/98/95/1044039895.db2.gz RQPBKCCPZXMYCK-RDTXWAMCSA-N 2 2 321.449 4.370 20 0 DIADLP CC(C)CSCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358355352 1044059907 /nfs/dbraw/zinc/05/99/07/1044059907.db2.gz MXGJQMLYYHRUNF-MRXNPFEDSA-N 2 2 317.502 4.302 20 0 DIADLP Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1Cl ZINC000443962090 1044066118 /nfs/dbraw/zinc/06/61/18/1044066118.db2.gz JEPTXUBSYPAMCP-UHFFFAOYSA-N 2 2 303.837 4.025 20 0 DIADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC2 ZINC000883387139 1044299511 /nfs/dbraw/zinc/29/95/11/1044299511.db2.gz SCPKWCKPHPFVCI-UXHICEINSA-N 2 2 321.399 4.041 20 0 DIADLP c1cn(C[C@@H]([NH2+][C@@H]2CCCc3sccc32)c2ccccc2)c[nH+]1 ZINC000883386136 1044300371 /nfs/dbraw/zinc/30/03/71/1044300371.db2.gz AFFVNPRWKBSHAQ-QZTJIDSGSA-N 2 2 323.465 4.353 20 0 DIADLP c1cn(C[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883386565 1044300549 /nfs/dbraw/zinc/30/05/49/1044300549.db2.gz IKAAHFZTIPXYHE-LEWJYISDSA-N 2 2 317.436 4.292 20 0 DIADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000883386162 1044301059 /nfs/dbraw/zinc/30/10/59/1044301059.db2.gz ASIKYTDOEXNHQN-VQTJNVASSA-N 2 2 305.425 4.365 20 0 DIADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388328 1044304336 /nfs/dbraw/zinc/30/43/36/1044304336.db2.gz SBPGRXMUEKSIRG-JXFKEZNVSA-N 2 2 323.415 4.423 20 0 DIADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)s1 ZINC000361482679 1044407902 /nfs/dbraw/zinc/40/79/02/1044407902.db2.gz AXXDBYKGLSNQEX-AWEZNQCLSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CC(C)C)c1ccccc1)CCC2 ZINC000361663341 1044430457 /nfs/dbraw/zinc/43/04/57/1044430457.db2.gz UATKAQFCUKNZSW-MOPGFXCFSA-N 2 2 311.473 4.446 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000361832906 1044450227 /nfs/dbraw/zinc/45/02/27/1044450227.db2.gz KUZCBGDMYJSCGT-HXUWFJFHSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000361832906 1044450234 /nfs/dbraw/zinc/45/02/34/1044450234.db2.gz KUZCBGDMYJSCGT-HXUWFJFHSA-N 2 2 303.409 4.128 20 0 DIADLP Cc1[nH]c(C2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)[nH+]c1C ZINC000884705694 1044552468 /nfs/dbraw/zinc/55/24/68/1044552468.db2.gz DWUXINHWWAMBEA-UHFFFAOYSA-N 2 2 324.403 4.098 20 0 DIADLP Cc1[nH+]cc(CNc2ccc([N@H+]3CCCC[C@@H]3C)cc2C)n1C ZINC000567367834 1044561810 /nfs/dbraw/zinc/56/18/10/1044561810.db2.gz AVABJJPTHFQBNR-HNNXBMFYSA-N 2 2 312.461 4.028 20 0 DIADLP Cc1[nH+]cc(CNc2ccc([N@@H+]3CCCC[C@@H]3C)cc2C)n1C ZINC000567367834 1044561822 /nfs/dbraw/zinc/56/18/22/1044561822.db2.gz AVABJJPTHFQBNR-HNNXBMFYSA-N 2 2 312.461 4.028 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295846469 1044567416 /nfs/dbraw/zinc/56/74/16/1044567416.db2.gz DQTSTWAJXZFTAN-WWTUQBGBSA-N 2 2 322.880 4.015 20 0 DIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295846469 1044567427 /nfs/dbraw/zinc/56/74/27/1044567427.db2.gz DQTSTWAJXZFTAN-WWTUQBGBSA-N 2 2 322.880 4.015 20 0 DIADLP c1csc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)c1 ZINC000444637139 1044577184 /nfs/dbraw/zinc/57/71/84/1044577184.db2.gz FUSOZKTWYQAVKB-UHFFFAOYSA-N 2 2 323.465 4.449 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)CCC2 ZINC000366213859 1044712636 /nfs/dbraw/zinc/71/26/36/1044712636.db2.gz ZKMSRWZIOLDQAK-HSALFYBXSA-N 2 2 323.484 4.070 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)CCC2 ZINC000366209535 1044712862 /nfs/dbraw/zinc/71/28/62/1044712862.db2.gz LGTUTCFORWJASY-CHWSQXEVSA-N 2 2 321.827 4.212 20 0 DIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1oc3ccccc3c1C)CCC2 ZINC000366211155 1044712891 /nfs/dbraw/zinc/71/28/91/1044712891.db2.gz QNMIZWPMSAHFTK-JKSUJKDBSA-N 2 2 323.440 4.474 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1oc3ccccc3c1C)CCC2 ZINC000366211151 1044713989 /nfs/dbraw/zinc/71/39/89/1044713989.db2.gz QNMIZWPMSAHFTK-CVEARBPZSA-N 2 2 323.440 4.474 20 0 DIADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccccc2)c1 ZINC000570368710 1044754276 /nfs/dbraw/zinc/75/42/76/1044754276.db2.gz IFVSOPXOZKHQMW-HNAYVOBHSA-N 2 2 317.436 4.285 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC3(CCCCC3)CC2)s1 ZINC000348418575 1044794629 /nfs/dbraw/zinc/79/46/29/1044794629.db2.gz ZLUOVXOAGBKOBM-UHFFFAOYSA-N 2 2 321.534 4.141 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC3(CCCCC3)CC2)s1 ZINC000348418575 1044794645 /nfs/dbraw/zinc/79/46/45/1044794645.db2.gz ZLUOVXOAGBKOBM-UHFFFAOYSA-N 2 2 321.534 4.141 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445759846 1044812277 /nfs/dbraw/zinc/81/22/77/1044812277.db2.gz OHFHLZIIPIDRCX-KGLIPLIRSA-N 2 2 324.871 4.222 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445759846 1044812299 /nfs/dbraw/zinc/81/22/99/1044812299.db2.gz OHFHLZIIPIDRCX-KGLIPLIRSA-N 2 2 324.871 4.222 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(C)cc1)C1CC1)CCC2 ZINC000371425495 1044877423 /nfs/dbraw/zinc/87/74/23/1044877423.db2.gz LZEFEWBBTUVDTJ-OALUTQOASA-N 2 2 309.457 4.118 20 0 DIADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424708 1044900199 /nfs/dbraw/zinc/90/01/99/1044900199.db2.gz CISYCUPXLXZBLP-AEFFLSMTSA-N 2 2 309.457 4.160 20 0 DIADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337424708 1044900211 /nfs/dbraw/zinc/90/02/11/1044900211.db2.gz CISYCUPXLXZBLP-AEFFLSMTSA-N 2 2 309.457 4.160 20 0 DIADLP c1c[nH+]c(C2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)[nH]1 ZINC000573401971 1044905932 /nfs/dbraw/zinc/90/59/32/1044905932.db2.gz AHELIDWVATZGLO-UHFFFAOYSA-N 2 2 309.457 4.447 20 0 DIADLP CCc1ccc([C@@H](C[NH2+]C2CCSCC2)[NH+](CC)CC)cc1 ZINC000573823152 1044924107 /nfs/dbraw/zinc/92/41/07/1044924107.db2.gz ZBWKWDFCPMKLOX-LJQANCHMSA-N 2 2 320.546 4.117 20 0 DIADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2cccs2)s1 ZINC000573846072 1044926355 /nfs/dbraw/zinc/92/63/55/1044926355.db2.gz VNFXZOHXXIOVGD-UHFFFAOYSA-N 2 2 323.531 4.035 20 0 DIADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2cccs2)s1 ZINC000573846072 1044926372 /nfs/dbraw/zinc/92/63/72/1044926372.db2.gz VNFXZOHXXIOVGD-UHFFFAOYSA-N 2 2 323.531 4.035 20 0 DIADLP CC(C)[N@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337634136 1044931435 /nfs/dbraw/zinc/93/14/35/1044931435.db2.gz RDCBTJCNCRQASG-UHFFFAOYSA-N 2 2 311.454 4.344 20 0 DIADLP CC(C)[N@@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337634136 1044931450 /nfs/dbraw/zinc/93/14/50/1044931450.db2.gz RDCBTJCNCRQASG-UHFFFAOYSA-N 2 2 311.454 4.344 20 0 DIADLP CC(C)CC[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373495110 1044985243 /nfs/dbraw/zinc/98/52/43/1044985243.db2.gz MJBOUWBHQQHYTP-IUDNXUCKSA-N 2 2 320.443 4.206 20 0 DIADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151139671 1045017156 /nfs/dbraw/zinc/01/71/56/1045017156.db2.gz NTQOWMBEOSJYHU-HNNXBMFYSA-N 2 2 303.475 4.125 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000374574306 1045072456 /nfs/dbraw/zinc/07/24/56/1045072456.db2.gz GLUJQHRYMJBMLV-MOPGFXCFSA-N 2 2 311.473 4.070 20 0 DIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc32)C[C@@H]1c1ccccc1 ZINC000576721284 1045076321 /nfs/dbraw/zinc/07/63/21/1045076321.db2.gz CTRCPTMHEZSRRB-QXAKKESOSA-N 2 2 324.493 4.259 20 0 DIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc32)C[C@@H]1c1ccccc1 ZINC000576721284 1045076335 /nfs/dbraw/zinc/07/63/35/1045076335.db2.gz CTRCPTMHEZSRRB-QXAKKESOSA-N 2 2 324.493 4.259 20 0 DIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)s1 ZINC000577118529 1045103532 /nfs/dbraw/zinc/10/35/32/1045103532.db2.gz DRMHFTHMTUUGMM-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2)s1 ZINC000577118529 1045103536 /nfs/dbraw/zinc/10/35/36/1045103536.db2.gz DRMHFTHMTUUGMM-UHFFFAOYSA-N 2 2 311.454 4.134 20 0 DIADLP Cc1[nH+]ccn1CC[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447389053 1045127374 /nfs/dbraw/zinc/12/73/74/1045127374.db2.gz YGZKVZQRYMMYBF-UHFFFAOYSA-N 2 2 324.255 4.167 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)CCC2 ZINC000361486956 1045132168 /nfs/dbraw/zinc/13/21/68/1045132168.db2.gz SVCPEGQDSUFYET-INIZCTEOSA-N 2 2 317.436 4.212 20 0 DIADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC2(C1)CCCC2)c1ccccc1 ZINC000925178921 1045233258 /nfs/dbraw/zinc/23/32/58/1045233258.db2.gz NDWIWXVYFWWQMP-SFHVURJKSA-N 2 2 309.457 4.016 20 0 DIADLP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925167185 1045233472 /nfs/dbraw/zinc/23/34/72/1045233472.db2.gz AVPCBKYBXNJKAK-UKRRQHHQSA-N 2 2 309.413 4.166 20 0 DIADLP CC1(C)CCC[C@H]1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000527727608 1045254717 /nfs/dbraw/zinc/25/47/17/1045254717.db2.gz HPSDYIZVICMMKP-AWEZNQCLSA-N 2 2 320.443 4.209 20 0 DIADLP FC(F)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527750581 1045259055 /nfs/dbraw/zinc/25/90/55/1045259055.db2.gz AJPFDRSINRZTJP-QGZVFWFLSA-N 2 2 308.416 4.121 20 0 DIADLP FC(F)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527750581 1045259065 /nfs/dbraw/zinc/25/90/65/1045259065.db2.gz AJPFDRSINRZTJP-QGZVFWFLSA-N 2 2 308.416 4.121 20 0 DIADLP Cc1cccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)C)c1 ZINC000527852145 1045268766 /nfs/dbraw/zinc/26/87/66/1045268766.db2.gz RHEKPGQBEZBJKZ-NRFANRHFSA-N 2 2 323.484 4.346 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000579434844 1045314943 /nfs/dbraw/zinc/31/49/43/1045314943.db2.gz TXRREYXXMCYZFX-UHFFFAOYSA-N 2 2 319.452 4.429 20 0 DIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000187855821 1045332095 /nfs/dbraw/zinc/33/20/95/1045332095.db2.gz YMYXWFMVJOVGLT-IBGZPJMESA-N 2 2 309.388 4.252 20 0 DIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449025093 1045338028 /nfs/dbraw/zinc/33/80/28/1045338028.db2.gz GEBFDVSRRDEJKV-QGZVFWFLSA-N 2 2 309.413 4.029 20 0 DIADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449025093 1045338034 /nfs/dbraw/zinc/33/80/34/1045338034.db2.gz GEBFDVSRRDEJKV-QGZVFWFLSA-N 2 2 309.413 4.029 20 0 DIADLP CC(C)[N@H+](Cc1cc(Cl)sc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591812 1045372663 /nfs/dbraw/zinc/37/26/63/1045372663.db2.gz WICXDGCAZALOEJ-GFCCVEGCSA-N 2 2 321.317 4.407 20 0 DIADLP CC(C)[N@@H+](Cc1cc(Cl)sc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591812 1045372668 /nfs/dbraw/zinc/37/26/68/1045372668.db2.gz WICXDGCAZALOEJ-GFCCVEGCSA-N 2 2 321.317 4.407 20 0 DIADLP Cc1cc(Cl)ccc1C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000528741619 1045406534 /nfs/dbraw/zinc/40/65/34/1045406534.db2.gz OYZUZPNKPHZEQJ-UHFFFAOYSA-N 2 2 315.848 4.024 20 0 DIADLP Cc1cc(Cl)ccc1C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000528741619 1045406541 /nfs/dbraw/zinc/40/65/41/1045406541.db2.gz OYZUZPNKPHZEQJ-UHFFFAOYSA-N 2 2 315.848 4.024 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1Cl ZINC000450252876 1045479551 /nfs/dbraw/zinc/47/95/51/1045479551.db2.gz LAUNHOCFJYLOON-NEPJUHHUSA-N 2 2 319.811 4.066 20 0 DIADLP Fc1cc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1Cl ZINC000450252876 1045479554 /nfs/dbraw/zinc/47/95/54/1045479554.db2.gz LAUNHOCFJYLOON-NEPJUHHUSA-N 2 2 319.811 4.066 20 0 DIADLP CCCc1ccc2[nH+]ccc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000450289215 1045483066 /nfs/dbraw/zinc/48/30/66/1045483066.db2.gz AXRJYSPQAMZRSE-UHFFFAOYSA-N 2 2 320.440 4.225 20 0 DIADLP C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450714576 1045552741 /nfs/dbraw/zinc/55/27/41/1045552741.db2.gz VERLETZYAQBGND-ZBFHGGJFSA-N 2 2 319.399 4.348 20 0 DIADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1CC2CCC1CC2 ZINC000381536444 1045569463 /nfs/dbraw/zinc/56/94/63/1045569463.db2.gz QSWKJOLBVFOVIN-VLMYXLFRSA-N 2 2 303.494 4.102 20 0 DIADLP C[C@H](Cc1ccccc1)[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000628371965 1045571475 /nfs/dbraw/zinc/57/14/75/1045571475.db2.gz QMWGACSKOZDMMJ-QGZVFWFLSA-N 2 2 323.484 4.030 20 0 DIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1csc(Cl)c1 ZINC000191218759 1045667215 /nfs/dbraw/zinc/66/72/15/1045667215.db2.gz XAWPVBJGVBNLGX-LBPRGKRZSA-N 2 2 317.845 4.438 20 0 DIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629536032 1045676194 /nfs/dbraw/zinc/67/61/94/1045676194.db2.gz FYLLLZLNSJUBBN-JTDSTZFVSA-N 2 2 324.468 4.153 20 0 DIADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000629526098 1045676738 /nfs/dbraw/zinc/67/67/38/1045676738.db2.gz KNYMSUDTUBLDGR-UIAACRFSSA-N 2 2 324.468 4.153 20 0 DIADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC001138570641 1045678422 /nfs/dbraw/zinc/67/84/22/1045678422.db2.gz ZTDXUKHEVHXQHV-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC001138570641 1045678437 /nfs/dbraw/zinc/67/84/37/1045678437.db2.gz ZTDXUKHEVHXQHV-UHFFFAOYSA-N 2 2 311.454 4.183 20 0 DIADLP c1cn(Cc2ccc(-c3cccc(C[NH2+]CC4CC4)c3)cc2)c[nH+]1 ZINC000629742799 1045707137 /nfs/dbraw/zinc/70/71/37/1045707137.db2.gz YCGBKPWJKXVDMD-UHFFFAOYSA-N 2 2 317.436 4.098 20 0 DIADLP Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1[C@H]1CCC[NH2+]1 ZINC000629741866 1045707256 /nfs/dbraw/zinc/70/72/56/1045707256.db2.gz FYBDYNJGCVMHHP-OAQYLSRUSA-N 2 2 317.436 4.331 20 0 DIADLP Cc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000452095229 1045771929 /nfs/dbraw/zinc/77/19/29/1045771929.db2.gz VWNZSNWOWVOIGI-KRWDZBQOSA-N 2 2 305.425 4.340 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@@H+]1C1CC1 ZINC000754048408 1045836254 /nfs/dbraw/zinc/83/62/54/1045836254.db2.gz QLVBSFDYIJYEJF-LPHOPBHVSA-N 2 2 306.453 4.068 20 0 DIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C[N@H+]1C1CC1 ZINC000754048408 1045836277 /nfs/dbraw/zinc/83/62/77/1045836277.db2.gz QLVBSFDYIJYEJF-LPHOPBHVSA-N 2 2 306.453 4.068 20 0 DIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000531711496 1045904152 /nfs/dbraw/zinc/90/41/52/1045904152.db2.gz KVLXVKMIUKCVGF-AWEZNQCLSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000828624939 1045923062 /nfs/dbraw/zinc/92/30/62/1045923062.db2.gz SWGWOHBJELDMCR-SWLSCSKDSA-N 2 2 324.255 4.107 20 0 DIADLP c1c2ccccc2sc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001137681146 1045933662 /nfs/dbraw/zinc/93/36/62/1045933662.db2.gz JIVBCLJWGYJSPK-UHFFFAOYSA-N 2 2 324.449 4.340 20 0 DIADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC000453101760 1045937323 /nfs/dbraw/zinc/93/73/23/1045937323.db2.gz ZHEFGKMWYGRMOP-OAHLLOKOSA-N 2 2 311.454 4.152 20 0 DIADLP Clc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)cc1 ZINC000453245393 1046000539 /nfs/dbraw/zinc/00/05/39/1046000539.db2.gz FUVZJHKYEMNOHW-YJBOKZPZSA-N 2 2 315.848 4.051 20 0 DIADLP CCC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000902791917 1046072800 /nfs/dbraw/zinc/07/28/00/1046072800.db2.gz ZULRUYZULPAHLS-JXFKEZNVSA-N 2 2 320.440 4.459 20 0 DIADLP CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894511 1046104064 /nfs/dbraw/zinc/10/40/64/1046104064.db2.gz MCMJEFPRWFQWBN-CVEARBPZSA-N 2 2 320.440 4.242 20 0 DIADLP C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902915411 1046112002 /nfs/dbraw/zinc/11/20/02/1046112002.db2.gz QXFKFBZMIINDGC-HNNXBMFYSA-N 2 2 321.399 4.351 20 0 DIADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000532214083 1046117132 /nfs/dbraw/zinc/11/71/32/1046117132.db2.gz SMDAQBNWYFNZEW-JKSUJKDBSA-N 2 2 323.415 4.466 20 0 DIADLP CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902953134 1046125694 /nfs/dbraw/zinc/12/56/94/1046125694.db2.gz AHXYUSLIJPQKCX-JSGCOSHPSA-N 2 2 311.351 4.254 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OC)CC1 ZINC001138483708 1046196453 /nfs/dbraw/zinc/19/64/53/1046196453.db2.gz RCTIBLKZVOBOQR-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OC)CC1 ZINC001138483708 1046196457 /nfs/dbraw/zinc/19/64/57/1046196457.db2.gz RCTIBLKZVOBOQR-UHFFFAOYSA-N 2 2 324.896 4.045 20 0 DIADLP CCCc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)s1 ZINC001138526457 1046211358 /nfs/dbraw/zinc/21/13/58/1046211358.db2.gz WYLKOXLJKNEDAA-UHFFFAOYSA-N 2 2 324.509 4.099 20 0 DIADLP CCCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)s1 ZINC001138523939 1046212756 /nfs/dbraw/zinc/21/27/56/1046212756.db2.gz SLFRNTBRUNLLMD-UHFFFAOYSA-N 2 2 306.519 4.151 20 0 DIADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)Cc1ccccc1F ZINC001138548778 1046222802 /nfs/dbraw/zinc/22/28/02/1046222802.db2.gz LAWXLPZYWDQRNF-UHFFFAOYSA-N 2 2 323.415 4.342 20 0 DIADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)Cc1ccccc1F ZINC001138548778 1046222821 /nfs/dbraw/zinc/22/28/21/1046222821.db2.gz LAWXLPZYWDQRNF-UHFFFAOYSA-N 2 2 323.415 4.342 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1cccnc1 ZINC000903379850 1046261243 /nfs/dbraw/zinc/26/12/43/1046261243.db2.gz ZKOVNQDHHHWWHQ-SFTDATJTSA-N 2 2 323.484 4.205 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)c1cccnc1 ZINC000903379112 1046261396 /nfs/dbraw/zinc/26/13/96/1046261396.db2.gz FLOGBKQKWGNYNE-LEWJYISDSA-N 2 2 323.484 4.205 20 0 DIADLP CC[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)c1ccc(C)cc1 ZINC000903384974 1046263106 /nfs/dbraw/zinc/26/31/06/1046263106.db2.gz UHAZUPIWQWNZRC-VQTJNVASSA-N 2 2 311.473 4.124 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC001138682627 1046264847 /nfs/dbraw/zinc/26/48/47/1046264847.db2.gz WMILIOKPLNVGKN-UHFFFAOYSA-N 2 2 312.432 4.019 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC001138682627 1046264856 /nfs/dbraw/zinc/26/48/56/1046264856.db2.gz WMILIOKPLNVGKN-UHFFFAOYSA-N 2 2 312.432 4.019 20 0 DIADLP C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903430031 1046279528 /nfs/dbraw/zinc/27/95/28/1046279528.db2.gz WYUDKCZOUQJOSB-MGPUTAFESA-N 2 2 318.424 4.069 20 0 DIADLP c1cc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc2o1 ZINC001138823467 1046301610 /nfs/dbraw/zinc/30/16/10/1046301610.db2.gz GFIPWNJZRGJOSO-UHFFFAOYSA-N 2 2 324.468 4.273 20 0 DIADLP c1cc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc2o1 ZINC001138823467 1046301629 /nfs/dbraw/zinc/30/16/29/1046301629.db2.gz GFIPWNJZRGJOSO-UHFFFAOYSA-N 2 2 324.468 4.273 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccn1 ZINC000638289772 1046309557 /nfs/dbraw/zinc/30/95/57/1046309557.db2.gz ALKBDSLKTUYQCA-DJPFJPOOSA-N 2 2 321.468 4.100 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccn1 ZINC000638289772 1046309573 /nfs/dbraw/zinc/30/95/73/1046309573.db2.gz ALKBDSLKTUYQCA-DJPFJPOOSA-N 2 2 321.468 4.100 20 0 DIADLP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908794 1046339477 /nfs/dbraw/zinc/33/94/77/1046339477.db2.gz PTKSDIQELAOOLA-GXFFZTMASA-N 2 2 324.337 4.071 20 0 DIADLP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908794 1046339490 /nfs/dbraw/zinc/33/94/90/1046339490.db2.gz PTKSDIQELAOOLA-GXFFZTMASA-N 2 2 324.337 4.071 20 0 DIADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000903904246 1046341526 /nfs/dbraw/zinc/34/15/26/1046341526.db2.gz SKPRQJYBXSMBJG-MRXNPFEDSA-N 2 2 318.411 4.002 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OCC(C)C)cc2)CC1 ZINC001138971317 1046347419 /nfs/dbraw/zinc/34/74/19/1046347419.db2.gz JGGQBYGQHMUNBT-UHFFFAOYSA-N 2 2 318.505 4.028 20 0 DIADLP CC(C)[N@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168194802 1046384137 /nfs/dbraw/zinc/38/41/37/1046384137.db2.gz ZYOGPGVLDHTOSI-OAHLLOKOSA-N 2 2 308.897 4.076 20 0 DIADLP CC(C)[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168194802 1046384153 /nfs/dbraw/zinc/38/41/53/1046384153.db2.gz ZYOGPGVLDHTOSI-OAHLLOKOSA-N 2 2 308.897 4.076 20 0 DIADLP Cc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)cc1Cl ZINC001206572603 1046397590 /nfs/dbraw/zinc/39/75/90/1046397590.db2.gz DAVSDMSNADEZKX-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)cc1Cl ZINC001206572603 1046397603 /nfs/dbraw/zinc/39/76/03/1046397603.db2.gz DAVSDMSNADEZKX-MRXNPFEDSA-N 2 2 315.288 4.253 20 0 DIADLP c1cc(-c2ccccc2)sc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001139416124 1046447048 /nfs/dbraw/zinc/44/70/48/1046447048.db2.gz MBLYPYFIWZGGLS-UHFFFAOYSA-N 2 2 312.482 4.085 20 0 DIADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139643383 1046492308 /nfs/dbraw/zinc/49/23/08/1046492308.db2.gz BFUVOQKLUKNUOV-UHFFFAOYSA-N 2 2 323.484 4.055 20 0 DIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641744777 1046510152 /nfs/dbraw/zinc/51/01/52/1046510152.db2.gz YSCXJPBJOSUHRK-AOIWGVFYSA-N 2 2 315.505 4.165 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cncc3ccccc32)C2CCCC2)CC1 ZINC001139898160 1046551351 /nfs/dbraw/zinc/55/13/51/1046551351.db2.gz FXKIVYJVCQMGKT-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cncc3ccccc32)C2CCCC2)CC1 ZINC001139898160 1046551364 /nfs/dbraw/zinc/55/13/64/1046551364.db2.gz FXKIVYJVCQMGKT-UHFFFAOYSA-N 2 2 323.484 4.074 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC001202986265 1046555009 /nfs/dbraw/zinc/55/50/09/1046555009.db2.gz OWAXHUXTNBYGKK-JHNWYVAOSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC001202986265 1046555022 /nfs/dbraw/zinc/55/50/22/1046555022.db2.gz OWAXHUXTNBYGKK-JHNWYVAOSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001140023622 1046571888 /nfs/dbraw/zinc/57/18/88/1046571888.db2.gz TVDNXSUVKHMSCY-IBGZPJMESA-N 2 2 317.436 4.170 20 0 DIADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001140023622 1046571903 /nfs/dbraw/zinc/57/19/03/1046571903.db2.gz TVDNXSUVKHMSCY-IBGZPJMESA-N 2 2 317.436 4.170 20 0 DIADLP CCCC1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000642339552 1046600077 /nfs/dbraw/zinc/60/00/77/1046600077.db2.gz GGUDLGLMABXLLB-UHFFFAOYSA-N 2 2 311.473 4.380 20 0 DIADLP C[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(Cl)c1 ZINC000783598584 1046613556 /nfs/dbraw/zinc/61/35/56/1046613556.db2.gz JOVOZDXLQHQKNT-YOEHRIQHSA-N 2 2 319.880 4.345 20 0 DIADLP C[C@@H](Cc1cccs1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000643524948 1046671849 /nfs/dbraw/zinc/67/18/49/1046671849.db2.gz AKVGFWGPAPFYKJ-IFXJQAMLSA-N 2 2 310.466 4.122 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1cccc2[nH+]c(C)cn21 ZINC001211986125 1046680865 /nfs/dbraw/zinc/68/08/65/1046680865.db2.gz GXKZEIOHEUQMDY-UHFFFAOYSA-N 2 2 308.429 4.228 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccc3c(c2)CCC3)C2CCCC2)CC1 ZINC001203036102 1046724333 /nfs/dbraw/zinc/72/43/33/1046724333.db2.gz WCJGWRBGPHWDJL-UHFFFAOYSA-N 2 2 312.501 4.014 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccc3c(c2)CCC3)C2CCCC2)CC1 ZINC001203036102 1046724341 /nfs/dbraw/zinc/72/43/41/1046724341.db2.gz WCJGWRBGPHWDJL-UHFFFAOYSA-N 2 2 312.501 4.014 20 0 DIADLP CC[NH+](CC)Cc1ccccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001211994000 1046747748 /nfs/dbraw/zinc/74/77/48/1046747748.db2.gz IXRWZPUYSGGUCN-UHFFFAOYSA-N 2 2 320.440 4.458 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000679127441 1046781187 /nfs/dbraw/zinc/78/11/87/1046781187.db2.gz CEQITVMGTGOTRS-PXNSSMCTSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@H]1C[C@@H]([NH2+]C(C)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000679127441 1046781200 /nfs/dbraw/zinc/78/12/00/1046781200.db2.gz CEQITVMGTGOTRS-PXNSSMCTSA-N 2 2 308.469 4.022 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406980 1046789488 /nfs/dbraw/zinc/78/94/88/1046789488.db2.gz UWYIDVXMLNZEJU-GOEBONIOSA-N 2 2 312.432 4.114 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)c2ccccc21 ZINC000645406980 1046789499 /nfs/dbraw/zinc/78/94/99/1046789499.db2.gz UWYIDVXMLNZEJU-GOEBONIOSA-N 2 2 312.432 4.114 20 0 DIADLP COC(C)(C)[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000645411217 1046789518 /nfs/dbraw/zinc/78/95/18/1046789518.db2.gz XSLLNHFBPLPSDS-IAGOWNOFSA-N 2 2 318.505 4.053 20 0 DIADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)cc2Cl)CC1 ZINC001140799442 1046904668 /nfs/dbraw/zinc/90/46/68/1046904668.db2.gz DGXREUSGQFTBDG-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2Cl)CC1 ZINC001140799442 1046904679 /nfs/dbraw/zinc/90/46/79/1046904679.db2.gz DGXREUSGQFTBDG-UHFFFAOYSA-N 2 2 308.897 4.345 20 0 DIADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(Cl)c1 ZINC001140800157 1046905592 /nfs/dbraw/zinc/90/55/92/1046905592.db2.gz XGCGCLDCFTYJCB-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(Cl)c1 ZINC001140800157 1046905601 /nfs/dbraw/zinc/90/56/01/1046905601.db2.gz XGCGCLDCFTYJCB-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Fc1cccc([C@H]2CC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000680328263 1046964128 /nfs/dbraw/zinc/96/41/28/1046964128.db2.gz DPFGMCFBAMNBLK-QGZVFWFLSA-N 2 2 313.401 4.020 20 0 DIADLP Fc1cccc([C@H]2CC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000680328263 1046964136 /nfs/dbraw/zinc/96/41/36/1046964136.db2.gz DPFGMCFBAMNBLK-QGZVFWFLSA-N 2 2 313.401 4.020 20 0 DIADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H](C)C1 ZINC000680342254 1046968086 /nfs/dbraw/zinc/96/80/86/1046968086.db2.gz NHGVBOBJNQJCBI-ZAWLATJESA-N 2 2 311.473 4.118 20 0 DIADLP COc1ccc([C@H](CC(C)C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000647283924 1046968733 /nfs/dbraw/zinc/96/87/33/1046968733.db2.gz SQJBKWJFTGQCEZ-IBGZPJMESA-N 2 2 315.461 4.049 20 0 DIADLP Clc1c2ccccc2sc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814455 1047017308 /nfs/dbraw/zinc/01/73/08/1047017308.db2.gz OMNSTQWNEQRAPA-UHFFFAOYSA-N 2 2 320.889 4.271 20 0 DIADLP Clc1c2ccccc2sc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814455 1047017323 /nfs/dbraw/zinc/01/73/23/1047017323.db2.gz OMNSTQWNEQRAPA-UHFFFAOYSA-N 2 2 320.889 4.271 20 0 DIADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1Cl ZINC001141237127 1047058783 /nfs/dbraw/zinc/05/87/83/1047058783.db2.gz MQAXSZUDXMOIOD-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1Cl ZINC001141237127 1047058796 /nfs/dbraw/zinc/05/87/96/1047058796.db2.gz MQAXSZUDXMOIOD-UHFFFAOYSA-N 2 2 320.908 4.487 20 0 DIADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001141241929 1047061769 /nfs/dbraw/zinc/06/17/69/1047061769.db2.gz OVWMFXWRGOFAKJ-UHFFFAOYSA-N 2 2 321.468 4.273 20 0 DIADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001141241929 1047061778 /nfs/dbraw/zinc/06/17/78/1047061778.db2.gz OVWMFXWRGOFAKJ-UHFFFAOYSA-N 2 2 321.468 4.273 20 0 DIADLP CC[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244728 1047061947 /nfs/dbraw/zinc/06/19/47/1047061947.db2.gz SVLRDZYUUYCGEO-FQEVSTJZSA-N 2 2 305.425 4.455 20 0 DIADLP CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244728 1047061957 /nfs/dbraw/zinc/06/19/57/1047061957.db2.gz SVLRDZYUUYCGEO-FQEVSTJZSA-N 2 2 305.425 4.455 20 0 DIADLP c1cn(C2CC[NH+](Cc3cccc(-c4ccsc4)c3)CC2)c[nH+]1 ZINC001141383980 1047111764 /nfs/dbraw/zinc/11/17/64/1047111764.db2.gz BZNHLNCHKPKFKH-UHFFFAOYSA-N 2 2 323.465 4.449 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)c1 ZINC000325404460 1047187505 /nfs/dbraw/zinc/18/75/05/1047187505.db2.gz IBJUKPQKFKDQTC-KAGYGMCKSA-N 2 2 322.496 4.465 20 0 DIADLP Cc1ccc(C)c([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)c1 ZINC000325404460 1047187511 /nfs/dbraw/zinc/18/75/11/1047187511.db2.gz IBJUKPQKFKDQTC-KAGYGMCKSA-N 2 2 322.496 4.465 20 0 DIADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cc1Cl ZINC000385952172 1047276283 /nfs/dbraw/zinc/27/62/83/1047276283.db2.gz FMUCJEIEFDBVPB-LRDDRELGSA-N 2 2 323.843 4.441 20 0 DIADLP CC1(C)CC[N@H+](Cc2ccccc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC001462662570 1047292023 /nfs/dbraw/zinc/29/20/23/1047292023.db2.gz FFJJDENGAXCUOS-UHFFFAOYSA-N 2 2 314.395 4.058 20 0 DIADLP CC1(C)CC[N@@H+](Cc2ccccc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC001462662570 1047292029 /nfs/dbraw/zinc/29/20/29/1047292029.db2.gz FFJJDENGAXCUOS-UHFFFAOYSA-N 2 2 314.395 4.058 20 0 DIADLP Cc1[nH+]cn(C2CCC(C(C)(C)C)CC2)c1CSCC[NH3+] ZINC001255497785 1047320007 /nfs/dbraw/zinc/32/00/07/1047320007.db2.gz XFTQHDCPFCRJDC-UHFFFAOYSA-N 2 2 309.523 4.161 20 0 DIADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000045106294 1047359622 /nfs/dbraw/zinc/35/96/22/1047359622.db2.gz QASOSOHYNBBTPC-HNNXBMFYSA-N 2 2 321.877 4.143 20 0 DIADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168338011 1047496666 /nfs/dbraw/zinc/49/66/66/1047496666.db2.gz VXYLXFOGYZDAQL-NKELODKYSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168338011 1047496667 /nfs/dbraw/zinc/49/66/67/1047496667.db2.gz VXYLXFOGYZDAQL-NKELODKYSA-N 2 2 320.908 4.439 20 0 DIADLP c1ccc(-c2cc[nH+]c(NCc3ccc4c(c3)CC[NH2+]C4)c2)cc1 ZINC001155267790 1047674000 /nfs/dbraw/zinc/67/40/00/1047674000.db2.gz MNRAXWHFHNVGGL-UHFFFAOYSA-N 2 2 315.420 4.006 20 0 DIADLP Cc1ccc2cc[nH+]c(NCC3C[NH+](Cc4ccccc4)C3)c2c1 ZINC001156398394 1047710168 /nfs/dbraw/zinc/71/01/68/1047710168.db2.gz CAGZFENCYCEOIZ-UHFFFAOYSA-N 2 2 317.436 4.087 20 0 DIADLP Cc1cccc2c(C)cc(N3CCC4(CC3)CC[NH+](C)CC4)[nH+]c12 ZINC001156564150 1047718291 /nfs/dbraw/zinc/71/82/91/1047718291.db2.gz VYBDPKLZOGUCKK-UHFFFAOYSA-N 2 2 323.484 4.164 20 0 DIADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC001206660832 1047718440 /nfs/dbraw/zinc/71/84/40/1047718440.db2.gz KKAMNQOEDRFRKB-DLBZAZTESA-N 2 2 314.473 4.074 20 0 DIADLP CC(C)([NH3+])c1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001159167912 1047818200 /nfs/dbraw/zinc/81/82/00/1047818200.db2.gz YYVFAXLCTJOHQI-UHFFFAOYSA-N 2 2 310.445 4.009 20 0 DIADLP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553072624 1047819998 /nfs/dbraw/zinc/81/99/98/1047819998.db2.gz PUYZGWRPGOHPJP-CQSZACIVSA-N 2 2 317.864 4.056 20 0 DIADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553072624 1047820005 /nfs/dbraw/zinc/82/00/05/1047820005.db2.gz PUYZGWRPGOHPJP-CQSZACIVSA-N 2 2 317.864 4.056 20 0 DIADLP Cc1ccc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)c(C)[nH+]1 ZINC001159392386 1047839587 /nfs/dbraw/zinc/83/95/87/1047839587.db2.gz YWLCVSKBVMSRTP-MAZHCROVSA-N 2 2 310.445 4.068 20 0 DIADLP Cc1cccc(Cl)c1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001197582820 1047850811 /nfs/dbraw/zinc/85/08/11/1047850811.db2.gz ZTOFSEKVDRZKQH-UHFFFAOYSA-N 2 2 320.908 4.489 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001182856146 1047851917 /nfs/dbraw/zinc/85/19/17/1047851917.db2.gz TYMGFFFLXVQPKF-CHWSQXEVSA-N 2 2 314.926 4.185 20 0 DIADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001182856146 1047851934 /nfs/dbraw/zinc/85/19/34/1047851934.db2.gz TYMGFFFLXVQPKF-CHWSQXEVSA-N 2 2 314.926 4.185 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001182872547 1047854713 /nfs/dbraw/zinc/85/47/13/1047854713.db2.gz DNEXRLCBVMBZIP-HLAWJBBLSA-N 2 2 314.517 4.341 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001182872546 1047856270 /nfs/dbraw/zinc/85/62/70/1047856270.db2.gz DNEXRLCBVMBZIP-GIVPXCGWSA-N 2 2 314.517 4.341 20 0 DIADLP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917783 1047861528 /nfs/dbraw/zinc/86/15/28/1047861528.db2.gz BZQIQZWMOKIHEI-KUHUBIRLSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001182917783 1047861548 /nfs/dbraw/zinc/86/15/48/1047861548.db2.gz BZQIQZWMOKIHEI-KUHUBIRLSA-N 2 2 322.443 4.065 20 0 DIADLP CCC[NH+]1CCC([NH2+][C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479330446 1047868080 /nfs/dbraw/zinc/86/80/80/1047868080.db2.gz YAYBEBBFFPFSHN-SFHVURJKSA-N 2 2 310.432 4.126 20 0 DIADLP Cc1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)ccc1[NH+](C)C ZINC001159598629 1047877487 /nfs/dbraw/zinc/87/74/87/1047877487.db2.gz WNYLTRUMHIKWEZ-UHFFFAOYSA-N 2 2 309.457 4.272 20 0 DIADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816005 1047896196 /nfs/dbraw/zinc/89/61/96/1047896196.db2.gz IXQSODVFKILZEF-CHWSQXEVSA-N 2 2 306.500 4.036 20 0 DIADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccs3)s2)C1 ZINC001205816005 1047896206 /nfs/dbraw/zinc/89/62/06/1047896206.db2.gz IXQSODVFKILZEF-CHWSQXEVSA-N 2 2 306.500 4.036 20 0 DIADLP Cc1ccc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCCC2)o1 ZINC000479525743 1047915030 /nfs/dbraw/zinc/91/50/30/1047915030.db2.gz KRSFPEJQTOFGDS-QLOJAFMTSA-N 2 2 316.489 4.426 20 0 DIADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205265682 1047919437 /nfs/dbraw/zinc/91/94/37/1047919437.db2.gz QRNDLKZSSBKFJX-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001205265682 1047919442 /nfs/dbraw/zinc/91/94/42/1047919442.db2.gz QRNDLKZSSBKFJX-AWEZNQCLSA-N 2 2 320.786 4.062 20 0 DIADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]c1C ZINC001183525864 1047935164 /nfs/dbraw/zinc/93/51/64/1047935164.db2.gz INLKUWYUNFDNDZ-VQIMIIECSA-N 2 2 309.457 4.163 20 0 DIADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c[nH+]c1C ZINC001183525864 1047935169 /nfs/dbraw/zinc/93/51/69/1047935169.db2.gz INLKUWYUNFDNDZ-VQIMIIECSA-N 2 2 309.457 4.163 20 0 DIADLP Cc1cc(NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c[nH+]c1C ZINC001183525878 1047935209 /nfs/dbraw/zinc/93/52/09/1047935209.db2.gz JFTOTDJJTKZBAL-IFXJQAMLSA-N 2 2 301.478 4.153 20 0 DIADLP CC(C)C1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001183501671 1047936728 /nfs/dbraw/zinc/93/67/28/1047936728.db2.gz ZWDIFELNDJMGBN-LYBXBRPPSA-N 2 2 311.473 4.429 20 0 DIADLP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC001198298741 1047942142 /nfs/dbraw/zinc/94/21/42/1047942142.db2.gz BSHYVQGRPGHBDL-INIZCTEOSA-N 2 2 323.893 4.085 20 0 DIADLP C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC001198298741 1047942148 /nfs/dbraw/zinc/94/21/48/1047942148.db2.gz BSHYVQGRPGHBDL-INIZCTEOSA-N 2 2 323.893 4.085 20 0 DIADLP Cc1ccc2c(Nc3ccc(O[C@H]4CC[NH2+]C4)cc3)cccc2[nH+]1 ZINC001159922288 1047950810 /nfs/dbraw/zinc/95/08/10/1047950810.db2.gz HTTQICAXLLMHPM-KRWDZBQOSA-N 2 2 319.408 4.028 20 0 DIADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159953505 1047956829 /nfs/dbraw/zinc/95/68/29/1047956829.db2.gz LDDQDQLLNZOCJN-LJQANCHMSA-N 2 2 323.440 4.142 20 0 DIADLP Cc1ccc(C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(C)cc2)cc1 ZINC000480080258 1048043516 /nfs/dbraw/zinc/04/35/16/1048043516.db2.gz AHYGCUPNFMSRCA-NRFANRHFSA-N 2 2 319.452 4.074 20 0 DIADLP C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055853 1048113868 /nfs/dbraw/zinc/11/38/68/1048113868.db2.gz WZYNSKAUXNBIPN-DDKKJVIOSA-N 2 2 309.457 4.359 20 0 DIADLP C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175055853 1048113875 /nfs/dbraw/zinc/11/38/75/1048113875.db2.gz WZYNSKAUXNBIPN-DDKKJVIOSA-N 2 2 309.457 4.359 20 0 DIADLP CC(C)(C)C[NH+]1CCC(Nc2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001161212290 1048114728 /nfs/dbraw/zinc/11/47/28/1048114728.db2.gz KJWMPPXUFYYZKA-UHFFFAOYSA-N 2 2 303.494 4.302 20 0 DIADLP Cc1cccc2c(C)cc(N3CCC([NH3+])(CC4CCC4)CC3)[nH+]c12 ZINC001161569559 1048140911 /nfs/dbraw/zinc/14/09/11/1048140911.db2.gz MHTNGOSPMSSBRA-UHFFFAOYSA-N 2 2 323.484 4.340 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001175156330 1048147006 /nfs/dbraw/zinc/14/70/06/1048147006.db2.gz PMLQXFSQXJPMMQ-LJQANCHMSA-N 2 2 316.464 4.153 20 0 DIADLP CC(C)c1ccc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)[nH+]c1 ZINC001161680270 1048152943 /nfs/dbraw/zinc/15/29/43/1048152943.db2.gz MDEJZECCSJFDAX-QAQDUYKDSA-N 2 2 303.494 4.327 20 0 DIADLP CCSc1cc[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001161680782 1048153894 /nfs/dbraw/zinc/15/38/94/1048153894.db2.gz MIVXMCPJCJNMAC-SHTZXODSSA-N 2 2 321.534 4.316 20 0 DIADLP c1[nH]c2c(cccc2Nc2ccc(CC[NH+]3CCCCC3)cc2)[nH+]1 ZINC001213034721 1048155561 /nfs/dbraw/zinc/15/55/61/1048155561.db2.gz YSKRXINKLCQUQN-UHFFFAOYSA-N 2 2 320.440 4.335 20 0 DIADLP CCS[C@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001200924049 1048158476 /nfs/dbraw/zinc/15/84/76/1048158476.db2.gz YTUKQKNFTOFWPB-HIFRSBDPSA-N 2 2 321.515 4.088 20 0 DIADLP C[C@@H](CC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000774936128 1048235179 /nfs/dbraw/zinc/23/51/79/1048235179.db2.gz QHUYSEMPWTYKOK-SFHVURJKSA-N 2 2 323.484 4.044 20 0 DIADLP Cc1[nH]c2nc[nH+]c(NCC[PH+](C(C)C)C(C)C)c2c1C ZINC001162361962 1048270340 /nfs/dbraw/zinc/27/03/40/1048270340.db2.gz NISWAFONJBQBEV-UHFFFAOYSA-N 2 2 306.394 4.285 20 0 DIADLP CCOc1cc[nH+]cc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361545 1048277577 /nfs/dbraw/zinc/27/75/77/1048277577.db2.gz RDUYZIFPXAXBCW-UHFFFAOYSA-N 2 2 311.429 4.210 20 0 DIADLP Cc1ccc(C)c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001201475335 1048297310 /nfs/dbraw/zinc/29/73/10/1048297310.db2.gz UPJKJBYEENWKGK-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP Cc1ccc(C)c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]1 ZINC001201475335 1048297321 /nfs/dbraw/zinc/29/73/21/1048297321.db2.gz UPJKJBYEENWKGK-UXHICEINSA-N 2 2 319.452 4.431 20 0 DIADLP CCC(CC)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201528313 1048310433 /nfs/dbraw/zinc/31/04/33/1048310433.db2.gz OPHWAQMNNAVTOS-UHFFFAOYSA-N 2 2 323.440 4.430 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000555378374 1048334434 /nfs/dbraw/zinc/33/44/34/1048334434.db2.gz RFYKMKQIKSCCDR-WMZOPIPTSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000555378374 1048334454 /nfs/dbraw/zinc/33/44/54/1048334454.db2.gz RFYKMKQIKSCCDR-WMZOPIPTSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000555378374 1048334467 /nfs/dbraw/zinc/33/44/67/1048334467.db2.gz RFYKMKQIKSCCDR-WMZOPIPTSA-N 2 2 317.521 4.072 20 0 DIADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000555378374 1048334484 /nfs/dbraw/zinc/33/44/84/1048334484.db2.gz RFYKMKQIKSCCDR-WMZOPIPTSA-N 2 2 317.521 4.072 20 0 DIADLP CCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201727066 1048354747 /nfs/dbraw/zinc/35/47/47/1048354747.db2.gz MQPPADZWNHNJRO-UHFFFAOYSA-N 2 2 321.534 4.072 20 0 DIADLP CCCCC[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201727066 1048354763 /nfs/dbraw/zinc/35/47/63/1048354763.db2.gz MQPPADZWNHNJRO-UHFFFAOYSA-N 2 2 321.534 4.072 20 0 DIADLP Cc1cc([NH+]2CCCCC2)ccc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162853896 1048371913 /nfs/dbraw/zinc/37/19/13/1048371913.db2.gz OFPUJFVAYURQCI-SFHVURJKSA-N 2 2 321.468 4.007 20 0 DIADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929560 1048396316 /nfs/dbraw/zinc/39/63/16/1048396316.db2.gz NQKLGHCJYORPAK-RXVVDRJESA-N 2 2 322.496 4.433 20 0 DIADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001201929560 1048396328 /nfs/dbraw/zinc/39/63/28/1048396328.db2.gz NQKLGHCJYORPAK-RXVVDRJESA-N 2 2 322.496 4.433 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCCC1 ZINC001201938949 1048397690 /nfs/dbraw/zinc/39/76/90/1048397690.db2.gz MLQCJJSYEIGSNF-CQSZACIVSA-N 2 2 303.475 4.382 20 0 DIADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(F)c1F ZINC001143611045 1048439163 /nfs/dbraw/zinc/43/91/63/1048439163.db2.gz NSNXGGFTTWTRIC-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(F)c1F ZINC001143611045 1048439172 /nfs/dbraw/zinc/43/91/72/1048439172.db2.gz NSNXGGFTTWTRIC-UHFFFAOYSA-N 2 2 322.443 4.112 20 0 DIADLP Cc1cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC001163248951 1048444218 /nfs/dbraw/zinc/44/42/18/1048444218.db2.gz OBLMJJRGRPUQMQ-BEFAXECRSA-N 2 2 324.472 4.074 20 0 DIADLP CC(C)[N@@H+]1CC[C@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@@H](C)C1 ZINC001163361597 1048460498 /nfs/dbraw/zinc/46/04/98/1048460498.db2.gz JLXVDVJGZJKEPZ-LPHOPBHVSA-N 2 2 309.457 4.279 20 0 DIADLP CC(C)[N@H+]1CC[C@H](Nc2cc(-c3ccccc3)cc[nH+]2)[C@@H](C)C1 ZINC001163361597 1048460511 /nfs/dbraw/zinc/46/05/11/1048460511.db2.gz JLXVDVJGZJKEPZ-LPHOPBHVSA-N 2 2 309.457 4.279 20 0 DIADLP CS[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001202151712 1048475093 /nfs/dbraw/zinc/47/50/93/1048475093.db2.gz XECSHPDILXEGTE-ROUUACIJSA-N 2 2 324.578 4.297 20 0 DIADLP CC(C)=CCC[C@@H](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000482170673 1048566793 /nfs/dbraw/zinc/56/67/93/1048566793.db2.gz PICPZLKAXHTOGF-GOSISDBHSA-N 2 2 315.505 4.413 20 0 DIADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000482244885 1048572666 /nfs/dbraw/zinc/57/26/66/1048572666.db2.gz NLGZJPLXRTVFKF-QGZVFWFLSA-N 2 2 315.848 4.204 20 0 DIADLP c1cn(-c2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2)c[nH+]1 ZINC001176195816 1048592075 /nfs/dbraw/zinc/59/20/75/1048592075.db2.gz MWRGUZOQXFHUHY-UHFFFAOYSA-N 2 2 318.424 4.212 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]c1C ZINC001164491782 1048634750 /nfs/dbraw/zinc/63/47/50/1048634750.db2.gz GGROGZWRTPXDQG-SESVDKBCSA-N 2 2 321.468 4.021 20 0 DIADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]c1C ZINC001164491782 1048634758 /nfs/dbraw/zinc/63/47/58/1048634758.db2.gz GGROGZWRTPXDQG-SESVDKBCSA-N 2 2 321.468 4.021 20 0 DIADLP CC[NH+](CC)c1ccc(C)c(NCC2CC[NH+](C(C)C)CC2)c1 ZINC001166637780 1048775183 /nfs/dbraw/zinc/77/51/83/1048775183.db2.gz SNOLBSFPYQKBLQ-UHFFFAOYSA-N 2 2 317.521 4.374 20 0 DIADLP Clc1cc(Cl)cc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000194614368 1048782003 /nfs/dbraw/zinc/78/20/03/1048782003.db2.gz DEOCYUKRVUHVRY-UHFFFAOYSA-N 2 2 324.255 4.070 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CCC2 ZINC000483439144 1048798978 /nfs/dbraw/zinc/79/89/78/1048798978.db2.gz DIMWZPQZBOTNPR-BZZMCLGOSA-N 2 2 303.494 4.119 20 0 DIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(C)c(C)cc1C)CCC2 ZINC000483441291 1048799874 /nfs/dbraw/zinc/79/98/74/1048799874.db2.gz PZBMNGZMIWHJOU-ROUUACIJSA-N 2 2 311.473 4.345 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977408 1048809688 /nfs/dbraw/zinc/80/96/88/1048809688.db2.gz KYZDARPJMHXEAJ-GFCCVEGCSA-N 2 2 321.827 4.153 20 0 DIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC=C(Cl)Cl)cc1 ZINC000851901666 1048810617 /nfs/dbraw/zinc/81/06/17/1048810617.db2.gz FCBZMGMTBSHRAP-LLVKDONJSA-N 2 2 310.228 4.150 20 0 DIADLP c1ccc([C@@H](C[NH2+]Cc2cccc3c2CCC3)[NH+]2CCCC2)cc1 ZINC001177104453 1048831679 /nfs/dbraw/zinc/83/16/79/1048831679.db2.gz TYPUKAWKUYHUFZ-JOCHJYFZSA-N 2 2 320.480 4.102 20 0 DIADLP C[C@H](CCc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177099346 1048833515 /nfs/dbraw/zinc/83/35/15/1048833515.db2.gz ZMBUMJKLZQOLDS-OAHLLOKOSA-N 2 2 311.454 4.045 20 0 DIADLP c1ccc([C@H](C[NH2+]Cc2cccc3c2CCC3)[NH+]2CCCC2)cc1 ZINC001177104459 1048833703 /nfs/dbraw/zinc/83/37/03/1048833703.db2.gz TYPUKAWKUYHUFZ-QFIPXVFZSA-N 2 2 320.480 4.102 20 0 DIADLP CCc1[nH]c(C[NH+]2CCC3(CCCc4ccccc43)CC2)c(C)[nH+]1 ZINC001203236257 1048850652 /nfs/dbraw/zinc/85/06/52/1048850652.db2.gz HKZKVMLHUDKHDF-UHFFFAOYSA-N 2 2 323.484 4.151 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001203328556 1048871191 /nfs/dbraw/zinc/87/11/91/1048871191.db2.gz UQQZWBLOIZBXCC-NGXITPROSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001203328556 1048871208 /nfs/dbraw/zinc/87/12/08/1048871208.db2.gz UQQZWBLOIZBXCC-NGXITPROSA-N 2 2 312.501 4.232 20 0 DIADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](C(C)(C)C)CC2)[nH+]1 ZINC000853203135 1048887410 /nfs/dbraw/zinc/88/74/10/1048887410.db2.gz KXPUBWVSUMOAMH-UHFFFAOYSA-N 2 2 315.383 4.084 20 0 DIADLP Fc1cc(C[NH2+]C2CCC3(CCC3)CC2)ccc1-n1cc[nH+]c1 ZINC001177469808 1048888397 /nfs/dbraw/zinc/88/83/97/1048888397.db2.gz ATBXGSYDLYPELF-UHFFFAOYSA-N 2 2 313.420 4.214 20 0 DIADLP CCSc1ccccc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000484306540 1048921365 /nfs/dbraw/zinc/92/13/65/1048921365.db2.gz JJAJMDMCJAIYFK-OAHLLOKOSA-N 2 2 315.486 4.346 20 0 DIADLP CSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000194864075 1048938622 /nfs/dbraw/zinc/93/86/22/1048938622.db2.gz OPWZISBCCGMYRJ-HNNXBMFYSA-N 2 2 323.465 4.445 20 0 DIADLP C[NH+](C)CC[C@H]([NH2+]Cc1cccc(Cl)c1Cl)C(C)(C)C ZINC001177821874 1048943212 /nfs/dbraw/zinc/94/32/12/1048943212.db2.gz FGRVXBXVGYQTNG-AWEZNQCLSA-N 2 2 317.304 4.449 20 0 DIADLP CC(C)[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001203698161 1048968330 /nfs/dbraw/zinc/96/83/30/1048968330.db2.gz PYHPRMWDRNAHEZ-UHFFFAOYSA-N 2 2 314.395 4.010 20 0 DIADLP CC(C)[N@@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001203698161 1048968339 /nfs/dbraw/zinc/96/83/39/1048968339.db2.gz PYHPRMWDRNAHEZ-UHFFFAOYSA-N 2 2 314.395 4.010 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2cccc(Cl)c2)C2CCCC2)CC1 ZINC001203801501 1048998862 /nfs/dbraw/zinc/99/88/62/1048998862.db2.gz CBTBGBUDMIJKCT-UHFFFAOYSA-N 2 2 306.881 4.179 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2cccc(Cl)c2)C2CCCC2)CC1 ZINC001203801501 1048998878 /nfs/dbraw/zinc/99/88/78/1048998878.db2.gz CBTBGBUDMIJKCT-UHFFFAOYSA-N 2 2 306.881 4.179 20 0 DIADLP Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001178408882 1049035408 /nfs/dbraw/zinc/03/54/08/1049035408.db2.gz ISFOYNKKFFXTPP-QGZVFWFLSA-N 2 2 305.425 4.340 20 0 DIADLP c1ccc2c(c1)cccc2C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001203984467 1049051830 /nfs/dbraw/zinc/05/18/30/1049051830.db2.gz XSGCRMNFMNMFAU-UHFFFAOYSA-N 2 2 318.420 4.278 20 0 DIADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557190 1049062290 /nfs/dbraw/zinc/06/22/90/1049062290.db2.gz NGEKVKNAZIYSFH-QRQLOZEOSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001178557190 1049062306 /nfs/dbraw/zinc/06/23/06/1049062306.db2.gz NGEKVKNAZIYSFH-QRQLOZEOSA-N 2 2 300.490 4.065 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417967 1049073103 /nfs/dbraw/zinc/07/31/03/1049073103.db2.gz TYOBUYRYXKJMRR-SUYBPPKGSA-N 2 2 310.844 4.004 20 0 DIADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417967 1049073119 /nfs/dbraw/zinc/07/31/19/1049073119.db2.gz TYOBUYRYXKJMRR-SUYBPPKGSA-N 2 2 310.844 4.004 20 0 DIADLP CC(C)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001204167347 1049102960 /nfs/dbraw/zinc/10/29/60/1049102960.db2.gz LMIPHVFMHKSLPJ-UHFFFAOYSA-N 2 2 310.441 4.248 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001179044622 1049122512 /nfs/dbraw/zinc/12/25/12/1049122512.db2.gz LOUSVQSPUMUEII-GMNCBBECSA-N 2 2 306.538 4.445 20 0 DIADLP CC(C)(C)C1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001179044622 1049122519 /nfs/dbraw/zinc/12/25/19/1049122519.db2.gz LOUSVQSPUMUEII-GMNCBBECSA-N 2 2 306.538 4.445 20 0 DIADLP C([NH2+]C1CCC2(CCCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001179172885 1049139758 /nfs/dbraw/zinc/13/97/58/1049139758.db2.gz DFRFYPVGUMZMJR-IBGZPJMESA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+]C1CCC2(CCCC2)CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001179172885 1049139769 /nfs/dbraw/zinc/13/97/69/1049139769.db2.gz DFRFYPVGUMZMJR-IBGZPJMESA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+]C1CCC2(CCCC2)CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001179172886 1049140102 /nfs/dbraw/zinc/14/01/02/1049140102.db2.gz DFRFYPVGUMZMJR-LJQANCHMSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+]C1CCC2(CCCC2)CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001179172886 1049140108 /nfs/dbraw/zinc/14/01/08/1049140108.db2.gz DFRFYPVGUMZMJR-LJQANCHMSA-N 2 2 304.522 4.486 20 0 DIADLP Cc1c(Cl)ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1Cl ZINC001204431357 1049161969 /nfs/dbraw/zinc/16/19/69/1049161969.db2.gz OHBATKGZTGBRNF-ZDUSSCGKSA-N 2 2 315.288 4.075 20 0 DIADLP Cc1c(Cl)ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1Cl ZINC001204431357 1049161972 /nfs/dbraw/zinc/16/19/72/1049161972.db2.gz OHBATKGZTGBRNF-ZDUSSCGKSA-N 2 2 315.288 4.075 20 0 DIADLP Cc1c(Cl)ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1Cl ZINC001204431357 1049161975 /nfs/dbraw/zinc/16/19/75/1049161975.db2.gz OHBATKGZTGBRNF-ZDUSSCGKSA-N 2 2 315.288 4.075 20 0 DIADLP Cc1c(Cl)ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC001204431357 1049161976 /nfs/dbraw/zinc/16/19/76/1049161976.db2.gz OHBATKGZTGBRNF-ZDUSSCGKSA-N 2 2 315.288 4.075 20 0 DIADLP Clc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001204445658 1049164405 /nfs/dbraw/zinc/16/44/05/1049164405.db2.gz KVYPCQJHVJDACL-CQSZACIVSA-N 2 2 312.910 4.242 20 0 DIADLP Clc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001204445658 1049164407 /nfs/dbraw/zinc/16/44/07/1049164407.db2.gz KVYPCQJHVJDACL-CQSZACIVSA-N 2 2 312.910 4.242 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2ccccc2[nH]1 ZINC000775626869 1049458704 /nfs/dbraw/zinc/45/87/04/1049458704.db2.gz LDKIIYXNYJOJKP-OAHLLOKOSA-N 2 2 316.408 4.204 20 0 DIADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001181436718 1049481870 /nfs/dbraw/zinc/48/18/70/1049481870.db2.gz YZFHECLTRDRYJM-KXBFYZLASA-N 2 2 314.473 4.074 20 0 DIADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001181436718 1049481875 /nfs/dbraw/zinc/48/18/75/1049481875.db2.gz YZFHECLTRDRYJM-KXBFYZLASA-N 2 2 314.473 4.074 20 0 DIADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001205650371 1049523333 /nfs/dbraw/zinc/52/33/33/1049523333.db2.gz KRQFEBPJVBLLSH-IRFCIJBXSA-N 2 2 314.517 4.207 20 0 DIADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001205650371 1049523349 /nfs/dbraw/zinc/52/33/49/1049523349.db2.gz KRQFEBPJVBLLSH-IRFCIJBXSA-N 2 2 314.517 4.207 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001205667534 1049527370 /nfs/dbraw/zinc/52/73/70/1049527370.db2.gz MVTVMGFVEGAPIO-CXAGYDPISA-N 2 2 324.871 4.017 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001205667534 1049527387 /nfs/dbraw/zinc/52/73/87/1049527387.db2.gz MVTVMGFVEGAPIO-CXAGYDPISA-N 2 2 324.871 4.017 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001205667536 1049528226 /nfs/dbraw/zinc/52/82/26/1049528226.db2.gz MVTVMGFVEGAPIO-GUYCJALGSA-N 2 2 324.871 4.017 20 0 DIADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001205667536 1049528239 /nfs/dbraw/zinc/52/82/39/1049528239.db2.gz MVTVMGFVEGAPIO-GUYCJALGSA-N 2 2 324.871 4.017 20 0 DIADLP c1cn(Cc2cccc(-c3cccc([C@@H]4CCC[NH2+]4)c3)c2)c[nH+]1 ZINC000863690822 1049588882 /nfs/dbraw/zinc/58/88/82/1049588882.db2.gz WWMDYIKILJTUOA-FQEVSTJZSA-N 2 2 303.409 4.023 20 0 DIADLP Cc1cc(F)ccc1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000488592716 1049681292 /nfs/dbraw/zinc/68/12/92/1049681292.db2.gz SEHJGTBRTBKZQL-UHFFFAOYSA-N 2 2 315.417 4.013 20 0 DIADLP Cc1cc(F)ccc1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000488592716 1049681297 /nfs/dbraw/zinc/68/12/97/1049681297.db2.gz SEHJGTBRTBKZQL-UHFFFAOYSA-N 2 2 315.417 4.013 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1F ZINC001206591572 1049763992 /nfs/dbraw/zinc/76/39/92/1049763992.db2.gz SZEHMPAJEKXHSM-AWEZNQCLSA-N 2 2 312.860 4.140 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1F ZINC001206591572 1049763999 /nfs/dbraw/zinc/76/39/99/1049763999.db2.gz SZEHMPAJEKXHSM-AWEZNQCLSA-N 2 2 312.860 4.140 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001206648469 1049776138 /nfs/dbraw/zinc/77/61/38/1049776138.db2.gz ZGRSSQZYOFCTJQ-IAGOWNOFSA-N 2 2 308.897 4.124 20 0 DIADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001206648469 1049776145 /nfs/dbraw/zinc/77/61/45/1049776145.db2.gz ZGRSSQZYOFCTJQ-IAGOWNOFSA-N 2 2 308.897 4.124 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC001206696725 1049780535 /nfs/dbraw/zinc/78/05/35/1049780535.db2.gz CYAAZIBQXQDARS-NXHRZFHOSA-N 2 2 322.443 4.065 20 0 DIADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC001206696725 1049780545 /nfs/dbraw/zinc/78/05/45/1049780545.db2.gz CYAAZIBQXQDARS-NXHRZFHOSA-N 2 2 322.443 4.065 20 0 DIADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H](C)C2 ZINC000490167445 1049808475 /nfs/dbraw/zinc/80/84/75/1049808475.db2.gz JMWAXYXQMFELGZ-HRAATJIYSA-N 2 2 317.436 4.204 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001207059002 1049827826 /nfs/dbraw/zinc/82/78/26/1049827826.db2.gz SCCSJMZHILYVPF-CXAGYDPISA-N 2 2 324.871 4.017 20 0 DIADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001207059002 1049827837 /nfs/dbraw/zinc/82/78/37/1049827837.db2.gz SCCSJMZHILYVPF-CXAGYDPISA-N 2 2 324.871 4.017 20 0 DIADLP C[NH+]1CCC([N@H+](CCCCc2ccccc2)C2CCCC2)CC1 ZINC001207615297 1049918513 /nfs/dbraw/zinc/91/85/13/1049918513.db2.gz SAJBJLJODYKQLX-UHFFFAOYSA-N 2 2 314.517 4.348 20 0 DIADLP C[NH+]1CCC([N@@H+](CCCCc2ccccc2)C2CCCC2)CC1 ZINC001207615297 1049918516 /nfs/dbraw/zinc/91/85/16/1049918516.db2.gz SAJBJLJODYKQLX-UHFFFAOYSA-N 2 2 314.517 4.348 20 0 DIADLP C[C@@H](C[N@H+](C1CCCC1)C1CC[NH+](C)CC1)c1ccccc1 ZINC001207914045 1049954901 /nfs/dbraw/zinc/95/49/01/1049954901.db2.gz QUADNYAUKARTOG-KRWDZBQOSA-N 2 2 300.490 4.129 20 0 DIADLP C[C@@H](C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1)c1ccccc1 ZINC001207914045 1049954905 /nfs/dbraw/zinc/95/49/05/1049954905.db2.gz QUADNYAUKARTOG-KRWDZBQOSA-N 2 2 300.490 4.129 20 0 DIADLP CC[N@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001207937055 1049959568 /nfs/dbraw/zinc/95/95/68/1049959568.db2.gz NMTTVLYGSXJDOD-GOSISDBHSA-N 2 2 316.533 4.405 20 0 DIADLP CC[N@@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001207937055 1049959585 /nfs/dbraw/zinc/95/95/85/1049959585.db2.gz NMTTVLYGSXJDOD-GOSISDBHSA-N 2 2 316.533 4.405 20 0 DIADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCCC1 ZINC001208186932 1049982401 /nfs/dbraw/zinc/98/24/01/1049982401.db2.gz BEUFWEFATWSXIA-GOSISDBHSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCCC1 ZINC001208186932 1049982402 /nfs/dbraw/zinc/98/24/02/1049982402.db2.gz BEUFWEFATWSXIA-GOSISDBHSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CCCC1 ZINC001208191099 1049983052 /nfs/dbraw/zinc/98/30/52/1049983052.db2.gz KOOZFVDCEQXTHN-SFHVURJKSA-N 2 2 322.443 4.224 20 0 DIADLP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)CCCC1 ZINC001208191099 1049983058 /nfs/dbraw/zinc/98/30/58/1049983058.db2.gz KOOZFVDCEQXTHN-SFHVURJKSA-N 2 2 322.443 4.224 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC001208619228 1049997482 /nfs/dbraw/zinc/99/74/82/1049997482.db2.gz XCRMAECQIYZMOG-ZDUSSCGKSA-N 2 2 315.288 4.157 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC001208619228 1049997488 /nfs/dbraw/zinc/99/74/88/1049997488.db2.gz XCRMAECQIYZMOG-ZDUSSCGKSA-N 2 2 315.288 4.157 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC001208619228 1049997493 /nfs/dbraw/zinc/99/74/93/1049997493.db2.gz XCRMAECQIYZMOG-ZDUSSCGKSA-N 2 2 315.288 4.157 20 0 DIADLP CC[NH+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC001208619228 1049997498 /nfs/dbraw/zinc/99/74/98/1049997498.db2.gz XCRMAECQIYZMOG-ZDUSSCGKSA-N 2 2 315.288 4.157 20 0 DIADLP C[NH+]1CCC([N@@H+](Cc2ccco2)CC2CCCCCC2)CC1 ZINC000572408037 1050000951 /nfs/dbraw/zinc/00/09/51/1050000951.db2.gz KEAHFHPVSLQUKO-UHFFFAOYSA-N 2 2 304.478 4.146 20 0 DIADLP C[NH+]1CCC([N@H+](Cc2ccco2)CC2CCCCCC2)CC1 ZINC000572408037 1050000959 /nfs/dbraw/zinc/00/09/59/1050000959.db2.gz KEAHFHPVSLQUKO-UHFFFAOYSA-N 2 2 304.478 4.146 20 0 DIADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)Cn1cc[nH+]c1 ZINC000498352718 1050006565 /nfs/dbraw/zinc/00/65/65/1050006565.db2.gz ITVJYWYPHHRYNK-YZGWKJHDSA-N 2 2 311.473 4.225 20 0 DIADLP CC/C=C\CC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001208732985 1050007266 /nfs/dbraw/zinc/00/72/66/1050007266.db2.gz GTEHWLVCKFZEHX-PLNGDYQASA-N 2 2 304.453 4.078 20 0 DIADLP CC/C=C\CC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001208732985 1050007268 /nfs/dbraw/zinc/00/72/68/1050007268.db2.gz GTEHWLVCKFZEHX-PLNGDYQASA-N 2 2 304.453 4.078 20 0 DIADLP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000589635330 1050051777 /nfs/dbraw/zinc/05/17/77/1050051777.db2.gz RIPDWPYMGXQWEV-HNNXBMFYSA-N 2 2 316.408 4.204 20 0 DIADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000770739429 1050190515 /nfs/dbraw/zinc/19/05/15/1050190515.db2.gz ATUIAIXQCBZPBI-WOJBJXKFSA-N 2 2 317.436 4.298 20 0 DIADLP CC(C)[N@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136865200 1050204350 /nfs/dbraw/zinc/20/43/50/1050204350.db2.gz RXXOGPRRXBBOJX-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP CC(C)[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136865200 1050204363 /nfs/dbraw/zinc/20/43/63/1050204363.db2.gz RXXOGPRRXBBOJX-UHFFFAOYSA-N 2 2 319.880 4.126 20 0 DIADLP Clc1cscc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000771937563 1050300522 /nfs/dbraw/zinc/30/05/22/1050300522.db2.gz GFCKLVFJXJTGAN-UHFFFAOYSA-N 2 2 320.889 4.156 20 0 DIADLP Cc1cc(NCCCCCCC[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC000734835401 1050323874 /nfs/dbraw/zinc/32/38/74/1050323874.db2.gz VNWXKKCZOLWFMN-UHFFFAOYSA-N 2 2 316.493 4.121 20 0 DIADLP CCC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccsc1 ZINC000785563603 1050393566 /nfs/dbraw/zinc/39/35/66/1050393566.db2.gz OCHBXPRIZIGFBV-JKSUJKDBSA-N 2 2 305.491 4.490 20 0 DIADLP Cc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766214567 1050431600 /nfs/dbraw/zinc/43/16/00/1050431600.db2.gz XLHAARPKBRRRBJ-HNNXBMFYSA-N 2 2 309.388 4.171 20 0 DIADLP C[NH+](CCC[N@@H+](C)CC1CCC2(CC2)CC1)Cc1ccco1 ZINC001170062344 1050506854 /nfs/dbraw/zinc/50/68/54/1050506854.db2.gz QOHHPQLNIDHQTG-UHFFFAOYSA-N 2 2 304.478 4.004 20 0 DIADLP C[NH+](CCC[N@H+](C)CC1CCC2(CC2)CC1)Cc1ccco1 ZINC001170062344 1050506867 /nfs/dbraw/zinc/50/68/67/1050506867.db2.gz QOHHPQLNIDHQTG-UHFFFAOYSA-N 2 2 304.478 4.004 20 0 DIADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CCC2(CC2)CC1 ZINC001170062344 1050506881 /nfs/dbraw/zinc/50/68/81/1050506881.db2.gz QOHHPQLNIDHQTG-UHFFFAOYSA-N 2 2 304.478 4.004 20 0 DIADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CCC2(CC2)CC1 ZINC001170062344 1050506895 /nfs/dbraw/zinc/50/68/95/1050506895.db2.gz QOHHPQLNIDHQTG-UHFFFAOYSA-N 2 2 304.478 4.004 20 0 DIADLP CCc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001144319272 1050544275 /nfs/dbraw/zinc/54/42/75/1050544275.db2.gz XCOKBCJAYLWTEV-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP CCc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001144319272 1050544286 /nfs/dbraw/zinc/54/42/86/1050544286.db2.gz XCOKBCJAYLWTEV-UHFFFAOYSA-N 2 2 322.496 4.345 20 0 DIADLP CC(C)(C)c1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cc[nH+]1 ZINC001213164695 1050605289 /nfs/dbraw/zinc/60/52/89/1050605289.db2.gz YEUSJHUHCXYAIM-UHFFFAOYSA-N 2 2 300.793 4.424 20 0 DIADLP CCC[NH+](CCC)c1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000846059460 1050648770 /nfs/dbraw/zinc/64/87/70/1050648770.db2.gz WXKJBCAIQCVHMV-UHFFFAOYSA-N 2 2 300.450 4.142 20 0 DIADLP c1sc2ccccc2c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761128519 1050661132 /nfs/dbraw/zinc/66/11/32/1050661132.db2.gz WJUQXPPDWCXLGL-UHFFFAOYSA-N 2 2 323.465 4.373 20 0 DIADLP C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000846190294 1050693120 /nfs/dbraw/zinc/69/31/20/1050693120.db2.gz PMOZJCZWZGQWJE-IAOVAPTHSA-N 2 2 321.827 4.228 20 0 DIADLP CCCC[C@@H](CC(C)C)[N@@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246651962 1050806782 /nfs/dbraw/zinc/80/67/82/1050806782.db2.gz HCRDGLFYHVREJO-HNNXBMFYSA-N 2 2 302.453 4.055 20 0 DIADLP CCCC[C@@H](CC(C)C)[N@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246651962 1050806799 /nfs/dbraw/zinc/80/67/99/1050806799.db2.gz HCRDGLFYHVREJO-HNNXBMFYSA-N 2 2 302.453 4.055 20 0 DIADLP Cc1cccc2c1CC[C@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)C2 ZINC001171564123 1051168916 /nfs/dbraw/zinc/16/89/16/1051168916.db2.gz TZAHFYFRIGHYGI-IBGZPJMESA-N 2 2 317.436 4.047 20 0 DIADLP Cc1ccc(F)c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1F ZINC001171618720 1051177430 /nfs/dbraw/zinc/17/74/30/1051177430.db2.gz AUFFJVUDBIHMDW-UHFFFAOYSA-N 2 2 310.432 4.014 20 0 DIADLP Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001171657260 1051183728 /nfs/dbraw/zinc/18/37/28/1051183728.db2.gz DAGSGNZUIVSTBB-GOSISDBHSA-N 2 2 319.452 4.292 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969191 1051258046 /nfs/dbraw/zinc/25/80/46/1051258046.db2.gz UIIOALPZTOHBLB-MJGOQNOKSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969191 1051258060 /nfs/dbraw/zinc/25/80/60/1051258060.db2.gz UIIOALPZTOHBLB-MJGOQNOKSA-N 2 2 323.484 4.175 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975076 1051265786 /nfs/dbraw/zinc/26/57/86/1051265786.db2.gz KNKNDRSMEWBTSA-LPHOPBHVSA-N 2 2 312.457 4.373 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccoc1 ZINC001171975076 1051265795 /nfs/dbraw/zinc/26/57/95/1051265795.db2.gz KNKNDRSMEWBTSA-LPHOPBHVSA-N 2 2 312.457 4.373 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001215725938 1051324500 /nfs/dbraw/zinc/32/45/00/1051324500.db2.gz SFBXTIXIAIGCNK-UHFFFAOYSA-N 2 2 312.392 4.059 20 0 DIADLP CCCCCC[C@H](CCC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001172382965 1051388526 /nfs/dbraw/zinc/38/85/26/1051388526.db2.gz FVUBYJDFKBZYDR-SFHVURJKSA-N 2 2 312.542 4.168 20 0 DIADLP CCCCCC[C@H](CCC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001172382965 1051388534 /nfs/dbraw/zinc/38/85/34/1051388534.db2.gz FVUBYJDFKBZYDR-SFHVURJKSA-N 2 2 312.542 4.168 20 0 DIADLP CC[C@H](CC(C)C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172395195 1051395668 /nfs/dbraw/zinc/39/56/68/1051395668.db2.gz CNOCQQZCIJDUBB-LJQANCHMSA-N 2 2 302.506 4.408 20 0 DIADLP CC[C@H](CC(C)C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172395195 1051395672 /nfs/dbraw/zinc/39/56/72/1051395672.db2.gz CNOCQQZCIJDUBB-LJQANCHMSA-N 2 2 302.506 4.408 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565815 1051445095 /nfs/dbraw/zinc/44/50/95/1051445095.db2.gz OLHHBIXDGWDYTN-HSALFYBXSA-N 2 2 322.452 4.179 20 0 DIADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565815 1051445099 /nfs/dbraw/zinc/44/50/99/1051445099.db2.gz OLHHBIXDGWDYTN-HSALFYBXSA-N 2 2 322.452 4.179 20 0 DIADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172534844 1051449843 /nfs/dbraw/zinc/44/98/43/1051449843.db2.gz AXCUNSXVECNYMJ-AABGKKOBSA-N 2 2 300.490 4.033 20 0 DIADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172534844 1051449851 /nfs/dbraw/zinc/44/98/51/1051449851.db2.gz AXCUNSXVECNYMJ-AABGKKOBSA-N 2 2 300.490 4.033 20 0 DIADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC001168858493 1051452486 /nfs/dbraw/zinc/45/24/86/1051452486.db2.gz BXDNMCXMUXDAMH-UHFFFAOYSA-N 2 2 317.436 4.166 20 0 DIADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC001168858493 1051452507 /nfs/dbraw/zinc/45/25/07/1051452507.db2.gz BXDNMCXMUXDAMH-UHFFFAOYSA-N 2 2 317.436 4.166 20 0 DIADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001169068989 1051505877 /nfs/dbraw/zinc/50/58/77/1051505877.db2.gz CVEDJZCFRBIRSF-LJQANCHMSA-N 2 2 307.441 4.081 20 0 DIADLP CC(C)C[C@@H](Cc1ccccc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001169083807 1051513298 /nfs/dbraw/zinc/51/32/98/1051513298.db2.gz GRWSMCMVIYCVKI-MOPGFXCFSA-N 2 2 311.473 4.180 20 0 DIADLP CC(C)C[C@H](Cc1ccccc1)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001169086965 1051520690 /nfs/dbraw/zinc/52/06/90/1051520690.db2.gz ZKLURWPRXKLTOP-OAQYLSRUSA-N 2 2 316.533 4.448 20 0 DIADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001169086965 1051520697 /nfs/dbraw/zinc/52/06/97/1051520697.db2.gz ZKLURWPRXKLTOP-OAQYLSRUSA-N 2 2 316.533 4.448 20 0 DIADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(c1cccs1)c1cccs1)C2 ZINC001169124968 1051521559 /nfs/dbraw/zinc/52/15/59/1051521559.db2.gz UVALPBVHCYSHBN-ZSOGYDGISA-N 2 2 318.511 4.114 20 0 DIADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(c1cccs1)c1cccs1)C2 ZINC001169124968 1051521572 /nfs/dbraw/zinc/52/15/72/1051521572.db2.gz UVALPBVHCYSHBN-ZSOGYDGISA-N 2 2 318.511 4.114 20 0 DIADLP Cc1cn2c(cccc2Nc2ccc(C3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001212687036 1051532334 /nfs/dbraw/zinc/53/23/34/1051532334.db2.gz YCHANRWCDQMRFY-UHFFFAOYSA-N 2 2 320.440 4.196 20 0 DIADLP CCOc1ccc([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1C ZINC001169148857 1051534990 /nfs/dbraw/zinc/53/49/90/1051534990.db2.gz WKRVNHKRQRYMHP-APWZRJJASA-N 2 2 304.478 4.349 20 0 DIADLP CCOc1cc[nH+]cc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212687962 1051554096 /nfs/dbraw/zinc/55/40/96/1051554096.db2.gz XBVCRSAIDITXJQ-UHFFFAOYSA-N 2 2 311.429 4.033 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881214 1051564728 /nfs/dbraw/zinc/56/47/28/1051564728.db2.gz FNQWBJABIWHDHP-AWEZNQCLSA-N 2 2 323.893 4.039 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881214 1051564739 /nfs/dbraw/zinc/56/47/39/1051564739.db2.gz FNQWBJABIWHDHP-AWEZNQCLSA-N 2 2 323.893 4.039 20 0 DIADLP CCN(C)c1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC001212690202 1051569058 /nfs/dbraw/zinc/56/90/58/1051569058.db2.gz XAPDPNWORJALSM-UHFFFAOYSA-N 2 2 324.472 4.091 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000178757595 1051587495 /nfs/dbraw/zinc/58/74/95/1051587495.db2.gz KZGSWXZCXOOZSW-FUHIMQAGSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000178757595 1051587500 /nfs/dbraw/zinc/58/75/00/1051587500.db2.gz KZGSWXZCXOOZSW-FUHIMQAGSA-N 2 2 324.468 4.096 20 0 DIADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001173209206 1051647352 /nfs/dbraw/zinc/64/73/52/1051647352.db2.gz WQDQJDNWXLKCMU-LJQANCHMSA-N 2 2 322.496 4.283 20 0 DIADLP CC[C@H]1CC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272594 1051669188 /nfs/dbraw/zinc/66/91/88/1051669188.db2.gz JUDQBHBBNDEFNX-PXNSSMCTSA-N 2 2 300.490 4.162 20 0 DIADLP CC[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173272594 1051669192 /nfs/dbraw/zinc/66/91/92/1051669192.db2.gz JUDQBHBBNDEFNX-PXNSSMCTSA-N 2 2 300.490 4.162 20 0 DIADLP Cc1ccc(F)c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC001169821598 1051706484 /nfs/dbraw/zinc/70/64/84/1051706484.db2.gz MOBUXKURGCPEKD-UHFFFAOYSA-N 2 2 323.415 4.260 20 0 DIADLP Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC001169821598 1051706497 /nfs/dbraw/zinc/70/64/97/1051706497.db2.gz MOBUXKURGCPEKD-UHFFFAOYSA-N 2 2 323.415 4.260 20 0 DIADLP CCSc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000185489040 1051769744 /nfs/dbraw/zinc/76/97/44/1051769744.db2.gz GQZORJIMGMZJOP-UHFFFAOYSA-N 2 2 323.465 4.274 20 0 DIADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC2(CCc3ccccc32)CC1 ZINC001173691454 1051784237 /nfs/dbraw/zinc/78/42/37/1051784237.db2.gz MTTPWPAYEVYKHR-UHFFFAOYSA-N 2 2 323.484 4.032 20 0 DIADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC2(CCc3ccccc32)CC1 ZINC001173691454 1051784250 /nfs/dbraw/zinc/78/42/50/1051784250.db2.gz MTTPWPAYEVYKHR-UHFFFAOYSA-N 2 2 323.484 4.032 20 0 DIADLP CC(C)c1nc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000186211883 1051799298 /nfs/dbraw/zinc/79/92/98/1051799298.db2.gz DLGOCNCCWFJNHF-LBPRGKRZSA-N 2 2 309.523 4.226 20 0 DIADLP c1ccc(C[N@@H+]2CCC=C(Nc3cccc4cc[nH+]cc43)C2)cc1 ZINC001174396558 1052117830 /nfs/dbraw/zinc/11/78/30/1052117830.db2.gz HKJAFATYCUXPHP-UHFFFAOYSA-N 2 2 315.420 4.437 20 0 DIADLP c1ccc(C[N@H+]2CCC=C(Nc3cccc4cc[nH+]cc43)C2)cc1 ZINC001174396558 1052117836 /nfs/dbraw/zinc/11/78/36/1052117836.db2.gz HKJAFATYCUXPHP-UHFFFAOYSA-N 2 2 315.420 4.437 20 0 DIADLP Cc1cccc2[nH+]cc(Nc3ccc4c(c3)[nH+]cn4C(C)C)n21 ZINC001174382604 1052142614 /nfs/dbraw/zinc/14/26/14/1052142614.db2.gz YKQBSCVJPBSIDO-UHFFFAOYSA-N 2 2 305.385 4.317 20 0 DIADLP c1cc2c([nH]1)[nH+]ccc2Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001174412540 1052165684 /nfs/dbraw/zinc/16/56/84/1052165684.db2.gz OWCWBJONIDOAJE-UHFFFAOYSA-N 2 2 320.440 4.287 20 0 DIADLP Cc1ccccc1[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000495023348 1052199275 /nfs/dbraw/zinc/19/92/75/1052199275.db2.gz AMIAYXRQARDMEF-JXFKEZNVSA-N 2 2 309.457 4.097 20 0 DIADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000315633876 1052346374 /nfs/dbraw/zinc/34/63/74/1052346374.db2.gz YDDLTGSSCQWMKV-MLGOLLRUSA-N 2 2 323.843 4.441 20 0 DIADLP CSc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000315756094 1052350181 /nfs/dbraw/zinc/35/01/81/1052350181.db2.gz ILGWCTJTKCVXES-RHSMWYFYSA-N 2 2 317.502 4.371 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000237438703 1052440113 /nfs/dbraw/zinc/44/01/13/1052440113.db2.gz UCVCTNYGBHWAKF-CQSZACIVSA-N 2 2 311.816 4.377 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000237367614 1052440248 /nfs/dbraw/zinc/44/02/48/1052440248.db2.gz ARZANQHRJFCEJI-BEFAXECRSA-N 2 2 316.489 4.147 20 0 DIADLP CC(C)C1CCC(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000320023643 1052451457 /nfs/dbraw/zinc/45/14/57/1052451457.db2.gz KGNZRVFPMBTDNN-DAWZGUTISA-N 2 2 305.510 4.350 20 0 DIADLP Cc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1F ZINC001222161890 1052453706 /nfs/dbraw/zinc/45/37/06/1052453706.db2.gz SKRJHUVQHDUFEP-IBGZPJMESA-N 2 2 322.443 4.019 20 0 DIADLP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1F ZINC001222161890 1052453711 /nfs/dbraw/zinc/45/37/11/1052453711.db2.gz SKRJHUVQHDUFEP-IBGZPJMESA-N 2 2 322.443 4.019 20 0 DIADLP CSc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271200 1052471867 /nfs/dbraw/zinc/47/18/67/1052471867.db2.gz CWKLOZMRVVBCKW-QGZVFWFLSA-N 2 2 324.921 4.028 20 0 DIADLP CSc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271200 1052471870 /nfs/dbraw/zinc/47/18/70/1052471870.db2.gz CWKLOZMRVVBCKW-QGZVFWFLSA-N 2 2 324.921 4.028 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000316783439 1052472395 /nfs/dbraw/zinc/47/23/95/1052472395.db2.gz MXWHIDMSFVFRCC-QLFBSQMISA-N 2 2 300.446 4.129 20 0 DIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000316783439 1052472398 /nfs/dbraw/zinc/47/23/98/1052472398.db2.gz MXWHIDMSFVFRCC-QLFBSQMISA-N 2 2 300.446 4.129 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)c(Cl)c2)C1 ZINC001222362064 1052492094 /nfs/dbraw/zinc/49/20/94/1052492094.db2.gz OFMYUQPSNUHAJU-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)c(Cl)c2)C1 ZINC001222362064 1052492098 /nfs/dbraw/zinc/49/20/98/1052492098.db2.gz OFMYUQPSNUHAJU-CQSZACIVSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cc(Cl)cc(Cl)c2)C1 ZINC001222597477 1052515583 /nfs/dbraw/zinc/51/55/83/1052515583.db2.gz NOTRKBTVYXOBMT-MRXNPFEDSA-N 2 2 321.251 4.193 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cc(Cl)cc(Cl)c2)C1 ZINC001222597477 1052515590 /nfs/dbraw/zinc/51/55/90/1052515590.db2.gz NOTRKBTVYXOBMT-MRXNPFEDSA-N 2 2 321.251 4.193 20 0 DIADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000037141012 1052606136 /nfs/dbraw/zinc/60/61/36/1052606136.db2.gz YTGOAKVCGXMJMU-LLVKDONJSA-N 2 2 313.272 4.271 20 0 DIADLP c1ccc(Oc2cccc(C[NH+]3CCC4(CCC[NH2+]4)CC3)c2)cc1 ZINC001226783063 1052931130 /nfs/dbraw/zinc/93/11/30/1052931130.db2.gz DQRXDPJEEVIOSE-UHFFFAOYSA-N 2 2 322.452 4.197 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001227264599 1052977357 /nfs/dbraw/zinc/97/73/57/1052977357.db2.gz OTTNCKOXFBVRSB-ACDBMABISA-N 2 2 322.452 4.273 20 0 DIADLP Cc1cc[nH+]c(C)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001227264599 1052977361 /nfs/dbraw/zinc/97/73/61/1052977361.db2.gz OTTNCKOXFBVRSB-ACDBMABISA-N 2 2 322.452 4.273 20 0 DIADLP Cc1ccc([C@H](C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237582389 1053013220 /nfs/dbraw/zinc/01/32/20/1053013220.db2.gz PTXLBIYWFBDMEV-QGZVFWFLSA-N 2 2 305.425 4.074 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)o2)cc1 ZINC000616026500 1053043057 /nfs/dbraw/zinc/04/30/57/1053043057.db2.gz SULUNUCQNXVEKW-UHFFFAOYSA-N 2 2 309.413 4.022 20 0 DIADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001474625236 1053064302 /nfs/dbraw/zinc/06/43/02/1053064302.db2.gz KOLHSBYAJCIYQC-LESCRADOSA-N 2 2 320.908 4.439 20 0 DIADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001474625236 1053064314 /nfs/dbraw/zinc/06/43/14/1053064314.db2.gz KOLHSBYAJCIYQC-LESCRADOSA-N 2 2 320.908 4.439 20 0 DIADLP CCCCCC[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318703683 1053184706 /nfs/dbraw/zinc/18/47/06/1053184706.db2.gz RGSLTLYMVURRRR-CQSZACIVSA-N 2 2 314.433 4.121 20 0 DIADLP CC(C)[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000091283973 1053258090 /nfs/dbraw/zinc/25/80/90/1053258090.db2.gz PZZOYZAQDYHMIW-OAQYLSRUSA-N 2 2 319.452 4.418 20 0 DIADLP C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001320091050 1053304808 /nfs/dbraw/zinc/30/48/08/1053304808.db2.gz GFSGWMBUJQAZIX-UHFFFAOYSA-N 2 2 322.437 4.047 20 0 DIADLP CCc1cccc2cc(C[NH2+]CCCCNc3cccc[nH+]3)oc21 ZINC001200075892 1053356263 /nfs/dbraw/zinc/35/62/63/1053356263.db2.gz AZYGZJYBXQCLOS-UHFFFAOYSA-N 2 2 323.440 4.372 20 0 DIADLP CC(C)c1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152732635 1053518485 /nfs/dbraw/zinc/51/84/85/1053518485.db2.gz NKPPWNSDKDPMLM-INIZCTEOSA-N 2 2 311.473 4.236 20 0 DIADLP Cc1cc(C)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1C ZINC000152828060 1053533820 /nfs/dbraw/zinc/53/38/20/1053533820.db2.gz IATYEQYVBPLVOR-KRWDZBQOSA-N 2 2 311.473 4.038 20 0 DIADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)s1 ZINC000152820204 1053534534 /nfs/dbraw/zinc/53/45/34/1053534534.db2.gz FBZGOHFTTAVSAJ-CYBMUJFWSA-N 2 2 323.893 4.218 20 0 DIADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261918092 1053542943 /nfs/dbraw/zinc/54/29/43/1053542943.db2.gz REQAPLUOHLWVJZ-KURKYZTESA-N 2 2 310.441 4.336 20 0 DIADLP C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155134432 1053763700 /nfs/dbraw/zinc/76/37/00/1053763700.db2.gz WXZUOGWVGNTDBO-VLIAUNLRSA-N 2 2 321.399 4.350 20 0 DIADLP C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155134337 1053764983 /nfs/dbraw/zinc/76/49/83/1053764983.db2.gz WXZUOGWVGNTDBO-XOBRGWDASA-N 2 2 321.399 4.350 20 0 DIADLP CC(C)Oc1ccc2ccccc2c1C[N@H+](C)CCC[NH+](C)C ZINC001231734961 1053845994 /nfs/dbraw/zinc/84/59/94/1053845994.db2.gz GDJRSHAGZPTPPF-UHFFFAOYSA-N 2 2 314.473 4.011 20 0 DIADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CCC[NH+](C)C ZINC001231734961 1053846000 /nfs/dbraw/zinc/84/60/00/1053846000.db2.gz GDJRSHAGZPTPPF-UHFFFAOYSA-N 2 2 314.473 4.011 20 0 DIADLP CCCCc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001231784076 1053855968 /nfs/dbraw/zinc/85/59/68/1053855968.db2.gz PCOGKAVYGMYHBN-UHFFFAOYSA-N 2 2 302.506 4.334 20 0 DIADLP CCCCc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001231784076 1053855986 /nfs/dbraw/zinc/85/59/86/1053855986.db2.gz PCOGKAVYGMYHBN-UHFFFAOYSA-N 2 2 302.506 4.334 20 0 DIADLP CC(C)[N@H+](Cc1ccc(OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001231808734 1053865874 /nfs/dbraw/zinc/86/58/74/1053865874.db2.gz UGCWEMYAEPVCHM-UHFFFAOYSA-N 2 2 318.505 4.169 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001231808734 1053865888 /nfs/dbraw/zinc/86/58/88/1053865888.db2.gz UGCWEMYAEPVCHM-UHFFFAOYSA-N 2 2 318.505 4.169 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001231809225 1053868700 /nfs/dbraw/zinc/86/87/00/1053868700.db2.gz JDJVKIQINAISER-UGKGYDQZSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001231809225 1053868711 /nfs/dbraw/zinc/86/87/11/1053868711.db2.gz JDJVKIQINAISER-UGKGYDQZSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001231809225 1053868733 /nfs/dbraw/zinc/86/87/33/1053868733.db2.gz JDJVKIQINAISER-UGKGYDQZSA-N 2 2 320.480 4.188 20 0 DIADLP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001231809225 1053868750 /nfs/dbraw/zinc/86/87/50/1053868750.db2.gz JDJVKIQINAISER-UGKGYDQZSA-N 2 2 320.480 4.188 20 0 DIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000315179506 1053898672 /nfs/dbraw/zinc/89/86/72/1053898672.db2.gz XVOKGOJZVYSEQY-CYBMUJFWSA-N 2 2 311.351 4.033 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC001231878087 1053902847 /nfs/dbraw/zinc/90/28/47/1053902847.db2.gz FAMLNHQQBWPRJY-SFHVURJKSA-N 2 2 310.441 4.167 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC001231878087 1053902856 /nfs/dbraw/zinc/90/28/56/1053902856.db2.gz FAMLNHQQBWPRJY-SFHVURJKSA-N 2 2 310.441 4.167 20 0 DIADLP CCCC1CCC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001200724062 1053923058 /nfs/dbraw/zinc/92/30/58/1053923058.db2.gz QEACKNGWQKPUDB-UHFFFAOYSA-N 2 2 314.517 4.034 20 0 DIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763653368 1053946979 /nfs/dbraw/zinc/94/69/79/1053946979.db2.gz ZXFXUCUZGGWZBC-IZCBMXNHSA-N 2 2 319.320 4.282 20 0 DIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000763653368 1053946987 /nfs/dbraw/zinc/94/69/87/1053946987.db2.gz ZXFXUCUZGGWZBC-IZCBMXNHSA-N 2 2 319.320 4.282 20 0 DIADLP CCCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000621331297 1053948139 /nfs/dbraw/zinc/94/81/39/1053948139.db2.gz ZRHGQWPARJBDCG-UHFFFAOYSA-N 2 2 311.454 4.176 20 0 DIADLP CC[N@H+](Cc1ccc(C(C)(C)CC)cc1)C1CC[NH+](C)CC1 ZINC001232080128 1053956620 /nfs/dbraw/zinc/95/66/20/1053956620.db2.gz ASWKYHUGBBGUGL-UHFFFAOYSA-N 2 2 302.506 4.290 20 0 DIADLP CC[N@@H+](Cc1ccc(C(C)(C)CC)cc1)C1CC[NH+](C)CC1 ZINC001232080128 1053956625 /nfs/dbraw/zinc/95/66/25/1053956625.db2.gz ASWKYHUGBBGUGL-UHFFFAOYSA-N 2 2 302.506 4.290 20 0 DIADLP Fc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000324286950 1054060620 /nfs/dbraw/zinc/06/06/20/1054060620.db2.gz AGMAMJRGJHHYSG-HXUWFJFHSA-N 2 2 323.415 4.182 20 0 DIADLP CC[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000165573665 1054078719 /nfs/dbraw/zinc/07/87/19/1054078719.db2.gz BBBFURMCEKWJSZ-QGZVFWFLSA-N 2 2 319.452 4.487 20 0 DIADLP CC(C)c1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000848528549 1054128934 /nfs/dbraw/zinc/12/89/34/1054128934.db2.gz GDAQNDWLEHJZGZ-UHFFFAOYSA-N 2 2 305.425 4.286 20 0 DIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCCC(F)(F)F)c1ccccc1 ZINC001333722934 1054168823 /nfs/dbraw/zinc/16/88/23/1054168823.db2.gz BYBFCFCCRPYKPX-ZDUSSCGKSA-N 2 2 302.384 4.048 20 0 DIADLP CC[C@H](CC(F)F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000660243988 1054225489 /nfs/dbraw/zinc/22/54/89/1054225489.db2.gz CBXZIOYEQYKANB-OAHLLOKOSA-N 2 2 313.436 4.057 20 0 DIADLP Cc1[nH]c(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c(C)[nH+]1 ZINC001341044134 1054376888 /nfs/dbraw/zinc/37/68/88/1054376888.db2.gz KEVVISHHPDPFPE-INIZCTEOSA-N 2 2 311.454 4.162 20 0 DIADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623364167 1054572245 /nfs/dbraw/zinc/57/22/45/1054572245.db2.gz WRRNQUGHRMYGIL-UHFFFAOYSA-N 2 2 320.424 4.119 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235003104 1054640921 /nfs/dbraw/zinc/64/09/21/1054640921.db2.gz ZLPBFJKSPPJFTA-GOSISDBHSA-N 2 2 306.881 4.039 20 0 DIADLP CC(C)c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235003104 1054640927 /nfs/dbraw/zinc/64/09/27/1054640927.db2.gz ZLPBFJKSPPJFTA-GOSISDBHSA-N 2 2 306.881 4.039 20 0 DIADLP c1csc(-c2ccccc2C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235122427 1054661573 /nfs/dbraw/zinc/66/15/73/1054661573.db2.gz UKFWZDOLLUOXQH-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP c1csc(-c2ccccc2C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235122427 1054661581 /nfs/dbraw/zinc/66/15/81/1054661581.db2.gz UKFWZDOLLUOXQH-LJQANCHMSA-N 2 2 312.482 4.133 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235118216 1054662376 /nfs/dbraw/zinc/66/23/76/1054662376.db2.gz MDPDGDCJVOLEND-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235118216 1054662385 /nfs/dbraw/zinc/66/23/85/1054662385.db2.gz MDPDGDCJVOLEND-OAQYLSRUSA-N 2 2 324.443 4.211 20 0 DIADLP Cc1ccc(Cl)c(C[N@@H+]2CCCC23CC[NH2+]CC3)c1Cl ZINC001235143355 1054664432 /nfs/dbraw/zinc/66/44/32/1054664432.db2.gz CAUDVJOLTZNHHT-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP Cc1ccc(Cl)c(C[N@H+]2CCCC23CC[NH2+]CC3)c1Cl ZINC001235143355 1054664440 /nfs/dbraw/zinc/66/44/40/1054664440.db2.gz CAUDVJOLTZNHHT-UHFFFAOYSA-N 2 2 313.272 4.020 20 0 DIADLP Cc1cc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001235175267 1054672322 /nfs/dbraw/zinc/67/23/22/1054672322.db2.gz PSLKWKGUWCWGPZ-GHTZIAJQSA-N 2 2 324.443 4.033 20 0 DIADLP Cc1cc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc(C)c1-c1ccc(F)cc1 ZINC001235175267 1054672327 /nfs/dbraw/zinc/67/23/27/1054672327.db2.gz PSLKWKGUWCWGPZ-GHTZIAJQSA-N 2 2 324.443 4.033 20 0 DIADLP Cc1c2ccccc2oc1[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000179671627 1054694166 /nfs/dbraw/zinc/69/41/66/1054694166.db2.gz HLWRYRQUEYJDPF-SFHVURJKSA-N 2 2 311.429 4.315 20 0 DIADLP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000179675584 1054695269 /nfs/dbraw/zinc/69/52/69/1054695269.db2.gz JSFJQADYTVMWBP-GOSISDBHSA-N 2 2 315.461 4.049 20 0 DIADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001235540833 1054742384 /nfs/dbraw/zinc/74/23/84/1054742384.db2.gz PWWMKZXWWOPGAY-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001235540833 1054742395 /nfs/dbraw/zinc/74/23/95/1054742395.db2.gz PWWMKZXWWOPGAY-KRWDZBQOSA-N 2 2 316.832 4.005 20 0 DIADLP c1ccc2cc(C3CC[NH+](C[C@H]4CCCC[NH2+]4)CC3)ccc2c1 ZINC001235714093 1054785556 /nfs/dbraw/zinc/78/55/56/1054785556.db2.gz GXMGZQNQQSOYCT-OAQYLSRUSA-N 2 2 308.469 4.161 20 0 DIADLP CC[NH2+]C1CC[NH+](Cc2cccc(Oc3ccc(C)cc3)c2)CC1 ZINC001235726234 1054790381 /nfs/dbraw/zinc/79/03/81/1054790381.db2.gz LDQBTDPGSTWYOX-UHFFFAOYSA-N 2 2 324.468 4.361 20 0 DIADLP Cc1cc2ccccc2[nH+]c1NCc1ccc(CC[NH+](C)C)cc1 ZINC000527210137 1054793965 /nfs/dbraw/zinc/79/39/65/1054793965.db2.gz BLVROJXBLZHHAH-UHFFFAOYSA-N 2 2 319.452 4.259 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235926990 1054850777 /nfs/dbraw/zinc/85/07/77/1054850777.db2.gz FBWZCJQRPZKYES-SFHVURJKSA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)(C)Oc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235926990 1054850785 /nfs/dbraw/zinc/85/07/85/1054850785.db2.gz FBWZCJQRPZKYES-SFHVURJKSA-N 2 2 324.468 4.064 20 0 DIADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001235947662 1054865183 /nfs/dbraw/zinc/86/51/83/1054865183.db2.gz MHFWPWAYHFBVGR-UHFFFAOYSA-N 2 2 302.849 4.176 20 0 DIADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001235947662 1054865190 /nfs/dbraw/zinc/86/51/90/1054865190.db2.gz MHFWPWAYHFBVGR-UHFFFAOYSA-N 2 2 302.849 4.176 20 0 DIADLP CC[N@H+](Cc1sc2scc(C)c2c1C)[C@H]1CCC[NH2+]C1 ZINC001236005878 1054892112 /nfs/dbraw/zinc/89/21/12/1054892112.db2.gz GCFXFRGWCAJXQI-ZDUSSCGKSA-N 2 2 308.516 4.154 20 0 DIADLP CC[N@@H+](Cc1sc2scc(C)c2c1C)[C@H]1CCC[NH2+]C1 ZINC001236005878 1054892127 /nfs/dbraw/zinc/89/21/27/1054892127.db2.gz GCFXFRGWCAJXQI-ZDUSSCGKSA-N 2 2 308.516 4.154 20 0 DIADLP CC[N@H+](Cc1ccc2oc3ccccc3c2c1)[C@H]1CCC[NH2+]C1 ZINC001236007991 1054894373 /nfs/dbraw/zinc/89/43/73/1054894373.db2.gz OYTZFYGVEXSEHT-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP CC[N@@H+](Cc1ccc2oc3ccccc3c2c1)[C@H]1CCC[NH2+]C1 ZINC001236007991 1054894387 /nfs/dbraw/zinc/89/43/87/1054894387.db2.gz OYTZFYGVEXSEHT-INIZCTEOSA-N 2 2 308.425 4.160 20 0 DIADLP Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2F)c2[nH+]ccn2c1 ZINC001236013039 1054897504 /nfs/dbraw/zinc/89/75/04/1054897504.db2.gz YXRMERHPHDWETP-UHFFFAOYSA-N 2 2 323.415 4.435 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181082253 1054903849 /nfs/dbraw/zinc/90/38/49/1054903849.db2.gz ZKARRLMQARGOBD-LBPRGKRZSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181082253 1054903861 /nfs/dbraw/zinc/90/38/61/1054903861.db2.gz ZKARRLMQARGOBD-LBPRGKRZSA-N 2 2 312.244 4.273 20 0 DIADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc2c(ccc3ccccc23)o1 ZINC000181405709 1054912193 /nfs/dbraw/zinc/91/21/93/1054912193.db2.gz LNEVQIORCAAVRD-AWEZNQCLSA-N 2 2 305.381 4.133 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000181417784 1054912320 /nfs/dbraw/zinc/91/23/20/1054912320.db2.gz WLBBDOHOZWNYBP-AWEZNQCLSA-N 2 2 300.446 4.048 20 0 DIADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000181417765 1054913172 /nfs/dbraw/zinc/91/31/72/1054913172.db2.gz WLBBDOHOZWNYBP-CQSZACIVSA-N 2 2 300.446 4.048 20 0 DIADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001236144652 1054968880 /nfs/dbraw/zinc/96/88/80/1054968880.db2.gz RPHWSJRTXLQKOW-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001236144652 1054968891 /nfs/dbraw/zinc/96/88/91/1054968891.db2.gz RPHWSJRTXLQKOW-UHFFFAOYSA-N 2 2 322.374 4.153 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214166 1055001169 /nfs/dbraw/zinc/00/11/69/1055001169.db2.gz CNKAYCKCYQANRO-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214166 1055001185 /nfs/dbraw/zinc/00/11/85/1055001185.db2.gz CNKAYCKCYQANRO-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215856 1055006486 /nfs/dbraw/zinc/00/64/86/1055006486.db2.gz YMJGJMFQMAAIKD-DLBZAZTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215856 1055006500 /nfs/dbraw/zinc/00/65/00/1055006500.db2.gz YMJGJMFQMAAIKD-DLBZAZTESA-N 2 2 318.848 4.302 20 0 DIADLP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220817 1055008148 /nfs/dbraw/zinc/00/81/48/1055008148.db2.gz ZJPHVFPLPKYSPC-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220817 1055008163 /nfs/dbraw/zinc/00/81/63/1055008163.db2.gz ZJPHVFPLPKYSPC-UONOGXRCSA-N 2 2 320.786 4.061 20 0 DIADLP c1cn(CCC[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c[nH+]1 ZINC000182800941 1055010412 /nfs/dbraw/zinc/01/04/12/1055010412.db2.gz GROYNXDDXDEPSW-OAQYLSRUSA-N 2 2 317.436 4.073 20 0 DIADLP c1cn(CCC[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c[nH+]1 ZINC000182800941 1055010425 /nfs/dbraw/zinc/01/04/25/1055010425.db2.gz GROYNXDDXDEPSW-OAQYLSRUSA-N 2 2 317.436 4.073 20 0 DIADLP C[N@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218843 1055011205 /nfs/dbraw/zinc/01/12/05/1055011205.db2.gz UFFIDULUXOCZHW-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP C[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218843 1055011221 /nfs/dbraw/zinc/01/12/21/1055011221.db2.gz UFFIDULUXOCZHW-KBPBESRZSA-N 2 2 320.786 4.061 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236221394 1055011668 /nfs/dbraw/zinc/01/16/68/1055011668.db2.gz DDRGLCZZFLCVFO-FQEVSTJZSA-N 2 2 324.443 4.209 20 0 DIADLP Fc1ccc(-c2ccccc2C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236221394 1055011680 /nfs/dbraw/zinc/01/16/80/1055011680.db2.gz DDRGLCZZFLCVFO-FQEVSTJZSA-N 2 2 324.443 4.209 20 0 DIADLP c1cc2cccc(C[N@@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)c2o1 ZINC001236270979 1055047888 /nfs/dbraw/zinc/04/78/88/1055047888.db2.gz QKXSMQJTYNTDTH-HXUWFJFHSA-N 2 2 320.436 4.187 20 0 DIADLP c1cc2cccc(C[N@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)c2o1 ZINC001236270979 1055047898 /nfs/dbraw/zinc/04/78/98/1055047898.db2.gz QKXSMQJTYNTDTH-HXUWFJFHSA-N 2 2 320.436 4.187 20 0 DIADLP CC[NH+](CC)Cc1ccc(F)c(-c2cccc3[nH+]c(C)cn32)c1 ZINC001236316632 1055054233 /nfs/dbraw/zinc/05/42/33/1055054233.db2.gz BYNJGINLWYJKAQ-UHFFFAOYSA-N 2 2 311.404 4.291 20 0 DIADLP CCC[N@H+](Cc1sc2scc(C)c2c1C)[C@@H]1CC[NH2+]C1 ZINC001236324540 1055056956 /nfs/dbraw/zinc/05/69/56/1055056956.db2.gz QXUAGKNLOXUHMB-CYBMUJFWSA-N 2 2 308.516 4.154 20 0 DIADLP CCC[N@@H+](Cc1sc2scc(C)c2c1C)[C@@H]1CC[NH2+]C1 ZINC001236324540 1055056972 /nfs/dbraw/zinc/05/69/72/1055056972.db2.gz QXUAGKNLOXUHMB-CYBMUJFWSA-N 2 2 308.516 4.154 20 0 DIADLP CCC[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236324364 1055057436 /nfs/dbraw/zinc/05/74/36/1055057436.db2.gz UEKXRBNCIQFLLK-FQEVSTJZSA-N 2 2 312.432 4.067 20 0 DIADLP CCC[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236324364 1055057448 /nfs/dbraw/zinc/05/74/48/1055057448.db2.gz UEKXRBNCIQFLLK-FQEVSTJZSA-N 2 2 312.432 4.067 20 0 DIADLP Cc1ccc(F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236373674 1055078803 /nfs/dbraw/zinc/07/88/03/1055078803.db2.gz JBOMCYNMJDUEOI-OAHLLOKOSA-N 2 2 322.443 4.017 20 0 DIADLP Cc1ccc(F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236373674 1055078816 /nfs/dbraw/zinc/07/88/16/1055078816.db2.gz JBOMCYNMJDUEOI-OAHLLOKOSA-N 2 2 322.443 4.017 20 0 DIADLP CC(C)c1nc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236372963 1055078920 /nfs/dbraw/zinc/07/89/20/1055078920.db2.gz FTBMJTHARVYVDL-HNNXBMFYSA-N 2 2 321.534 4.011 20 0 DIADLP CC(C)c1nc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236372963 1055078931 /nfs/dbraw/zinc/07/89/31/1055078931.db2.gz FTBMJTHARVYVDL-HNNXBMFYSA-N 2 2 321.534 4.011 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236417603 1055104212 /nfs/dbraw/zinc/10/42/12/1055104212.db2.gz BZFDBJQJSFHZIS-DYESRHJHSA-N 2 2 323.484 4.075 20 0 DIADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001236417603 1055104217 /nfs/dbraw/zinc/10/42/17/1055104217.db2.gz BZFDBJQJSFHZIS-DYESRHJHSA-N 2 2 323.484 4.075 20 0 DIADLP CC(C)[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236529549 1055163413 /nfs/dbraw/zinc/16/34/13/1055163413.db2.gz NYMIXSPIZHWMKT-FQEVSTJZSA-N 2 2 312.432 4.065 20 0 DIADLP CC(C)[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236529549 1055163420 /nfs/dbraw/zinc/16/34/20/1055163420.db2.gz NYMIXSPIZHWMKT-FQEVSTJZSA-N 2 2 312.432 4.065 20 0 DIADLP c1csc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)c1 ZINC000125868052 1055168613 /nfs/dbraw/zinc/16/86/13/1055168613.db2.gz DJUXGOXAXGSYFN-SFHVURJKSA-N 2 2 309.438 4.175 20 0 DIADLP Clc1cccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1Cl ZINC001236633770 1055207726 /nfs/dbraw/zinc/20/77/26/1055207726.db2.gz LHQVLBSVEVCAKY-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP Clc1cccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1Cl ZINC001236633770 1055207734 /nfs/dbraw/zinc/20/77/34/1055207734.db2.gz LHQVLBSVEVCAKY-UHFFFAOYSA-N 2 2 313.272 4.100 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000383482369 1055281688 /nfs/dbraw/zinc/28/16/88/1055281688.db2.gz SQYUZFGHPIYEQI-KPFFTGBYSA-N 2 2 324.468 4.015 20 0 DIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000383482369 1055281698 /nfs/dbraw/zinc/28/16/98/1055281698.db2.gz SQYUZFGHPIYEQI-KPFFTGBYSA-N 2 2 324.468 4.015 20 0 DIADLP Clc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236906148 1055310229 /nfs/dbraw/zinc/31/02/29/1055310229.db2.gz IGIAGLXCRLYFJO-HOTGVXAUSA-N 2 2 315.848 4.148 20 0 DIADLP Clc1cc(C[NH+]2CCCCCCC2)ccc1-n1cc[nH+]c1 ZINC001236913450 1055310527 /nfs/dbraw/zinc/31/05/27/1055310527.db2.gz GAUFFDICHNEVFP-UHFFFAOYSA-N 2 2 303.837 4.292 20 0 DIADLP C[N@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236906346 1055311304 /nfs/dbraw/zinc/31/13/04/1055311304.db2.gz VJQKUHXWQFKIHU-UHFFFAOYSA-N 2 2 317.845 4.219 20 0 DIADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913483 1055313021 /nfs/dbraw/zinc/31/30/21/1055313021.db2.gz GNHIUHNRWHDCTP-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913483 1055313038 /nfs/dbraw/zinc/31/30/38/1055313038.db2.gz GNHIUHNRWHDCTP-UONOGXRCSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916801 1055314950 /nfs/dbraw/zinc/31/49/50/1055314950.db2.gz AJABGKOGGVHJIA-QGZVFWFLSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916801 1055314967 /nfs/dbraw/zinc/31/49/67/1055314967.db2.gz AJABGKOGGVHJIA-QGZVFWFLSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1C ZINC001236914032 1055318565 /nfs/dbraw/zinc/31/85/65/1055318565.db2.gz LFGWCUYMLHUMLV-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1C ZINC001236914032 1055318584 /nfs/dbraw/zinc/31/85/84/1055318584.db2.gz LFGWCUYMLHUMLV-KBPBESRZSA-N 2 2 303.837 4.146 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000765252917 1055344149 /nfs/dbraw/zinc/34/41/49/1055344149.db2.gz TUNQUDKXJUSMNB-IRXDYDNUSA-N 2 2 317.864 4.228 20 0 DIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000765249389 1055344594 /nfs/dbraw/zinc/34/45/94/1055344594.db2.gz HYYVNRSPLRVPJS-NVXWUHKLSA-N 2 2 315.461 4.194 20 0 DIADLP C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765361890 1055371301 /nfs/dbraw/zinc/37/13/01/1055371301.db2.gz ZSZJVSRXUFOBJX-HZPDHXFCSA-N 2 2 323.415 4.466 20 0 DIADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@H]1CC1(C)C ZINC000785432515 1055376723 /nfs/dbraw/zinc/37/67/23/1055376723.db2.gz UQMNONKVUNVWRM-DNVCBOLYSA-N 2 2 315.505 4.064 20 0 DIADLP c1cc2c(cccc2C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)o1 ZINC001237310909 1055424685 /nfs/dbraw/zinc/42/46/85/1055424685.db2.gz OHECPXQYLNSVAN-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP c1cc2c(cccc2C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)o1 ZINC001237310909 1055424690 /nfs/dbraw/zinc/42/46/90/1055424690.db2.gz OHECPXQYLNSVAN-UHFFFAOYSA-N 2 2 318.420 4.027 20 0 DIADLP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)o1 ZINC001237360208 1055439517 /nfs/dbraw/zinc/43/95/17/1055439517.db2.gz VIMXQUSKJYKVKZ-INIZCTEOSA-N 2 2 324.468 4.176 20 0 DIADLP CCSc1cccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)c1 ZINC001621467762 1055440332 /nfs/dbraw/zinc/44/03/32/1055440332.db2.gz CRDJYBPGUKAVCS-UHFFFAOYSA-N 2 2 306.519 4.105 20 0 DIADLP CC(C)c1cccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001237374239 1055441777 /nfs/dbraw/zinc/44/17/77/1055441777.db2.gz CRSOBTHGJGXWLM-UHFFFAOYSA-N 2 2 320.480 4.405 20 0 DIADLP CC(C)c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237413145 1055451035 /nfs/dbraw/zinc/45/10/35/1055451035.db2.gz JMMUXBQGNZYYGW-QAPCUYQASA-N 2 2 306.881 4.037 20 0 DIADLP CC(C)c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237413145 1055451040 /nfs/dbraw/zinc/45/10/40/1055451040.db2.gz JMMUXBQGNZYYGW-QAPCUYQASA-N 2 2 306.881 4.037 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(Cl)c2C)C1 ZINC001237732607 1055515983 /nfs/dbraw/zinc/51/59/83/1055515983.db2.gz MTPPQLZTVNQOHM-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C)C1 ZINC001237732607 1055515996 /nfs/dbraw/zinc/51/59/96/1055515996.db2.gz MTPPQLZTVNQOHM-INIZCTEOSA-N 2 2 316.832 4.005 20 0 DIADLP CCc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1Cl ZINC001237739574 1055519303 /nfs/dbraw/zinc/51/93/03/1055519303.db2.gz FJXMWFNPRXAOPN-UHFFFAOYSA-N 2 2 308.897 4.207 20 0 DIADLP CCc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1Cl ZINC001237739574 1055519316 /nfs/dbraw/zinc/51/93/16/1055519316.db2.gz FJXMWFNPRXAOPN-UHFFFAOYSA-N 2 2 308.897 4.207 20 0 DIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000387279266 1055556238 /nfs/dbraw/zinc/55/62/38/1055556238.db2.gz JUHINJHJOROSCQ-ZDUSSCGKSA-N 2 2 320.506 4.077 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2csc3ccccc23)C1 ZINC001238893578 1055785119 /nfs/dbraw/zinc/78/51/19/1055785119.db2.gz STAOXVOTHCRWEE-OAHLLOKOSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2csc3ccccc23)C1 ZINC001238893578 1055785129 /nfs/dbraw/zinc/78/51/29/1055785129.db2.gz STAOXVOTHCRWEE-OAHLLOKOSA-N 2 2 308.450 4.101 20 0 DIADLP Cc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(C)c1 ZINC000057681771 1055786061 /nfs/dbraw/zinc/78/60/61/1055786061.db2.gz OTGXUECMQZLPMY-OAQYLSRUSA-N 2 2 308.469 4.230 20 0 DIADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000061012141 1055857807 /nfs/dbraw/zinc/85/78/07/1055857807.db2.gz TZWXUQKZFMYIDL-UHFFFAOYSA-N 2 2 320.864 4.277 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@H+](C)C2CCC(C(C)(C)C)CC2)s1 ZINC000347585983 1055859767 /nfs/dbraw/zinc/85/97/67/1055859767.db2.gz GHYBYUSTXHSQPP-UHFFFAOYSA-N 2 2 323.550 4.241 20 0 DIADLP C[NH+](C)Cc1cnc(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)s1 ZINC000347585983 1055859775 /nfs/dbraw/zinc/85/97/75/1055859775.db2.gz GHYBYUSTXHSQPP-UHFFFAOYSA-N 2 2 323.550 4.241 20 0 DIADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccccc3C)CCCCC2)n1C ZINC001620762344 1055933830 /nfs/dbraw/zinc/93/38/30/1055933830.db2.gz QURUFESWGZYMHT-UHFFFAOYSA-N 2 2 311.473 4.029 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC001620987666 1055959918 /nfs/dbraw/zinc/95/99/18/1055959918.db2.gz CMCQJRCYRRBICB-FCHUYYIVSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC001620987666 1055959929 /nfs/dbraw/zinc/95/99/29/1055959929.db2.gz CMCQJRCYRRBICB-FCHUYYIVSA-N 2 2 320.480 4.460 20 0 DIADLP CCO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001620788302 1055963864 /nfs/dbraw/zinc/96/38/64/1055963864.db2.gz DARBMXZIBGOMDH-NZSAHSFTSA-N 2 2 318.505 4.053 20 0 DIADLP CC(C)(C)c1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239607178 1055976334 /nfs/dbraw/zinc/97/63/34/1055976334.db2.gz WERBNVDRDZGLCR-LJQANCHMSA-N 2 2 308.469 4.184 20 0 DIADLP CC(C)(C)c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239607178 1055976341 /nfs/dbraw/zinc/97/63/41/1055976341.db2.gz WERBNVDRDZGLCR-LJQANCHMSA-N 2 2 308.469 4.184 20 0 DIADLP CCC[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C=CCCC1 ZINC001620665167 1055979864 /nfs/dbraw/zinc/97/98/64/1055979864.db2.gz XXILVZGRRNXELY-FQEVSTJZSA-N 2 2 312.501 4.472 20 0 DIADLP CCC[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1C=CCCC1 ZINC001620665167 1055979873 /nfs/dbraw/zinc/97/98/73/1055979873.db2.gz XXILVZGRRNXELY-FQEVSTJZSA-N 2 2 312.501 4.472 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001621017677 1055983750 /nfs/dbraw/zinc/98/37/50/1055983750.db2.gz YYKUEVPHOKRQMW-ZCNNSNEGSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001621017677 1055983761 /nfs/dbraw/zinc/98/37/61/1055983761.db2.gz YYKUEVPHOKRQMW-ZCNNSNEGSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001621017676 1055984125 /nfs/dbraw/zinc/98/41/25/1055984125.db2.gz YYKUEVPHOKRQMW-UFYCRDLUSA-N 2 2 300.490 4.177 20 0 DIADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001621017676 1055984137 /nfs/dbraw/zinc/98/41/37/1055984137.db2.gz YYKUEVPHOKRQMW-UFYCRDLUSA-N 2 2 300.490 4.177 20 0 DIADLP c1ccc(-c2ccccc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001621027718 1055992590 /nfs/dbraw/zinc/99/25/90/1055992590.db2.gz WIWUXAUDADUPQU-OAQYLSRUSA-N 2 2 320.480 4.460 20 0 DIADLP c1ccc(-c2ccccc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001621027718 1055992601 /nfs/dbraw/zinc/99/26/01/1055992601.db2.gz WIWUXAUDADUPQU-OAQYLSRUSA-N 2 2 320.480 4.460 20 0 DIADLP C[C@H](C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1)Cn1cc[nH+]c1 ZINC001649102216 1056000073 /nfs/dbraw/zinc/00/00/73/1056000073.db2.gz ZMVLGIFZDGSWJW-OAHLLOKOSA-N 2 2 309.457 4.064 20 0 DIADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316057 1056018042 /nfs/dbraw/zinc/01/80/42/1056018042.db2.gz WXNHQASTPOHACS-RHSMWYFYSA-N 2 2 303.475 4.334 20 0 DIADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001621316057 1056018053 /nfs/dbraw/zinc/01/80/53/1056018053.db2.gz WXNHQASTPOHACS-RHSMWYFYSA-N 2 2 303.475 4.334 20 0 DIADLP Cc1ccc([C@@H](CNc2cc(C)[nH+]c(C3CCC3)n2)[NH+](C)C)cc1 ZINC001611882624 1056202428 /nfs/dbraw/zinc/20/24/28/1056202428.db2.gz LJZCEZKKZAWREO-GOSISDBHSA-N 2 2 324.472 4.076 20 0 DIADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240217163 1056376975 /nfs/dbraw/zinc/37/69/75/1056376975.db2.gz FGILRIXKNBJSEY-LJQANCHMSA-N 2 2 320.440 4.333 20 0 DIADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240217163 1056376990 /nfs/dbraw/zinc/37/69/90/1056376990.db2.gz FGILRIXKNBJSEY-LJQANCHMSA-N 2 2 320.440 4.333 20 0 DIADLP CC[NH+]1CCC(c2ccc(-c3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001240220734 1056377651 /nfs/dbraw/zinc/37/76/51/1056377651.db2.gz LKIHRGZBUZQCIF-UHFFFAOYSA-N 2 2 305.425 4.201 20 0 DIADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240503412 1056540694 /nfs/dbraw/zinc/54/06/94/1056540694.db2.gz OZGDEAMZYLMRNE-IBGZPJMESA-N 2 2 320.440 4.333 20 0 DIADLP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240503412 1056540710 /nfs/dbraw/zinc/54/07/10/1056540710.db2.gz OZGDEAMZYLMRNE-IBGZPJMESA-N 2 2 320.440 4.333 20 0 DIADLP Fc1cc(-c2ccn3cc[nH+]c3c2)ccc1C[NH+]1CCCCC1 ZINC001240519152 1056548144 /nfs/dbraw/zinc/54/81/44/1056548144.db2.gz ZFWCGZGXSMFZEL-UHFFFAOYSA-N 2 2 309.388 4.126 20 0 DIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893940 1056592457 /nfs/dbraw/zinc/59/24/57/1056592457.db2.gz GONYULLWCAJUOF-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893940 1056592470 /nfs/dbraw/zinc/59/24/70/1056592470.db2.gz GONYULLWCAJUOF-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893940 1056592479 /nfs/dbraw/zinc/59/24/79/1056592479.db2.gz GONYULLWCAJUOF-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001615893940 1056592489 /nfs/dbraw/zinc/59/24/89/1056592489.db2.gz GONYULLWCAJUOF-BLLLJJGKSA-N 2 2 315.288 4.156 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc3ccccc3o2)[nH+]1 ZINC001616208994 1056620771 /nfs/dbraw/zinc/62/07/71/1056620771.db2.gz YEOHEHVRILDIDO-QGZVFWFLSA-N 2 2 321.424 4.213 20 0 DIADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc3ccccc3o2)[nH+]1 ZINC001616208994 1056620781 /nfs/dbraw/zinc/62/07/81/1056620781.db2.gz YEOHEHVRILDIDO-QGZVFWFLSA-N 2 2 321.424 4.213 20 0 DIADLP Cc1ccccc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620832673 1056709914 /nfs/dbraw/zinc/70/99/14/1056709914.db2.gz NSWHRUNRQSHFDR-NRFANRHFSA-N 2 2 322.496 4.180 20 0 DIADLP Cc1ccccc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620832673 1056709928 /nfs/dbraw/zinc/70/99/28/1056709928.db2.gz NSWHRUNRQSHFDR-NRFANRHFSA-N 2 2 322.496 4.180 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1F ZINC001616794863 1056720451 /nfs/dbraw/zinc/72/04/51/1056720451.db2.gz PJXGQHIHTVNUJC-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001616824849 1056724696 /nfs/dbraw/zinc/72/46/96/1056724696.db2.gz TVFHXBXTHCEWBF-VQTJNVASSA-N 2 2 320.496 4.245 20 0 DIADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC001616824849 1056724702 /nfs/dbraw/zinc/72/47/02/1056724702.db2.gz TVFHXBXTHCEWBF-VQTJNVASSA-N 2 2 320.496 4.245 20 0 DIADLP Cc1cccc(Cl)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001616950801 1056745119 /nfs/dbraw/zinc/74/51/19/1056745119.db2.gz IMGAGVPIGIIEQD-UHFFFAOYSA-N 2 2 315.848 4.120 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3ccccc3c2)C1 ZINC001240910952 1056755650 /nfs/dbraw/zinc/75/56/50/1056755650.db2.gz LWJLNRTYSFIIRE-FQEVSTJZSA-N 2 2 302.421 4.040 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ccccc3c2)C1 ZINC001240910952 1056755656 /nfs/dbraw/zinc/75/56/56/1056755656.db2.gz LWJLNRTYSFIIRE-FQEVSTJZSA-N 2 2 302.421 4.040 20 0 DIADLP Cc1cc(C)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001617161931 1056785221 /nfs/dbraw/zinc/78/52/21/1056785221.db2.gz JLLXGFSHYUQDIX-UHFFFAOYSA-N 2 2 311.473 4.192 20 0 DIADLP CC[NH+](CC)Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1 ZINC001241583606 1057098931 /nfs/dbraw/zinc/09/89/31/1057098931.db2.gz UHOCUDTVDBXGAO-UHFFFAOYSA-N 2 2 319.452 4.440 20 0 DIADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2/C=C/c2ccc(Cl)cc2)C1 ZINC001241586888 1057100121 /nfs/dbraw/zinc/10/01/21/1057100121.db2.gz NDIPWDKETHOARU-MEQKGCOVSA-N 2 2 312.844 4.043 20 0 DIADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2/C=C/c2ccc(Cl)cc2)C1 ZINC001241586888 1057100123 /nfs/dbraw/zinc/10/01/23/1057100123.db2.gz NDIPWDKETHOARU-MEQKGCOVSA-N 2 2 312.844 4.043 20 0 DIADLP Cc1scc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000631081699 1057100661 /nfs/dbraw/zinc/10/06/61/1057100661.db2.gz VAGRNWAAQYGKPU-CQSZACIVSA-N 2 2 311.454 4.401 20 0 DIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCC2 ZINC001168742009 1057129373 /nfs/dbraw/zinc/12/93/73/1057129373.db2.gz ZCOLYTSVPAELHX-MRXNPFEDSA-N 2 2 317.436 4.212 20 0 DIADLP CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347816065 1057138002 /nfs/dbraw/zinc/13/80/02/1057138002.db2.gz OBPQKUDGBCAZEL-GOSISDBHSA-N 2 2 317.502 4.034 20 0 DIADLP CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347816065 1057138007 /nfs/dbraw/zinc/13/80/07/1057138007.db2.gz OBPQKUDGBCAZEL-GOSISDBHSA-N 2 2 317.502 4.034 20 0 DIADLP Cc1cc(-c2ccc3ncn([C@H]4CCC[NH2+]CC4)c3c2)cc(C)[nH+]1 ZINC001241992687 1057232381 /nfs/dbraw/zinc/23/23/81/1057232381.db2.gz WJEGWQIVWDEWKW-SFHVURJKSA-N 2 2 320.440 4.030 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917779 1057430731 /nfs/dbraw/zinc/43/07/31/1057430731.db2.gz DNYTYOADGXEHIJ-QAPCUYQASA-N 2 2 323.440 4.210 20 0 DIADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000675920461 1057430863 /nfs/dbraw/zinc/43/08/63/1057430863.db2.gz RLXYTIZBWKWPNF-PXNSSMCTSA-N 2 2 319.452 4.363 20 0 DIADLP CCc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917777 1057430942 /nfs/dbraw/zinc/43/09/42/1057430942.db2.gz DNYTYOADGXEHIJ-CRAIPNDOSA-N 2 2 323.440 4.210 20 0 DIADLP CC(C)=CCC[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920235 1057431264 /nfs/dbraw/zinc/43/12/64/1057431264.db2.gz JQNYZTONCAFUDF-HKUYNNGSSA-N 2 2 311.473 4.428 20 0 DIADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccs1 ZINC000675918251 1057431281 /nfs/dbraw/zinc/43/12/81/1057431281.db2.gz FSSQGLNRQFWZHC-GOEBONIOSA-N 2 2 311.454 4.116 20 0 DIADLP CCCC[C@@H](CC)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000525874998 1057656392 /nfs/dbraw/zinc/65/63/92/1057656392.db2.gz DMKHVXLDSXZLFS-QGZVFWFLSA-N 2 2 303.494 4.247 20 0 DIADLP c1cn(Cc2ccc(-c3ccc([C@H]4CCC[NH2+]C4)cc3)cc2)c[nH+]1 ZINC001243659564 1057747219 /nfs/dbraw/zinc/74/72/19/1057747219.db2.gz YSGZXPALPOPSPJ-NRFANRHFSA-N 2 2 317.436 4.065 20 0 DIADLP Cc1c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cccc1C1CC1 ZINC001244131460 1057880797 /nfs/dbraw/zinc/88/07/97/1057880797.db2.gz AWJIBMVOSVKBQI-GOSISDBHSA-N 2 2 306.453 4.072 20 0 DIADLP Cc1c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cccc1C1CC1 ZINC001244131460 1057880800 /nfs/dbraw/zinc/88/08/00/1057880800.db2.gz AWJIBMVOSVKBQI-GOSISDBHSA-N 2 2 306.453 4.072 20 0 DIADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1C(C)C ZINC001244134164 1057882938 /nfs/dbraw/zinc/88/29/38/1057882938.db2.gz NWQJKDOGBJGPAZ-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1C(C)C ZINC001244134164 1057882939 /nfs/dbraw/zinc/88/29/39/1057882939.db2.gz NWQJKDOGBJGPAZ-IBGZPJMESA-N 2 2 324.468 4.019 20 0 DIADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3sccc3c2)C1 ZINC001244298742 1057926546 /nfs/dbraw/zinc/92/65/46/1057926546.db2.gz SQASJHPJVLMGET-QGZVFWFLSA-N 2 2 308.450 4.101 20 0 DIADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3sccc3c2)C1 ZINC001244298742 1057926548 /nfs/dbraw/zinc/92/65/48/1057926548.db2.gz SQASJHPJVLMGET-QGZVFWFLSA-N 2 2 308.450 4.101 20 0 DIADLP Fc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1-n1cc[nH+]c1 ZINC001245357679 1058151468 /nfs/dbraw/zinc/15/14/68/1058151468.db2.gz RGCFOYBRVWBPTI-GOSISDBHSA-N 2 2 307.372 4.103 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1Cl ZINC001245826719 1058521693 /nfs/dbraw/zinc/52/16/93/1058521693.db2.gz PNQURVDMEGVQCJ-MRXNPFEDSA-N 2 2 314.860 4.157 20 0 DIADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1Cl ZINC001245826719 1058521706 /nfs/dbraw/zinc/52/17/06/1058521706.db2.gz PNQURVDMEGVQCJ-MRXNPFEDSA-N 2 2 314.860 4.157 20 0 DIADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC001246143630 1058696653 /nfs/dbraw/zinc/69/66/53/1058696653.db2.gz RSZNCZYBUHBKFD-HRAFCDAUSA-N 2 2 320.480 4.406 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc(C)c2F)C[C@H](CC)[NH2+]1 ZINC001246157879 1058703757 /nfs/dbraw/zinc/70/37/57/1058703757.db2.gz CPPFUBNSTQIZGO-BTTYYORXSA-N 2 2 312.860 4.186 20 0 DIADLP CC[C@@H]1CC([NH2+]Cc2c(F)ccc(C)c2Cl)C[C@@H](CC)[NH2+]1 ZINC001246161545 1058705167 /nfs/dbraw/zinc/70/51/67/1058705167.db2.gz ZWIAHEYDRYGKLO-CHWSQXEVSA-N 2 2 312.860 4.186 20 0 DIADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170560 1058713725 /nfs/dbraw/zinc/71/37/25/1058713725.db2.gz NBMJYQADIHIBEJ-AEFFLSMTSA-N 2 2 318.823 4.062 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2cccc(Cl)c2Cl)C[C@H](CC)[NH2+]1 ZINC001246175811 1058720048 /nfs/dbraw/zinc/72/00/48/1058720048.db2.gz MZBQOKWLROJKMA-STQMWFEESA-N 2 2 315.288 4.392 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246175077 1058720728 /nfs/dbraw/zinc/72/07/28/1058720728.db2.gz XWOOVRRJQZVLGU-GJZGRUSLSA-N 2 2 315.288 4.394 20 0 DIADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246175209 1058721160 /nfs/dbraw/zinc/72/11/60/1058721160.db2.gz IJJDCGDPBWVZMI-KBPBESRZSA-N 2 2 315.288 4.394 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246178999 1058722380 /nfs/dbraw/zinc/72/23/80/1058722380.db2.gz CBVUUQUNEWXEEH-ZFWWWQNUSA-N 2 2 315.288 4.250 20 0 DIADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246178998 1058723597 /nfs/dbraw/zinc/72/35/97/1058723597.db2.gz CBVUUQUNEWXEEH-UKRRQHHQSA-N 2 2 315.288 4.250 20 0 DIADLP Fc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246180922 1058728351 /nfs/dbraw/zinc/72/83/51/1058728351.db2.gz SZEDRICOTGVTMX-AEFFLSMTSA-N 2 2 318.823 4.062 20 0 DIADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2(F)CCCCC2)CC[NH2+]1 ZINC001246187835 1058731271 /nfs/dbraw/zinc/73/12/71/1058731271.db2.gz XGAZWAFZGCVJKQ-AEFFLSMTSA-N 2 2 322.443 4.189 20 0 DIADLP CCCCC(CCCC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197180 1058737773 /nfs/dbraw/zinc/73/77/73/1058737773.db2.gz YWMMYMRSKIAETE-OAHLLOKOSA-N 2 2 308.432 4.256 20 0 DIADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210071 1058744632 /nfs/dbraw/zinc/74/46/32/1058744632.db2.gz IASDNOZPOUDQCP-XJKSGUPXSA-N 2 2 306.881 4.085 20 0 DIADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1Cl ZINC001246230897 1058754420 /nfs/dbraw/zinc/75/44/20/1058754420.db2.gz APZGVASJTDDQIK-RDJZCZTQSA-N 2 2 318.823 4.062 20 0 DIADLP CC[C@@H]1CC([NH2+][C@@H](c2ccccc2)c2ccccn2)C[C@@H](CC)[NH2+]1 ZINC001246233775 1058755760 /nfs/dbraw/zinc/75/57/60/1058755760.db2.gz DZYBJJAMEAQPBG-OPYAIIAOSA-N 2 2 323.484 4.070 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246237942 1058760357 /nfs/dbraw/zinc/76/03/57/1058760357.db2.gz XVSNEJYNRVDQIP-OLZOCXBDSA-N 2 2 316.823 4.019 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246251941 1058770290 /nfs/dbraw/zinc/77/02/90/1058770290.db2.gz GNZJKVQKEYGWTJ-TUAOUCFPSA-N 2 2 301.261 4.175 20 0 DIADLP C[C@H]([NH2+][C@H]1CC[NH2+]C(C)(C)C1)c1c(Cl)cccc1Cl ZINC001246254373 1058773963 /nfs/dbraw/zinc/77/39/63/1058773963.db2.gz QBTZQZAFTVOMMA-QWRGUYRKSA-N 2 2 301.261 4.175 20 0 DIADLP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC001246254360 1058775152 /nfs/dbraw/zinc/77/51/52/1058775152.db2.gz QAKNOPCQFNVLJZ-RVMXOQNASA-N 2 2 313.272 4.317 20 0 DIADLP CC[C@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246268340 1058784310 /nfs/dbraw/zinc/78/43/10/1058784310.db2.gz PRJRUHCCRFIHGD-RYUDHWBXSA-N 2 2 316.823 4.017 20 0 DIADLP [NH3+][C@@H](C[NH2+]C1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC001246279650 1058794667 /nfs/dbraw/zinc/79/46/67/1058794667.db2.gz OQJVRQFJJPDRJK-MNLRITNHSA-N 2 2 308.469 4.078 20 0 DIADLP CC[C@@H]1CC([NH2+][C@@H](C)c2c(F)cccc2Cl)C[C@@H](CC)[NH2+]1 ZINC001246296825 1058807011 /nfs/dbraw/zinc/80/70/11/1058807011.db2.gz KCGMLCDUYXAARD-YNEHKIRRSA-N 2 2 312.860 4.439 20 0 DIADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246296821 1058808944 /nfs/dbraw/zinc/80/89/44/1058808944.db2.gz KCGMLCDUYXAARD-FQUUOJAGSA-N 2 2 312.860 4.439 20 0 DIADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccn1 ZINC001246327185 1058839813 /nfs/dbraw/zinc/83/98/13/1058839813.db2.gz RCTVKGPQGOOHGK-NRSPTQNISA-N 2 2 323.484 4.252 20 0 DIADLP CCCC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246347462 1058860793 /nfs/dbraw/zinc/86/07/93/1058860793.db2.gz HDPUCBKESOGGII-SOUVJXGZSA-N 2 2 310.432 4.235 20 0 DIADLP COc1ccccc1C(C)(C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246360787 1058869602 /nfs/dbraw/zinc/86/96/02/1058869602.db2.gz IATDAOVMWQIZSW-PKOBYXMFSA-N 2 2 324.468 4.013 20 0 DIADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(F)c1F ZINC001246380855 1058885359 /nfs/dbraw/zinc/88/53/59/1058885359.db2.gz YSUCFBQQWYLCLZ-DDUZABMNSA-N 2 2 316.395 4.109 20 0 DIADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC[NH2+]1 ZINC001246459235 1058943421 /nfs/dbraw/zinc/94/34/21/1058943421.db2.gz RNYBPJFQLUPLKC-BFYDXBDKSA-N 2 2 321.896 4.087 20 0 DIADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC[NH2+]1 ZINC001246459301 1058945948 /nfs/dbraw/zinc/94/59/48/1058945948.db2.gz SCGUUJLKHAGOPK-HLLBOEOZSA-N 2 2 321.896 4.087 20 0 DIADLP CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC001246482160 1058963977 /nfs/dbraw/zinc/96/39/77/1058963977.db2.gz FMGYLXZCJODFSX-DRZSPHRISA-N 2 2 301.261 4.175 20 0 DIADLP C[NH2+]CC[C@@H](C)[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001246527631 1058985308 /nfs/dbraw/zinc/98/53/08/1058985308.db2.gz VFKKKIQSOWDZOF-GFCCVEGCSA-N 2 2 315.288 4.171 20 0 DIADLP C[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246536466 1058987965 /nfs/dbraw/zinc/98/79/65/1058987965.db2.gz FUKRAZPPYTYYQP-CQSZACIVSA-N 2 2 313.272 4.100 20 0 DIADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246536466 1058987984 /nfs/dbraw/zinc/98/79/84/1058987984.db2.gz FUKRAZPPYTYYQP-CQSZACIVSA-N 2 2 313.272 4.100 20 0 DIADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614391 1059034370 /nfs/dbraw/zinc/03/43/70/1059034370.db2.gz NZDWKTZAKZNNAF-PKOBYXMFSA-N 2 2 318.530 4.084 20 0 DIADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001246614391 1059034391 /nfs/dbraw/zinc/03/43/91/1059034391.db2.gz NZDWKTZAKZNNAF-PKOBYXMFSA-N 2 2 318.530 4.084 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246621895 1059034437 /nfs/dbraw/zinc/03/44/37/1059034437.db2.gz QDJKWZJEDJNITB-PBHICJAKSA-N 2 2 324.921 4.039 20 0 DIADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246621895 1059034459 /nfs/dbraw/zinc/03/44/59/1059034459.db2.gz QDJKWZJEDJNITB-PBHICJAKSA-N 2 2 324.921 4.039 20 0 DIADLP FC(F)(F)CC[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278458340 1059035717 /nfs/dbraw/zinc/03/57/17/1059035717.db2.gz GARXKJCBZUBUEF-INIZCTEOSA-N 2 2 318.427 4.059 20 0 DIADLP FC(F)(F)CC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001278458340 1059035739 /nfs/dbraw/zinc/03/57/39/1059035739.db2.gz GARXKJCBZUBUEF-INIZCTEOSA-N 2 2 318.427 4.059 20 0 DIADLP FC(F)(F)CC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001278458340 1059035764 /nfs/dbraw/zinc/03/57/64/1059035764.db2.gz GARXKJCBZUBUEF-INIZCTEOSA-N 2 2 318.427 4.059 20 0 DIADLP FC(F)(F)CC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001278458340 1059035782 /nfs/dbraw/zinc/03/57/82/1059035782.db2.gz GARXKJCBZUBUEF-INIZCTEOSA-N 2 2 318.427 4.059 20 0 DIADLP C[N@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246770233 1059075176 /nfs/dbraw/zinc/07/51/76/1059075176.db2.gz NSRZWUPLBSOLGK-HKUYNNGSSA-N 2 2 314.860 4.265 20 0 DIADLP C[N@@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246770233 1059075194 /nfs/dbraw/zinc/07/51/94/1059075194.db2.gz NSRZWUPLBSOLGK-HKUYNNGSSA-N 2 2 314.860 4.265 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793671 1059097605 /nfs/dbraw/zinc/09/76/05/1059097605.db2.gz WHJFBFOEQDZRAO-GJYPPUQNSA-N 2 2 322.443 4.413 20 0 DIADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246793671 1059097629 /nfs/dbraw/zinc/09/76/29/1059097629.db2.gz WHJFBFOEQDZRAO-GJYPPUQNSA-N 2 2 322.443 4.413 20 0 DIADLP C[C@@H]1CC([N@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[C@@H](C)C1 ZINC001246835751 1059114776 /nfs/dbraw/zinc/11/47/76/1059114776.db2.gz UPSCALFNDRZECR-XAMWDVODSA-N 2 2 318.480 4.013 20 0 DIADLP C[C@@H]1CC([N@@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[C@@H](C)C1 ZINC001246835751 1059114786 /nfs/dbraw/zinc/11/47/86/1059114786.db2.gz UPSCALFNDRZECR-XAMWDVODSA-N 2 2 318.480 4.013 20 0 DIADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836276 1059115693 /nfs/dbraw/zinc/11/56/93/1059115693.db2.gz OCNSIMFLALGRFK-ZWKOTPCHSA-N 2 2 306.881 4.009 20 0 DIADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246836276 1059115701 /nfs/dbraw/zinc/11/57/01/1059115701.db2.gz OCNSIMFLALGRFK-ZWKOTPCHSA-N 2 2 306.881 4.009 20 0 DIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838955 1059117454 /nfs/dbraw/zinc/11/74/54/1059117454.db2.gz KTXBIMFSAXFHTI-NEPJUHHUSA-N 2 2 308.878 4.127 20 0 DIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)CC[NH2+]1 ZINC001246838955 1059117464 /nfs/dbraw/zinc/11/74/64/1059117464.db2.gz KTXBIMFSAXFHTI-NEPJUHHUSA-N 2 2 308.878 4.127 20 0 DIADLP CC[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246842956 1059125436 /nfs/dbraw/zinc/12/54/36/1059125436.db2.gz AOUAXCBYLYGFIT-ICSRJNTNSA-N 2 2 312.432 4.141 20 0 DIADLP CC[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246842956 1059125448 /nfs/dbraw/zinc/12/54/48/1059125448.db2.gz AOUAXCBYLYGFIT-ICSRJNTNSA-N 2 2 312.432 4.141 20 0 DIADLP Clc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246869683 1059143434 /nfs/dbraw/zinc/14/34/34/1059143434.db2.gz HJPVHXBGKWYZSE-MRXNPFEDSA-N 2 2 318.892 4.153 20 0 DIADLP Clc1cccc2c1C[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246869683 1059143443 /nfs/dbraw/zinc/14/34/43/1059143443.db2.gz HJPVHXBGKWYZSE-MRXNPFEDSA-N 2 2 318.892 4.153 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246903816 1059162832 /nfs/dbraw/zinc/16/28/32/1059162832.db2.gz BXMBTVWWCQVYMZ-BBRMVZONSA-N 2 2 324.921 4.037 20 0 DIADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246903816 1059162837 /nfs/dbraw/zinc/16/28/37/1059162837.db2.gz BXMBTVWWCQVYMZ-BBRMVZONSA-N 2 2 324.921 4.037 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901897 1059164754 /nfs/dbraw/zinc/16/47/54/1059164754.db2.gz PMWVXVLPLAMKNS-JQFCIGGWSA-N 2 2 322.443 4.268 20 0 DIADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246901897 1059164762 /nfs/dbraw/zinc/16/47/62/1059164762.db2.gz PMWVXVLPLAMKNS-JQFCIGGWSA-N 2 2 322.443 4.268 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@H+](C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246905749 1059169068 /nfs/dbraw/zinc/16/90/68/1059169068.db2.gz BFFDWJAMXHZUMG-JKIFEVAISA-N 2 2 308.897 4.500 20 0 DIADLP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246905749 1059169070 /nfs/dbraw/zinc/16/90/70/1059169070.db2.gz BFFDWJAMXHZUMG-JKIFEVAISA-N 2 2 308.897 4.500 20 0 DIADLP CC[N@H+](Cc1ccc(Cl)cc1Cl)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246909653 1059170352 /nfs/dbraw/zinc/17/03/52/1059170352.db2.gz GLGKQYNQPDHIMN-VXGBXAGGSA-N 2 2 315.288 4.344 20 0 DIADLP CC[N@@H+](Cc1ccc(Cl)cc1Cl)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246909653 1059170363 /nfs/dbraw/zinc/17/03/63/1059170363.db2.gz GLGKQYNQPDHIMN-VXGBXAGGSA-N 2 2 315.288 4.344 20 0 DIADLP c1ccc(C[C@H]2C[C@@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246919723 1059175956 /nfs/dbraw/zinc/17/59/56/1059175956.db2.gz KAXVHUJDJSWZTK-ANULTFPQSA-N 2 2 312.501 4.004 20 0 DIADLP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCC[C@H]4CCCC[C@@H]43)CC[NH2+]2)cc1 ZINC001246919723 1059175967 /nfs/dbraw/zinc/17/59/67/1059175967.db2.gz KAXVHUJDJSWZTK-ANULTFPQSA-N 2 2 312.501 4.004 20 0 DIADLP CCCCC[C@H](CCC)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246945272 1059190393 /nfs/dbraw/zinc/19/03/93/1059190393.db2.gz FWHLFAIIGVGBSF-VQTJNVASSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@H](CCC)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246945272 1059190404 /nfs/dbraw/zinc/19/04/04/1059190404.db2.gz FWHLFAIIGVGBSF-VQTJNVASSA-N 2 2 317.521 4.385 20 0 DIADLP CCC[C@H](C)CC[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952676 1059199408 /nfs/dbraw/zinc/19/94/08/1059199408.db2.gz LTOSTOYBXGDRCG-BJLQDIEVSA-N 2 2 317.521 4.241 20 0 DIADLP CCC[C@H](C)CC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952676 1059199417 /nfs/dbraw/zinc/19/94/17/1059199417.db2.gz LTOSTOYBXGDRCG-BJLQDIEVSA-N 2 2 317.521 4.241 20 0 DIADLP CCCCC[C@H](CCC)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954349 1059200847 /nfs/dbraw/zinc/20/08/47/1059200847.db2.gz YJVHLNFVXOIKKJ-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCCC[C@H](CCC)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954349 1059200869 /nfs/dbraw/zinc/20/08/69/1059200869.db2.gz YJVHLNFVXOIKKJ-PMACEKPBSA-N 2 2 317.521 4.385 20 0 DIADLP CCCC[C@@H](CC)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246961636 1059207842 /nfs/dbraw/zinc/20/78/42/1059207842.db2.gz HCMLKODHTRHXHH-OAHLLOKOSA-N 2 2 324.459 4.488 20 0 DIADLP CCCC[C@@H](CC)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246961636 1059207847 /nfs/dbraw/zinc/20/78/47/1059207847.db2.gz HCMLKODHTRHXHH-OAHLLOKOSA-N 2 2 324.459 4.488 20 0 DIADLP C[C@H]1CCC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966236 1059209837 /nfs/dbraw/zinc/20/98/37/1059209837.db2.gz VMOFIADGXXFICT-GOEBONIOSA-N 2 2 322.443 4.098 20 0 DIADLP C[C@H]1CCC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)C1 ZINC001246966236 1059209858 /nfs/dbraw/zinc/20/98/58/1059209858.db2.gz VMOFIADGXXFICT-GOEBONIOSA-N 2 2 322.443 4.098 20 0 DIADLP [NH3+]CCCCc1[nH+]c2ccc(F)c(F)c2n1C1CCCCC1 ZINC001247042330 1059263265 /nfs/dbraw/zinc/26/32/65/1059263265.db2.gz VWAZTMIMUDKYCU-UHFFFAOYSA-N 2 2 307.388 4.101 20 0 DIADLP Clc1ccc([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC001559837075 1059667409 /nfs/dbraw/zinc/66/74/09/1059667409.db2.gz MEIWJDPCXIJBKV-KRWDZBQOSA-N 2 2 303.837 4.154 20 0 DIADLP Clc1ccc([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC001559837075 1059667416 /nfs/dbraw/zinc/66/74/16/1059667416.db2.gz MEIWJDPCXIJBKV-KRWDZBQOSA-N 2 2 303.837 4.154 20 0 DIADLP CC(C)(C)SCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560098341 1059906660 /nfs/dbraw/zinc/90/66/60/1059906660.db2.gz FRDQTAFWIDLRQY-KRWDZBQOSA-N 2 2 317.502 4.136 20 0 DIADLP CC[C@]1(CCc2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC001560107671 1059916515 /nfs/dbraw/zinc/91/65/15/1059916515.db2.gz YRGLSLVXLLGMAX-HXUWFJFHSA-N 2 2 311.473 4.151 20 0 DIADLP CC[C@]1(CCc2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC001560107671 1059916532 /nfs/dbraw/zinc/91/65/32/1059916532.db2.gz YRGLSLVXLLGMAX-HXUWFJFHSA-N 2 2 311.473 4.151 20 0 DIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC001560129067 1059931872 /nfs/dbraw/zinc/93/18/72/1059931872.db2.gz NAWVYXSJCBZVRS-MRXNPFEDSA-N 2 2 323.415 4.479 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](SC)C1)c1ccccc1 ZINC001560249007 1060014435 /nfs/dbraw/zinc/01/44/35/1060014435.db2.gz ONHBNLQJHQMRHT-GBESFXJTSA-N 2 2 320.546 4.333 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]CCCn2cc[nH+]c2)c(C)c1 ZINC001560249668 1060014627 /nfs/dbraw/zinc/01/46/27/1060014627.db2.gz ZJBNAZUZGKWJME-UHFFFAOYSA-N 2 2 319.452 4.347 20 0 DIADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](SC)C1)c1ccccc1 ZINC001560249006 1060015987 /nfs/dbraw/zinc/01/59/87/1060015987.db2.gz ONHBNLQJHQMRHT-CEXWTWQISA-N 2 2 320.546 4.333 20 0 DIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C)CC1)Cc1ccccc1 ZINC001560261340 1060030461 /nfs/dbraw/zinc/03/04/61/1060030461.db2.gz FBMUDTQNVOOGBM-LYBXBRPPSA-N 2 2 302.506 4.108 20 0 DIADLP CSc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001560368138 1060155342 /nfs/dbraw/zinc/15/53/42/1060155342.db2.gz GMQQVNLUDSLGTI-OAHLLOKOSA-N 2 2 318.486 4.002 20 0 DIADLP CSc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001560368138 1060155355 /nfs/dbraw/zinc/15/53/55/1060155355.db2.gz GMQQVNLUDSLGTI-OAHLLOKOSA-N 2 2 318.486 4.002 20 0 DIADLP CCSc1cccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC001560481863 1060271392 /nfs/dbraw/zinc/27/13/92/1060271392.db2.gz YAQHKCVQWDFJBH-SFHVURJKSA-N 2 2 320.546 4.399 20 0 DIADLP CC1(C)CCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC001560506654 1060304885 /nfs/dbraw/zinc/30/48/85/1060304885.db2.gz LPPMXQBSPIIGGU-AWEZNQCLSA-N 2 2 303.475 4.240 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC001560541632 1060350126 /nfs/dbraw/zinc/35/01/26/1060350126.db2.gz CDVOFXQOAVCUNK-ZRNYENFQSA-N 2 2 312.501 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001560541632 1060350144 /nfs/dbraw/zinc/35/01/44/1060350144.db2.gz CDVOFXQOAVCUNK-ZRNYENFQSA-N 2 2 312.501 4.065 20 0 DIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668603 1060495684 /nfs/dbraw/zinc/49/56/84/1060495684.db2.gz PRPKNGKAWQXPIY-AWEZNQCLSA-N 2 2 314.395 4.070 20 0 DIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668603 1060495649 /nfs/dbraw/zinc/49/56/49/1060495649.db2.gz PRPKNGKAWQXPIY-AWEZNQCLSA-N 2 2 314.395 4.070 20 0 DIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668603 1060495657 /nfs/dbraw/zinc/49/56/57/1060495657.db2.gz PRPKNGKAWQXPIY-AWEZNQCLSA-N 2 2 314.395 4.070 20 0 DIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)F)c(F)c1 ZINC001560668603 1060495673 /nfs/dbraw/zinc/49/56/73/1060495673.db2.gz PRPKNGKAWQXPIY-AWEZNQCLSA-N 2 2 314.395 4.070 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CCC1 ZINC001560764099 1060629771 /nfs/dbraw/zinc/62/97/71/1060629771.db2.gz RMKQLQPFLFDWKT-SJLPKXTDSA-N 2 2 320.908 4.125 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560789824 1060649950 /nfs/dbraw/zinc/64/99/50/1060649950.db2.gz JOHBIRZMQOMMQT-HXUWFJFHSA-N 2 2 316.533 4.500 20 0 DIADLP CCC[C@H](CCc1ccccc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560789824 1060649955 /nfs/dbraw/zinc/64/99/55/1060649955.db2.gz JOHBIRZMQOMMQT-HXUWFJFHSA-N 2 2 316.533 4.500 20 0 DIADLP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001560852870 1060711331 /nfs/dbraw/zinc/71/13/31/1060711331.db2.gz UMOLNYKVKXRVRD-RHSMWYFYSA-N 2 2 317.864 4.440 20 0 DIADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001560930028 1060791852 /nfs/dbraw/zinc/79/18/52/1060791852.db2.gz PWTPKSTVRZBDBB-SESVDKBCSA-N 2 2 314.517 4.108 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001560985627 1060850213 /nfs/dbraw/zinc/85/02/13/1060850213.db2.gz GSZFLWOPUAFHLI-YLJYHZDGSA-N 2 2 315.505 4.065 20 0 DIADLP CC(C)C[C@@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001560985627 1060850216 /nfs/dbraw/zinc/85/02/16/1060850216.db2.gz GSZFLWOPUAFHLI-YLJYHZDGSA-N 2 2 315.505 4.065 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001561031864 1060883783 /nfs/dbraw/zinc/88/37/83/1060883783.db2.gz GTURWLOBUBAOIQ-VOQZNFBZSA-N 2 2 320.480 4.043 20 0 DIADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001561031864 1060883789 /nfs/dbraw/zinc/88/37/89/1060883789.db2.gz GTURWLOBUBAOIQ-VOQZNFBZSA-N 2 2 320.480 4.043 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001561039373 1060891368 /nfs/dbraw/zinc/89/13/68/1060891368.db2.gz QDMTZZPIRYLJIW-RKVPGOIHSA-N 2 2 310.913 4.398 20 0 DIADLP CSCCCCC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001462129208 1060949206 /nfs/dbraw/zinc/94/92/06/1060949206.db2.gz SBQUMBUCYWPUBG-PKOBYXMFSA-N 2 2 320.546 4.162 20 0 DIADLP CSCCCCC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001462129208 1060949228 /nfs/dbraw/zinc/94/92/28/1060949228.db2.gz SBQUMBUCYWPUBG-PKOBYXMFSA-N 2 2 320.546 4.162 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001462158164 1060978040 /nfs/dbraw/zinc/97/80/40/1060978040.db2.gz PPNJKFTWVVWXIA-PMACEKPBSA-N 2 2 314.517 4.343 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001462158164 1060978061 /nfs/dbraw/zinc/97/80/61/1060978061.db2.gz PPNJKFTWVVWXIA-PMACEKPBSA-N 2 2 314.517 4.343 20 0 DIADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1csc(C(F)(F)F)c1 ZINC001462202145 1061022961 /nfs/dbraw/zinc/02/29/61/1061022961.db2.gz XPKBXGLTUBYSAV-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1csc(C(F)(F)F)c1 ZINC001462202145 1061022975 /nfs/dbraw/zinc/02/29/75/1061022975.db2.gz XPKBXGLTUBYSAV-UHFFFAOYSA-N 2 2 320.424 4.075 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccsc2Cl)[nH+]1 ZINC001473264255 1061041266 /nfs/dbraw/zinc/04/12/66/1061041266.db2.gz MFIHAKQWOKBXQN-AWEZNQCLSA-N 2 2 321.877 4.181 20 0 DIADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccsc2Cl)[nH+]1 ZINC001473264255 1061041279 /nfs/dbraw/zinc/04/12/79/1061041279.db2.gz MFIHAKQWOKBXQN-AWEZNQCLSA-N 2 2 321.877 4.181 20 0 DIADLP Fc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001278596282 1061057454 /nfs/dbraw/zinc/05/74/54/1061057454.db2.gz KNQICCSHMLTYOL-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001278596282 1061057471 /nfs/dbraw/zinc/05/74/71/1061057471.db2.gz KNQICCSHMLTYOL-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001278596282 1061057485 /nfs/dbraw/zinc/05/74/85/1061057485.db2.gz KNQICCSHMLTYOL-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001278596282 1061057504 /nfs/dbraw/zinc/05/75/04/1061057504.db2.gz KNQICCSHMLTYOL-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001473351916 1061108134 /nfs/dbraw/zinc/10/81/34/1061108134.db2.gz XEHYPEQOPCKGNA-MRXNPFEDSA-N 2 2 321.468 4.208 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC001462388688 1061144195 /nfs/dbraw/zinc/14/41/95/1061144195.db2.gz WNXDCWPDNIMXFD-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP C1CCC2(CC1)CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC001462388688 1061144206 /nfs/dbraw/zinc/14/42/06/1061144206.db2.gz WNXDCWPDNIMXFD-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC001462475909 1061195772 /nfs/dbraw/zinc/19/57/72/1061195772.db2.gz BGXXHUPRBWIKKY-FXAWDEMLSA-N 2 2 310.441 4.046 20 0 DIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC001462475909 1061195780 /nfs/dbraw/zinc/19/57/80/1061195780.db2.gz BGXXHUPRBWIKKY-FXAWDEMLSA-N 2 2 310.441 4.046 20 0 DIADLP C[C@@H]1CCC[C@H](CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001473746274 1061385782 /nfs/dbraw/zinc/38/57/82/1061385782.db2.gz FOFLMNLUUOTLGO-QWFCFKBJSA-N 2 2 311.473 4.430 20 0 DIADLP CC(C)c1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC001473958477 1061498891 /nfs/dbraw/zinc/49/88/91/1061498891.db2.gz BYHCUSWWIPNEOW-UHFFFAOYSA-N 2 2 305.425 4.286 20 0 DIADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001473984421 1061526999 /nfs/dbraw/zinc/52/69/99/1061526999.db2.gz GFDGQCZBDXNAEB-HNNXBMFYSA-N 2 2 311.454 4.401 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC001473990117 1061534223 /nfs/dbraw/zinc/53/42/23/1061534223.db2.gz NHNIOGCEBDMKCF-QGZVFWFLSA-N 2 2 308.469 4.234 20 0 DIADLP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC001473990117 1061534240 /nfs/dbraw/zinc/53/42/40/1061534240.db2.gz NHNIOGCEBDMKCF-QGZVFWFLSA-N 2 2 308.469 4.234 20 0 DIADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC(C)(C)CC2)Cc2ccccc2C1 ZINC001474020078 1061558455 /nfs/dbraw/zinc/55/84/55/1061558455.db2.gz NAQXZKNDRLHXET-LJQANCHMSA-N 2 2 314.517 4.034 20 0 DIADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001474031308 1061574225 /nfs/dbraw/zinc/57/42/25/1061574225.db2.gz XRMIYXVJVGQAAS-XEYPJELSSA-N 2 2 300.490 4.033 20 0 DIADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001474031308 1061574247 /nfs/dbraw/zinc/57/42/47/1061574247.db2.gz XRMIYXVJVGQAAS-XEYPJELSSA-N 2 2 300.490 4.033 20 0 DIADLP C[NH+](C)CC1(C[NH2+]Cc2cc(Cl)ccc2Cl)CCCC1 ZINC001474107248 1061656840 /nfs/dbraw/zinc/65/68/40/1061656840.db2.gz YNVZGCQTDXLEDH-UHFFFAOYSA-N 2 2 315.288 4.205 20 0 DIADLP c1cn(-c2ccc(C[NH2+]CCC3(c4ccccc4)CC3)cc2)c[nH+]1 ZINC001474272324 1061837841 /nfs/dbraw/zinc/83/78/41/1061837841.db2.gz ZBKQOOBOIOXFBY-UHFFFAOYSA-N 2 2 317.436 4.084 20 0 DIADLP CCc1ccccc1C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278769416 1062062273 /nfs/dbraw/zinc/06/22/73/1062062273.db2.gz SLBLIWLEQGHOAD-UHFFFAOYSA-N 2 2 312.501 4.089 20 0 DIADLP CCc1ccccc1C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001278769416 1062062297 /nfs/dbraw/zinc/06/22/97/1062062297.db2.gz SLBLIWLEQGHOAD-UHFFFAOYSA-N 2 2 312.501 4.089 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2CCc3ccccc3CC2)c1 ZINC001254455971 1062116106 /nfs/dbraw/zinc/11/61/06/1062116106.db2.gz QTMIVKOPLMVLPC-UHFFFAOYSA-N 2 2 317.436 4.129 20 0 DIADLP CSCCCCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474462451 1062139631 /nfs/dbraw/zinc/13/96/31/1062139631.db2.gz CJVLEGIVXFBNHA-MJGOQNOKSA-N 2 2 320.546 4.020 20 0 DIADLP CSCCCCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474462451 1062139651 /nfs/dbraw/zinc/13/96/51/1062139651.db2.gz CJVLEGIVXFBNHA-MJGOQNOKSA-N 2 2 320.546 4.020 20 0 DIADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001474472602 1062152417 /nfs/dbraw/zinc/15/24/17/1062152417.db2.gz AAMLIGYXPGOFSC-AYHJJNSGSA-N 2 2 322.562 4.049 20 0 DIADLP C[C@@H](C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496329 1062176483 /nfs/dbraw/zinc/17/64/83/1062176483.db2.gz GAYHMNRYPFUSDX-WMLDXEAASA-N 2 2 308.897 4.154 20 0 DIADLP C[C@@H](C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)c1cccc(Cl)c1 ZINC001474496329 1062176488 /nfs/dbraw/zinc/17/64/88/1062176488.db2.gz GAYHMNRYPFUSDX-WMLDXEAASA-N 2 2 308.897 4.154 20 0 DIADLP CC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCCC1 ZINC001474546588 1062242382 /nfs/dbraw/zinc/24/23/82/1062242382.db2.gz MFKHFKKEWGQIPP-UHFFFAOYSA-N 2 2 303.837 4.196 20 0 DIADLP CCc1ccc([C@H](C[NH2+][C@H](C)C2CCC2)[NH+](CC)CC)cc1 ZINC001474552331 1062251942 /nfs/dbraw/zinc/25/19/42/1062251942.db2.gz GMDIFZFGRPJIDM-UZLBHIALSA-N 2 2 302.506 4.410 20 0 DIADLP CC[N@H+](CCCC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC001459658593 1062280322 /nfs/dbraw/zinc/28/03/22/1062280322.db2.gz ODGHABSRAPGXEI-UHFFFAOYSA-N 2 2 317.521 4.446 20 0 DIADLP CC[N@@H+](CCCC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC001459658593 1062280343 /nfs/dbraw/zinc/28/03/43/1062280343.db2.gz ODGHABSRAPGXEI-UHFFFAOYSA-N 2 2 317.521 4.446 20 0 DIADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC001474581571 1062290422 /nfs/dbraw/zinc/29/04/22/1062290422.db2.gz NYBHITMDUDARKT-AWEZNQCLSA-N 2 2 310.432 4.126 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001474630646 1062352702 /nfs/dbraw/zinc/35/27/02/1062352702.db2.gz PIWAPEXWAVZXAB-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP C([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001474630646 1062352718 /nfs/dbraw/zinc/35/27/18/1062352718.db2.gz PIWAPEXWAVZXAB-MOPGFXCFSA-N 2 2 304.522 4.486 20 0 DIADLP CCCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255334448 1062408834 /nfs/dbraw/zinc/40/88/34/1062408834.db2.gz RDFOHIIJVMKUIA-MRXNPFEDSA-N 2 2 306.469 4.301 20 0 DIADLP CCCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255334448 1062408873 /nfs/dbraw/zinc/40/88/73/1062408873.db2.gz RDFOHIIJVMKUIA-MRXNPFEDSA-N 2 2 306.469 4.301 20 0 DIADLP Cc1cc(C)c(/C=C/C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)c1 ZINC001474682629 1062413423 /nfs/dbraw/zinc/41/34/23/1062413423.db2.gz NOPMAHAQQCHYIJ-FNORWQNLSA-N 2 2 312.501 4.185 20 0 DIADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC001474741095 1062458203 /nfs/dbraw/zinc/45/82/03/1062458203.db2.gz RSKRZYJNDSIUII-KGLIPLIRSA-N 2 2 316.942 4.289 20 0 DIADLP CC(C)(C)C1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001255505298 1062464535 /nfs/dbraw/zinc/46/45/35/1062464535.db2.gz HJLNTSSOLREGFU-UHFFFAOYSA-N 2 2 315.505 4.245 20 0 DIADLP CC[N@H+](Cc1c(F)cccc1Cl)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685030 1062514113 /nfs/dbraw/zinc/51/41/13/1062514113.db2.gz XPVCFQXVGVOZHR-YIONKMFJSA-N 2 2 324.871 4.316 20 0 DIADLP CC[N@@H+](Cc1c(F)cccc1Cl)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685030 1062514131 /nfs/dbraw/zinc/51/41/31/1062514131.db2.gz XPVCFQXVGVOZHR-YIONKMFJSA-N 2 2 324.871 4.316 20 0 DIADLP CC[NH+](Cc1c(F)cccc1Cl)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255685030 1062514148 /nfs/dbraw/zinc/51/41/48/1062514148.db2.gz XPVCFQXVGVOZHR-YIONKMFJSA-N 2 2 324.871 4.316 20 0 DIADLP CC[NH+](Cc1c(F)cccc1Cl)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255685030 1062514169 /nfs/dbraw/zinc/51/41/69/1062514169.db2.gz XPVCFQXVGVOZHR-YIONKMFJSA-N 2 2 324.871 4.316 20 0 DIADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001255698616 1062522298 /nfs/dbraw/zinc/52/22/98/1062522298.db2.gz BVWWAVYLDCISFI-LSDHHAIUSA-N 2 2 323.362 4.302 20 0 DIADLP Cc1ccc(SC[C@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC001255771661 1062591365 /nfs/dbraw/zinc/59/13/65/1062591365.db2.gz URDOQYWFIDQCNN-JKSUJKDBSA-N 2 2 315.486 4.012 20 0 DIADLP Cc1ccc(C[C@H](C)n2c[nH+]cc2-c2cccc(C[NH3+])c2)cc1 ZINC001255782990 1062605071 /nfs/dbraw/zinc/60/50/71/1062605071.db2.gz LMBZLSUTZRBKTG-INIZCTEOSA-N 2 2 305.425 4.121 20 0 DIADLP C[C@H](Cc1ccccc1F)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255858092 1062636012 /nfs/dbraw/zinc/63/60/12/1062636012.db2.gz VPUGSULDZQHEPH-MRXNPFEDSA-N 2 2 323.415 4.074 20 0 DIADLP C[C@H](Cc1ccccc1F)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001255858092 1062636024 /nfs/dbraw/zinc/63/60/24/1062636024.db2.gz VPUGSULDZQHEPH-MRXNPFEDSA-N 2 2 323.415 4.074 20 0 DIADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC001255941868 1062665401 /nfs/dbraw/zinc/66/54/01/1062665401.db2.gz YIMDIYSLBXAEIL-CHWSQXEVSA-N 2 2 300.849 4.250 20 0 DIADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1Cl ZINC001255955409 1062669519 /nfs/dbraw/zinc/66/95/19/1062669519.db2.gz SIPXREQQSXXJCH-QWHCGFSZSA-N 2 2 300.849 4.250 20 0 DIADLP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256082909 1062699401 /nfs/dbraw/zinc/69/94/01/1062699401.db2.gz NGNDCYBBYIFEIQ-UHFFFAOYSA-N 2 2 313.272 4.052 20 0 DIADLP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256082909 1062699405 /nfs/dbraw/zinc/69/94/05/1062699405.db2.gz NGNDCYBBYIFEIQ-UHFFFAOYSA-N 2 2 313.272 4.052 20 0 DIADLP c1ccc([C@H]2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)C2)cc1 ZINC001256109760 1062709837 /nfs/dbraw/zinc/70/98/37/1062709837.db2.gz PWJNUIQNCKZSRN-HBMCJLEFSA-N 2 2 312.501 4.177 20 0 DIADLP c1ccc([C@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)C2)cc1 ZINC001256109760 1062709850 /nfs/dbraw/zinc/70/98/50/1062709850.db2.gz PWJNUIQNCKZSRN-HBMCJLEFSA-N 2 2 312.501 4.177 20 0 DIADLP C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256204581 1062745025 /nfs/dbraw/zinc/74/50/25/1062745025.db2.gz TVJPINGMKOJQLK-SFHVURJKSA-N 2 2 308.469 4.344 20 0 DIADLP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256204581 1062745043 /nfs/dbraw/zinc/74/50/43/1062745043.db2.gz TVJPINGMKOJQLK-SFHVURJKSA-N 2 2 308.469 4.344 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C1CC[NH+](C)CC1 ZINC001256209928 1062749498 /nfs/dbraw/zinc/74/94/98/1062749498.db2.gz XJDQFEURBPFXFJ-FQEVSTJZSA-N 2 2 302.506 4.204 20 0 DIADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C1CC[NH+](C)CC1 ZINC001256209928 1062749516 /nfs/dbraw/zinc/74/95/16/1062749516.db2.gz XJDQFEURBPFXFJ-FQEVSTJZSA-N 2 2 302.506 4.204 20 0 DIADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCC(C)C)CC1 ZINC001256353101 1062782759 /nfs/dbraw/zinc/78/27/59/1062782759.db2.gz OPBVZPWVRFSIRF-QGZVFWFLSA-N 2 2 318.505 4.074 20 0 DIADLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)CCC(C)C)CC2)c1 ZINC001256359059 1062784236 /nfs/dbraw/zinc/78/42/36/1062784236.db2.gz KUNJWORXYHEUBO-QGZVFWFLSA-N 2 2 318.505 4.074 20 0 DIADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)CCC(C)C)CC2)c1 ZINC001256359058 1062786164 /nfs/dbraw/zinc/78/61/64/1062786164.db2.gz KUNJWORXYHEUBO-KRWDZBQOSA-N 2 2 318.505 4.074 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256527438 1062845199 /nfs/dbraw/zinc/84/51/99/1062845199.db2.gz RVZZCZURUHSNRH-BJLQDIEVSA-N 2 2 323.484 4.094 20 0 DIADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256527438 1062845222 /nfs/dbraw/zinc/84/52/22/1062845222.db2.gz RVZZCZURUHSNRH-BJLQDIEVSA-N 2 2 323.484 4.094 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555423 1062875291 /nfs/dbraw/zinc/87/52/91/1062875291.db2.gz UXDGKVKHBMNBIG-KKSFZXQISA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@@H]([NH+]2Cc3ccc(F)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256555423 1062875317 /nfs/dbraw/zinc/87/53/17/1062875317.db2.gz UXDGKVKHBMNBIG-KKSFZXQISA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555423 1062875341 /nfs/dbraw/zinc/87/53/41/1062875341.db2.gz UXDGKVKHBMNBIG-KKSFZXQISA-N 2 2 324.443 4.194 20 0 DIADLP C[C@H]1C[C@@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH+]1Cc1ccccc1 ZINC001256555423 1062875362 /nfs/dbraw/zinc/87/53/62/1062875362.db2.gz UXDGKVKHBMNBIG-KKSFZXQISA-N 2 2 324.443 4.194 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001460579880 1062919969 /nfs/dbraw/zinc/91/99/69/1062919969.db2.gz QCAPIXDKKTVYOU-MRXNPFEDSA-N 2 2 304.453 4.227 20 0 DIADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001460579966 1062920996 /nfs/dbraw/zinc/92/09/96/1062920996.db2.gz QMRPGJOGICHIII-UHFFFAOYSA-N 2 2 312.457 4.273 20 0 DIADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001461003833 1063181584 /nfs/dbraw/zinc/18/15/84/1063181584.db2.gz VAQBMSRJXJJIDX-CEWLAPEOSA-N 2 2 312.501 4.406 20 0 DIADLP CCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001257318642 1063201112 /nfs/dbraw/zinc/20/11/12/1063201112.db2.gz GEKJTKIFRJLLEX-OAHLLOKOSA-N 2 2 321.534 4.071 20 0 DIADLP CCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001257318642 1063201132 /nfs/dbraw/zinc/20/11/32/1063201132.db2.gz GEKJTKIFRJLLEX-OAHLLOKOSA-N 2 2 321.534 4.071 20 0 DIADLP CCC[C@@H](C)[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001257324829 1063205925 /nfs/dbraw/zinc/20/59/25/1063205925.db2.gz VBCJJFAMRIBDRV-HKUYMTLNSA-N 2 2 302.506 4.070 20 0 DIADLP CCC[C@@H](C)[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001257324829 1063205942 /nfs/dbraw/zinc/20/59/42/1063205942.db2.gz VBCJJFAMRIBDRV-HKUYMTLNSA-N 2 2 302.506 4.070 20 0 DIADLP CCC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001257324829 1063205958 /nfs/dbraw/zinc/20/59/58/1063205958.db2.gz VBCJJFAMRIBDRV-HKUYMTLNSA-N 2 2 302.506 4.070 20 0 DIADLP CCC[C@@H](C)[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001257324829 1063205977 /nfs/dbraw/zinc/20/59/77/1063205977.db2.gz VBCJJFAMRIBDRV-HKUYMTLNSA-N 2 2 302.506 4.070 20 0 DIADLP CCCC(CCC)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337151 1063216656 /nfs/dbraw/zinc/21/66/56/1063216656.db2.gz RYHNAZBNQFEPNW-DOTOQJQBSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257337151 1063216672 /nfs/dbraw/zinc/21/66/72/1063216672.db2.gz RYHNAZBNQFEPNW-DOTOQJQBSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257337151 1063216689 /nfs/dbraw/zinc/21/66/89/1063216689.db2.gz RYHNAZBNQFEPNW-DOTOQJQBSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC(CCC)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257337151 1063216708 /nfs/dbraw/zinc/21/67/08/1063216708.db2.gz RYHNAZBNQFEPNW-DOTOQJQBSA-N 2 2 321.534 4.008 20 0 DIADLP CCCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257410605 1063258741 /nfs/dbraw/zinc/25/87/41/1063258741.db2.gz VHOHHXACJKMIMW-GOSISDBHSA-N 2 2 318.505 4.218 20 0 DIADLP CCCC[C@@H](CC)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257413163 1063262965 /nfs/dbraw/zinc/26/29/65/1063262965.db2.gz AYYPLLFGBVGUMQ-CABCVRRESA-N 2 2 313.283 4.007 20 0 DIADLP CCCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257413577 1063263096 /nfs/dbraw/zinc/26/30/96/1063263096.db2.gz DPKSOWLHVISCLP-GOSISDBHSA-N 2 2 318.505 4.218 20 0 DIADLP CCCC[C@H](CC)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257413164 1063263258 /nfs/dbraw/zinc/26/32/58/1063263258.db2.gz AYYPLLFGBVGUMQ-GJZGRUSLSA-N 2 2 313.283 4.007 20 0 DIADLP CC[C@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001257430221 1063274336 /nfs/dbraw/zinc/27/43/36/1063274336.db2.gz JIDJKDOMVPTANV-KRWDZBQOSA-N 2 2 308.469 4.096 20 0 DIADLP CCC[C@H](C)CC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001257465323 1063287499 /nfs/dbraw/zinc/28/74/99/1063287499.db2.gz ZOMQKMPGISOISG-ROUUACIJSA-N 2 2 302.506 4.313 20 0 DIADLP CCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257500157 1063310979 /nfs/dbraw/zinc/31/09/79/1063310979.db2.gz LCMLYLRIKPTLGR-KRWDZBQOSA-N 2 2 318.505 4.218 20 0 DIADLP CCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257504083 1063316337 /nfs/dbraw/zinc/31/63/37/1063316337.db2.gz INUTVGQSCMUEKD-QGZVFWFLSA-N 2 2 318.505 4.218 20 0 DIADLP CCCCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257509534 1063319959 /nfs/dbraw/zinc/31/99/59/1063319959.db2.gz HFVJYJOVJRPXCS-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257509534 1063319983 /nfs/dbraw/zinc/31/99/83/1063319983.db2.gz HFVJYJOVJRPXCS-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257509534 1063320001 /nfs/dbraw/zinc/32/00/01/1063320001.db2.gz HFVJYJOVJRPXCS-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP CCCCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257509534 1063320023 /nfs/dbraw/zinc/32/00/23/1063320023.db2.gz HFVJYJOVJRPXCS-SJORKVTESA-N 2 2 320.525 4.069 20 0 DIADLP C([NH2+]C1CCCCCC1)C1([NH+]2CCSCC2)CCCCC1 ZINC001461208449 1063332647 /nfs/dbraw/zinc/33/26/47/1063332647.db2.gz RFDMTPLKAMIUGX-UHFFFAOYSA-N 2 2 310.551 4.051 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]CC[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC001461245201 1063359869 /nfs/dbraw/zinc/35/98/69/1063359869.db2.gz ZDWCBVXEZSKWBP-SFHVURJKSA-N 2 2 322.496 4.402 20 0 DIADLP Cc1ccc(-c2ccccc2C[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC001461245201 1063359892 /nfs/dbraw/zinc/35/98/92/1063359892.db2.gz ZDWCBVXEZSKWBP-SFHVURJKSA-N 2 2 322.496 4.402 20 0 DIADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1F ZINC001258008146 1063461662 /nfs/dbraw/zinc/46/16/62/1063461662.db2.gz HESGXFDKMDYWQL-AWEZNQCLSA-N 2 2 310.432 4.044 20 0 DIADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC001258017562 1063467349 /nfs/dbraw/zinc/46/73/49/1063467349.db2.gz MGZSXGAUZKTOMG-IBGZPJMESA-N 2 2 322.443 4.222 20 0 DIADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC001258017562 1063467364 /nfs/dbraw/zinc/46/73/64/1063467364.db2.gz MGZSXGAUZKTOMG-IBGZPJMESA-N 2 2 322.443 4.222 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1F ZINC001473171363 1063476789 /nfs/dbraw/zinc/47/67/89/1063476789.db2.gz XEVQHPXLVIFEFM-IEBWSBKVSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1F ZINC001473171363 1063476795 /nfs/dbraw/zinc/47/67/95/1063476795.db2.gz XEVQHPXLVIFEFM-IEBWSBKVSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC001473171363 1063476798 /nfs/dbraw/zinc/47/67/98/1063476798.db2.gz XEVQHPXLVIFEFM-IEBWSBKVSA-N 2 2 318.480 4.221 20 0 DIADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC001473171363 1063476805 /nfs/dbraw/zinc/47/68/05/1063476805.db2.gz XEVQHPXLVIFEFM-IEBWSBKVSA-N 2 2 318.480 4.221 20 0 DIADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258056953 1063487748 /nfs/dbraw/zinc/48/77/48/1063487748.db2.gz BJEKJRTWRHHGOO-ZWKOTPCHSA-N 2 2 317.521 4.348 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258056952 1063487954 /nfs/dbraw/zinc/48/79/54/1063487954.db2.gz BJEKJRTWRHHGOO-ROUUACIJSA-N 2 2 317.521 4.348 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001258073926 1063499956 /nfs/dbraw/zinc/49/99/56/1063499956.db2.gz HGDNUJSIJAGORF-IRXDYDNUSA-N 2 2 303.494 4.101 20 0 DIADLP CC(C)C[C@H](C)C[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258077993 1063506106 /nfs/dbraw/zinc/50/61/06/1063506106.db2.gz PQRBMEYPHBLGEX-HOTGVXAUSA-N 2 2 321.484 4.240 20 0 DIADLP c1ccc(CC[NH+]2CCC([NH+]3C4CCCC3CCC4)CC2)cc1 ZINC001258149058 1063533147 /nfs/dbraw/zinc/53/31/47/1063533147.db2.gz WBNVUKPTUDAALB-UHFFFAOYSA-N 2 2 312.501 4.101 20 0 DIADLP C[C@H]1CC([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)C1 ZINC001258160014 1063536297 /nfs/dbraw/zinc/53/62/97/1063536297.db2.gz PGXOWIXWQWQWKB-QZTJIDSGSA-N 2 2 314.517 4.408 20 0 DIADLP C[C@H]1CC([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)C1 ZINC001258160014 1063536314 /nfs/dbraw/zinc/53/63/14/1063536314.db2.gz PGXOWIXWQWQWKB-QZTJIDSGSA-N 2 2 314.517 4.408 20 0 DIADLP CC1(C)C[C@H]([NH2+]CCC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC001461559521 1063580853 /nfs/dbraw/zinc/58/08/53/1063580853.db2.gz NKNMFDUCNRHDBY-KRWDZBQOSA-N 2 2 322.443 4.065 20 0 DIADLP CC1(C)C[C@H]([NH2+]CCC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC001461559521 1063580868 /nfs/dbraw/zinc/58/08/68/1063580868.db2.gz NKNMFDUCNRHDBY-KRWDZBQOSA-N 2 2 322.443 4.065 20 0 DIADLP CC1(C)CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001258281598 1063585100 /nfs/dbraw/zinc/58/51/00/1063585100.db2.gz MJAARXLQOHHLGQ-BRWVUGGUSA-N 2 2 301.478 4.127 20 0 DIADLP CSC(C)(C)C[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258329908 1063612657 /nfs/dbraw/zinc/61/26/57/1063612657.db2.gz NJUVNOVKJNTRFS-CYBMUJFWSA-N 2 2 303.475 4.102 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)o2)cc1 ZINC001461614785 1063613828 /nfs/dbraw/zinc/61/38/28/1063613828.db2.gz AODLWJMRAJCVLV-UHFFFAOYSA-N 2 2 314.473 4.323 20 0 DIADLP Cc1ccc(-c2ccc(C[NH2+]CCC[N@H+](C)CC(C)C)o2)cc1 ZINC001461614785 1063613833 /nfs/dbraw/zinc/61/38/33/1063613833.db2.gz AODLWJMRAJCVLV-UHFFFAOYSA-N 2 2 314.473 4.323 20 0 DIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc2cccnc12 ZINC001461646887 1063635045 /nfs/dbraw/zinc/63/50/45/1063635045.db2.gz VTLYOIYYHMUUDV-FQEVSTJZSA-N 2 2 323.484 4.040 20 0 DIADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc2cccnc12 ZINC001461646887 1063635050 /nfs/dbraw/zinc/63/50/50/1063635050.db2.gz VTLYOIYYHMUUDV-FQEVSTJZSA-N 2 2 323.484 4.040 20 0 DIADLP CCCC1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001258534734 1063687905 /nfs/dbraw/zinc/68/79/05/1063687905.db2.gz QVYPSAOBQXRKEY-UHFFFAOYSA-N 2 2 319.468 4.138 20 0 DIADLP C[N@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001258600712 1063705824 /nfs/dbraw/zinc/70/58/24/1063705824.db2.gz NHKNJYMUEWOGNQ-IBGZPJMESA-N 2 2 300.490 4.162 20 0 DIADLP C[N@@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001258600712 1063705839 /nfs/dbraw/zinc/70/58/39/1063705839.db2.gz NHKNJYMUEWOGNQ-IBGZPJMESA-N 2 2 300.490 4.162 20 0 DIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841707 1063745782 /nfs/dbraw/zinc/74/57/82/1063745782.db2.gz HKXLRQRFFNDABS-INIZCTEOSA-N 2 2 306.494 4.049 20 0 DIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841707 1063745798 /nfs/dbraw/zinc/74/57/98/1063745798.db2.gz HKXLRQRFFNDABS-INIZCTEOSA-N 2 2 306.494 4.049 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841707 1063745806 /nfs/dbraw/zinc/74/58/06/1063745806.db2.gz HKXLRQRFFNDABS-INIZCTEOSA-N 2 2 306.494 4.049 20 0 DIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)oc2C)C1 ZINC001461841707 1063745818 /nfs/dbraw/zinc/74/58/18/1063745818.db2.gz HKXLRQRFFNDABS-INIZCTEOSA-N 2 2 306.494 4.049 20 0 DIADLP C[C@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC(C)(C)C1 ZINC001258691620 1063754937 /nfs/dbraw/zinc/75/49/37/1063754937.db2.gz HDPVPKAAVNMJTP-XLAORIBOSA-N 2 2 315.505 4.373 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258707123 1063764236 /nfs/dbraw/zinc/76/42/36/1063764236.db2.gz BOLZKPBXCUKXSN-OALUTQOASA-N 2 2 300.490 4.004 20 0 DIADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258707123 1063764246 /nfs/dbraw/zinc/76/42/46/1063764246.db2.gz BOLZKPBXCUKXSN-OALUTQOASA-N 2 2 300.490 4.004 20 0 DIADLP C[C@H](Cc1ccsc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461909207 1063790482 /nfs/dbraw/zinc/79/04/82/1063790482.db2.gz CGHSQVWCKCCHOF-CYBMUJFWSA-N 2 2 317.483 4.058 20 0 DIADLP C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461909207 1063790494 /nfs/dbraw/zinc/79/04/94/1063790494.db2.gz CGHSQVWCKCCHOF-CYBMUJFWSA-N 2 2 317.483 4.058 20 0 DIADLP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001258744935 1063796179 /nfs/dbraw/zinc/79/61/79/1063796179.db2.gz HBSZOCDJGBMECU-INIZCTEOSA-N 2 2 320.908 4.221 20 0 DIADLP C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001258750857 1063798759 /nfs/dbraw/zinc/79/87/59/1063798759.db2.gz BZBMGGMTQAUGSS-MRXNPFEDSA-N 2 2 320.908 4.221 20 0 DIADLP CCC[NH+]1CCC([NH2+]Cc2c(C)cc(Cl)cc2Cl)CC1 ZINC001258766386 1063812969 /nfs/dbraw/zinc/81/29/69/1063812969.db2.gz SVUQKUYTDBFPDJ-UHFFFAOYSA-N 2 2 315.288 4.266 20 0 DIADLP CC[C@H](C[C@@H](C)CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258782095 1063820120 /nfs/dbraw/zinc/82/01/20/1063820120.db2.gz KCCFZLHRLPCNOB-FUHWJXTLSA-N 2 2 303.494 4.102 20 0 DIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828955 1063854692 /nfs/dbraw/zinc/85/46/92/1063854692.db2.gz UJVQKOPGPYYKMV-APWZRJJASA-N 2 2 318.480 4.301 20 0 DIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001258828955 1063854699 /nfs/dbraw/zinc/85/46/99/1063854699.db2.gz UJVQKOPGPYYKMV-APWZRJJASA-N 2 2 318.480 4.301 20 0 DIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc2ccccc12 ZINC000378907377 1063981737 /nfs/dbraw/zinc/98/17/37/1063981737.db2.gz QKCABUUADKTOLE-KRWDZBQOSA-N 2 2 313.470 4.302 20 0 DIADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379622869 1063984533 /nfs/dbraw/zinc/98/45/33/1063984533.db2.gz HFPQQZQULPODIB-VKVQTHCXSA-N 2 2 320.480 4.344 20 0 DIADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379622869 1063984538 /nfs/dbraw/zinc/98/45/38/1063984538.db2.gz HFPQQZQULPODIB-VKVQTHCXSA-N 2 2 320.480 4.344 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379627973 1063985047 /nfs/dbraw/zinc/98/50/47/1063985047.db2.gz NFBJQTKOBOYFFV-MJGOQNOKSA-N 2 2 302.506 4.455 20 0 DIADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379627973 1063985050 /nfs/dbraw/zinc/98/50/50/1063985050.db2.gz NFBJQTKOBOYFFV-MJGOQNOKSA-N 2 2 302.506 4.455 20 0 DIADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000379674173 1063988283 /nfs/dbraw/zinc/98/82/83/1063988283.db2.gz STUCBZSWJVAYAX-QGZVFWFLSA-N 2 2 324.459 4.312 20 0 DIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000379674173 1063988288 /nfs/dbraw/zinc/98/82/88/1063988288.db2.gz STUCBZSWJVAYAX-QGZVFWFLSA-N 2 2 324.459 4.312 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471324 1064074871 /nfs/dbraw/zinc/07/48/71/1064074871.db2.gz TYVWEXAISYKAHB-QUCCMNQESA-N 2 2 314.517 4.457 20 0 DIADLP C[C@@H]1CCC[C@H](C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000387471324 1064074880 /nfs/dbraw/zinc/07/48/80/1064074880.db2.gz TYVWEXAISYKAHB-QUCCMNQESA-N 2 2 314.517 4.457 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390521515 1064161673 /nfs/dbraw/zinc/16/16/73/1064161673.db2.gz GUDVJQYRGIGLHE-MISYRCLQSA-N 2 2 300.490 4.209 20 0 DIADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390521515 1064161679 /nfs/dbraw/zinc/16/16/79/1064161679.db2.gz GUDVJQYRGIGLHE-MISYRCLQSA-N 2 2 300.490 4.209 20 0 DIADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)cc1 ZINC001279145069 1064335322 /nfs/dbraw/zinc/33/53/22/1064335322.db2.gz UEPLUECWCQUVMA-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)cc1 ZINC001279145069 1064335327 /nfs/dbraw/zinc/33/53/27/1064335327.db2.gz UEPLUECWCQUVMA-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001279145069 1064335336 /nfs/dbraw/zinc/33/53/36/1064335336.db2.gz UEPLUECWCQUVMA-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP Fc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)cc1 ZINC001279145069 1064335347 /nfs/dbraw/zinc/33/53/47/1064335347.db2.gz UEPLUECWCQUVMA-HXUWFJFHSA-N 2 2 316.464 4.056 20 0 DIADLP c1cc2ccc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)cc2[nH]1 ZINC001279278460 1064342607 /nfs/dbraw/zinc/34/26/07/1064342607.db2.gz DFMUSCSPEDXXAV-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP c1cc2ccc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)cc2[nH]1 ZINC001279278460 1064342616 /nfs/dbraw/zinc/34/26/16/1064342616.db2.gz DFMUSCSPEDXXAV-UHFFFAOYSA-N 2 2 323.484 4.008 20 0 DIADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1F ZINC000650743440 1064590655 /nfs/dbraw/zinc/59/06/55/1064590655.db2.gz TULUDYRIELMCCW-UXPWSPDFSA-N 2 2 312.432 4.360 20 0 DIADLP Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001307566252 1065486242 /nfs/dbraw/zinc/48/62/42/1065486242.db2.gz HGCTVZHYCXDVLI-FUHWJXTLSA-N 2 2 320.546 4.186 20 0 DIADLP Cc1ccccc1SC[C@@H](C)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001307566252 1065486250 /nfs/dbraw/zinc/48/62/50/1065486250.db2.gz HGCTVZHYCXDVLI-FUHWJXTLSA-N 2 2 320.546 4.186 20 0 DIADLP C(=C/c1ccccc1)\CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307677263 1065555755 /nfs/dbraw/zinc/55/57/55/1065555755.db2.gz XNSJYACMIOXBGL-RUDMXATFSA-N 2 2 323.484 4.479 20 0 DIADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001307980350 1065710469 /nfs/dbraw/zinc/71/04/69/1065710469.db2.gz WWWJWVQKJDHJAN-HNNXBMFYSA-N 2 2 306.881 4.351 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001308166952 1065786453 /nfs/dbraw/zinc/78/64/53/1065786453.db2.gz ZSZVNPMWDKIJHR-SQNIBIBYSA-N 2 2 315.505 4.254 20 0 DIADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001308166952 1065786465 /nfs/dbraw/zinc/78/64/65/1065786465.db2.gz ZSZVNPMWDKIJHR-SQNIBIBYSA-N 2 2 315.505 4.254 20 0 DIADLP CC[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001308195061 1065804718 /nfs/dbraw/zinc/80/47/18/1065804718.db2.gz XJDPMRIHUTUOCS-HXUWFJFHSA-N 2 2 319.452 4.215 20 0 DIADLP C[C@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC001308219595 1065827134 /nfs/dbraw/zinc/82/71/34/1065827134.db2.gz HINDJARQJNJGIM-DFQSSKMNSA-N 2 2 300.490 4.238 20 0 DIADLP Cc1c(Cl)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001308233294 1065841262 /nfs/dbraw/zinc/84/12/62/1065841262.db2.gz APBGOYQCPIAQOS-UHFFFAOYSA-N 2 2 311.816 4.124 20 0 DIADLP CSc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC001308237705 1065842917 /nfs/dbraw/zinc/84/29/17/1065842917.db2.gz PJXDHIVILKOSOB-UHFFFAOYSA-N 2 2 322.518 4.136 20 0 DIADLP CC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274863 1065874449 /nfs/dbraw/zinc/87/44/49/1065874449.db2.gz OBORKGIYDFZUKH-IRLDBZIGSA-N 2 2 322.496 4.434 20 0 DIADLP CC[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001308274863 1065874463 /nfs/dbraw/zinc/87/44/63/1065874463.db2.gz OBORKGIYDFZUKH-IRLDBZIGSA-N 2 2 322.496 4.434 20 0 DIADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308303790 1065898851 /nfs/dbraw/zinc/89/88/51/1065898851.db2.gz SPOKJOYQZWTADQ-JKSUJKDBSA-N 2 2 321.515 4.088 20 0 DIADLP CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308303788 1065899604 /nfs/dbraw/zinc/89/96/04/1065899604.db2.gz SPOKJOYQZWTADQ-HOTGVXAUSA-N 2 2 321.515 4.088 20 0 DIADLP C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308361083 1065939253 /nfs/dbraw/zinc/93/92/53/1065939253.db2.gz VYFKREDHPBOKPD-CYBMUJFWSA-N 2 2 313.351 4.001 20 0 DIADLP Fc1cccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001308492264 1066026626 /nfs/dbraw/zinc/02/66/26/1066026626.db2.gz KAAQLZHNTGPBTQ-LQOHYYORSA-N 2 2 316.464 4.226 20 0 DIADLP Fc1cccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001308492264 1066026635 /nfs/dbraw/zinc/02/66/35/1066026635.db2.gz KAAQLZHNTGPBTQ-LQOHYYORSA-N 2 2 316.464 4.226 20 0 DIADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001308593779 1066104677 /nfs/dbraw/zinc/10/46/77/1066104677.db2.gz JTBSDRWUNWXMOA-HNNXBMFYSA-N 2 2 308.897 4.066 20 0 DIADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001308593779 1066104684 /nfs/dbraw/zinc/10/46/84/1066104684.db2.gz JTBSDRWUNWXMOA-HNNXBMFYSA-N 2 2 308.897 4.066 20 0 DIADLP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001308864142 1066343607 /nfs/dbraw/zinc/34/36/07/1066343607.db2.gz KRWWXJILTIAJMR-PNYFIKQUSA-N 2 2 304.522 4.342 20 0 DIADLP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001308864142 1066343621 /nfs/dbraw/zinc/34/36/21/1066343621.db2.gz KRWWXJILTIAJMR-PNYFIKQUSA-N 2 2 304.522 4.342 20 0 DIADLP CCC1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC001308876699 1066354764 /nfs/dbraw/zinc/35/47/64/1066354764.db2.gz NZLXTGDVFADJQV-NKELODKYSA-N 2 2 311.473 4.262 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001308893786 1066373433 /nfs/dbraw/zinc/37/34/33/1066373433.db2.gz FVMPSBHZGVANTC-ACRUOGEOSA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001308893786 1066373449 /nfs/dbraw/zinc/37/34/49/1066373449.db2.gz FVMPSBHZGVANTC-ACRUOGEOSA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001308893788 1066373510 /nfs/dbraw/zinc/37/35/10/1066373510.db2.gz FVMPSBHZGVANTC-HKBOAZHASA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001308893788 1066373524 /nfs/dbraw/zinc/37/35/24/1066373524.db2.gz FVMPSBHZGVANTC-HKBOAZHASA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001308893790 1066373591 /nfs/dbraw/zinc/37/35/91/1066373591.db2.gz FVMPSBHZGVANTC-PCCBWWKXSA-N 2 2 312.501 4.238 20 0 DIADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001308893790 1066373606 /nfs/dbraw/zinc/37/36/06/1066373606.db2.gz FVMPSBHZGVANTC-PCCBWWKXSA-N 2 2 312.501 4.238 20 0 DIADLP C[C@@H](CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001308916237 1066394513 /nfs/dbraw/zinc/39/45/13/1066394513.db2.gz VFYFALUWMOBKBD-GHTZIAJQSA-N 2 2 319.452 4.408 20 0 DIADLP CCCc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001308943102 1066411424 /nfs/dbraw/zinc/41/14/24/1066411424.db2.gz KATOVCUIIMNDDT-UHFFFAOYSA-N 2 2 309.457 4.111 20 0 DIADLP