smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cn(CCN2CC[NH+](CC3CCC3)CC2)c[nH+]1 ZINC001506430595 988783424 /nfs/dbraw/zinc/78/34/24/988783424.db2.gz XMTHLVNBNOKLON-UHFFFAOYSA-N 2 2 248.374 1.301 50 0 BDAALP CCn1c[nH+]cc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421408448 192332880 /nfs/dbraw/zinc/33/28/80/192332880.db2.gz LGGMIAAXCHQBNR-LBPRGKRZSA-N 2 2 236.363 1.429 50 0 BDAALP CCn1c[nH+]cc1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421408448 192332881 /nfs/dbraw/zinc/33/28/81/192332881.db2.gz LGGMIAAXCHQBNR-LBPRGKRZSA-N 2 2 236.363 1.429 50 0 BDAALP [NH3+][C@H](c1ccc(O)cc1)[C@H]([NH3+])c1ccc(O)cc1 ZINC000019359764 342946853 /nfs/dbraw/zinc/94/68/53/342946853.db2.gz FQRUNJQARWTBBE-ZIAGYGMSSA-N 2 2 244.294 1.798 50 0 BDAALP [NH3+][C@@H](c1ccncc1)[C@@H]([NH3+])c1ccncc1 ZINC000022594469 343052225 /nfs/dbraw/zinc/05/22/25/343052225.db2.gz HWXSNBQACUQDTF-RYUDHWBXSA-N 2 2 214.272 1.176 50 0 BDAALP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000061981411 537936633 /nfs/dbraw/zinc/93/66/33/537936633.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[N@H+]1CC[C@@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000061981411 537936638 /nfs/dbraw/zinc/93/66/38/537936638.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000061981411 537936642 /nfs/dbraw/zinc/93/66/42/537936642.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000061981411 537936646 /nfs/dbraw/zinc/93/66/46/537936646.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000061981411 537936650 /nfs/dbraw/zinc/93/66/50/537936650.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000061981411 537936653 /nfs/dbraw/zinc/93/66/53/537936653.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 2 2 249.402 1.440 50 0 BDAALP Cc1cccc(C[NH2+]CCC[NH+]2CCOCC2)c1 ZINC000002518409 179089940 /nfs/dbraw/zinc/08/99/40/179089940.db2.gz GUWBXULZILRFNC-UHFFFAOYSA-N 2 2 248.370 1.807 50 0 BDAALP CC(C)[C@H](C(=O)Nc1cc[nH+]cc1O)[NH+](C)C ZINC000195557078 347641261 /nfs/dbraw/zinc/64/12/61/347641261.db2.gz HQADLSLUZSXRKW-LLVKDONJSA-N 2 2 237.303 1.312 50 0 BDAALP Cc1nc(NCCC[NH+](C)C)c2c([nH+]1)CCC2 ZINC000012016446 180069794 /nfs/dbraw/zinc/06/97/94/180069794.db2.gz BPSJOEYANYVYIW-UHFFFAOYSA-N 2 2 234.347 1.637 50 0 BDAALP Cc1[nH+]c2ccccn2c1CN1CC[NH2+]CC1 ZINC000020268067 180107408 /nfs/dbraw/zinc/10/74/08/180107408.db2.gz XNHBRUJFXUNHFT-UHFFFAOYSA-N 2 2 230.315 1.048 50 0 BDAALP Cc1ncsc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000168788401 180316675 /nfs/dbraw/zinc/31/66/75/180316675.db2.gz DQPPXHXQGFZIHH-VIFPVBQESA-N 2 2 211.334 1.375 50 0 BDAALP Cc1ncsc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000168788401 180316677 /nfs/dbraw/zinc/31/66/77/180316677.db2.gz DQPPXHXQGFZIHH-VIFPVBQESA-N 2 2 211.334 1.375 50 0 BDAALP Cc1[nH+]c(CN2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])n(C)c1C ZINC000426574772 191097902 /nfs/dbraw/zinc/09/79/02/191097902.db2.gz PQCKUCMTXQZPGJ-IMRBUKKESA-N 2 2 248.374 1.206 50 0 BDAALP CC(=O)Nc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000097095617 188017729 /nfs/dbraw/zinc/01/77/29/188017729.db2.gz BKRAUQXIAFVCJH-SNVBAGLBSA-N 2 2 235.331 1.424 50 0 BDAALP CC(=O)Nc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000097095617 188017731 /nfs/dbraw/zinc/01/77/31/188017731.db2.gz BKRAUQXIAFVCJH-SNVBAGLBSA-N 2 2 235.331 1.424 50 0 BDAALP Cc1c[nH+]c(-c2ccncc2)n1CC[NH3+] ZINC000169793061 361130883 /nfs/dbraw/zinc/13/08/83/361130883.db2.gz DSHRLCHGQMQGBY-UHFFFAOYSA-N 2 2 202.261 1.212 50 0 BDAALP OC[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000125248260 183148870 /nfs/dbraw/zinc/14/88/70/183148870.db2.gz UYDBXBKOFUFCJW-CHWSQXEVSA-N 2 2 237.347 1.414 50 0 BDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1[nH]nc2c1CCC2 ZINC000067805027 383948989 /nfs/dbraw/zinc/94/89/89/383948989.db2.gz AKJJTBJVEKNXOA-JTQLQIEISA-N 2 2 245.330 1.273 50 0 BDAALP c1ccc2[nH+]c(NCC[NH+]3CCOCC3)[nH]c2c1 ZINC000012407316 384319211 /nfs/dbraw/zinc/31/92/11/384319211.db2.gz XJUIYNGXCRSPFR-UHFFFAOYSA-N 2 2 246.314 1.307 50 0 BDAALP [NH3+]C[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000034217625 385276573 /nfs/dbraw/zinc/27/65/73/385276573.db2.gz YWVCBDDTRSTVDU-GFCCVEGCSA-N 2 2 222.357 1.563 50 0 BDAALP [NH3+]C[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000034217625 385276577 /nfs/dbraw/zinc/27/65/77/385276577.db2.gz YWVCBDDTRSTVDU-GFCCVEGCSA-N 2 2 222.357 1.563 50 0 BDAALP C[NH+](C)CCC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC000216059209 385858676 /nfs/dbraw/zinc/85/86/76/385858676.db2.gz XRHMZCPDNZTCHO-CHWSQXEVSA-N 2 2 238.375 1.772 50 0 BDAALP C[NH+](C)CCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC000216059209 385858680 /nfs/dbraw/zinc/85/86/80/385858680.db2.gz XRHMZCPDNZTCHO-CHWSQXEVSA-N 2 2 238.375 1.772 50 0 BDAALP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000034791709 398015028 /nfs/dbraw/zinc/01/50/28/398015028.db2.gz AOFYPWKDRUVVTF-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000034791709 398015033 /nfs/dbraw/zinc/01/50/33/398015033.db2.gz AOFYPWKDRUVVTF-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP CC(C)[C@@H](CO)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000097094631 168180914 /nfs/dbraw/zinc/18/09/14/168180914.db2.gz IODJIOPYFRXKGQ-CYBMUJFWSA-N 2 2 228.380 1.325 50 0 BDAALP Cc1cc(N2CC([NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC000585092611 491075535 /nfs/dbraw/zinc/07/55/35/491075535.db2.gz GUZREQJGXWCTHW-UHFFFAOYSA-N 2 2 232.331 1.378 50 0 BDAALP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000020457117 518197767 /nfs/dbraw/zinc/19/77/67/518197767.db2.gz MOFLDIVZDXWOLI-NSHDSACASA-N 2 2 206.289 1.315 50 0 BDAALP [NH3+][C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000020457117 518197766 /nfs/dbraw/zinc/19/77/66/518197766.db2.gz MOFLDIVZDXWOLI-NSHDSACASA-N 2 2 206.289 1.315 50 0 BDAALP CC[N@@H+]1CCC[C@@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000046087896 583151157 /nfs/dbraw/zinc/15/11/57/583151157.db2.gz FCXVRVLSWBODOU-CQSZACIVSA-N 2 2 249.358 1.018 50 0 BDAALP CC[N@H+]1CCC[C@@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000046087896 583151159 /nfs/dbraw/zinc/15/11/59/583151159.db2.gz FCXVRVLSWBODOU-CQSZACIVSA-N 2 2 249.358 1.018 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000877870930 590434188 /nfs/dbraw/zinc/43/41/88/590434188.db2.gz IVUKWACLMOJZIM-GFCCVEGCSA-N 2 2 247.342 1.047 50 0 BDAALP OCCC[N@H+](CC1CC[NH2+]CC1)c1ccccc1 ZINC000240894795 187329872 /nfs/dbraw/zinc/32/98/72/187329872.db2.gz IPYCJISDWWTFAJ-UHFFFAOYSA-N 2 2 248.370 1.875 50 0 BDAALP OCCC[N@@H+](CC1CC[NH2+]CC1)c1ccccc1 ZINC000240894795 187329873 /nfs/dbraw/zinc/32/98/73/187329873.db2.gz IPYCJISDWWTFAJ-UHFFFAOYSA-N 2 2 248.370 1.875 50 0 BDAALP Cn1c2ccccc2[nH+]c1CCCC[NH3+] ZINC000004535856 342748919 /nfs/dbraw/zinc/74/89/19/342748919.db2.gz AEYIOAIKPNBNDG-UHFFFAOYSA-N 2 2 203.289 1.855 50 0 BDAALP COc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000019366952 342947322 /nfs/dbraw/zinc/94/73/22/342947322.db2.gz YEOXLCZSXSVSCH-UHFFFAOYSA-N 2 2 220.316 1.491 50 0 BDAALP COc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000019366952 342947324 /nfs/dbraw/zinc/94/73/24/342947324.db2.gz YEOXLCZSXSVSCH-UHFFFAOYSA-N 2 2 220.316 1.491 50 0 BDAALP Cc1nnsc1C[NH2+]CCc1cc[nH+]cc1C ZINC000397533790 346202472 /nfs/dbraw/zinc/20/24/72/346202472.db2.gz MZEMPAOWQPVUPT-UHFFFAOYSA-N 2 2 248.355 1.882 50 0 BDAALP Cc1ccccc1C[NH2+]CC[NH2+]C[C@@H](C)O ZINC000019370644 179280795 /nfs/dbraw/zinc/28/07/95/179280795.db2.gz RLUFZJLXNCTARB-GFCCVEGCSA-N 2 2 222.332 1.055 50 0 BDAALP [NH3+][C@H]1C[N@H+](Cc2ccccc2)CC12CC2 ZINC000034534959 350267188 /nfs/dbraw/zinc/26/71/88/350267188.db2.gz PGEGEJNTABPWJH-LBPRGKRZSA-N 2 2 202.301 1.610 50 0 BDAALP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)CC12CC2 ZINC000034534959 350267190 /nfs/dbraw/zinc/26/71/90/350267190.db2.gz PGEGEJNTABPWJH-LBPRGKRZSA-N 2 2 202.301 1.610 50 0 BDAALP Cc1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000351590055 356024559 /nfs/dbraw/zinc/02/45/59/356024559.db2.gz PYOBFISVCRIDJV-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP Cc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000351590055 356024562 /nfs/dbraw/zinc/02/45/62/356024562.db2.gz PYOBFISVCRIDJV-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000351590055 356024566 /nfs/dbraw/zinc/02/45/66/356024566.db2.gz PYOBFISVCRIDJV-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000351590055 356024569 /nfs/dbraw/zinc/02/45/69/356024569.db2.gz PYOBFISVCRIDJV-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP C1CC1[N@@H+]1CC[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000250877484 541441346 /nfs/dbraw/zinc/44/13/46/541441346.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000250877484 541441349 /nfs/dbraw/zinc/44/13/49/541441349.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000250877484 541441351 /nfs/dbraw/zinc/44/13/51/541441351.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000250877484 541441354 /nfs/dbraw/zinc/44/13/54/541441354.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000250877484 541441356 /nfs/dbraw/zinc/44/13/56/541441356.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000250877484 541441359 /nfs/dbraw/zinc/44/13/59/541441359.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 2 2 249.402 1.440 50 0 BDAALP [NH3+][C@H](C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019821260 371192096 /nfs/dbraw/zinc/19/20/96/371192096.db2.gz YQZODDBPSPWKIQ-GFCCVEGCSA-N 2 2 208.280 1.921 50 0 BDAALP c1c[nH]c(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)n1 ZINC000089884759 183325233 /nfs/dbraw/zinc/32/52/33/183325233.db2.gz ICQFVLKTYBAQCK-SNVBAGLBSA-N 2 2 231.303 1.273 50 0 BDAALP c1cn(CCn2cc[nH+]c2-c2ccncc2)c[nH+]1 ZINC000067909639 183332439 /nfs/dbraw/zinc/33/24/39/183332439.db2.gz VSRALDNLFUHYOZ-UHFFFAOYSA-N 2 2 239.282 1.842 50 0 BDAALP CCCSCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067725783 169339652 /nfs/dbraw/zinc/33/96/52/169339652.db2.gz GLKZIKPDZSREDR-SNVBAGLBSA-N 2 2 202.367 1.471 50 0 BDAALP C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904503 383920536 /nfs/dbraw/zinc/92/05/36/383920536.db2.gz XYFAEHZVQWTOPH-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904503 383920544 /nfs/dbraw/zinc/92/05/44/383920544.db2.gz XYFAEHZVQWTOPH-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000309573767 384029982 /nfs/dbraw/zinc/02/99/82/384029982.db2.gz OICZKMBJCFDHAR-YNEHKIRRSA-N 2 2 226.364 1.485 50 0 BDAALP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000309573767 384029988 /nfs/dbraw/zinc/02/99/88/384029988.db2.gz OICZKMBJCFDHAR-YNEHKIRRSA-N 2 2 226.364 1.485 50 0 BDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccn1C ZINC000050595819 384101051 /nfs/dbraw/zinc/10/10/51/384101051.db2.gz PQLRFRVKXVBUIQ-NSHDSACASA-N 2 2 218.304 1.400 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000042684200 384236871 /nfs/dbraw/zinc/23/68/71/384236871.db2.gz LODPYENASSOOBD-STQMWFEESA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000042684200 384236879 /nfs/dbraw/zinc/23/68/79/384236879.db2.gz LODPYENASSOOBD-STQMWFEESA-N 2 2 202.301 1.480 50 0 BDAALP C[NH+](C)CCCn1c2ccc(N)cc2[nH+]c1CO ZINC000044965589 384367123 /nfs/dbraw/zinc/36/71/23/384367123.db2.gz AYZVBZAFCLIAMK-UHFFFAOYSA-N 2 2 248.330 1.063 50 0 BDAALP c1cc2c(nc[nH+]c2N2CCc3[nH+]c[nH]c3C2)[nH]1 ZINC000029047753 132334305 /nfs/dbraw/zinc/33/43/05/132334305.db2.gz RNQMCOZOSONNRJ-UHFFFAOYSA-N 2 2 240.270 1.244 50 0 BDAALP Cc1ccc(C[NH2+]C[C@@]2(O)CCC[N@@H+](C)C2)o1 ZINC000046087418 411157585 /nfs/dbraw/zinc/15/75/85/411157585.db2.gz QTDCEGXVGAGSBV-ZDUSSCGKSA-N 2 2 238.331 1.134 50 0 BDAALP Cc1ccc(C[NH2+]C[C@@]2(O)CCC[N@H+](C)C2)o1 ZINC000046087418 411157590 /nfs/dbraw/zinc/15/75/90/411157590.db2.gz QTDCEGXVGAGSBV-ZDUSSCGKSA-N 2 2 238.331 1.134 50 0 BDAALP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C(C)C ZINC000072171132 171092791 /nfs/dbraw/zinc/09/27/91/171092791.db2.gz DYYJQWGCBWRBFT-GFCCVEGCSA-N 2 2 236.363 1.714 50 0 BDAALP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C(C)C ZINC000072171132 171092792 /nfs/dbraw/zinc/09/27/92/171092792.db2.gz DYYJQWGCBWRBFT-GFCCVEGCSA-N 2 2 236.363 1.714 50 0 BDAALP C[N@H+](Cc1ccco1)C[C@]1(O)CCC[NH+](C)C1 ZINC000041124069 173035806 /nfs/dbraw/zinc/03/58/06/173035806.db2.gz MAKMUVKZIONCES-ZDUSSCGKSA-N 2 2 238.331 1.168 50 0 BDAALP C[N@@H+](Cc1ccco1)C[C@]1(O)CCC[NH+](C)C1 ZINC000041124069 173035808 /nfs/dbraw/zinc/03/58/08/173035808.db2.gz MAKMUVKZIONCES-ZDUSSCGKSA-N 2 2 238.331 1.168 50 0 BDAALP C[NH+](Cc1ccco1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000041124069 173035810 /nfs/dbraw/zinc/03/58/10/173035810.db2.gz MAKMUVKZIONCES-ZDUSSCGKSA-N 2 2 238.331 1.168 50 0 BDAALP C[NH+](Cc1ccco1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000041124069 173035811 /nfs/dbraw/zinc/03/58/11/173035811.db2.gz MAKMUVKZIONCES-ZDUSSCGKSA-N 2 2 238.331 1.168 50 0 BDAALP COCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200614 174311699 /nfs/dbraw/zinc/31/16/99/174311699.db2.gz OYAIVJGOSSSHJC-LBPRGKRZSA-N 2 2 235.331 1.462 50 0 BDAALP COCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200614 174311700 /nfs/dbraw/zinc/31/17/00/174311700.db2.gz OYAIVJGOSSSHJC-LBPRGKRZSA-N 2 2 235.331 1.462 50 0 BDAALP C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1[nH]cc[nH+]1 ZINC000065422114 176070557 /nfs/dbraw/zinc/07/05/57/176070557.db2.gz WAFVKTTVUSCPFF-GFCCVEGCSA-N 2 2 236.363 1.716 50 0 BDAALP C[C@@H]1CCCC[N@H+]1CCN(C)Cc1[nH]cc[nH+]1 ZINC000065422114 176070559 /nfs/dbraw/zinc/07/05/59/176070559.db2.gz WAFVKTTVUSCPFF-GFCCVEGCSA-N 2 2 236.363 1.716 50 0 BDAALP C[NH+](C)[C@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1O ZINC000670458590 487511524 /nfs/dbraw/zinc/51/15/24/487511524.db2.gz YDDLZMQUHBIJOV-KBPBESRZSA-N 2 2 238.375 1.484 50 0 BDAALP C[NH+](C)[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1O ZINC000670458590 487511529 /nfs/dbraw/zinc/51/15/29/487511529.db2.gz YDDLZMQUHBIJOV-KBPBESRZSA-N 2 2 238.375 1.484 50 0 BDAALP C([C@H]1CCOC1)[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000253369261 518405457 /nfs/dbraw/zinc/40/54/57/518405457.db2.gz AKKCFUTZPKSJLU-KGLIPLIRSA-N 2 2 238.375 1.583 50 0 BDAALP C([C@H]1CCOC1)[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000253369261 518405463 /nfs/dbraw/zinc/40/54/63/518405463.db2.gz AKKCFUTZPKSJLU-KGLIPLIRSA-N 2 2 238.375 1.583 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH3+] ZINC000757216227 582560810 /nfs/dbraw/zinc/56/08/10/582560810.db2.gz ZDBPZWQXJQAQFU-WZYXQFPFSA-N 2 2 244.342 1.869 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH3+] ZINC000757216226 582561686 /nfs/dbraw/zinc/56/16/86/582561686.db2.gz ZDBPZWQXJQAQFU-ULOPGQLASA-N 2 2 244.342 1.869 50 0 BDAALP Cc1c[nH+]ccc1NCCNc1cc[nH+]cc1F ZINC001529172026 990336481 /nfs/dbraw/zinc/33/64/81/990336481.db2.gz GDBCJXXGMWWBET-UHFFFAOYSA-N 2 2 246.289 1.292 50 0 BDAALP c1cn([C@@H]2CCC[C@H]2[NH2+]C2CCOCC2)c[nH+]1 ZINC000037106389 538961829 /nfs/dbraw/zinc/96/18/29/538961829.db2.gz XQLSHRWPTKXEHA-CHWSQXEVSA-N 2 2 235.331 1.745 50 0 BDAALP Cc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)s1 ZINC000019217277 342943919 /nfs/dbraw/zinc/94/39/19/342943919.db2.gz JZZKGESVCWVVPX-VIFPVBQESA-N 2 2 228.361 1.117 50 0 BDAALP Fc1ccccc1[C@@H]1[NH2+]CC[C@@H]2[NH+]=CN[C@@H]21 ZINC000019804926 342958621 /nfs/dbraw/zinc/95/86/21/342958621.db2.gz CUGLGYBRHHCWRK-SRVKXCTJSA-N 2 2 219.263 1.229 50 0 BDAALP CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000042783324 343452888 /nfs/dbraw/zinc/45/28/88/343452888.db2.gz VJSDETCBJFSOJU-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000042783324 343452891 /nfs/dbraw/zinc/45/28/91/343452891.db2.gz VJSDETCBJFSOJU-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP COc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)ccc1[NH3+] ZINC000114003166 344682056 /nfs/dbraw/zinc/68/20/56/344682056.db2.gz ZBQZMPOLCXEVMD-ZDUSSCGKSA-N 2 2 249.358 1.841 50 0 BDAALP Cc1ncsc1CC[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000067433172 180307398 /nfs/dbraw/zinc/30/73/98/180307398.db2.gz FNBAWZOKICBZNA-NSHDSACASA-N 2 2 239.388 1.678 50 0 BDAALP Cc1ncsc1CC[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000067433172 180307399 /nfs/dbraw/zinc/30/73/99/180307399.db2.gz FNBAWZOKICBZNA-NSHDSACASA-N 2 2 239.388 1.678 50 0 BDAALP CC(C)C[NH+]1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000065385370 350579352 /nfs/dbraw/zinc/57/93/52/350579352.db2.gz VZSKTDBJVKZINK-UHFFFAOYSA-N 2 2 248.374 1.503 50 0 BDAALP COCCCC[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000170089056 361390851 /nfs/dbraw/zinc/39/08/51/361390851.db2.gz WBIOMKXTSKOHPQ-LBPRGKRZSA-N 2 2 237.347 1.523 50 0 BDAALP c1ccc2c(c1)CC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC000037246755 383964801 /nfs/dbraw/zinc/96/48/01/383964801.db2.gz JITYCRYXIKJRBA-AWEZNQCLSA-N 2 2 216.328 1.797 50 0 BDAALP c1ccc2c(c1)CC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC000037246755 383964807 /nfs/dbraw/zinc/96/48/07/383964807.db2.gz JITYCRYXIKJRBA-AWEZNQCLSA-N 2 2 216.328 1.797 50 0 BDAALP C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000039141097 384109789 /nfs/dbraw/zinc/10/97/89/384109789.db2.gz MIFUGVARDDDKRU-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000039141097 384109793 /nfs/dbraw/zinc/10/97/93/384109793.db2.gz MIFUGVARDDDKRU-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP c1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]1)C2 ZINC000019852656 384545481 /nfs/dbraw/zinc/54/54/81/384545481.db2.gz NWJDMSUBAMZDOC-AWEZNQCLSA-N 2 2 216.328 1.797 50 0 BDAALP c1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]1)C2 ZINC000019852656 384545488 /nfs/dbraw/zinc/54/54/88/384545488.db2.gz NWJDMSUBAMZDOC-AWEZNQCLSA-N 2 2 216.328 1.797 50 0 BDAALP Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CC[NH2+]C1 ZINC000169676826 385417108 /nfs/dbraw/zinc/41/71/08/385417108.db2.gz GPNHHRHPVHZIME-LBPRGKRZSA-N 2 2 228.299 1.788 50 0 BDAALP COc1cccc(C[NH+]2CC(n3cc[nH+]c3)C2)c1 ZINC000575550585 387654457 /nfs/dbraw/zinc/65/44/57/387654457.db2.gz WNCUINJAMMUTOS-UHFFFAOYSA-N 2 2 243.310 1.949 50 0 BDAALP CC[NH+](CC)CCC[N@@H+]1CCOC2(CCC2)C1 ZINC000170612344 388257203 /nfs/dbraw/zinc/25/72/03/388257203.db2.gz IAYCCAHEQVDQAK-UHFFFAOYSA-N 2 2 240.391 1.973 50 0 BDAALP CC[NH+](CC)CCC[N@H+]1CCOC2(CCC2)C1 ZINC000170612344 388257205 /nfs/dbraw/zinc/25/72/05/388257205.db2.gz IAYCCAHEQVDQAK-UHFFFAOYSA-N 2 2 240.391 1.973 50 0 BDAALP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)n1 ZINC000070093488 388433106 /nfs/dbraw/zinc/43/31/06/388433106.db2.gz KUOKCJVYBYXUHC-GFCCVEGCSA-N 2 2 249.358 1.522 50 0 BDAALP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000070093488 388433109 /nfs/dbraw/zinc/43/31/09/388433109.db2.gz KUOKCJVYBYXUHC-GFCCVEGCSA-N 2 2 249.358 1.522 50 0 BDAALP CS[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC000221673765 388594575 /nfs/dbraw/zinc/59/45/75/388594575.db2.gz ULAZLSDVKZZYMG-QWRGUYRKSA-N 2 2 216.394 1.810 50 0 BDAALP CS[C@@H](C)C[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC000221673765 388594578 /nfs/dbraw/zinc/59/45/78/388594578.db2.gz ULAZLSDVKZZYMG-QWRGUYRKSA-N 2 2 216.394 1.810 50 0 BDAALP Cc1cc(N2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC000264613475 132179314 /nfs/dbraw/zinc/17/93/14/132179314.db2.gz GHKPRPNLHUXKDI-UHFFFAOYSA-N 2 2 232.331 1.414 50 0 BDAALP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000034791711 398015214 /nfs/dbraw/zinc/01/52/14/398015214.db2.gz AOFYPWKDRUVVTF-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000034791711 398015217 /nfs/dbraw/zinc/01/52/17/398015217.db2.gz AOFYPWKDRUVVTF-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP c1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000022462414 397974557 /nfs/dbraw/zinc/97/45/57/397974557.db2.gz AFYZAHZKOFBVLE-ZIAGYGMSSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000022462414 397974560 /nfs/dbraw/zinc/97/45/60/397974560.db2.gz AFYZAHZKOFBVLE-ZIAGYGMSSA-N 2 2 216.328 1.870 50 0 BDAALP CC[NH2+]CCc1[nH]c2ccc(OC)cc2[nH+]1 ZINC000019089170 170118348 /nfs/dbraw/zinc/11/83/48/170118348.db2.gz OINNSAWMDNQJFP-UHFFFAOYSA-N 2 2 219.288 1.724 50 0 BDAALP C[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000020130244 173096025 /nfs/dbraw/zinc/09/60/25/173096025.db2.gz SWGOGZZKIMYIKE-UHFFFAOYSA-N 2 2 216.288 1.315 50 0 BDAALP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000072202845 487994862 /nfs/dbraw/zinc/99/48/62/487994862.db2.gz WGTVFCUKBBYBDH-NSHDSACASA-N 2 2 210.708 1.792 50 0 BDAALP Cn1cc[nH+]c1CN(C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000244795834 527429448 /nfs/dbraw/zinc/42/94/48/527429448.db2.gz ROJZHKPHVZPZRF-ZDUSSCGKSA-N 2 2 248.374 1.479 50 0 BDAALP Cn1cc[nH+]c1CN(C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000244795834 527429456 /nfs/dbraw/zinc/42/94/56/527429456.db2.gz ROJZHKPHVZPZRF-ZDUSSCGKSA-N 2 2 248.374 1.479 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@H]1[NH2+]CCC[C@@H]1[NH3+] ZINC000757213061 582560688 /nfs/dbraw/zinc/56/06/88/582560688.db2.gz NPBPLGPEEMOYOP-GWCFXTLKSA-N 2 2 230.315 1.623 50 0 BDAALP CC[N@@H+]1CCC[C@@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000046087892 583151150 /nfs/dbraw/zinc/15/11/50/583151150.db2.gz ZHGARTLEEXHEKU-CQSZACIVSA-N 2 2 249.358 1.018 50 0 BDAALP CC[N@H+]1CCC[C@@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000046087892 583151152 /nfs/dbraw/zinc/15/11/52/583151152.db2.gz ZHGARTLEEXHEKU-CQSZACIVSA-N 2 2 249.358 1.018 50 0 BDAALP c1cn(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC001506421014 988781821 /nfs/dbraw/zinc/78/18/21/988781821.db2.gz DCLLYSBWIDWBLX-AWEZNQCLSA-N 3 2 248.374 1.349 50 0 BDAALP c1cn(CCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC001506421014 988781840 /nfs/dbraw/zinc/78/18/40/988781840.db2.gz DCLLYSBWIDWBLX-AWEZNQCLSA-N 3 2 248.374 1.349 50 0 BDAALP Cc1cc(N)nc(SCCC[NH+](C)C)[nH+]1 ZINC000002601114 178109904 /nfs/dbraw/zinc/10/99/04/178109904.db2.gz WPPGHTJNDBHMKD-UHFFFAOYSA-N 2 2 226.349 1.411 50 0 BDAALP Cc1cc(NCCc2[nH+]ccn2C)nc[nH+]1 ZINC000040727446 178162867 /nfs/dbraw/zinc/16/28/67/178162867.db2.gz CNYYTSGMUDSLDE-UHFFFAOYSA-N 2 2 217.276 1.173 50 0 BDAALP Cc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)s1 ZINC000019217274 342943913 /nfs/dbraw/zinc/94/39/13/342943913.db2.gz JZZKGESVCWVVPX-SECBINFHSA-N 2 2 228.361 1.117 50 0 BDAALP Cc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1 ZINC000019370648 342947274 /nfs/dbraw/zinc/94/72/74/342947274.db2.gz HIWVTHJOUYZDGL-GFCCVEGCSA-N 2 2 222.332 1.055 50 0 BDAALP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@]1(C)O ZINC000091548722 187286403 /nfs/dbraw/zinc/28/64/03/187286403.db2.gz LEAMEHMSULCRAX-ZDUSSCGKSA-N 2 2 237.347 1.366 50 0 BDAALP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@]1(C)O ZINC000091548722 187286405 /nfs/dbraw/zinc/28/64/05/187286405.db2.gz LEAMEHMSULCRAX-ZDUSSCGKSA-N 2 2 237.347 1.366 50 0 BDAALP Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000020408082 179076907 /nfs/dbraw/zinc/07/69/07/179076907.db2.gz FCYOUKBTZOYXRZ-ZDUSSCGKSA-N 2 2 204.317 1.918 50 0 BDAALP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000020408082 179076909 /nfs/dbraw/zinc/07/69/09/179076909.db2.gz FCYOUKBTZOYXRZ-ZDUSSCGKSA-N 2 2 204.317 1.918 50 0 BDAALP Cc1[nH+]c2ccccc2n1[C@H]1CC[NH2+]C1 ZINC000051783666 350110737 /nfs/dbraw/zinc/11/07/37/350110737.db2.gz MQKMMOMIRYDQJX-JTQLQIEISA-N 2 2 201.273 1.879 50 0 BDAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc[nH]1)CCC2 ZINC000089884728 362953420 /nfs/dbraw/zinc/95/34/20/362953420.db2.gz UXRQHMWAFOAAFH-JTQLQIEISA-N 2 2 231.303 1.273 50 0 BDAALP c1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000022921709 368373419 /nfs/dbraw/zinc/37/34/19/368373419.db2.gz AFYZAHZKOFBVLE-KBPBESRZSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000022921709 368373421 /nfs/dbraw/zinc/37/34/21/368373421.db2.gz AFYZAHZKOFBVLE-KBPBESRZSA-N 2 2 216.328 1.870 50 0 BDAALP COC[C@H](C)[NH2+]Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000584890074 369037632 /nfs/dbraw/zinc/03/76/32/369037632.db2.gz CGNJHVNDUNCBST-VIFPVBQESA-N 2 2 233.315 1.996 50 0 BDAALP COC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000584890074 369037638 /nfs/dbraw/zinc/03/76/38/369037638.db2.gz CGNJHVNDUNCBST-VIFPVBQESA-N 2 2 233.315 1.996 50 0 BDAALP c1cn(-c2ccccc2)c(N2CC[NH2+]CC2)[nH+]1 ZINC000017200446 183386539 /nfs/dbraw/zinc/38/65/39/183386539.db2.gz GUIPUTNTMUWIHI-UHFFFAOYSA-N 2 2 228.299 1.282 50 0 BDAALP [NH3+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000004025631 384035495 /nfs/dbraw/zinc/03/54/95/384035495.db2.gz HBIDFINZRFQFBD-UHFFFAOYSA-N 2 2 207.664 1.984 50 0 BDAALP Nc1cccc(-c2cccc3c2CC[NH2+]C3)[nH+]1 ZINC000072164556 384197583 /nfs/dbraw/zinc/19/75/83/384197583.db2.gz IEMLSBXFXIXMLQ-UHFFFAOYSA-N 2 2 225.295 1.977 50 0 BDAALP c1cn(Cc2cccnc2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032249 384421019 /nfs/dbraw/zinc/42/10/19/384421019.db2.gz YKLCLDVSMQDSLG-ZDUSSCGKSA-N 2 2 242.326 1.793 50 0 BDAALP CC[C@@H]1CN(c2nc(N)cc[nH+]2)CC[N@@H+]1C(C)C ZINC000096149810 384437457 /nfs/dbraw/zinc/43/74/57/384437457.db2.gz RXFOOUYSRLLKTC-LLVKDONJSA-N 2 2 249.362 1.368 50 0 BDAALP CC[C@@H]1CN(c2nc(N)cc[nH+]2)CC[N@H+]1C(C)C ZINC000096149810 384437462 /nfs/dbraw/zinc/43/74/62/384437462.db2.gz RXFOOUYSRLLKTC-LLVKDONJSA-N 2 2 249.362 1.368 50 0 BDAALP CCC[C@@H]1CN(c2nc(N)cc[nH+]2)C[C@H]1[NH+](C)C ZINC000082097784 384648422 /nfs/dbraw/zinc/64/84/22/384648422.db2.gz ZFSDRDFLTOUQIY-GHMZBOCLSA-N 2 2 249.362 1.225 50 0 BDAALP c1ccc(OCCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000052092148 384713250 /nfs/dbraw/zinc/71/32/50/384713250.db2.gz JYSVEBIGDHILDT-CYBMUJFWSA-N 2 2 234.343 1.797 50 0 BDAALP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000095422879 384912477 /nfs/dbraw/zinc/91/24/77/384912477.db2.gz SOWNJVOVVPZNRA-KBPBESRZSA-N 2 2 242.407 1.979 50 0 BDAALP CCCC[N@H+](C)CC[NH2+][C@H]1CCSC1 ZINC000096477512 385196649 /nfs/dbraw/zinc/19/66/49/385196649.db2.gz SANASNARJZULAQ-NSHDSACASA-N 2 2 216.394 1.813 50 0 BDAALP CCCC[N@@H+](C)CC[NH2+][C@H]1CCSC1 ZINC000096477512 385196656 /nfs/dbraw/zinc/19/66/56/385196656.db2.gz SANASNARJZULAQ-NSHDSACASA-N 2 2 216.394 1.813 50 0 BDAALP C[NH+](C)C1CCN(c2cc(F)cc[nH+]2)CC1 ZINC000169725413 385418197 /nfs/dbraw/zinc/41/81/97/385418197.db2.gz BXNLUNXLTQTNPT-UHFFFAOYSA-N 2 2 223.295 1.751 50 0 BDAALP COc1c(C)cnc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000050249114 386738665 /nfs/dbraw/zinc/73/86/65/386738665.db2.gz RQSPWCBOFYBFSI-GFCCVEGCSA-N 2 2 249.358 1.488 50 0 BDAALP COc1c(C)cnc(C[N@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000050249114 386738670 /nfs/dbraw/zinc/73/86/70/386738670.db2.gz RQSPWCBOFYBFSI-GFCCVEGCSA-N 2 2 249.358 1.488 50 0 BDAALP CO[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000308399175 388437897 /nfs/dbraw/zinc/43/78/97/388437897.db2.gz UYWLCTIRLWUZQC-VXGBXAGGSA-N 2 2 235.331 1.430 50 0 BDAALP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000095067831 388591197 /nfs/dbraw/zinc/59/11/97/388591197.db2.gz YQBRLJWIIUWSJF-GFCCVEGCSA-N 2 2 208.280 1.667 50 0 BDAALP Cc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)c(C)[nH+]1 ZINC000094665922 388648514 /nfs/dbraw/zinc/64/85/14/388648514.db2.gz BHXYRASQQBMSSY-NSHDSACASA-N 2 2 249.314 1.015 50 0 BDAALP C[NH+](C)CC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000021149450 388798475 /nfs/dbraw/zinc/79/84/75/388798475.db2.gz DHCDJPNRPKXFHT-NSHDSACASA-N 2 2 214.353 1.343 50 0 BDAALP Cc1nnc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000095984087 388800144 /nfs/dbraw/zinc/80/01/44/388800144.db2.gz FFQAEMSCSBKNKU-SNVBAGLBSA-N 2 2 249.318 1.658 50 0 BDAALP Cc1nnc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000095984087 388800149 /nfs/dbraw/zinc/80/01/49/388800149.db2.gz FFQAEMSCSBKNKU-SNVBAGLBSA-N 2 2 249.318 1.658 50 0 BDAALP COCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051925347 174304527 /nfs/dbraw/zinc/30/45/27/174304527.db2.gz TVPJGCSPZUCTER-UHFFFAOYSA-N 2 2 212.337 1.193 50 0 BDAALP COc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000002577111 175329470 /nfs/dbraw/zinc/32/94/70/175329470.db2.gz YOFCVSFSSNPISO-UHFFFAOYSA-N 2 2 234.343 1.879 50 0 BDAALP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000238855995 176175159 /nfs/dbraw/zinc/17/51/59/176175159.db2.gz UMKXOVBYIBQJBM-DGCLKSJQSA-N 2 2 204.317 1.856 50 0 BDAALP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000238855995 176175160 /nfs/dbraw/zinc/17/51/60/176175160.db2.gz UMKXOVBYIBQJBM-DGCLKSJQSA-N 2 2 204.317 1.856 50 0 BDAALP Cn1cccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084321871 488044793 /nfs/dbraw/zinc/04/47/93/488044793.db2.gz CJIGSLZURPIDIC-LBPRGKRZSA-N 2 2 244.342 1.889 50 0 BDAALP Cc1c[nH]c(C[N@@H+](C)C[C@@H](C)n2cc[nH+]c2C)n1 ZINC000020542143 491097841 /nfs/dbraw/zinc/09/78/41/491097841.db2.gz KBTUGJKFEXYWBN-LLVKDONJSA-N 2 2 247.346 1.916 50 0 BDAALP Cc1c[nH]c(C[N@H+](C)C[C@@H](C)n2cc[nH+]c2C)n1 ZINC000020542143 491097842 /nfs/dbraw/zinc/09/78/42/491097842.db2.gz KBTUGJKFEXYWBN-LLVKDONJSA-N 2 2 247.346 1.916 50 0 BDAALP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221164097 524071617 /nfs/dbraw/zinc/07/16/17/524071617.db2.gz INHUBZGVAKKUNI-ZDUSSCGKSA-N 2 2 234.343 1.879 50 0 BDAALP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221164097 524071619 /nfs/dbraw/zinc/07/16/19/524071619.db2.gz INHUBZGVAKKUNI-ZDUSSCGKSA-N 2 2 234.343 1.879 50 0 BDAALP [NH3+]C[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000084085839 644417433 /nfs/dbraw/zinc/41/74/33/644417433.db2.gz XTIBMGMFXHFUOX-SECBINFHSA-N 2 2 225.723 1.516 50 0 BDAALP [NH3+]C[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000084085839 644417439 /nfs/dbraw/zinc/41/74/39/644417439.db2.gz XTIBMGMFXHFUOX-SECBINFHSA-N 2 2 225.723 1.516 50 0 BDAALP C1CCc2[nH+]c([C@@H]3CCC[NH2+]C3)[nH]c2C1 ZINC000076121475 398232025 /nfs/dbraw/zinc/23/20/25/398232025.db2.gz GKVVMQNOPVPKRS-SECBINFHSA-N 2 2 205.305 1.756 50 0 BDAALP C([C@@H]1CSCCC[NH2+]1)[NH+]1CCCCC1 ZINC000075172951 187277447 /nfs/dbraw/zinc/27/74/47/187277447.db2.gz SDPAUUUOUZICEK-LLVKDONJSA-N 2 2 214.378 1.567 50 0 BDAALP COc1cc(N2CC[C@@H]([NH3+])C(C)(C)C2)ccc1[NH3+] ZINC000114003164 344682152 /nfs/dbraw/zinc/68/21/52/344682152.db2.gz ZBQZMPOLCXEVMD-CYBMUJFWSA-N 2 2 249.358 1.841 50 0 BDAALP Cc1ccc(C[NH+]2CC(n3cc[nH+]c3)C2)o1 ZINC000409420817 344964571 /nfs/dbraw/zinc/96/45/71/344964571.db2.gz NWUDTGMNPSXNSG-UHFFFAOYSA-N 2 2 217.272 1.841 50 0 BDAALP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000334874506 187319499 /nfs/dbraw/zinc/31/94/99/187319499.db2.gz NWMIUWAAXASASQ-NSHDSACASA-N 2 2 205.305 1.312 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405692988 354841840 /nfs/dbraw/zinc/84/18/40/354841840.db2.gz DWZMTVBMIJZWLS-SGMGOOAPSA-N 2 2 234.343 1.946 50 0 BDAALP CC[C@@H]([NH3+])C(=O)Nc1ccc(C)[nH+]c1C ZINC000087152341 364766671 /nfs/dbraw/zinc/76/66/71/364766671.db2.gz XSCZHKPFGOTFEL-SECBINFHSA-N 2 2 207.277 1.374 50 0 BDAALP Cc1c[nH]c(CN(C)C[C@H]2CCC[N@H+]2C)[nH+]1 ZINC000584885819 369034471 /nfs/dbraw/zinc/03/44/71/369034471.db2.gz LOTZLNLAMJLXFM-LLVKDONJSA-N 2 2 222.336 1.244 50 0 BDAALP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000584890901 369038669 /nfs/dbraw/zinc/03/86/69/369038669.db2.gz MARAEQKDHRGPLA-NSHDSACASA-N 2 2 237.322 1.786 50 0 BDAALP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000584890901 369038675 /nfs/dbraw/zinc/03/86/75/369038675.db2.gz MARAEQKDHRGPLA-NSHDSACASA-N 2 2 237.322 1.786 50 0 BDAALP O=C(Nc1c[nH+]c2n1CCCC2)C1CC[NH2+]CC1 ZINC000067560269 182392080 /nfs/dbraw/zinc/39/20/80/182392080.db2.gz ILQATNPTJWMIPV-UHFFFAOYSA-N 2 2 248.330 1.158 50 0 BDAALP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000309573762 384029568 /nfs/dbraw/zinc/02/95/68/384029568.db2.gz OICZKMBJCFDHAR-AVGNSLFASA-N 2 2 226.364 1.485 50 0 BDAALP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000309573762 384029572 /nfs/dbraw/zinc/02/95/72/384029572.db2.gz OICZKMBJCFDHAR-AVGNSLFASA-N 2 2 226.364 1.485 50 0 BDAALP CC[C@H]1CN(c2nc(N)cc[nH+]2)CC[N@@H+]1C(C)C ZINC000096149811 384437623 /nfs/dbraw/zinc/43/76/23/384437623.db2.gz RXFOOUYSRLLKTC-NSHDSACASA-N 2 2 249.362 1.368 50 0 BDAALP CC[C@H]1CN(c2nc(N)cc[nH+]2)CC[N@H+]1C(C)C ZINC000096149811 384437630 /nfs/dbraw/zinc/43/76/30/384437630.db2.gz RXFOOUYSRLLKTC-NSHDSACASA-N 2 2 249.362 1.368 50 0 BDAALP Cc1csc[n+]1Cc1ccc[nH+]c1N ZINC000019801355 384540262 /nfs/dbraw/zinc/54/02/62/384540262.db2.gz ZHNFHENNDIMSHN-UHFFFAOYSA-N 2 2 206.294 1.370 50 0 BDAALP c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000020286359 384609380 /nfs/dbraw/zinc/60/93/80/384609380.db2.gz AFYZAHZKOFBVLE-UONOGXRCSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000020286359 384609389 /nfs/dbraw/zinc/60/93/89/384609389.db2.gz AFYZAHZKOFBVLE-UONOGXRCSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2C[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000082381431 384675714 /nfs/dbraw/zinc/67/57/14/384675714.db2.gz HSZHVFDKBROTBA-STQMWFEESA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@@H+]2C[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000082381431 384675718 /nfs/dbraw/zinc/67/57/18/384675718.db2.gz HSZHVFDKBROTBA-STQMWFEESA-N 2 2 202.301 1.480 50 0 BDAALP [NH3+]C[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000034217624 385277037 /nfs/dbraw/zinc/27/70/37/385277037.db2.gz YWVCBDDTRSTVDU-LBPRGKRZSA-N 2 2 222.357 1.563 50 0 BDAALP [NH3+]C[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000034217624 385277038 /nfs/dbraw/zinc/27/70/38/385277038.db2.gz YWVCBDDTRSTVDU-LBPRGKRZSA-N 2 2 222.357 1.563 50 0 BDAALP CNc1cc[nH+]c(N(C)CCn2cc[nH+]c2C)n1 ZINC000065534196 385323608 /nfs/dbraw/zinc/32/36/08/385323608.db2.gz YBZBGHRNYQUGOD-UHFFFAOYSA-N 2 2 246.318 1.160 50 0 BDAALP C[NH2+][C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000022465913 397973899 /nfs/dbraw/zinc/97/38/99/397973899.db2.gz HEJUZZDQTLAMIH-QWHCGFSZSA-N 2 2 220.316 1.014 50 0 BDAALP C[NH2+][C@H](C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000022465913 397973903 /nfs/dbraw/zinc/97/39/03/397973903.db2.gz HEJUZZDQTLAMIH-QWHCGFSZSA-N 2 2 220.316 1.014 50 0 BDAALP Cc1[nH]c(CN2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)c[nH+]1 ZINC000670438245 487487606 /nfs/dbraw/zinc/48/76/06/487487606.db2.gz OAZAXXFMKPJQHP-JSGCOSHPSA-N 2 2 248.374 1.634 50 0 BDAALP Cc1[nH]c(CN2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)c[nH+]1 ZINC000670438245 487487611 /nfs/dbraw/zinc/48/76/11/487487611.db2.gz OAZAXXFMKPJQHP-JSGCOSHPSA-N 2 2 248.374 1.634 50 0 BDAALP Cc1[nH]cc(CN2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)[nH+]1 ZINC000670438245 487487615 /nfs/dbraw/zinc/48/76/15/487487615.db2.gz OAZAXXFMKPJQHP-JSGCOSHPSA-N 2 2 248.374 1.634 50 0 BDAALP Cc1[nH]cc(CN2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)[nH+]1 ZINC000670438245 487487618 /nfs/dbraw/zinc/48/76/18/487487618.db2.gz OAZAXXFMKPJQHP-JSGCOSHPSA-N 2 2 248.374 1.634 50 0 BDAALP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccnc2N)CC1 ZINC000072122611 491122365 /nfs/dbraw/zinc/12/23/65/491122365.db2.gz UMDUCUYFCRMHPG-CYBMUJFWSA-N 2 2 248.374 1.580 50 0 BDAALP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccnc2N)CC1 ZINC000072122611 491122366 /nfs/dbraw/zinc/12/23/66/491122366.db2.gz UMDUCUYFCRMHPG-CYBMUJFWSA-N 2 2 248.374 1.580 50 0 BDAALP C[NH+](C)CC(C[NH+](C)C)OCc1ccccc1 ZINC000005092690 635210040 /nfs/dbraw/zinc/21/00/40/635210040.db2.gz ZRFPQQFPAWNLQG-UHFFFAOYSA-N 2 2 236.359 1.695 50 0 BDAALP C[C@H]1C[NH+](C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000000220437 642761257 /nfs/dbraw/zinc/76/12/57/642761257.db2.gz DBPYSMQZAZRHAF-QWRGUYRKSA-N 2 2 212.337 1.190 50 0 BDAALP CCc1cc(C[N@H+](C)CCc2[nH+]ccn2C)on1 ZINC001506421108 988777935 /nfs/dbraw/zinc/77/79/35/988777935.db2.gz FLOQRMLEOGWUJJ-UHFFFAOYSA-N 2 2 248.330 1.645 50 0 BDAALP CCc1cc(C[N@@H+](C)CCc2[nH+]ccn2C)on1 ZINC001506421108 988777948 /nfs/dbraw/zinc/77/79/48/988777948.db2.gz FLOQRMLEOGWUJJ-UHFFFAOYSA-N 2 2 248.330 1.645 50 0 BDAALP Cc1c(C[N@@H+](C)CCc2[nH+]ccn2C)cnn1C ZINC001506428168 988784695 /nfs/dbraw/zinc/78/46/95/988784695.db2.gz XSQSWKMLNBEKMO-UHFFFAOYSA-N 2 2 247.346 1.137 50 0 BDAALP Cc1c(C[N@H+](C)CCc2[nH+]ccn2C)cnn1C ZINC001506428168 988784704 /nfs/dbraw/zinc/78/47/04/988784704.db2.gz XSQSWKMLNBEKMO-UHFFFAOYSA-N 2 2 247.346 1.137 50 0 BDAALP C[NH+](C)CC[C@@H]1CCCCN1Cc1[nH]cc[nH+]1 ZINC000072425301 398180789 /nfs/dbraw/zinc/18/07/89/398180789.db2.gz ITYXKAQHPIPOCR-LBPRGKRZSA-N 2 2 236.363 1.716 50 0 BDAALP C[NH+]1CCC([N@H+](CCO)Cc2ccccc2)CC1 ZINC000000757874 342692251 /nfs/dbraw/zinc/69/22/51/342692251.db2.gz ISOUJYYDRUUWMG-UHFFFAOYSA-N 2 2 248.370 1.575 50 0 BDAALP C[NH+]1CCC([N@@H+](CCO)Cc2ccccc2)CC1 ZINC000000757874 342692253 /nfs/dbraw/zinc/69/22/53/342692253.db2.gz ISOUJYYDRUUWMG-UHFFFAOYSA-N 2 2 248.370 1.575 50 0 BDAALP Cc1ccc2[nH]c(N3CC[NH+](C)CC3)[nH+]c2c1 ZINC000005013411 342756564 /nfs/dbraw/zinc/75/65/64/342756564.db2.gz PRXJRQGRALJKMP-UHFFFAOYSA-N 2 2 230.315 1.623 50 0 BDAALP Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000035659104 343301611 /nfs/dbraw/zinc/30/16/11/343301611.db2.gz FLZQIFKWNRVEAS-UHFFFAOYSA-N 2 2 246.314 1.020 50 0 BDAALP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000020408081 179075088 /nfs/dbraw/zinc/07/50/88/179075088.db2.gz FCYOUKBTZOYXRZ-CYBMUJFWSA-N 2 2 204.317 1.918 50 0 BDAALP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000020408081 179075091 /nfs/dbraw/zinc/07/50/91/179075091.db2.gz FCYOUKBTZOYXRZ-CYBMUJFWSA-N 2 2 204.317 1.918 50 0 BDAALP [NH3+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000011729464 181345319 /nfs/dbraw/zinc/34/53/19/181345319.db2.gz BOFKUKJMMWHACT-UHFFFAOYSA-N 2 2 208.280 1.749 50 0 BDAALP OC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000065396103 183148281 /nfs/dbraw/zinc/14/82/81/183148281.db2.gz WZKKVDSCNWIRCX-CYBMUJFWSA-N 2 2 226.364 1.365 50 0 BDAALP OC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCCC1 ZINC000065396103 183148283 /nfs/dbraw/zinc/14/82/83/183148283.db2.gz WZKKVDSCNWIRCX-CYBMUJFWSA-N 2 2 226.364 1.365 50 0 BDAALP c1c[nH]c(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000089884758 183324322 /nfs/dbraw/zinc/32/43/22/183324322.db2.gz ICQFVLKTYBAQCK-JTQLQIEISA-N 2 2 231.303 1.273 50 0 BDAALP c1cn(CCCn2cc[nH+]c2[C@H]2CCOC2)c[nH+]1 ZINC000067739841 383940854 /nfs/dbraw/zinc/94/08/54/383940854.db2.gz DHWAWPZBLDPWKV-LBPRGKRZSA-N 2 2 246.314 1.674 50 0 BDAALP c1[nH]c(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)c[nH+]1 ZINC000067789068 383946546 /nfs/dbraw/zinc/94/65/46/383946546.db2.gz KSOWCHNXIXYGBU-UHFFFAOYSA-N 3 2 248.374 1.765 50 0 BDAALP c1[nH]c(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)c[nH+]1 ZINC000067789068 383946550 /nfs/dbraw/zinc/94/65/50/383946550.db2.gz KSOWCHNXIXYGBU-UHFFFAOYSA-N 3 2 248.374 1.765 50 0 BDAALP C[NH2+][C@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000019735490 384535103 /nfs/dbraw/zinc/53/51/03/384535103.db2.gz QZWNATGKKLVYRO-AWEZNQCLSA-N 2 2 248.370 1.922 50 0 BDAALP C[NH2+][C@H]1CCC[N@@H+](CCc2ccccc2OC)C1 ZINC000019735490 384535108 /nfs/dbraw/zinc/53/51/08/384535108.db2.gz QZWNATGKKLVYRO-AWEZNQCLSA-N 2 2 248.370 1.922 50 0 BDAALP C[NH+](C)CC[NH2+]CCCCOc1ccccc1 ZINC000020418794 384617331 /nfs/dbraw/zinc/61/73/31/384617331.db2.gz PASGKXZLACPVOR-UHFFFAOYSA-N 2 2 236.359 1.997 50 0 BDAALP C[C@H](CCN(C)Cc1[nH]cc[nH+]1)[NH+]1CCCC1 ZINC000065417257 385309585 /nfs/dbraw/zinc/30/95/85/385309585.db2.gz KXKVQOTXEDMKCF-GFCCVEGCSA-N 2 2 236.363 1.716 50 0 BDAALP Cc1nc(CC[N@H+](C)CCCn2cc[nH+]c2)no1 ZINC000271927559 385861809 /nfs/dbraw/zinc/86/18/09/385861809.db2.gz LMKVSRMIELBIDN-UHFFFAOYSA-N 2 2 249.318 1.139 50 0 BDAALP Cc1nc(CC[N@@H+](C)CCCn2cc[nH+]c2)no1 ZINC000271927559 385861814 /nfs/dbraw/zinc/86/18/14/385861814.db2.gz LMKVSRMIELBIDN-UHFFFAOYSA-N 2 2 249.318 1.139 50 0 BDAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(C3CC3)on1)C2 ZINC000299784302 386490397 /nfs/dbraw/zinc/49/03/97/386490397.db2.gz GLXSCFNSPWWAOQ-YABSGUDNSA-N 2 2 247.342 1.721 50 0 BDAALP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(C3CC3)on1)C2 ZINC000299784302 386490399 /nfs/dbraw/zinc/49/03/99/386490399.db2.gz GLXSCFNSPWWAOQ-YABSGUDNSA-N 2 2 247.342 1.721 50 0 BDAALP Cc1c[nH+]ccc1NC(=O)N(C)CC[NH+](C)C ZINC000096489240 388819856 /nfs/dbraw/zinc/81/98/56/388819856.db2.gz XAMDYUUEHCNQLU-UHFFFAOYSA-N 2 2 236.319 1.415 50 0 BDAALP C[N@H+](Cc1ccccc1)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087336 411156575 /nfs/dbraw/zinc/15/65/75/411156575.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 2 248.370 1.575 50 0 BDAALP C[N@@H+](Cc1ccccc1)C[C@]1(O)CCC[NH+](C)C1 ZINC000046087336 411156580 /nfs/dbraw/zinc/15/65/80/411156580.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 2 248.370 1.575 50 0 BDAALP C[NH+](Cc1ccccc1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000046087336 411156581 /nfs/dbraw/zinc/15/65/81/411156581.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 2 248.370 1.575 50 0 BDAALP C[NH+](Cc1ccccc1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000046087336 411156584 /nfs/dbraw/zinc/15/65/84/411156584.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 2 248.370 1.575 50 0 BDAALP Cc1ccc(C[NH2+]C[C@]2(O)CCC[N@@H+](C)C2)o1 ZINC000046087416 411157187 /nfs/dbraw/zinc/15/71/87/411157187.db2.gz QTDCEGXVGAGSBV-CYBMUJFWSA-N 2 2 238.331 1.134 50 0 BDAALP Cc1ccc(C[NH2+]C[C@]2(O)CCC[N@H+](C)C2)o1 ZINC000046087416 411157191 /nfs/dbraw/zinc/15/71/91/411157191.db2.gz QTDCEGXVGAGSBV-CYBMUJFWSA-N 2 2 238.331 1.134 50 0 BDAALP CCC[C@@H](CNc1nc(NC)cc[nH+]1)[NH+](C)C ZINC000534648209 412364039 /nfs/dbraw/zinc/36/40/39/412364039.db2.gz PQRAQSNDCXZBRV-JTQLQIEISA-N 2 2 237.351 1.661 50 0 BDAALP COc1ccc2c(c1)[nH+]c(CC[NH3+])n2C ZINC000011567874 175218412 /nfs/dbraw/zinc/21/84/12/175218412.db2.gz FEHMMHHWZQRIFT-UHFFFAOYSA-N 2 2 205.261 1.083 50 0 BDAALP Cc1nc(NC[C@@H]2CC[C@H](C)[N@H+]2C)cc[nH+]1 ZINC000382105781 490101807 /nfs/dbraw/zinc/10/18/07/490101807.db2.gz IFXBQGZPVQRELJ-ONGXEEELSA-N 2 2 220.320 1.680 50 0 BDAALP Cc1nc(NC[C@@H]2CC[C@H](C)[N@@H+]2C)cc[nH+]1 ZINC000382105781 490101816 /nfs/dbraw/zinc/10/18/16/490101816.db2.gz IFXBQGZPVQRELJ-ONGXEEELSA-N 2 2 220.320 1.680 50 0 BDAALP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccnc2N)CC1 ZINC000072122612 491122399 /nfs/dbraw/zinc/12/23/99/491122399.db2.gz UMDUCUYFCRMHPG-ZDUSSCGKSA-N 2 2 248.374 1.580 50 0 BDAALP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccnc2N)CC1 ZINC000072122612 491122400 /nfs/dbraw/zinc/12/24/00/491122400.db2.gz UMDUCUYFCRMHPG-ZDUSSCGKSA-N 2 2 248.374 1.580 50 0 BDAALP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000002510445 524575565 /nfs/dbraw/zinc/57/55/65/524575565.db2.gz BEMYUVZGJSRRKX-UHFFFAOYSA-N 2 2 219.288 1.964 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H](C)C[C@H]1[NH3+] ZINC000757207484 582559611 /nfs/dbraw/zinc/55/96/11/582559611.db2.gz BIPWZMLEUIJQDR-PELMWDNLSA-N 2 2 244.342 1.869 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1[NH3+] ZINC000757207493 582559776 /nfs/dbraw/zinc/55/97/76/582559776.db2.gz BIPWZMLEUIJQDR-ULSRQLJBSA-N 2 2 244.342 1.869 50 0 BDAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC000952985279 644445240 /nfs/dbraw/zinc/44/52/40/644445240.db2.gz ANIMSMKOMNHZJR-LBPRGKRZSA-N 2 2 230.315 1.847 50 0 BDAALP CC/C=C(\C)C[N@@H+]1CCN2CC[NH+](C)C[C@@H]2C1 ZINC000065375272 712389351 /nfs/dbraw/zinc/38/93/51/712389351.db2.gz VMUOXXHUFBPPIN-BRRGFWCPSA-N 2 2 237.391 1.274 50 0 BDAALP CC/C=C(\C)C[N@H+]1CCN2CC[NH+](C)C[C@@H]2C1 ZINC000065375272 712389352 /nfs/dbraw/zinc/38/93/52/712389352.db2.gz VMUOXXHUFBPPIN-BRRGFWCPSA-N 2 2 237.391 1.274 50 0 BDAALP CC/C=C(\C)C[NH+]1CCN2CC[N@H+](C)C[C@@H]2C1 ZINC000065375272 712389353 /nfs/dbraw/zinc/38/93/53/712389353.db2.gz VMUOXXHUFBPPIN-BRRGFWCPSA-N 2 2 237.391 1.274 50 0 BDAALP CC/C=C(\C)C[NH+]1CCN2CC[N@@H+](C)C[C@@H]2C1 ZINC000065375272 712389354 /nfs/dbraw/zinc/38/93/54/712389354.db2.gz VMUOXXHUFBPPIN-BRRGFWCPSA-N 2 2 237.391 1.274 50 0 BDAALP Cc1[nH]nc2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC001506420061 964493128 /nfs/dbraw/zinc/49/31/28/964493128.db2.gz RZWRXSWRBMGYCF-UHFFFAOYSA-N 2 2 245.330 1.363 50 0 BDAALP Cc1[nH]nc2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC001506420061 964493143 /nfs/dbraw/zinc/49/31/43/964493143.db2.gz RZWRXSWRBMGYCF-UHFFFAOYSA-N 2 2 245.330 1.363 50 0 BDAALP Cc1n[nH]c2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC001506420061 964493150 /nfs/dbraw/zinc/49/31/50/964493150.db2.gz RZWRXSWRBMGYCF-UHFFFAOYSA-N 2 2 245.330 1.363 50 0 BDAALP Cc1n[nH]c2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC001506420061 964493153 /nfs/dbraw/zinc/49/31/53/964493153.db2.gz RZWRXSWRBMGYCF-UHFFFAOYSA-N 2 2 245.330 1.363 50 0 BDAALP c1cn(CC2(C[NH2+][C@@H]3CCCOC3)CC2)c[nH+]1 ZINC000820408715 968473066 /nfs/dbraw/zinc/47/30/66/968473066.db2.gz FLRLGHMLJMGNMK-GFCCVEGCSA-N 2 2 235.331 1.432 50 0 BDAALP CN(C)c1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc[nH+]1 ZINC001506427622 988785668 /nfs/dbraw/zinc/78/56/68/988785668.db2.gz LNZXGSRGIYTFDM-GHMZBOCLSA-N 2 2 249.362 1.437 50 0 BDAALP CC(=O)Nc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000097095616 187327475 /nfs/dbraw/zinc/32/74/75/187327475.db2.gz BKRAUQXIAFVCJH-JTQLQIEISA-N 2 2 235.331 1.424 50 0 BDAALP CC(=O)Nc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000097095616 187327477 /nfs/dbraw/zinc/32/74/77/187327477.db2.gz BKRAUQXIAFVCJH-JTQLQIEISA-N 2 2 235.331 1.424 50 0 BDAALP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[NH3+])o1 ZINC000037712993 178331812 /nfs/dbraw/zinc/33/18/12/178331812.db2.gz CXWSYZAZAKVYKM-UHFFFAOYSA-N 2 2 220.276 1.026 50 0 BDAALP Cc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000004559164 342749058 /nfs/dbraw/zinc/74/90/58/342749058.db2.gz AVADLZSBYLRYPU-UHFFFAOYSA-N 2 2 248.370 1.807 50 0 BDAALP CC[NH+](CC)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000002518431 342722282 /nfs/dbraw/zinc/72/22/82/342722282.db2.gz ZPGIBQNQYWZCOF-UHFFFAOYSA-N 3 2 227.396 1.402 50 0 BDAALP C[NH+]1CC(N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059823430 342869759 /nfs/dbraw/zinc/86/97/59/342869759.db2.gz LUIRRRHTHZWOCZ-UHFFFAOYSA-N 2 2 245.370 1.118 50 0 BDAALP C[C@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000035602162 343299329 /nfs/dbraw/zinc/29/93/29/343299329.db2.gz WIZHUUSXTOOWCZ-HIFRSBDPSA-N 2 2 248.370 1.621 50 0 BDAALP C[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000035602162 343299330 /nfs/dbraw/zinc/29/93/30/343299330.db2.gz WIZHUUSXTOOWCZ-HIFRSBDPSA-N 2 2 248.370 1.621 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C[N@@H+]1C ZINC000685939687 537929649 /nfs/dbraw/zinc/92/96/49/537929649.db2.gz SBOGPHNXAYIKSA-NZEXEKPDSA-N 2 2 238.375 1.482 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C[N@H+]1C ZINC000685939687 537929658 /nfs/dbraw/zinc/92/96/58/537929658.db2.gz SBOGPHNXAYIKSA-NZEXEKPDSA-N 2 2 238.375 1.482 50 0 BDAALP CC(C)[NH+](C[C@]1(O)CCC[N@H+](C)C1)C(C)C ZINC000041123525 191064064 /nfs/dbraw/zinc/06/40/64/191064064.db2.gz ZDDZIJUZCWWYSS-ZDUSSCGKSA-N 2 2 228.380 1.562 50 0 BDAALP CC(C)[NH+](C[C@]1(O)CCC[N@@H+](C)C1)C(C)C ZINC000041123525 191064066 /nfs/dbraw/zinc/06/40/66/191064066.db2.gz ZDDZIJUZCWWYSS-ZDUSSCGKSA-N 2 2 228.380 1.562 50 0 BDAALP C1CCC([N@@H+]2CC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000089818138 538585131 /nfs/dbraw/zinc/58/51/31/538585131.db2.gz HLAQHWSHGUDRIP-ZDUSSCGKSA-N 2 2 238.375 1.772 50 0 BDAALP C1CCC([N@H+]2CC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000089818138 538585140 /nfs/dbraw/zinc/58/51/40/538585140.db2.gz HLAQHWSHGUDRIP-ZDUSSCGKSA-N 2 2 238.375 1.772 50 0 BDAALP Cc1c[nH+]c(-c2cccnc2)n1CC[NH3+] ZINC000169793057 361130324 /nfs/dbraw/zinc/13/03/24/361130324.db2.gz LOTSCRCBMCBBCV-UHFFFAOYSA-N 2 2 202.261 1.212 50 0 BDAALP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCOC3)[nH]c2c1 ZINC000088693796 368382857 /nfs/dbraw/zinc/38/28/57/368382857.db2.gz OISGABZDXHPYKA-NSHDSACASA-N 2 2 245.326 1.874 50 0 BDAALP c1cc2c(cc1C[NH+]1CCOCC1)C[NH2+]CCO2 ZINC000169676636 183368341 /nfs/dbraw/zinc/36/83/41/183368341.db2.gz RUPLLEDOPSQLTB-UHFFFAOYSA-N 2 2 248.326 1.001 50 0 BDAALP c1cn([C@H]2CCC[C@@H]2[NH2+]C2CCOCC2)c[nH+]1 ZINC000037106388 183473410 /nfs/dbraw/zinc/47/34/10/183473410.db2.gz XQLSHRWPTKXEHA-STQMWFEESA-N 2 2 235.331 1.745 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000096663755 384471752 /nfs/dbraw/zinc/47/17/52/384471752.db2.gz PYVXWWICILLOFY-UONOGXRCSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000096663755 384471755 /nfs/dbraw/zinc/47/17/55/384471755.db2.gz PYVXWWICILLOFY-UONOGXRCSA-N 2 2 216.328 1.870 50 0 BDAALP Cn1nccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188400370 384947316 /nfs/dbraw/zinc/94/73/16/384947316.db2.gz BUSJDKFQYOKEJF-CYBMUJFWSA-N 2 2 245.330 1.281 50 0 BDAALP Cn1nccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188400370 384947320 /nfs/dbraw/zinc/94/73/20/384947320.db2.gz BUSJDKFQYOKEJF-CYBMUJFWSA-N 2 2 245.330 1.281 50 0 BDAALP Cn1nccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188400398 384948307 /nfs/dbraw/zinc/94/83/07/384948307.db2.gz BUSJDKFQYOKEJF-ZDUSSCGKSA-N 2 2 245.330 1.281 50 0 BDAALP Cn1nccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188400398 384948314 /nfs/dbraw/zinc/94/83/14/384948314.db2.gz BUSJDKFQYOKEJF-ZDUSSCGKSA-N 2 2 245.330 1.281 50 0 BDAALP Cc1c[nH+]c([C@@H]2CCCO2)n1C1CC[NH2+]CC1 ZINC000257174435 385039990 /nfs/dbraw/zinc/03/99/90/385039990.db2.gz GWQXEFCNPUIEME-LBPRGKRZSA-N 2 2 235.331 1.968 50 0 BDAALP Cc1[nH]ncc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000105454211 387933437 /nfs/dbraw/zinc/93/34/37/387933437.db2.gz NRFOKTKPVIZCIG-UHFFFAOYSA-N 2 2 236.363 1.540 50 0 BDAALP OCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037236380 388239257 /nfs/dbraw/zinc/23/92/57/388239257.db2.gz AIKLWASXLGFWBT-UHFFFAOYSA-N 2 2 235.331 1.022 50 0 BDAALP CC[NH+](CC)CCN[C@H](C)c1[nH+]ccn1C ZINC000070007287 388432580 /nfs/dbraw/zinc/43/25/80/388432580.db2.gz RRBATYMWHDVFTG-LLVKDONJSA-N 2 2 224.352 1.413 50 0 BDAALP [NH3+][C@H](c1ccncc1)[C@H]([NH3+])c1ccncc1 ZINC000022583235 388568731 /nfs/dbraw/zinc/56/87/31/388568731.db2.gz HWXSNBQACUQDTF-VXGBXAGGSA-N 2 2 214.272 1.176 50 0 BDAALP C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000096490567 388820421 /nfs/dbraw/zinc/82/04/21/388820421.db2.gz FJBIXXLBULSNLC-UHFFFAOYSA-N 2 2 230.315 1.800 50 0 BDAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000096490567 388820424 /nfs/dbraw/zinc/82/04/24/388820424.db2.gz FJBIXXLBULSNLC-UHFFFAOYSA-N 2 2 230.315 1.800 50 0 BDAALP [NH3+]CCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000011805321 132320874 /nfs/dbraw/zinc/32/08/74/132320874.db2.gz AYBUIEUDODPVQZ-UHFFFAOYSA-N 2 2 237.322 1.297 50 0 BDAALP [NH3+][C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000065269266 132389559 /nfs/dbraw/zinc/38/95/59/132389559.db2.gz NDUQATOERCLXSQ-LLVKDONJSA-N 2 2 247.346 1.004 50 0 BDAALP CC1CC[NH+](C[C@@H](O)CNc2cccc[nH+]2)CC1 ZINC000096456203 168182151 /nfs/dbraw/zinc/18/21/51/168182151.db2.gz NXGWDFVLZOELLF-ZDUSSCGKSA-N 2 2 249.358 1.586 50 0 BDAALP CC1CC[NH+](C[C@H](O)CNc2cccc[nH+]2)CC1 ZINC000096456202 168183477 /nfs/dbraw/zinc/18/34/77/168183477.db2.gz NXGWDFVLZOELLF-CYBMUJFWSA-N 2 2 249.358 1.586 50 0 BDAALP C[NH2+]CC[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095523863 173353200 /nfs/dbraw/zinc/35/32/00/173353200.db2.gz YFGWSZVFHYJSDP-ZDUSSCGKSA-N 2 2 248.370 1.779 50 0 BDAALP C[NH2+]CC[N@@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095523863 173353201 /nfs/dbraw/zinc/35/32/01/173353201.db2.gz YFGWSZVFHYJSDP-ZDUSSCGKSA-N 2 2 248.370 1.779 50 0 BDAALP COCC1([NH2+][C@H]2CCC[NH2+]C2)CCCC1 ZINC000067697011 174111135 /nfs/dbraw/zinc/11/11/35/174111135.db2.gz BWUHPZNPLZPRRW-NSHDSACASA-N 2 2 212.337 1.287 50 0 BDAALP COc1ccc(F)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000067802744 175124619 /nfs/dbraw/zinc/12/46/19/175124619.db2.gz GAGSABXSNNFMND-UHFFFAOYSA-N 2 2 238.306 1.676 50 0 BDAALP COc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1 ZINC000091876542 175261877 /nfs/dbraw/zinc/26/18/77/175261877.db2.gz YSPFPSOHAWWMHM-CABCVRRESA-N 2 2 246.354 1.864 50 0 BDAALP COc1cccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1 ZINC000091876542 175261878 /nfs/dbraw/zinc/26/18/78/175261878.db2.gz YSPFPSOHAWWMHM-CABCVRRESA-N 2 2 246.354 1.864 50 0 BDAALP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CCC1(F)F ZINC000289844181 177256213 /nfs/dbraw/zinc/25/62/13/177256213.db2.gz PHWTZJBJIRVWTA-JTQLQIEISA-N 2 2 229.274 1.860 50 0 BDAALP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCC1(F)F ZINC000289844181 177256215 /nfs/dbraw/zinc/25/62/15/177256215.db2.gz PHWTZJBJIRVWTA-JTQLQIEISA-N 2 2 229.274 1.860 50 0 BDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(CO)c1 ZINC000534669293 323158725 /nfs/dbraw/zinc/15/87/25/323158725.db2.gz UTYFEYHIMBSBBG-LBPRGKRZSA-N 2 2 245.326 1.554 50 0 BDAALP Cn1c[nH+]cc1-c1cccc2c1CC[NH2+]C2 ZINC000072144238 711115548 /nfs/dbraw/zinc/11/55/48/711115548.db2.gz KYQLWBDTROQGAV-UHFFFAOYSA-N 2 2 213.284 1.733 50 0 BDAALP C[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000035602159 343299393 /nfs/dbraw/zinc/29/93/93/343299393.db2.gz WIZHUUSXTOOWCZ-DZGCQCFKSA-N 2 2 248.370 1.621 50 0 BDAALP C[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000035602159 343299394 /nfs/dbraw/zinc/29/93/94/343299394.db2.gz WIZHUUSXTOOWCZ-DZGCQCFKSA-N 2 2 248.370 1.621 50 0 BDAALP C([C@H]1CSCCC[NH2+]1)[NH+]1CCCCC1 ZINC000075172952 187277788 /nfs/dbraw/zinc/27/77/88/187277788.db2.gz SDPAUUUOUZICEK-NSHDSACASA-N 2 2 214.378 1.567 50 0 BDAALP Cc1[nH+]c[nH]c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299770458 180118363 /nfs/dbraw/zinc/11/83/63/180118363.db2.gz VUYUTJUDXXEZPY-NEPJUHHUSA-N 2 2 234.347 1.292 50 0 BDAALP c1cn(Cc2cscn2)c(C2CC[NH2+]CC2)[nH+]1 ZINC000096032252 183472923 /nfs/dbraw/zinc/47/29/23/183472923.db2.gz KNMNYNDEQVNTEP-UHFFFAOYSA-N 2 2 248.355 1.855 50 0 BDAALP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000309573765 384028291 /nfs/dbraw/zinc/02/82/91/384028291.db2.gz OICZKMBJCFDHAR-XQQFMLRXSA-N 2 2 226.364 1.485 50 0 BDAALP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000309573765 384028300 /nfs/dbraw/zinc/02/83/00/384028300.db2.gz OICZKMBJCFDHAR-XQQFMLRXSA-N 2 2 226.364 1.485 50 0 BDAALP C[C@@H]([NH2+]CC[NH3+])c1cccc(F)c1F ZINC000235193959 384245158 /nfs/dbraw/zinc/24/51/58/384245158.db2.gz ZLBNPZORIFTPMG-SSDOTTSWSA-N 2 2 200.232 1.574 50 0 BDAALP CC[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000075772303 384335743 /nfs/dbraw/zinc/33/57/43/384335743.db2.gz GRAAOXUBCOHRGS-KBPBESRZSA-N 2 2 234.343 1.625 50 0 BDAALP CC[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000075772303 384335747 /nfs/dbraw/zinc/33/57/47/384335747.db2.gz GRAAOXUBCOHRGS-KBPBESRZSA-N 2 2 234.343 1.625 50 0 BDAALP CCc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1 ZINC000019370640 384519677 /nfs/dbraw/zinc/51/96/77/384519677.db2.gz LVSVHSNVCDDROX-LBPRGKRZSA-N 2 2 236.359 1.309 50 0 BDAALP c1ccc(C[N@@H+]2CCOC[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC000169676288 385416790 /nfs/dbraw/zinc/41/67/90/385416790.db2.gz VZTGACHYTPOBRI-HUUCEWRRSA-N 2 2 246.354 1.497 50 0 BDAALP c1ccc(C[N@H+]2CCOC[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC000169676288 385416795 /nfs/dbraw/zinc/41/67/95/385416795.db2.gz VZTGACHYTPOBRI-HUUCEWRRSA-N 2 2 246.354 1.497 50 0 BDAALP Cn1cc[nH+]c1N1CC[NH+](Cc2ccco2)CC1 ZINC000575606066 387392110 /nfs/dbraw/zinc/39/21/10/387392110.db2.gz APPAORRKJFDGPT-UHFFFAOYSA-N 2 2 246.314 1.335 50 0 BDAALP CO[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000308399174 388438072 /nfs/dbraw/zinc/43/80/72/388438072.db2.gz UYWLCTIRLWUZQC-RYUDHWBXSA-N 2 2 235.331 1.430 50 0 BDAALP c1ccc(NCCC[NH+]2CCOCC2)[nH+]c1 ZINC000037382415 388677176 /nfs/dbraw/zinc/67/71/76/388677176.db2.gz BOCDYDPRUSDTNV-UHFFFAOYSA-N 2 2 221.304 1.216 50 0 BDAALP CCc1[nH+]ccn1CCNc1nc(N)[nH+]cc1C ZINC000091587048 172025828 /nfs/dbraw/zinc/02/58/28/172025828.db2.gz ZEVMRSQZFODPMD-UHFFFAOYSA-N 2 2 246.318 1.238 50 0 BDAALP COc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000038539629 175259210 /nfs/dbraw/zinc/25/92/10/175259210.db2.gz ZMINKSKHTHKJES-GFCCVEGCSA-N 2 2 220.316 1.618 50 0 BDAALP COc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000038539629 175259211 /nfs/dbraw/zinc/25/92/11/175259211.db2.gz ZMINKSKHTHKJES-GFCCVEGCSA-N 2 2 220.316 1.618 50 0 BDAALP CCc1noc(CC[NH2+][C@H](C)Cn2cc[nH+]c2)n1 ZINC000670456267 487509172 /nfs/dbraw/zinc/50/91/72/487509172.db2.gz MMTDYEZFFPPAAX-SNVBAGLBSA-N 2 2 249.318 1.049 50 0 BDAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc[nH]n1 ZINC000284124476 490303044 /nfs/dbraw/zinc/30/30/44/490303044.db2.gz UKIFFMRSCJVNHT-UHFFFAOYSA-N 2 2 219.292 1.128 50 0 BDAALP C[N@H+](CCCn1cc[nH+]c1)Cc1cc[nH]n1 ZINC000284124476 490303037 /nfs/dbraw/zinc/30/30/37/490303037.db2.gz UKIFFMRSCJVNHT-UHFFFAOYSA-N 2 2 219.292 1.128 50 0 BDAALP Nc1cc(-c2cncnc2[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000077010718 490326733 /nfs/dbraw/zinc/32/67/33/490326733.db2.gz XRFGVGPSSBMILT-SNVBAGLBSA-N 2 2 241.298 1.198 50 0 BDAALP Nc1nc(N2CCCCC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244763868 527559724 /nfs/dbraw/zinc/55/97/24/527559724.db2.gz OWWGHKGNSZJSMF-AOOOYVTPSA-N 2 2 247.346 1.254 50 0 BDAALP CC[N@@H+]1CCC[C@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000046087894 583151144 /nfs/dbraw/zinc/15/11/44/583151144.db2.gz FCXVRVLSWBODOU-AWEZNQCLSA-N 2 2 249.358 1.018 50 0 BDAALP CC[N@H+]1CCC[C@](O)(C[NH2+]Cc2ccncc2)C1 ZINC000046087894 583151146 /nfs/dbraw/zinc/15/11/46/583151146.db2.gz FCXVRVLSWBODOU-AWEZNQCLSA-N 2 2 249.358 1.018 50 0 BDAALP COCCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000219604319 963874786 /nfs/dbraw/zinc/87/47/86/963874786.db2.gz ZRAOYHYZEUVYES-KGLIPLIRSA-N 2 2 234.343 1.450 50 0 BDAALP COCCC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000219604319 963874793 /nfs/dbraw/zinc/87/47/93/963874793.db2.gz ZRAOYHYZEUVYES-KGLIPLIRSA-N 2 2 234.343 1.450 50 0 BDAALP Cn1c[nH+]cc1-c1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000952883974 974061794 /nfs/dbraw/zinc/06/17/94/974061794.db2.gz USCCCGVWRPTIBD-CQSZACIVSA-N 2 2 243.310 1.748 50 0 BDAALP CCOc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000019795685 342958365 /nfs/dbraw/zinc/95/83/65/342958365.db2.gz AMGSLUFNOJSTBN-LBPRGKRZSA-N 2 2 208.305 1.647 50 0 BDAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022029479 343037052 /nfs/dbraw/zinc/03/70/52/343037052.db2.gz LAXHKLZXVYCQDQ-HUUCEWRRSA-N 2 2 248.370 1.794 50 0 BDAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022029479 343037054 /nfs/dbraw/zinc/03/70/54/343037054.db2.gz LAXHKLZXVYCQDQ-HUUCEWRRSA-N 2 2 248.370 1.794 50 0 BDAALP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000096477263 179196992 /nfs/dbraw/zinc/19/69/92/179196992.db2.gz GSYIJRXEHAVPNJ-JSGCOSHPSA-N 2 2 236.359 1.568 50 0 BDAALP c1csc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126769 347409003 /nfs/dbraw/zinc/40/90/03/347409003.db2.gz HBZNVKZQEXDYSA-UHFFFAOYSA-N 2 2 210.346 1.934 50 0 BDAALP Cc1nn(C)c(Cl)c1C[NH2+]CCC[NH+](C)C ZINC000058179147 180350782 /nfs/dbraw/zinc/35/07/82/180350782.db2.gz GFQWYWZJEUOXMX-UHFFFAOYSA-N 2 2 244.770 1.423 50 0 BDAALP C[NH2+]Cc1ccc(C[NH+]2CCOCC2)s1 ZINC000016942932 188107123 /nfs/dbraw/zinc/10/71/23/188107123.db2.gz LJPRPFHZPNCEIQ-UHFFFAOYSA-N 2 2 226.345 1.300 50 0 BDAALP Cc1[nH+]c[nH]c1CN(C)C[C@@H]1CCCC[N@@H+]1C ZINC000584894634 369042213 /nfs/dbraw/zinc/04/22/13/369042213.db2.gz QAKMYEJJYXBMQD-LBPRGKRZSA-N 2 2 236.363 1.634 50 0 BDAALP Cc1[nH+]c[nH]c1CN(C)C[C@@H]1CCCC[N@H+]1C ZINC000584894634 369042217 /nfs/dbraw/zinc/04/22/17/369042217.db2.gz QAKMYEJJYXBMQD-LBPRGKRZSA-N 2 2 236.363 1.634 50 0 BDAALP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000000181970 383840850 /nfs/dbraw/zinc/84/08/50/383840850.db2.gz NFLLYLNCPYLCOH-UHFFFAOYSA-N 3 2 227.396 1.258 50 0 BDAALP C[NH+](C)CCC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC000004342927 384056425 /nfs/dbraw/zinc/05/64/25/384056425.db2.gz XRHMZCPDNZTCHO-OLZOCXBDSA-N 2 2 238.375 1.772 50 0 BDAALP C[NH+](C)CCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC000004342927 384056430 /nfs/dbraw/zinc/05/64/30/384056430.db2.gz XRHMZCPDNZTCHO-OLZOCXBDSA-N 2 2 238.375 1.772 50 0 BDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccn1C ZINC000050595824 384100858 /nfs/dbraw/zinc/10/08/58/384100858.db2.gz PQLRFRVKXVBUIQ-LLVKDONJSA-N 2 2 218.304 1.400 50 0 BDAALP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccccc2)C1 ZINC000072267029 384204834 /nfs/dbraw/zinc/20/48/34/384204834.db2.gz RCHUWSZENOUOPP-ZDUSSCGKSA-N 2 2 222.307 1.949 50 0 BDAALP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000072267029 384204839 /nfs/dbraw/zinc/20/48/39/384204839.db2.gz RCHUWSZENOUOPP-ZDUSSCGKSA-N 2 2 222.307 1.949 50 0 BDAALP Fc1ccccc1[C@@H]1[NH2+]CC[C@H]2[NH+]=CN[C@H]21 ZINC000012375429 384317050 /nfs/dbraw/zinc/31/70/50/384317050.db2.gz CUGLGYBRHHCWRK-GRYCIOLGSA-N 2 2 219.263 1.229 50 0 BDAALP C[NH+](C)CC[NH2+]CCCOc1ccccc1 ZINC000020418901 384617349 /nfs/dbraw/zinc/61/73/49/384617349.db2.gz QSOMBQDKMANQNB-UHFFFAOYSA-N 2 2 222.332 1.607 50 0 BDAALP Cc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)c(C)[nH+]1 ZINC000336726922 385942774 /nfs/dbraw/zinc/94/27/74/385942774.db2.gz VPOGSZGSGVBMSL-MRVPVSSYSA-N 2 2 243.257 1.619 50 0 BDAALP C([C@H]1CCC[N@H+]1C[C@H]1CCOC1)[NH+]1CCCC1 ZINC000222059528 386032400 /nfs/dbraw/zinc/03/24/00/386032400.db2.gz AKKCFUTZPKSJLU-ZIAGYGMSSA-N 2 2 238.375 1.583 50 0 BDAALP C([C@H]1CCC[N@@H+]1C[C@H]1CCOC1)[NH+]1CCCC1 ZINC000222059528 386032406 /nfs/dbraw/zinc/03/24/06/386032406.db2.gz AKKCFUTZPKSJLU-ZIAGYGMSSA-N 2 2 238.375 1.583 50 0 BDAALP CCCCc1[nH]c(CN2CC[C@H]3C[NH2+]C[C@H]32)c[nH+]1 ZINC000426405432 387564414 /nfs/dbraw/zinc/56/44/14/387564414.db2.gz BILOBXKVYFUPKZ-WCQYABFASA-N 2 2 248.374 1.546 50 0 BDAALP CCCCc1[nH]cc(CN2CC[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000426405432 387564416 /nfs/dbraw/zinc/56/44/16/387564416.db2.gz BILOBXKVYFUPKZ-WCQYABFASA-N 2 2 248.374 1.546 50 0 BDAALP CC[NH+](CC)CCN[C@@H](C)c1[nH+]ccn1C ZINC000070007285 388432660 /nfs/dbraw/zinc/43/26/60/388432660.db2.gz RRBATYMWHDVFTG-NSHDSACASA-N 2 2 224.352 1.413 50 0 BDAALP COc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC000014807526 132322648 /nfs/dbraw/zinc/32/26/48/132322648.db2.gz JVNBISZXVWTYML-UHFFFAOYSA-N 2 2 207.277 1.018 50 0 BDAALP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000037484190 170016808 /nfs/dbraw/zinc/01/68/08/170016808.db2.gz POVQSJUDYBHBQB-LLVKDONJSA-N 2 2 208.305 1.711 50 0 BDAALP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000037484190 170016810 /nfs/dbraw/zinc/01/68/10/170016810.db2.gz POVQSJUDYBHBQB-LLVKDONJSA-N 2 2 208.305 1.711 50 0 BDAALP CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000022028687 170168283 /nfs/dbraw/zinc/16/82/83/170168283.db2.gz ZSIUSRJKSLXIJH-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022028687 170168284 /nfs/dbraw/zinc/16/82/84/170168284.db2.gz ZSIUSRJKSLXIJH-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP COCC[N@H+](CCC[NH3+])Cc1ccco1 ZINC000032919812 174291293 /nfs/dbraw/zinc/29/12/93/174291293.db2.gz HTQPJHNJPXWURM-UHFFFAOYSA-N 2 2 212.293 1.077 50 0 BDAALP COCC[N@@H+](CCC[NH3+])Cc1ccco1 ZINC000032919812 174291295 /nfs/dbraw/zinc/29/12/95/174291295.db2.gz HTQPJHNJPXWURM-UHFFFAOYSA-N 2 2 212.293 1.077 50 0 BDAALP COCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003063 174304791 /nfs/dbraw/zinc/30/47/91/174304791.db2.gz KMZZDWJGBPKZMS-UHFFFAOYSA-N 2 2 226.364 1.583 50 0 BDAALP COc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000088604456 175178362 /nfs/dbraw/zinc/17/83/62/175178362.db2.gz MQRPNOSBMHBKSJ-CYBMUJFWSA-N 2 2 220.316 1.791 50 0 BDAALP CC[N@@H+]1CCC[C@@H]1CN1CCc2[nH+]c(C)[nH]c2C1 ZINC000823110183 968539994 /nfs/dbraw/zinc/53/99/94/968539994.db2.gz IDOLDFZDUKPLDI-GFCCVEGCSA-N 2 2 248.374 1.561 50 0 BDAALP CC[N@H+]1CCC[C@@H]1CN1CCc2[nH+]c(C)[nH]c2C1 ZINC000823110183 968540004 /nfs/dbraw/zinc/54/00/04/968540004.db2.gz IDOLDFZDUKPLDI-GFCCVEGCSA-N 2 2 248.374 1.561 50 0 BDAALP [NH3+][C@H](CCn1cc[nH+]c1)c1ccccc1 ZINC000004343554 342746968 /nfs/dbraw/zinc/74/69/68/342746968.db2.gz PCQUTABEOMKBTK-GFCCVEGCSA-N 2 2 201.273 1.973 50 0 BDAALP Fc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000019735663 342955361 /nfs/dbraw/zinc/95/53/61/342955361.db2.gz GUVOCHQLYVTSTO-UHFFFAOYSA-N 2 2 208.280 1.621 50 0 BDAALP Fc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000019735663 342955363 /nfs/dbraw/zinc/95/53/63/342955363.db2.gz GUVOCHQLYVTSTO-UHFFFAOYSA-N 2 2 208.280 1.621 50 0 BDAALP [NH3+][C@@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000019958076 342964905 /nfs/dbraw/zinc/96/49/05/342964905.db2.gz IVUZMSKFADOAKT-ZDUSSCGKSA-N 2 2 220.316 1.409 50 0 BDAALP c1cn(-c2ccccc2C[NH2+][C@@H]2CCOC2)c[nH+]1 ZINC000088688229 343276242 /nfs/dbraw/zinc/27/62/42/343276242.db2.gz XFDLOLSRHSYISQ-CYBMUJFWSA-N 2 2 243.310 1.751 50 0 BDAALP CSc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 ZINC000034938066 343281200 /nfs/dbraw/zinc/28/12/00/343281200.db2.gz DCASTUBNJWSRPB-NSHDSACASA-N 2 2 210.346 1.970 50 0 BDAALP Cc1cccnc1C[N@@H+]1CCC[NH2+]CC1 ZINC000022926566 179372317 /nfs/dbraw/zinc/37/23/17/179372317.db2.gz YYUIVFPKJXXEAG-UHFFFAOYSA-N 2 2 205.305 1.185 50 0 BDAALP Cc1cccnc1C[N@H+]1CCC[NH2+]CC1 ZINC000022926566 179372320 /nfs/dbraw/zinc/37/23/20/179372320.db2.gz YYUIVFPKJXXEAG-UHFFFAOYSA-N 2 2 205.305 1.185 50 0 BDAALP Cc1[nH+]c2cc(C[NH2+][C@@H]3CCOC3)ccc2n1C ZINC000584898745 369045252 /nfs/dbraw/zinc/04/52/52/369045252.db2.gz WUJVFEIQBGHDKW-GFCCVEGCSA-N 2 2 245.326 1.760 50 0 BDAALP C[N@@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000040672742 373590609 /nfs/dbraw/zinc/59/06/09/373590609.db2.gz WMTDYWOKJRZSIB-LLVKDONJSA-N 2 2 214.378 1.566 50 0 BDAALP C[N@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000040672742 373590614 /nfs/dbraw/zinc/59/06/14/373590614.db2.gz WMTDYWOKJRZSIB-LLVKDONJSA-N 2 2 214.378 1.566 50 0 BDAALP OC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000065396104 183115881 /nfs/dbraw/zinc/11/58/81/183115881.db2.gz WZKKVDSCNWIRCX-ZDUSSCGKSA-N 2 2 226.364 1.365 50 0 BDAALP OC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCCC1 ZINC000065396104 183115882 /nfs/dbraw/zinc/11/58/82/183115882.db2.gz WZKKVDSCNWIRCX-ZDUSSCGKSA-N 2 2 226.364 1.365 50 0 BDAALP CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000003683575 169186430 /nfs/dbraw/zinc/18/64/30/169186430.db2.gz SMSPMCMDIXHWAP-UHFFFAOYSA-N 2 2 212.337 1.193 50 0 BDAALP CCCc1nc(N2CC[C@@H]([NH+](C)C)C2)cc(C)[nH+]1 ZINC000065508073 169586752 /nfs/dbraw/zinc/58/67/52/169586752.db2.gz VOHIJMVYNQULDM-GFCCVEGCSA-N 2 2 248.374 1.878 50 0 BDAALP c1c[nH+]c(N2CCCC2)c(NC2CC[NH2+]CC2)c1 ZINC000038040925 384060123 /nfs/dbraw/zinc/06/01/23/384060123.db2.gz BJUUMCHZSGSVBG-UHFFFAOYSA-N 2 2 246.358 1.846 50 0 BDAALP [NH3+]C[C@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000020398407 397963680 /nfs/dbraw/zinc/96/36/80/397963680.db2.gz GQVFSFGUACRUIX-ZDUSSCGKSA-N 2 2 204.317 1.652 50 0 BDAALP CN(C[C@H]1CCC[N@H+](C)C1)c1cccc[nH+]1 ZINC000098013105 173043060 /nfs/dbraw/zinc/04/30/60/173043060.db2.gz IYEUCLZXFMVMTO-LBPRGKRZSA-N 2 2 219.332 1.860 50 0 BDAALP CN(C[C@H]1CCC[N@@H+](C)C1)c1cccc[nH+]1 ZINC000098013105 173043062 /nfs/dbraw/zinc/04/30/62/173043062.db2.gz IYEUCLZXFMVMTO-LBPRGKRZSA-N 2 2 219.332 1.860 50 0 BDAALP CCc1nnc(C[N@H+](C)CCc2[nH+]ccn2C)o1 ZINC000670452005 487503977 /nfs/dbraw/zinc/50/39/77/487503977.db2.gz FHRVJDNQBHFAJH-UHFFFAOYSA-N 2 2 249.318 1.040 50 0 BDAALP CCc1nnc(C[N@@H+](C)CCc2[nH+]ccn2C)o1 ZINC000670452005 487503980 /nfs/dbraw/zinc/50/39/80/487503980.db2.gz FHRVJDNQBHFAJH-UHFFFAOYSA-N 2 2 249.318 1.040 50 0 BDAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ncnn1CC ZINC000952977135 644449708 /nfs/dbraw/zinc/44/97/08/644449708.db2.gz WVNMMEKJFXREEG-LLVKDONJSA-N 2 2 248.334 1.063 50 0 BDAALP c1cn(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC001506421016 988777398 /nfs/dbraw/zinc/77/73/98/988777398.db2.gz DCLLYSBWIDWBLX-CQSZACIVSA-N 3 2 248.374 1.349 50 0 BDAALP c1cn(CCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC001506421016 988777410 /nfs/dbraw/zinc/77/74/10/988777410.db2.gz DCLLYSBWIDWBLX-CQSZACIVSA-N 3 2 248.374 1.349 50 0 BDAALP Cc1ccc2[nH]c(N3CC[NH2+]CC3)[nH+]c2c1 ZINC000008701157 342802833 /nfs/dbraw/zinc/80/28/33/342802833.db2.gz LRMBCDPHCKDMHP-UHFFFAOYSA-N 2 2 216.288 1.281 50 0 BDAALP C[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000016189029 342907869 /nfs/dbraw/zinc/90/78/69/342907869.db2.gz SCFPQNGHMLSYHX-UHFFFAOYSA-N 2 2 205.305 1.265 50 0 BDAALP Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000020080885 342968391 /nfs/dbraw/zinc/96/83/91/342968391.db2.gz IXRSALZMDNNZTN-UHFFFAOYSA-N 2 2 204.317 1.790 50 0 BDAALP Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000020080885 342968393 /nfs/dbraw/zinc/96/83/93/342968393.db2.gz IXRSALZMDNNZTN-UHFFFAOYSA-N 2 2 204.317 1.790 50 0 BDAALP CC(C)[C@@H](C(=O)Nc1cc[nH+]cc1O)[NH+](C)C ZINC000195557076 347641169 /nfs/dbraw/zinc/64/11/69/347641169.db2.gz HQADLSLUZSXRKW-NSHDSACASA-N 2 2 237.303 1.312 50 0 BDAALP COCCCC[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000170089059 361391000 /nfs/dbraw/zinc/39/10/00/361391000.db2.gz WBIOMKXTSKOHPQ-GFCCVEGCSA-N 2 2 237.347 1.523 50 0 BDAALP [NH3+]CC[NH+]1CCC(c2cccs2)CC1 ZINC000057496361 181392190 /nfs/dbraw/zinc/39/21/90/181392190.db2.gz HDDIXTKCKCWUGM-UHFFFAOYSA-N 2 2 210.346 1.886 50 0 BDAALP Cc1ccc(NC(=O)C2([NH3+])CC2)c(C)[nH+]1 ZINC000087152346 368888989 /nfs/dbraw/zinc/88/89/89/368888989.db2.gz HDXUBGNNIUZQEO-UHFFFAOYSA-N 2 2 205.261 1.128 50 0 BDAALP OCC[NH2+]CC[NH2+]Cc1cccc2ccccc21 ZINC000023469471 183078178 /nfs/dbraw/zinc/07/81/78/183078178.db2.gz QMTFLSJRQQJKGK-UHFFFAOYSA-N 2 2 244.338 1.511 50 0 BDAALP CCCSCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000067725785 169339012 /nfs/dbraw/zinc/33/90/12/169339012.db2.gz GLKZIKPDZSREDR-JTQLQIEISA-N 2 2 202.367 1.471 50 0 BDAALP c1cn(CCC[NH2+]Cc2cccnc2)c[nH+]1 ZINC000039170030 384109522 /nfs/dbraw/zinc/10/95/22/384109522.db2.gz SVVCMJGGHPTQIV-UHFFFAOYSA-N 2 2 216.288 1.458 50 0 BDAALP CCC[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000092066131 384161492 /nfs/dbraw/zinc/16/14/92/384161492.db2.gz XSANLIXFXYZWHP-AAEUAGOBSA-N 2 2 236.363 1.572 50 0 BDAALP CCC[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000092066131 384161494 /nfs/dbraw/zinc/16/14/94/384161494.db2.gz XSANLIXFXYZWHP-AAEUAGOBSA-N 2 2 236.363 1.572 50 0 BDAALP Nc1ccc(-c2cccc3c2CC[NH2+]C3)c[nH+]1 ZINC000071498693 384169793 /nfs/dbraw/zinc/16/97/93/384169793.db2.gz NWALQBLCXGQXFL-UHFFFAOYSA-N 2 2 225.295 1.977 50 0 BDAALP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000019843368 384544707 /nfs/dbraw/zinc/54/47/07/384544707.db2.gz DKWRQRNCULDABS-CYBMUJFWSA-N 2 2 204.317 2.000 50 0 BDAALP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000019843368 384544709 /nfs/dbraw/zinc/54/47/09/384544709.db2.gz DKWRQRNCULDABS-CYBMUJFWSA-N 2 2 204.317 2.000 50 0 BDAALP C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000022028725 384724723 /nfs/dbraw/zinc/72/47/23/384724723.db2.gz WDVNZOBYHPYZIT-AWEZNQCLSA-N 2 2 218.344 1.913 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000250650911 385603598 /nfs/dbraw/zinc/60/35/98/385603598.db2.gz PYVXWWICILLOFY-KGLIPLIRSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000250650911 385603605 /nfs/dbraw/zinc/60/36/05/385603605.db2.gz PYVXWWICILLOFY-KGLIPLIRSA-N 2 2 216.328 1.870 50 0 BDAALP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000070093489 388433805 /nfs/dbraw/zinc/43/38/05/388433805.db2.gz KUOKCJVYBYXUHC-LBPRGKRZSA-N 2 2 249.358 1.522 50 0 BDAALP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000070093489 388433806 /nfs/dbraw/zinc/43/38/06/388433806.db2.gz KUOKCJVYBYXUHC-LBPRGKRZSA-N 2 2 249.358 1.522 50 0 BDAALP [NH3+][C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000065269264 132389531 /nfs/dbraw/zinc/38/95/31/132389531.db2.gz NDUQATOERCLXSQ-NSHDSACASA-N 2 2 247.346 1.004 50 0 BDAALP Cc1[nH+]cn(CC[NH2+][C@H](C)CC[NH+](C)C)c1C ZINC000670470922 487529511 /nfs/dbraw/zinc/52/95/11/487529511.db2.gz FDSZPMKHBARVCR-LLVKDONJSA-N 3 2 238.379 1.430 50 0 BDAALP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000090648008 171365180 /nfs/dbraw/zinc/36/51/80/171365180.db2.gz RZIAIXBWOVJRFH-YNEHKIRRSA-N 2 2 225.380 1.010 50 0 BDAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccoc3)C2)CC1 ZINC000097729753 173094607 /nfs/dbraw/zinc/09/46/07/173094607.db2.gz KAEXZCMYGQYCTL-AWEZNQCLSA-N 2 2 249.358 1.101 50 0 BDAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000097729753 173094610 /nfs/dbraw/zinc/09/46/10/173094610.db2.gz KAEXZCMYGQYCTL-AWEZNQCLSA-N 2 2 249.358 1.101 50 0 BDAALP C[NH2+]CC[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095523862 173352581 /nfs/dbraw/zinc/35/25/81/173352581.db2.gz YFGWSZVFHYJSDP-CYBMUJFWSA-N 2 2 248.370 1.779 50 0 BDAALP C[NH2+]CC[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095523862 173352583 /nfs/dbraw/zinc/35/25/83/173352583.db2.gz YFGWSZVFHYJSDP-CYBMUJFWSA-N 2 2 248.370 1.779 50 0 BDAALP COc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126722 175106622 /nfs/dbraw/zinc/10/66/22/175106622.db2.gz BFMSGDKOPLEOOB-UHFFFAOYSA-N 2 2 234.343 1.881 50 0 BDAALP COc1cccc(Cn2c[nH+]c(CC[NH3+])c2)c1 ZINC000071535305 175273346 /nfs/dbraw/zinc/27/33/46/175273346.db2.gz VAXPJCDLMOZXMV-UHFFFAOYSA-N 2 2 231.299 1.441 50 0 BDAALP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221150539 527635967 /nfs/dbraw/zinc/63/59/67/527635967.db2.gz RUTJLJZZYSBXLH-LBPRGKRZSA-N 2 2 236.363 1.221 50 0 BDAALP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221150539 527635972 /nfs/dbraw/zinc/63/59/72/527635972.db2.gz RUTJLJZZYSBXLH-LBPRGKRZSA-N 2 2 236.363 1.221 50 0 BDAALP O[C@@H]1CC[N@H+](Cc2c[nH+]cn2C2CCCCC2)C1 ZINC000244774010 527674931 /nfs/dbraw/zinc/67/49/31/527674931.db2.gz PMKURNMEIBWRAG-CQSZACIVSA-N 2 2 249.358 1.955 50 0 BDAALP O[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C2CCCCC2)C1 ZINC000244774010 527674934 /nfs/dbraw/zinc/67/49/34/527674934.db2.gz PMKURNMEIBWRAG-CQSZACIVSA-N 2 2 249.358 1.955 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CCC[C@@H]1[NH3+] ZINC000757213064 586439590 /nfs/dbraw/zinc/43/95/90/586439590.db2.gz NPBPLGPEEMOYOP-GXFFZTMASA-N 2 2 230.315 1.623 50 0 BDAALP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071372323 592266140 /nfs/dbraw/zinc/26/61/40/592266140.db2.gz LKKXFOJWYTZUTH-DGCLKSJQSA-N 2 2 220.316 1.235 50 0 BDAALP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071372323 592266145 /nfs/dbraw/zinc/26/61/45/592266145.db2.gz LKKXFOJWYTZUTH-DGCLKSJQSA-N 2 2 220.316 1.235 50 0 BDAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ncnn1CC ZINC000952977157 644448372 /nfs/dbraw/zinc/44/83/72/644448372.db2.gz WVNMMEKJFXREEG-NSHDSACASA-N 2 2 248.334 1.063 50 0 BDAALP COCC1CC[NH+](CCc2[nH+]ccn2C)CC1 ZINC000824372292 968595391 /nfs/dbraw/zinc/59/53/91/968595391.db2.gz VMXMGDZDEXNMIA-UHFFFAOYSA-N 2 2 237.347 1.321 50 0 BDAALP [NH3+][C@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000238677252 983183452 /nfs/dbraw/zinc/18/34/52/983183452.db2.gz OHGKAYHTVKZZGJ-VIFPVBQESA-N 2 2 232.418 1.258 50 0 BDAALP [NH3+][C@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000238677252 983183456 /nfs/dbraw/zinc/18/34/56/983183456.db2.gz OHGKAYHTVKZZGJ-VIFPVBQESA-N 2 2 232.418 1.258 50 0 BDAALP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC000072109527 398177638 /nfs/dbraw/zinc/17/76/38/398177638.db2.gz JVKNKFDGLBRQPB-KBPBESRZSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC000072109527 398177641 /nfs/dbraw/zinc/17/76/41/398177641.db2.gz JVKNKFDGLBRQPB-KBPBESRZSA-N 2 2 216.328 1.870 50 0 BDAALP COc1cc(C(=[NH2+])NO)ccc1-n1c[nH+]c(C)c1 ZINC000072233458 344519042 /nfs/dbraw/zinc/51/90/42/344519042.db2.gz HIBXJFZYGJNETC-UHFFFAOYSA-N 2 2 246.270 1.493 50 0 BDAALP C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000219858949 490580472 /nfs/dbraw/zinc/58/04/72/490580472.db2.gz IKRARZMUTGSISN-CABZTGNLSA-N 2 2 239.388 1.881 50 0 BDAALP C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000219858949 490580478 /nfs/dbraw/zinc/58/04/78/490580478.db2.gz IKRARZMUTGSISN-CABZTGNLSA-N 2 2 239.388 1.881 50 0 BDAALP c1cn(Cc2cccc(Cn3cc[nH+]c3)n2)c[nH+]1 ZINC000000968511 350962726 /nfs/dbraw/zinc/96/27/26/350962726.db2.gz PXSZNVYELYSGGY-UHFFFAOYSA-N 2 2 239.282 1.571 50 0 BDAALP Cn1cc[nH+]c1C[C@@H]([NH3+])c1ccccc1 ZINC000020442309 180751197 /nfs/dbraw/zinc/75/11/97/180751197.db2.gz FCQJZGCFXNHCHP-LLVKDONJSA-N 2 2 201.273 1.663 50 0 BDAALP CC(C)[NH+]1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008733382 188104312 /nfs/dbraw/zinc/10/43/12/188104312.db2.gz SQIJZWSMTZEZOQ-UHFFFAOYSA-N 2 2 234.347 1.255 50 0 biogenic BDAALP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCNc1cccnc1 ZINC000067725161 188129499 /nfs/dbraw/zinc/12/94/99/188129499.db2.gz KXPYRLJNTZKEHN-LBPRGKRZSA-N 2 2 234.347 1.224 50 0 BDAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC000035515140 357992043 /nfs/dbraw/zinc/99/20/43/357992043.db2.gz LAXHKLZXVYCQDQ-GJZGRUSLSA-N 2 2 248.370 1.794 50 0 BDAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC000035515140 357992047 /nfs/dbraw/zinc/99/20/47/357992047.db2.gz LAXHKLZXVYCQDQ-GJZGRUSLSA-N 2 2 248.370 1.794 50 0 BDAALP C[NH2+]CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000200482804 368398295 /nfs/dbraw/zinc/39/82/95/368398295.db2.gz HBOJWAYLSJLULG-UHFFFAOYSA-N 2 2 248.370 1.887 50 0 in-vitro BDAALP c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000114291963 368386743 /nfs/dbraw/zinc/38/67/43/368386743.db2.gz IGEZHWRGYWYXNS-IAZYJMLFSA-N 2 2 204.273 1.743 50 0 BDAALP c1c[nH+]c(CN2CCC[N@@H+](C3CCCC3)CC2)[nH]1 ZINC000077540540 183325725 /nfs/dbraw/zinc/32/57/25/183325725.db2.gz MZKBIRMRKVRLMH-UHFFFAOYSA-N 2 2 248.374 1.860 50 0 BDAALP c1c[nH+]c(CN2CCC[N@H+](C3CCCC3)CC2)[nH]1 ZINC000077540540 183325728 /nfs/dbraw/zinc/32/57/28/183325728.db2.gz MZKBIRMRKVRLMH-UHFFFAOYSA-N 2 2 248.374 1.860 50 0 BDAALP c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000255991788 183392733 /nfs/dbraw/zinc/39/27/33/183392733.db2.gz ODYLTZRECSDWCJ-GJZGRUSLSA-N 2 2 230.355 1.913 50 0 BDAALP c1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000255991788 183392736 /nfs/dbraw/zinc/39/27/36/183392736.db2.gz ODYLTZRECSDWCJ-GJZGRUSLSA-N 2 2 230.355 1.913 50 0 BDAALP CC(C)n1cc[nH+]c1CN1CCC[NH2+]CC1 ZINC000068587387 383999391 /nfs/dbraw/zinc/99/93/91/383999391.db2.gz GWUOYWNYDCVREZ-UHFFFAOYSA-N 2 2 222.336 1.259 50 0 BDAALP [NH3+][C@H]1C[N@H+](Cc2ccco2)C[C@@H]1C1CC1 ZINC000091690126 384138726 /nfs/dbraw/zinc/13/87/26/384138726.db2.gz SGJBIAMEKJDJLO-NEPJUHHUSA-N 2 2 206.289 1.449 50 0 BDAALP [NH3+][C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1C1CC1 ZINC000091690126 384138734 /nfs/dbraw/zinc/13/87/34/384138734.db2.gz SGJBIAMEKJDJLO-NEPJUHHUSA-N 2 2 206.289 1.449 50 0 BDAALP Cc1ccnc(NCC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000067724412 384169306 /nfs/dbraw/zinc/16/93/06/384169306.db2.gz UQXVBUWTNXGLDV-LBPRGKRZSA-N 2 2 248.374 1.532 50 0 BDAALP CC[C@H]1C[N@H+](CC)CCN1c1cc[nH+]c(C)n1 ZINC000408519740 384276405 /nfs/dbraw/zinc/27/64/05/384276405.db2.gz XEUJLECGSJQYLH-LBPRGKRZSA-N 2 2 234.347 1.706 50 0 BDAALP CC[C@H]1C[N@@H+](CC)CCN1c1cc[nH+]c(C)n1 ZINC000408519740 384276414 /nfs/dbraw/zinc/27/64/14/384276414.db2.gz XEUJLECGSJQYLH-LBPRGKRZSA-N 2 2 234.347 1.706 50 0 BDAALP CCCn1cc[nH+]c1CN1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097759433 384554573 /nfs/dbraw/zinc/55/45/73/384554573.db2.gz QEHSIIKPTXFNOU-OLZOCXBDSA-N 2 2 248.374 1.477 50 0 BDAALP CCC[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000082135114 384648158 /nfs/dbraw/zinc/64/81/58/384648158.db2.gz LHMQXVRBYHUUGL-VXGBXAGGSA-N 2 2 236.363 1.572 50 0 BDAALP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cn1 ZINC000082170620 384650335 /nfs/dbraw/zinc/65/03/35/384650335.db2.gz DOBGZWMGKUVKNA-CYBMUJFWSA-N 2 2 248.374 1.461 50 0 BDAALP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cn1 ZINC000082170620 384650343 /nfs/dbraw/zinc/65/03/43/384650343.db2.gz DOBGZWMGKUVKNA-CYBMUJFWSA-N 2 2 248.374 1.461 50 0 BDAALP Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CC[NH2+]C1 ZINC000169676823 385416861 /nfs/dbraw/zinc/41/68/61/385416861.db2.gz GODRQOPPMGVCHZ-GFCCVEGCSA-N 2 2 228.299 1.788 50 0 BDAALP Cn1c[nH+]cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000215512956 385844397 /nfs/dbraw/zinc/84/43/97/385844397.db2.gz WBYPVPGNTZLNCC-UHFFFAOYSA-N 2 2 249.358 1.813 50 0 BDAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH2+]CC2 ZINC000253495371 387290558 /nfs/dbraw/zinc/29/05/58/387290558.db2.gz AWYWTZFQZLSUEV-UHFFFAOYSA-N 2 2 248.374 1.647 50 0 BDAALP CCCc1nc(N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000006702247 132243518 /nfs/dbraw/zinc/24/35/18/132243518.db2.gz YFGWQYGNDYCUAE-UHFFFAOYSA-N 2 2 220.320 1.147 50 0 BDAALP Cc1cc([NH3+])ccc1N1CC[NH+](C)CC1 ZINC000007986283 132318625 /nfs/dbraw/zinc/31/86/25/132318625.db2.gz VVMXAXVHQDIGRF-UHFFFAOYSA-N 2 2 205.305 1.329 50 0 BDAALP COC[C@@H](C)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000065503700 409993822 /nfs/dbraw/zinc/99/38/22/409993822.db2.gz GJRCSFMKESPRTP-LLVKDONJSA-N 2 2 223.320 1.288 50 0 BDAALP COCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200613 174315243 /nfs/dbraw/zinc/31/52/43/174315243.db2.gz OYAIVJGOSSSHJC-GFCCVEGCSA-N 2 2 235.331 1.462 50 0 BDAALP COCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200613 174315244 /nfs/dbraw/zinc/31/52/44/174315244.db2.gz OYAIVJGOSSSHJC-GFCCVEGCSA-N 2 2 235.331 1.462 50 0 BDAALP COc1ccc2[nH]c([C@H]3CC[NH2+]C3)[nH+]c2c1 ZINC000070633532 175229592 /nfs/dbraw/zinc/22/95/92/175229592.db2.gz FRQIDVPLXRHXHK-QMMMGPOBSA-N 2 2 217.272 1.648 50 0 biogenic,in-vitro BDAALP COc1cccc([C@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000032497032 175294239 /nfs/dbraw/zinc/29/42/39/175294239.db2.gz SNAJCUMTTLXNCP-ZDUSSCGKSA-N 2 2 220.316 1.791 50 0 BDAALP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068592964 177165794 /nfs/dbraw/zinc/16/57/94/177165794.db2.gz UMKXOVBYIBQJBM-AAEUAGOBSA-N 2 2 204.317 1.856 50 0 BDAALP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068592964 177165796 /nfs/dbraw/zinc/16/57/96/177165796.db2.gz UMKXOVBYIBQJBM-AAEUAGOBSA-N 2 2 204.317 1.856 50 0 BDAALP COCCC1CC[NH+](CCc2[nH]cc[nH+]2)CC1 ZINC000670441120 487489278 /nfs/dbraw/zinc/48/92/78/487489278.db2.gz GSTNSKAQYIKXPM-UHFFFAOYSA-N 2 2 237.347 1.701 50 0 BDAALP CN(CCn1cc[nH+]c1)c1[nH+]cnc2[nH]ccc21 ZINC000670460930 487514007 /nfs/dbraw/zinc/51/40/07/487514007.db2.gz BHINZOZZSMLCMN-UHFFFAOYSA-N 2 2 242.286 1.291 50 0 BDAALP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000221160900 526019649 /nfs/dbraw/zinc/01/96/49/526019649.db2.gz DXHZYCMQNLVEHM-ZDUSSCGKSA-N 2 2 234.343 1.879 50 0 BDAALP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000221160900 526019656 /nfs/dbraw/zinc/01/96/56/526019656.db2.gz DXHZYCMQNLVEHM-ZDUSSCGKSA-N 2 2 234.343 1.879 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@H]1[NH2+]CCC[C@H]1[NH3+] ZINC000757216222 582561844 /nfs/dbraw/zinc/56/18/44/582561844.db2.gz ZCHFYUIOTSZBTK-DGCLKSJQSA-N 2 2 230.315 1.623 50 0 BDAALP Cc1cccc(C[N@H+](C)CCc2[nH+]ccn2C)n1 ZINC001506401491 988773045 /nfs/dbraw/zinc/77/30/45/988773045.db2.gz INCBSCCWZDHZGG-UHFFFAOYSA-N 2 2 244.342 1.798 50 0 BDAALP Cc1ccc(NC(=O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000019388998 342947402 /nfs/dbraw/zinc/94/74/02/342947402.db2.gz DJTRAZKEOCKUDU-UHFFFAOYSA-N 2 2 247.342 1.357 50 0 BDAALP Cn1cc([C@@H](C[NH3+])[NH+](C)C)c2ccccc21 ZINC000041230472 343417380 /nfs/dbraw/zinc/41/73/80/343417380.db2.gz ZJZKBTKAHBXKSR-CYBMUJFWSA-N 2 2 217.316 1.740 50 0 BDAALP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000095422877 188145026 /nfs/dbraw/zinc/14/50/26/188145026.db2.gz SOWNJVOVVPZNRA-KGLIPLIRSA-N 2 2 242.407 1.979 50 0 BDAALP CCC[NH+]1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008733383 169190742 /nfs/dbraw/zinc/19/07/42/169190742.db2.gz ADQXPGUBBIISIK-UHFFFAOYSA-N 2 2 234.347 1.257 50 0 biogenic BDAALP c1cn(Cc2ccncc2)c(C2CC[NH2+]CC2)[nH+]1 ZINC000096032237 183356337 /nfs/dbraw/zinc/35/63/37/183356337.db2.gz VLKRAFGVWXWDHN-UHFFFAOYSA-N 2 2 242.326 1.793 50 0 BDAALP [NH3+][C@H]1C[N@H+](Cc2ccncc2)C[C@@H]1C1CC1 ZINC000091254423 384111809 /nfs/dbraw/zinc/11/18/09/384111809.db2.gz RUVLMUPQGPUMHW-OLZOCXBDSA-N 2 2 217.316 1.251 50 0 BDAALP [NH3+][C@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1C1CC1 ZINC000091254423 384111815 /nfs/dbraw/zinc/11/18/15/384111815.db2.gz RUVLMUPQGPUMHW-OLZOCXBDSA-N 2 2 217.316 1.251 50 0 BDAALP c1cn(CC[NH2+]Cc2ccsc2)c[nH+]1 ZINC000041041874 384175897 /nfs/dbraw/zinc/17/58/97/384175897.db2.gz IUWNGAYDHMHWNG-UHFFFAOYSA-N 2 2 207.302 1.734 50 0 BDAALP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccccc2)C1 ZINC000072267030 384204719 /nfs/dbraw/zinc/20/47/19/384204719.db2.gz RCHUWSZENOUOPP-CYBMUJFWSA-N 2 2 222.307 1.949 50 0 BDAALP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000072267030 384204721 /nfs/dbraw/zinc/20/47/21/384204721.db2.gz RCHUWSZENOUOPP-CYBMUJFWSA-N 2 2 222.307 1.949 50 0 BDAALP Cc1[nH+]c2cc(C)ccn2c1CN1CC[NH2+]CC1 ZINC000019361905 384516535 /nfs/dbraw/zinc/51/65/35/384516535.db2.gz GQVOQYUSGMSHBQ-UHFFFAOYSA-N 2 2 244.342 1.356 50 0 BDAALP C[NH+](C)CC[NH2+]CCCc1ccccc1 ZINC000020056966 384570359 /nfs/dbraw/zinc/57/03/59/384570359.db2.gz LXWZLAHEJWPRSQ-UHFFFAOYSA-N 2 2 206.333 1.770 50 0 BDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)Cc1ccccc1 ZINC000054788511 384854142 /nfs/dbraw/zinc/85/41/42/384854142.db2.gz GSKOLHDIRSAPQQ-LLVKDONJSA-N 2 2 201.273 1.522 50 0 BDAALP [NH3+][C@@H](Cc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000054788511 384854145 /nfs/dbraw/zinc/85/41/45/384854145.db2.gz GSKOLHDIRSAPQQ-LLVKDONJSA-N 2 2 201.273 1.522 50 0 BDAALP c1cn(CCC[NH2+][C@H]2CCSC2)c[nH+]1 ZINC000002498922 384950569 /nfs/dbraw/zinc/95/05/69/384950569.db2.gz XXYSQCSZIHXPEC-JTQLQIEISA-N 2 2 211.334 1.368 50 0 BDAALP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000050227772 385312075 /nfs/dbraw/zinc/31/20/75/385312075.db2.gz AJIVUONCSPBTEM-ZDUSSCGKSA-N 2 2 204.317 1.836 50 0 BDAALP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000050227772 385312079 /nfs/dbraw/zinc/31/20/79/385312079.db2.gz AJIVUONCSPBTEM-ZDUSSCGKSA-N 2 2 204.317 1.836 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000250650910 385603820 /nfs/dbraw/zinc/60/38/20/385603820.db2.gz PYVXWWICILLOFY-KBPBESRZSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000250650910 385603824 /nfs/dbraw/zinc/60/38/24/385603824.db2.gz PYVXWWICILLOFY-KBPBESRZSA-N 2 2 216.328 1.870 50 0 BDAALP C[NH+](C)C[C@H]1C[N@H+](CC2CCCC2)CCO1 ZINC000075133136 386984727 /nfs/dbraw/zinc/98/47/27/386984727.db2.gz MUHVJCIWALFETQ-ZDUSSCGKSA-N 2 2 226.364 1.439 50 0 BDAALP C[NH+](C)C[C@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000075133136 386984732 /nfs/dbraw/zinc/98/47/32/386984732.db2.gz MUHVJCIWALFETQ-ZDUSSCGKSA-N 2 2 226.364 1.439 50 0 BDAALP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408366 388758959 /nfs/dbraw/zinc/75/89/59/388758959.db2.gz MWBGWRCKXKXMNE-LBPRGKRZSA-N 2 2 249.358 1.865 50 0 BDAALP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408366 388758962 /nfs/dbraw/zinc/75/89/62/388758962.db2.gz MWBGWRCKXKXMNE-LBPRGKRZSA-N 2 2 249.358 1.865 50 0 BDAALP C[N@@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000267324373 173019550 /nfs/dbraw/zinc/01/95/50/173019550.db2.gz ASQRUHUHNVAVNF-UHFFFAOYSA-N 2 2 225.723 1.877 50 0 BDAALP C[N@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000267324373 173019551 /nfs/dbraw/zinc/01/95/51/173019551.db2.gz ASQRUHUHNVAVNF-UHFFFAOYSA-N 2 2 225.723 1.877 50 0 BDAALP C[C@H]1CCCC[N@@H+]1CCN(C)Cc1[nH]cc[nH+]1 ZINC000065422117 177075620 /nfs/dbraw/zinc/07/56/20/177075620.db2.gz WAFVKTTVUSCPFF-LBPRGKRZSA-N 2 2 236.363 1.716 50 0 BDAALP C[C@H]1CCCC[N@H+]1CCN(C)Cc1[nH]cc[nH+]1 ZINC000065422117 177075621 /nfs/dbraw/zinc/07/56/21/177075621.db2.gz WAFVKTTVUSCPFF-LBPRGKRZSA-N 2 2 236.363 1.716 50 0 BDAALP O[C@]12CCCC[C@H]1C[N@H+](CCc1[nH]cc[nH+]1)CC2 ZINC000670439888 487488922 /nfs/dbraw/zinc/48/89/22/487488922.db2.gz MJQRVKIRNKZNNS-JSGCOSHPSA-N 2 2 249.358 1.579 50 0 BDAALP O[C@]12CCCC[C@H]1C[N@@H+](CCc1[nH]cc[nH+]1)CC2 ZINC000670439888 487488926 /nfs/dbraw/zinc/48/89/26/487488926.db2.gz MJQRVKIRNKZNNS-JSGCOSHPSA-N 2 2 249.358 1.579 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CC[C@H](C)[C@@H]1[NH3+] ZINC000757216228 582561157 /nfs/dbraw/zinc/56/11/57/582561157.db2.gz ZDBPZWQXJQAQFU-YZMDESFKSA-N 2 2 244.342 1.869 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CCC[C@H]1[NH3+] ZINC000757216224 582561856 /nfs/dbraw/zinc/56/18/56/582561856.db2.gz ZCHFYUIOTSZBTK-YPMHNXCESA-N 2 2 230.315 1.623 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@H]1[NH2+]CCC[C@@H]1[NH3+] ZINC000757216223 582561924 /nfs/dbraw/zinc/56/19/24/582561924.db2.gz ZCHFYUIOTSZBTK-WCQYABFASA-N 2 2 230.315 1.623 50 0 BDAALP Cc1cc(CSC(N)=[NH2+])c(O)c(C)[nH+]1 ZINC000003877687 633142689 /nfs/dbraw/zinc/14/26/89/633142689.db2.gz GGJCVUJPVDMRIN-UHFFFAOYSA-N 2 2 211.290 1.531 50 0 BDAALP C[N@H+](Cc1ccoc1)C1CC[NH+](C)CC1 ZINC000000201347 642752352 /nfs/dbraw/zinc/75/23/52/642752352.db2.gz AXLATXFTEKNYOZ-UHFFFAOYSA-N 2 2 208.305 1.806 50 0 BDAALP C[N@@H+](Cc1ccoc1)C1CC[NH+](C)CC1 ZINC000000201347 642752361 /nfs/dbraw/zinc/75/23/61/642752361.db2.gz AXLATXFTEKNYOZ-UHFFFAOYSA-N 2 2 208.305 1.806 50 0 BDAALP CC[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000000757629 342692331 /nfs/dbraw/zinc/69/23/31/342692331.db2.gz JPBNMRGGQDXBIK-UHFFFAOYSA-N 2 2 214.378 1.520 50 0 BDAALP Cc1[nH+]c2ccc(C)cn2c1CN1CC[NH2+]CC1 ZINC000019230056 342944311 /nfs/dbraw/zinc/94/43/11/342944311.db2.gz FMUCGJYSIRXJAW-UHFFFAOYSA-N 2 2 244.342 1.356 50 0 BDAALP Cc1n[nH]cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037141057 187392481 /nfs/dbraw/zinc/39/24/81/187392481.db2.gz HATXJBIYIFNVRQ-UHFFFAOYSA-N 2 2 234.347 1.435 50 0 BDAALP CC(C)[N@H+](C)CCNc1nc[nH+]c(N)c1Cl ZINC000225477917 188181141 /nfs/dbraw/zinc/18/11/41/188181141.db2.gz ZCTDNAUUGKKPDY-UHFFFAOYSA-N 2 2 243.742 1.464 50 0 BDAALP CC(C)[N@@H+](C)CCNc1nc[nH+]c(N)c1Cl ZINC000225477917 188181143 /nfs/dbraw/zinc/18/11/43/188181143.db2.gz ZCTDNAUUGKKPDY-UHFFFAOYSA-N 2 2 243.742 1.464 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CN1C ZINC000252120090 541445296 /nfs/dbraw/zinc/44/52/96/541445296.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 2 2 237.391 1.295 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CN1C ZINC000252120090 541445299 /nfs/dbraw/zinc/44/52/99/541445299.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 2 2 237.391 1.295 50 0 BDAALP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000022935998 181391496 /nfs/dbraw/zinc/39/14/96/181391496.db2.gz LDLWTHMIKGPNCU-ZDUSSCGKSA-N 2 2 204.317 1.825 50 0 BDAALP [NH3+]CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000022935998 181391498 /nfs/dbraw/zinc/39/14/98/181391498.db2.gz LDLWTHMIKGPNCU-ZDUSSCGKSA-N 2 2 204.317 1.825 50 0 BDAALP c1ccc2[nH+]c(N3CCC[NH2+]CC3)[nH]c2c1 ZINC000037756925 183435107 /nfs/dbraw/zinc/43/51/07/183435107.db2.gz SSPVIXHPLKDPNO-UHFFFAOYSA-N 2 2 216.288 1.363 50 0 BDAALP c1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000002565486 383976157 /nfs/dbraw/zinc/97/61/57/383976157.db2.gz KMFYUJZFLWMNJB-UHFFFAOYSA-N 2 2 234.343 1.499 50 0 BDAALP [NH3+]C[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000039174832 384108922 /nfs/dbraw/zinc/10/89/22/384108922.db2.gz DVKWIWXLYIWZOT-NSHDSACASA-N 2 2 234.299 1.511 50 0 BDAALP CC(C)[C@H]1C[N@H+](CCc2ccccn2)C[C@@H]1[NH3+] ZINC000091932248 384154325 /nfs/dbraw/zinc/15/43/25/384154325.db2.gz QJRMUOMIUNJUMB-KGLIPLIRSA-N 2 2 233.359 1.539 50 0 BDAALP CC(C)[C@H]1C[N@@H+](CCc2ccccn2)C[C@@H]1[NH3+] ZINC000091932248 384154329 /nfs/dbraw/zinc/15/43/29/384154329.db2.gz QJRMUOMIUNJUMB-KGLIPLIRSA-N 2 2 233.359 1.539 50 0 BDAALP CC[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000075772305 384335081 /nfs/dbraw/zinc/33/50/81/384335081.db2.gz GRAAOXUBCOHRGS-KGLIPLIRSA-N 2 2 234.343 1.625 50 0 BDAALP CC[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000075772305 384335090 /nfs/dbraw/zinc/33/50/90/384335090.db2.gz GRAAOXUBCOHRGS-KGLIPLIRSA-N 2 2 234.343 1.625 50 0 BDAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccnc1)CCC2 ZINC000084425079 384396841 /nfs/dbraw/zinc/39/68/41/384396841.db2.gz JZLVJODYCIFPJQ-ZDUSSCGKSA-N 2 2 242.326 1.945 50 0 BDAALP c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126974 384582728 /nfs/dbraw/zinc/58/27/28/384582728.db2.gz OTNSRGGZKMDZHU-UHFFFAOYSA-N 2 2 204.317 1.872 50 0 BDAALP CN(C)c1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cn1 ZINC000082170618 384649968 /nfs/dbraw/zinc/64/99/68/384649968.db2.gz DOBGZWMGKUVKNA-ZDUSSCGKSA-N 2 2 248.374 1.461 50 0 BDAALP CN(C)c1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cn1 ZINC000082170618 384649977 /nfs/dbraw/zinc/64/99/77/384649977.db2.gz DOBGZWMGKUVKNA-ZDUSSCGKSA-N 2 2 248.374 1.461 50 0 BDAALP Cc1cc(C)c(C[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1C ZINC000065397390 388276203 /nfs/dbraw/zinc/27/62/03/388276203.db2.gz YYFLMDNMQBCXNK-HNNXBMFYSA-N 2 2 248.370 1.771 50 0 BDAALP Cc1cc(C)c(C[N@H+]2CCO[C@@H](C[NH3+])C2)cc1C ZINC000065397390 388276206 /nfs/dbraw/zinc/27/62/06/388276206.db2.gz YYFLMDNMQBCXNK-HNNXBMFYSA-N 2 2 248.370 1.771 50 0 BDAALP Cc1nc(N2CCC([NH+](C)C)CC2)cc[nH+]1 ZINC000360225892 132278303 /nfs/dbraw/zinc/27/83/03/132278303.db2.gz SSCNODFGLZBSTH-UHFFFAOYSA-N 2 2 220.320 1.315 50 0 BDAALP Cc1cc(N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000004219043 132316361 /nfs/dbraw/zinc/31/63/61/132316361.db2.gz WDTSIWZARFGZIE-UHFFFAOYSA-N 2 2 220.320 1.318 50 0 BDAALP C[NH2+][C@H](C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000022027844 398092970 /nfs/dbraw/zinc/09/29/70/398092970.db2.gz KPNNICFJNNQFMX-CYBMUJFWSA-N 3 2 225.380 1.012 50 0 BDAALP Cc1cc(C)c(CNC(=O)[C@H](C)[NH+](C)C)c[nH+]1 ZINC000426382909 410658494 /nfs/dbraw/zinc/65/84/94/410658494.db2.gz KODSVAUQURYHFH-NSHDSACASA-N 2 2 235.331 1.265 50 0 BDAALP C[N@H+](Cc1ccccc1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000046087335 411156865 /nfs/dbraw/zinc/15/68/65/411156865.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 2 248.370 1.575 50 0 BDAALP C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000046087335 411156870 /nfs/dbraw/zinc/15/68/70/411156870.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 2 248.370 1.575 50 0 BDAALP C[NH+](Cc1ccccc1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000046087335 411156876 /nfs/dbraw/zinc/15/68/76/411156876.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 2 248.370 1.575 50 0 BDAALP C[NH+](Cc1ccccc1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000046087335 411156879 /nfs/dbraw/zinc/15/68/79/411156879.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 2 248.370 1.575 50 0 BDAALP C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000049714042 487777423 /nfs/dbraw/zinc/77/74/23/487777423.db2.gz IKRARZMUTGSISN-BXKDBHETSA-N 2 2 239.388 1.881 50 0 BDAALP C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000049714042 487777427 /nfs/dbraw/zinc/77/74/27/487777427.db2.gz IKRARZMUTGSISN-BXKDBHETSA-N 2 2 239.388 1.881 50 0 BDAALP C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCn1cccn1 ZINC000670441728 487490110 /nfs/dbraw/zinc/49/01/10/487490110.db2.gz BROYKQGHAUBMDD-KGLIPLIRSA-N 2 2 248.374 1.442 50 0 BDAALP C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCn1cccn1 ZINC000670441728 487490114 /nfs/dbraw/zinc/49/01/14/487490114.db2.gz BROYKQGHAUBMDD-KGLIPLIRSA-N 2 2 248.374 1.442 50 0 BDAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cccn1 ZINC000670441728 487490118 /nfs/dbraw/zinc/49/01/18/487490118.db2.gz BROYKQGHAUBMDD-KGLIPLIRSA-N 2 2 248.374 1.442 50 0 BDAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cccn1 ZINC000670441728 487490124 /nfs/dbraw/zinc/49/01/24/487490124.db2.gz BROYKQGHAUBMDD-KGLIPLIRSA-N 2 2 248.374 1.442 50 0 BDAALP CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000670446530 487494628 /nfs/dbraw/zinc/49/46/28/487494628.db2.gz MYRYECGDZWHWNE-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000670446530 487494636 /nfs/dbraw/zinc/49/46/36/487494636.db2.gz MYRYECGDZWHWNE-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cnc(C)nc2)C1 ZINC000670446530 487494641 /nfs/dbraw/zinc/49/46/41/487494641.db2.gz MYRYECGDZWHWNE-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000670446530 487494646 /nfs/dbraw/zinc/49/46/46/487494646.db2.gz MYRYECGDZWHWNE-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP Cc1c[nH]c(C[N@@H+](C)C[C@H](C)n2cc[nH+]c2C)n1 ZINC000020542139 491097834 /nfs/dbraw/zinc/09/78/34/491097834.db2.gz KBTUGJKFEXYWBN-NSHDSACASA-N 2 2 247.346 1.916 50 0 BDAALP Cc1c[nH]c(C[N@H+](C)C[C@H](C)n2cc[nH+]c2C)n1 ZINC000020542139 491097835 /nfs/dbraw/zinc/09/78/35/491097835.db2.gz KBTUGJKFEXYWBN-NSHDSACASA-N 2 2 247.346 1.916 50 0 BDAALP Cn1cccc/c1=[NH+]\c1cccc[n+]1C ZINC000013510579 527382838 /nfs/dbraw/zinc/38/28/38/527382838.db2.gz XLQZLZRLBBIOIM-UHFFFAOYSA-N 2 2 200.265 1.082 50 0 BDAALP CCn1c[nH+]cc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421408447 192332566 /nfs/dbraw/zinc/33/25/66/192332566.db2.gz LGGMIAAXCHQBNR-GFCCVEGCSA-N 2 2 236.363 1.429 50 0 BDAALP CCn1c[nH+]cc1CN(C)C[C@H]1CCC[N@H+]1C ZINC000421408447 192332569 /nfs/dbraw/zinc/33/25/69/192332569.db2.gz LGGMIAAXCHQBNR-GFCCVEGCSA-N 2 2 236.363 1.429 50 0 BDAALP c1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c[nH]1 ZINC000170603120 361788607 /nfs/dbraw/zinc/78/86/07/361788607.db2.gz DPALHKLDBCUSEW-ZDUSSCGKSA-N 2 2 230.315 1.876 50 0 BDAALP c1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c[nH]1 ZINC000170603120 361788612 /nfs/dbraw/zinc/78/86/12/361788612.db2.gz DPALHKLDBCUSEW-ZDUSSCGKSA-N 2 2 230.315 1.876 50 0 BDAALP [NH3+][C@@H](c1cccnc1)[C@@H]([NH3+])c1cccnc1 ZINC000022860005 343056391 /nfs/dbraw/zinc/05/63/91/343056391.db2.gz XPLJUOJBKASXBU-RYUDHWBXSA-N 2 2 214.272 1.176 50 0 BDAALP C[NH+](C)Cc1nc(CSCC[NH3+])cs1 ZINC000034586659 343275355 /nfs/dbraw/zinc/27/53/55/343275355.db2.gz FDMDNIIUCZHKFE-UHFFFAOYSA-N 2 2 231.390 1.397 50 0 in-vitro BDAALP Cc1c[nH]c(CN2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000628162245 344863186 /nfs/dbraw/zinc/86/31/86/344863186.db2.gz JCEUJRAJSASOND-NSHDSACASA-N 2 2 222.336 1.244 50 0 BDAALP Cc1c[nH]c(C[NH+]2CCC([NH3+])CC2)c(C)c1=O ZINC000030822962 345776639 /nfs/dbraw/zinc/77/66/39/345776639.db2.gz CKFXYABDTPJXFG-UHFFFAOYSA-N 2 2 235.331 1.327 50 0 BDAALP Cc1cccc(NC[C@@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000097096483 179147292 /nfs/dbraw/zinc/14/72/92/179147292.db2.gz YLJBNQPLVIERHF-GFCCVEGCSA-N 2 2 249.358 1.770 50 0 BDAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccn1)CCC2 ZINC000089883751 362953837 /nfs/dbraw/zinc/95/38/37/362953837.db2.gz WQWAZJAJOIEZMS-GFCCVEGCSA-N 2 2 242.326 1.945 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000405692985 354841866 /nfs/dbraw/zinc/84/18/66/354841866.db2.gz DWZMTVBMIJZWLS-OUCADQQQSA-N 2 2 234.343 1.946 50 0 BDAALP [NH3+]C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000020521648 181345106 /nfs/dbraw/zinc/34/51/06/181345106.db2.gz WNQXIWMYWRHSNU-UHFFFAOYSA-N 2 2 226.270 1.888 50 0 BDAALP CC(C)[C@H](CNc1cc[nH+]cc1F)[NH+](C)C ZINC000584891129 369038494 /nfs/dbraw/zinc/03/84/94/369038494.db2.gz SENRHSGWHJECTA-LBPRGKRZSA-N 2 2 225.311 1.641 50 0 BDAALP [NH3+]C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000035677125 384091181 /nfs/dbraw/zinc/09/11/81/384091181.db2.gz ORZCKQHZSBNGRU-QMMMGPOBSA-N 2 2 205.088 1.952 50 0 BDAALP CC[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000075772307 384336617 /nfs/dbraw/zinc/33/66/17/384336617.db2.gz GRAAOXUBCOHRGS-UONOGXRCSA-N 2 2 234.343 1.625 50 0 BDAALP CC[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000075772307 384336623 /nfs/dbraw/zinc/33/66/23/384336623.db2.gz GRAAOXUBCOHRGS-UONOGXRCSA-N 2 2 234.343 1.625 50 0 BDAALP c1cn(Cc2cccnc2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032248 384421591 /nfs/dbraw/zinc/42/15/91/384421591.db2.gz YKLCLDVSMQDSLG-CYBMUJFWSA-N 2 2 242.326 1.793 50 0 BDAALP [NH3+][C@@H](c1ccc(O)cc1)[C@@H]([NH3+])c1ccc(O)cc1 ZINC000095532360 384379468 /nfs/dbraw/zinc/37/94/68/384379468.db2.gz FQRUNJQARWTBBE-KBPBESRZSA-N 2 2 244.294 1.798 50 0 BDAALP Cn1ccnc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084331641 384389340 /nfs/dbraw/zinc/38/93/40/384389340.db2.gz VILOUEGRDKWFLO-LLVKDONJSA-N 2 2 245.330 1.284 50 0 BDAALP CC[C@@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022920576 384780073 /nfs/dbraw/zinc/78/00/73/384780073.db2.gz SEQJZTGNYKDDJR-ZDUSSCGKSA-N 2 2 204.317 1.782 50 0 BDAALP CC[C@@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022920576 384780076 /nfs/dbraw/zinc/78/00/76/384780076.db2.gz SEQJZTGNYKDDJR-ZDUSSCGKSA-N 2 2 204.317 1.782 50 0 BDAALP CC[C@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022920581 384780520 /nfs/dbraw/zinc/78/05/20/384780520.db2.gz SEQJZTGNYKDDJR-CYBMUJFWSA-N 2 2 204.317 1.782 50 0 BDAALP CC[C@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022920581 384780529 /nfs/dbraw/zinc/78/05/29/384780529.db2.gz SEQJZTGNYKDDJR-CYBMUJFWSA-N 2 2 204.317 1.782 50 0 BDAALP Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CC[NH2+]C1 ZINC000169676825 385416592 /nfs/dbraw/zinc/41/65/92/385416592.db2.gz GPNHHRHPVHZIME-GFCCVEGCSA-N 2 2 228.299 1.788 50 0 BDAALP Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CC[NH2+]C1 ZINC000169676824 385417170 /nfs/dbraw/zinc/41/71/70/385417170.db2.gz GODRQOPPMGVCHZ-LBPRGKRZSA-N 2 2 228.299 1.788 50 0 BDAALP CCc1ncc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000414443435 386489665 /nfs/dbraw/zinc/48/96/65/386489665.db2.gz ISKHASNQXDWDSG-BETUJISGSA-N 2 2 246.358 1.032 50 0 BDAALP CCc1ncc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000414443435 386489671 /nfs/dbraw/zinc/48/96/71/386489671.db2.gz ISKHASNQXDWDSG-BETUJISGSA-N 2 2 246.358 1.032 50 0 BDAALP CCc1ncc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000414443435 386489673 /nfs/dbraw/zinc/48/96/73/386489673.db2.gz ISKHASNQXDWDSG-BETUJISGSA-N 2 2 246.358 1.032 50 0 BDAALP CCc1ncc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000414443435 386489676 /nfs/dbraw/zinc/48/96/76/386489676.db2.gz ISKHASNQXDWDSG-BETUJISGSA-N 2 2 246.358 1.032 50 0 BDAALP CC[NH+](CC)CCC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000191808938 387143087 /nfs/dbraw/zinc/14/30/87/387143087.db2.gz BJXFTPPTFODYIE-QWHCGFSZSA-N 2 2 228.380 1.828 50 0 BDAALP CC[NH+](CC)CCC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000191808938 387143093 /nfs/dbraw/zinc/14/30/93/387143093.db2.gz BJXFTPPTFODYIE-QWHCGFSZSA-N 2 2 228.380 1.828 50 0 BDAALP C[NH+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000004150360 388392056 /nfs/dbraw/zinc/39/20/56/388392056.db2.gz WOYNSNHVPQOUTC-UHFFFAOYSA-N 2 2 204.277 1.536 50 0 BDAALP Cc1ccc(C[NH2+]C[C@H](O)C[NH+](C)C)c(C)c1 ZINC000069708324 388425050 /nfs/dbraw/zinc/42/50/50/388425050.db2.gz QBZVFOUPBRKSIB-AWEZNQCLSA-N 2 2 236.359 1.316 50 0 BDAALP Cc1cccc(N2CC[NH+](CC(C)(C)[NH3+])CC2)c1 ZINC000040925789 132348959 /nfs/dbraw/zinc/34/89/59/132348959.db2.gz LOCYDWUFHBQZMK-UHFFFAOYSA-N 2 2 247.386 1.854 50 0 BDAALP CC(C)C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000006550643 167008229 /nfs/dbraw/zinc/00/82/29/167008229.db2.gz JYLDLRCXCSIDDJ-ZDUSSCGKSA-N 2 2 228.380 1.589 50 0 BDAALP CC(C)C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000006550643 167008232 /nfs/dbraw/zinc/00/82/32/167008232.db2.gz JYLDLRCXCSIDDJ-ZDUSSCGKSA-N 2 2 228.380 1.589 50 0 BDAALP CCC[C@H](CNc1nc(NC)cc[nH+]1)[NH+](C)C ZINC000534648210 412365332 /nfs/dbraw/zinc/36/53/32/412365332.db2.gz PQRAQSNDCXZBRV-SNVBAGLBSA-N 2 2 237.351 1.661 50 0 BDAALP CCn1cc[nH+]c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171649187 172220992 /nfs/dbraw/zinc/22/09/92/172220992.db2.gz GNALHFPBKHYHJS-GFCCVEGCSA-N 2 2 234.347 1.183 50 0 BDAALP CCn1cc[nH+]c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171649187 172220994 /nfs/dbraw/zinc/22/09/94/172220994.db2.gz GNALHFPBKHYHJS-GFCCVEGCSA-N 2 2 234.347 1.183 50 0 BDAALP C[NH2+]C1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000037483652 173324063 /nfs/dbraw/zinc/32/40/63/173324063.db2.gz VNPQVLANRVGRCY-LLVKDONJSA-N 2 2 219.332 1.826 50 0 BDAALP COc1ccc([C@@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000019254946 175179844 /nfs/dbraw/zinc/17/98/44/175179844.db2.gz PCUWBOCJLTYKKA-ZDUSSCGKSA-N 2 2 220.316 1.791 50 0 BDAALP COc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)n1 ZINC000225435663 175255576 /nfs/dbraw/zinc/25/55/76/175255576.db2.gz WFUJFRCLVLKVQU-GFCCVEGCSA-N 2 2 249.358 1.474 50 0 BDAALP COc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)n1 ZINC000225435663 175255578 /nfs/dbraw/zinc/25/55/78/175255578.db2.gz WFUJFRCLVLKVQU-GFCCVEGCSA-N 2 2 249.358 1.474 50 0 BDAALP COc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000225435663 175255579 /nfs/dbraw/zinc/25/55/79/175255579.db2.gz WFUJFRCLVLKVQU-GFCCVEGCSA-N 2 2 249.358 1.474 50 0 BDAALP COc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000225435663 175255581 /nfs/dbraw/zinc/25/55/81/175255581.db2.gz WFUJFRCLVLKVQU-GFCCVEGCSA-N 2 2 249.358 1.474 50 0 BDAALP Fc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000019943305 342963881 /nfs/dbraw/zinc/96/38/81/342963881.db2.gz KZCHYFUMQQWGJK-UHFFFAOYSA-N 2 2 208.280 1.621 50 0 BDAALP Fc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000019943305 342963882 /nfs/dbraw/zinc/96/38/82/342963882.db2.gz KZCHYFUMQQWGJK-UHFFFAOYSA-N 2 2 208.280 1.621 50 0 BDAALP [NH3+][C@H](c1cccnc1)[C@H]([NH3+])c1cccnc1 ZINC000022583202 343051589 /nfs/dbraw/zinc/05/15/89/343051589.db2.gz XPLJUOJBKASXBU-VXGBXAGGSA-N 2 2 214.272 1.176 50 0 BDAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000023352026 343063634 /nfs/dbraw/zinc/06/36/34/343063634.db2.gz LAXHKLZXVYCQDQ-LSDHHAIUSA-N 2 2 248.370 1.794 50 0 BDAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000023352026 343063635 /nfs/dbraw/zinc/06/36/35/343063635.db2.gz LAXHKLZXVYCQDQ-LSDHHAIUSA-N 2 2 248.370 1.794 50 0 BDAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc[nH]1)CCC2 ZINC000089884729 362954032 /nfs/dbraw/zinc/95/40/32/362954032.db2.gz UXRQHMWAFOAAFH-SNVBAGLBSA-N 2 2 231.303 1.273 50 0 BDAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCOCC1)CCC2 ZINC000095402072 360336691 /nfs/dbraw/zinc/33/66/91/360336691.db2.gz PGUBUILZWIOXIC-GFCCVEGCSA-N 2 2 249.358 1.838 50 0 BDAALP [NH3+]C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000036379843 181344290 /nfs/dbraw/zinc/34/42/90/181344290.db2.gz VGGAGGFJRXHDCG-UHFFFAOYSA-N 2 2 226.270 1.888 50 0 BDAALP CCC[C@H]1CN(c2nc(C)[nH+]cc2C)C[C@@H]1[NH3+] ZINC000091254965 169529449 /nfs/dbraw/zinc/52/94/49/169529449.db2.gz KHLJKIXIHOOBOI-RYUDHWBXSA-N 2 2 234.347 1.657 50 0 BDAALP c1cn(CCCn2cc[nH+]c2[C@@H]2CCOC2)c[nH+]1 ZINC000067739840 383937988 /nfs/dbraw/zinc/93/79/88/383937988.db2.gz DHWAWPZBLDPWKV-GFCCVEGCSA-N 2 2 246.314 1.674 50 0 BDAALP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000035677124 384091334 /nfs/dbraw/zinc/09/13/34/384091334.db2.gz ORZCKQHZSBNGRU-MRVPVSSYSA-N 2 2 205.088 1.952 50 0 BDAALP CCC[C@H]1CN(c2cc(C)[nH+]cn2)C[C@@H]1[NH+](C)C ZINC000091780223 384143919 /nfs/dbraw/zinc/14/39/19/384143919.db2.gz UOOJTENOJDZIEG-STQMWFEESA-N 2 2 248.374 1.952 50 0 BDAALP c1cn(Cc2cscn2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032255 384421010 /nfs/dbraw/zinc/42/10/10/384421010.db2.gz FMVLRUKPJYLFKK-JTQLQIEISA-N 2 2 248.355 1.855 50 0 BDAALP CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c[nH+]c(C)n1C)C2 ZINC000101990120 384695111 /nfs/dbraw/zinc/69/51/11/384695111.db2.gz YSZILKJILNZVLK-IMRBUKKESA-N 2 2 249.358 1.585 50 0 BDAALP CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c[nH+]c(C)n1C)C2 ZINC000101990120 384695118 /nfs/dbraw/zinc/69/51/18/384695118.db2.gz YSZILKJILNZVLK-IMRBUKKESA-N 2 2 249.358 1.585 50 0 BDAALP C[NH+](C)CCC[NH2+]Cc1ccccc1F ZINC000057362389 384941856 /nfs/dbraw/zinc/94/18/56/384941856.db2.gz XXSQJRPPTRFIGY-UHFFFAOYSA-N 2 2 210.296 1.867 50 0 BDAALP C[C@@H](CCN(C)Cc1[nH]cc[nH+]1)[NH+]1CCCC1 ZINC000065417255 385308074 /nfs/dbraw/zinc/30/80/74/385308074.db2.gz KXKVQOTXEDMKCF-LBPRGKRZSA-N 2 2 236.363 1.716 50 0 BDAALP c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000034453817 385282116 /nfs/dbraw/zinc/28/21/16/385282116.db2.gz HSZHVFDKBROTBA-QWHCGFSZSA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000034453817 385282123 /nfs/dbraw/zinc/28/21/23/385282123.db2.gz HSZHVFDKBROTBA-QWHCGFSZSA-N 2 2 202.301 1.480 50 0 BDAALP C[C@H](CN[NH2+][C@@H](C)Cc1ccccc1)C[NH+](C)C ZINC000071773088 385938926 /nfs/dbraw/zinc/93/89/26/385938926.db2.gz AMWQKRZOKPAZHA-KGLIPLIRSA-N 2 2 249.402 1.910 50 0 BDAALP Cc1[nH+]c(CN2CC[C@H]([NH3+])C[C@H]2C)n(C)c1C ZINC000426510564 387576033 /nfs/dbraw/zinc/57/60/33/387576033.db2.gz BUDMDGJDPMXTPI-SKDRFNHKSA-N 2 2 236.363 1.349 50 0 BDAALP [NH3+]CCc1cn2cc(Br)ccc2[nH+]1 ZINC000011569904 388392553 /nfs/dbraw/zinc/39/25/53/388392553.db2.gz HBOBAWMJIHVRRM-UHFFFAOYSA-N 2 2 240.104 1.598 50 0 BDAALP CCCC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000069814229 388427755 /nfs/dbraw/zinc/42/77/55/388427755.db2.gz AVRZPWRFDCBTSZ-LLVKDONJSA-N 2 2 200.326 1.049 50 0 BDAALP CCCC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000069814229 388427757 /nfs/dbraw/zinc/42/77/57/388427757.db2.gz AVRZPWRFDCBTSZ-LLVKDONJSA-N 2 2 200.326 1.049 50 0 BDAALP C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000063100400 173322973 /nfs/dbraw/zinc/32/29/73/173322973.db2.gz NIPQVFDTZJOSDG-UHFFFAOYSA-N 2 2 210.243 1.623 50 0 BDAALP CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000670446529 487495619 /nfs/dbraw/zinc/49/56/19/487495619.db2.gz MYRYECGDZWHWNE-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP CC[N@H+]1CC[C@H](C[NH+](C)Cc2cnc(C)nc2)C1 ZINC000670446529 487495626 /nfs/dbraw/zinc/49/56/26/487495626.db2.gz MYRYECGDZWHWNE-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP CC[NH+]1CC[C@H](C[N@H+](C)Cc2cnc(C)nc2)C1 ZINC000670446529 487495633 /nfs/dbraw/zinc/49/56/33/487495633.db2.gz MYRYECGDZWHWNE-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000670446529 487495635 /nfs/dbraw/zinc/49/56/35/487495635.db2.gz MYRYECGDZWHWNE-CYBMUJFWSA-N 2 2 248.374 1.559 50 0 BDAALP C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccnc1 ZINC000670461194 487513818 /nfs/dbraw/zinc/51/38/18/487513818.db2.gz UMPKTYVXDGFHAW-KGLIPLIRSA-N 2 2 231.343 1.750 50 0 BDAALP C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccnc1 ZINC000670461194 487513821 /nfs/dbraw/zinc/51/38/21/487513821.db2.gz UMPKTYVXDGFHAW-KGLIPLIRSA-N 2 2 231.343 1.750 50 0 BDAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000670461194 487513824 /nfs/dbraw/zinc/51/38/24/487513824.db2.gz UMPKTYVXDGFHAW-KGLIPLIRSA-N 2 2 231.343 1.750 50 0 BDAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC000670461194 487513827 /nfs/dbraw/zinc/51/38/27/487513827.db2.gz UMPKTYVXDGFHAW-KGLIPLIRSA-N 2 2 231.343 1.750 50 0 BDAALP CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1[nH]cc[nH+]1 ZINC000244816876 522843050 /nfs/dbraw/zinc/84/30/50/522843050.db2.gz SQEKKEIGCAGPFK-NWDGAFQWSA-N 2 2 234.347 1.326 50 0 BDAALP CN(CC[N@H+]1C[C@H]2CC[C@@H]1C2)Cc1[nH]cc[nH+]1 ZINC000244816876 522843062 /nfs/dbraw/zinc/84/30/62/522843062.db2.gz SQEKKEIGCAGPFK-NWDGAFQWSA-N 2 2 234.347 1.326 50 0 BDAALP CC(C)c1cccc([C@@H]([NH3+])C2(O)C[NH2+]C2)c1 ZINC000958528424 635551734 /nfs/dbraw/zinc/55/17/34/635551734.db2.gz ROUNYVZGSWNHHB-GFCCVEGCSA-N 2 2 220.316 1.144 50 0 BDAALP C[C@@H]1C[NH+](C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000000220430 642761548 /nfs/dbraw/zinc/76/15/48/642761548.db2.gz DBPYSMQZAZRHAF-GHMZBOCLSA-N 2 2 212.337 1.190 50 0 BDAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]CCCn1cccn1 ZINC000952962157 644447328 /nfs/dbraw/zinc/44/73/28/644447328.db2.gz BZCQAFVTGNORQV-CYBMUJFWSA-N 2 2 247.346 1.538 50 0 BDAALP Cn1cc[nH+]c1CC[NH+]1CCC(F)CC1 ZINC001506400267 988771947 /nfs/dbraw/zinc/77/19/47/988771947.db2.gz BJDUYKIXDFCZBA-UHFFFAOYSA-N 2 2 211.284 1.397 50 0 BDAALP c1cn(CCCN2CCC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC001506404009 988772421 /nfs/dbraw/zinc/77/24/21/988772421.db2.gz DUERNDXUBGLIQU-AWEZNQCLSA-N 2 2 248.374 1.443 50 0 BDAALP c1cn(CCCN2CCC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC001506404009 988772431 /nfs/dbraw/zinc/77/24/31/988772431.db2.gz DUERNDXUBGLIQU-AWEZNQCLSA-N 2 2 248.374 1.443 50 0 BDAALP CC[NH+]1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000003683464 342736571 /nfs/dbraw/zinc/73/65/71/342736571.db2.gz JVOFYYDGNAVMGU-UHFFFAOYSA-N 3 2 241.423 1.648 50 0 BDAALP C[N@@H+]1CCC[C@@H](CCNc2cc[nH+]cc2F)C1 ZINC000584903785 342736718 /nfs/dbraw/zinc/73/67/18/342736718.db2.gz PGYRDOPXIPCBDY-NSHDSACASA-N 2 2 237.322 1.786 50 0 BDAALP C[N@H+]1CCC[C@@H](CCNc2cc[nH+]cc2F)C1 ZINC000584903785 342736720 /nfs/dbraw/zinc/73/67/20/342736720.db2.gz PGYRDOPXIPCBDY-NSHDSACASA-N 2 2 237.322 1.786 50 0 BDAALP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1F ZINC000036379497 343317097 /nfs/dbraw/zinc/31/70/97/343317097.db2.gz DTKJIYJVOIPGOX-UHFFFAOYSA-N 2 2 238.306 1.757 50 0 BDAALP CC[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000091908128 344286663 /nfs/dbraw/zinc/28/66/63/344286663.db2.gz TVDHNQDQTKWWSH-CYBMUJFWSA-N 2 2 219.332 1.656 50 0 BDAALP CC[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000091908128 344286665 /nfs/dbraw/zinc/28/66/65/344286665.db2.gz TVDHNQDQTKWWSH-CYBMUJFWSA-N 2 2 219.332 1.656 50 0 BDAALP CCc1[nH+]c(N)nc(NCc2[nH]c[nH+]c2C)c1C ZINC000095388400 344335849 /nfs/dbraw/zinc/33/58/49/344335849.db2.gz UQZHGVFNCREWJC-UHFFFAOYSA-N 2 2 246.318 1.573 50 0 BDAALP Cc1ccccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000002518408 179281253 /nfs/dbraw/zinc/28/12/53/179281253.db2.gz FCMLIHBRXOFVFY-UHFFFAOYSA-N 2 2 248.370 1.807 50 0 BDAALP Cc1cccn2c(C[NH2+][C@@H](C)CO)c[nH+]c12 ZINC000065508144 179354579 /nfs/dbraw/zinc/35/45/79/179354579.db2.gz FLKFVLLPLAPAAU-JTQLQIEISA-N 2 2 219.288 1.113 50 0 BDAALP CC(C)N(Cc1[nH+]ccn1C)[C@@H]1CCC[NH2+]C1 ZINC000067755815 187614187 /nfs/dbraw/zinc/61/41/87/187614187.db2.gz DTCRLRJKPOLLDC-GFCCVEGCSA-N 2 2 236.363 1.383 50 0 BDAALP COCc1[nH+]cc(C)n1[C@H]1CCC[NH2+]C1 ZINC000169793050 361130720 /nfs/dbraw/zinc/13/07/20/361130720.db2.gz GQPAGFFKBIWSOW-JTQLQIEISA-N 2 2 209.293 1.262 50 0 BDAALP [NH3+]CCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000034936161 181380816 /nfs/dbraw/zinc/38/08/16/181380816.db2.gz XBVJKHBMRMYZDU-ZDUSSCGKSA-N 2 2 220.316 1.409 50 0 BDAALP [NH3+]CCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000034936161 181380817 /nfs/dbraw/zinc/38/08/17/181380817.db2.gz XBVJKHBMRMYZDU-ZDUSSCGKSA-N 2 2 220.316 1.409 50 0 BDAALP CC[N@H+](CC1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000067758980 383944429 /nfs/dbraw/zinc/94/44/29/383944429.db2.gz XZTZYCWJCCPVGZ-ZDUSSCGKSA-N 2 2 226.364 1.487 50 0 BDAALP CC[N@@H+](CC1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000067758980 383944432 /nfs/dbraw/zinc/94/44/32/383944432.db2.gz XZTZYCWJCCPVGZ-ZDUSSCGKSA-N 2 2 226.364 1.487 50 0 BDAALP Cc1nn(C)cc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091381775 384126496 /nfs/dbraw/zinc/12/64/96/384126496.db2.gz AFCWDGHFAAQDFC-OLZOCXBDSA-N 2 2 236.363 1.144 50 0 BDAALP Cc1nn(C)cc1C[N@H+]1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091381775 384126499 /nfs/dbraw/zinc/12/64/99/384126499.db2.gz AFCWDGHFAAQDFC-OLZOCXBDSA-N 2 2 236.363 1.144 50 0 BDAALP CC[C@@H]1C[N@H+](CC)CCN1c1cc[nH+]c(C)n1 ZINC000408519739 384277700 /nfs/dbraw/zinc/27/77/00/384277700.db2.gz XEUJLECGSJQYLH-GFCCVEGCSA-N 2 2 234.347 1.706 50 0 BDAALP CC[C@@H]1C[N@@H+](CC)CCN1c1cc[nH+]c(C)n1 ZINC000408519739 384277709 /nfs/dbraw/zinc/27/77/09/384277709.db2.gz XEUJLECGSJQYLH-GFCCVEGCSA-N 2 2 234.347 1.706 50 0 BDAALP c1cn(CC2CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032238 384421492 /nfs/dbraw/zinc/42/14/92/384421492.db2.gz YBJCYZMJTCHDPI-LLVKDONJSA-N 2 2 205.305 1.760 50 0 BDAALP [NH3+]CCn1c2ccccc2[nH+]c1C1CC1 ZINC000020223147 384603931 /nfs/dbraw/zinc/60/39/31/384603931.db2.gz UKYQOEISFNOFKG-UHFFFAOYSA-N 2 2 201.273 1.872 50 0 BDAALP c1ccc(OCCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000052092149 384713186 /nfs/dbraw/zinc/71/31/86/384713186.db2.gz JYSVEBIGDHILDT-ZDUSSCGKSA-N 2 2 234.343 1.797 50 0 BDAALP CCCC[N@H+](C)CC[NH2+][C@@H]1CCSC1 ZINC000096477510 385197141 /nfs/dbraw/zinc/19/71/41/385197141.db2.gz SANASNARJZULAQ-LLVKDONJSA-N 2 2 216.394 1.813 50 0 BDAALP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCSC1 ZINC000096477510 385197147 /nfs/dbraw/zinc/19/71/47/385197147.db2.gz SANASNARJZULAQ-LLVKDONJSA-N 2 2 216.394 1.813 50 0 BDAALP c1cn(CCc2c[nH]c[nH+]2)c([C@H]2CCOC2)[nH+]1 ZINC000067884727 388408557 /nfs/dbraw/zinc/40/85/57/388408557.db2.gz LEJCIDZMNRHZKD-JTQLQIEISA-N 2 2 232.287 1.353 50 0 BDAALP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000298165448 388805733 /nfs/dbraw/zinc/80/57/33/388805733.db2.gz SXWVENNBAXJHRO-LBPRGKRZSA-N 2 2 225.311 1.787 50 0 BDAALP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](C)(F)C1 ZINC000298165448 388805734 /nfs/dbraw/zinc/80/57/34/388805734.db2.gz SXWVENNBAXJHRO-LBPRGKRZSA-N 2 2 225.311 1.787 50 0 BDAALP COC1CC[NH+](C[C@H]2CCCCC[NH2+]2)CC1 ZINC000081003027 174028758 /nfs/dbraw/zinc/02/87/58/174028758.db2.gz KXAONAVGWIVBAM-GFCCVEGCSA-N 2 2 226.364 1.629 50 0 BDAALP COCC1([NH2+][C@@H]2CCC[NH2+]C2)CCCC1 ZINC000067697006 174111540 /nfs/dbraw/zinc/11/15/40/174111540.db2.gz BWUHPZNPLZPRRW-LLVKDONJSA-N 2 2 212.337 1.287 50 0 BDAALP COc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000019366941 175258515 /nfs/dbraw/zinc/25/85/15/175258515.db2.gz DQLMGHXVUWMDGK-UHFFFAOYSA-N 2 2 220.316 1.491 50 0 BDAALP COc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000019366941 175258517 /nfs/dbraw/zinc/25/85/17/175258517.db2.gz DQLMGHXVUWMDGK-UHFFFAOYSA-N 2 2 220.316 1.491 50 0 BDAALP COc1ccccc1[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000038337195 175345697 /nfs/dbraw/zinc/34/56/97/175345697.db2.gz POEBBICUEKUPHT-GFCCVEGCSA-N 2 2 220.316 1.791 50 0 BDAALP COc1ccccc1[C@H](C[NH3+])[NH+]1CCCC1 ZINC000038337196 175353053 /nfs/dbraw/zinc/35/30/53/175353053.db2.gz POEBBICUEKUPHT-LBPRGKRZSA-N 2 2 220.316 1.791 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CC[C@H](C)[C@H]1[NH3+] ZINC000757216225 582561906 /nfs/dbraw/zinc/56/19/06/582561906.db2.gz ZDBPZWQXJQAQFU-PCTYZZJISA-N 2 2 244.342 1.869 50 0 BDAALP CC(C)c1cccc([C@H]([NH3+])C2(O)C[NH2+]C2)c1 ZINC000958528427 635552068 /nfs/dbraw/zinc/55/20/68/635552068.db2.gz ROUNYVZGSWNHHB-LBPRGKRZSA-N 2 2 220.316 1.144 50 0 BDAALP c1c[nH+]c(CCCN2CC[N@@H+]3CCCC[C@H]3C2)[nH]1 ZINC000952883040 974063197 /nfs/dbraw/zinc/06/31/97/974063197.db2.gz MEYKHTSGEUZZDU-ZDUSSCGKSA-N 2 2 248.374 1.512 50 0 BDAALP c1c[nH+]c(CCCN2CC[N@H+]3CCCC[C@H]3C2)[nH]1 ZINC000952883040 974063199 /nfs/dbraw/zinc/06/31/99/974063199.db2.gz MEYKHTSGEUZZDU-ZDUSSCGKSA-N 2 2 248.374 1.512 50 0 BDAALP CC[N@H+](CCCn1cc[nH+]c1)CCn1cccn1 ZINC001506419479 988779322 /nfs/dbraw/zinc/77/93/22/988779322.db2.gz CRXKDABVHUHRRN-UHFFFAOYSA-N 2 2 247.346 1.492 50 0 BDAALP CC[N@@H+](CCCn1cc[nH+]c1)CCn1cccn1 ZINC001506419479 988779335 /nfs/dbraw/zinc/77/93/35/988779335.db2.gz CRXKDABVHUHRRN-UHFFFAOYSA-N 2 2 247.346 1.492 50 0 BDAALP Cc1cc(NC(=O)N(C)CC[NH+](C)C)cc[nH+]1 ZINC000095981930 178136181 /nfs/dbraw/zinc/13/61/81/178136181.db2.gz BWNVUINVHILLIZ-UHFFFAOYSA-N 2 2 236.319 1.415 50 0 BDAALP C[N@H+]([C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000000757542 342692309 /nfs/dbraw/zinc/69/23/09/342692309.db2.gz VGCCPBYPVNTBIK-LLVKDONJSA-N 2 2 214.378 1.518 50 0 BDAALP C[N@@H+]([C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000000757542 342692311 /nfs/dbraw/zinc/69/23/11/342692311.db2.gz VGCCPBYPVNTBIK-LLVKDONJSA-N 2 2 214.378 1.518 50 0 BDAALP [NH3+][C@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000012397755 342851268 /nfs/dbraw/zinc/85/12/68/342851268.db2.gz IVUZMSKFADOAKT-CYBMUJFWSA-N 2 2 220.316 1.409 50 0 BDAALP Cn1c[nH+]cc1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000067587271 398329109 /nfs/dbraw/zinc/32/91/09/398329109.db2.gz MKNDXEFCGLBYHU-JTQLQIEISA-N 2 2 229.283 1.349 50 0 BDAALP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2ccccc2[nH]1 ZINC000019272152 342944985 /nfs/dbraw/zinc/94/49/85/342944985.db2.gz NCYRLNWTVLLSHF-SECBINFHSA-N 2 2 227.271 1.529 50 0 BDAALP [NH3+][C@H](Cc1c[nH]c[nH+]1)c1nc2ccccc2[nH]1 ZINC000019272152 342944987 /nfs/dbraw/zinc/94/49/87/342944987.db2.gz NCYRLNWTVLLSHF-SECBINFHSA-N 2 2 227.271 1.529 50 0 BDAALP [NH3+][C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019735501 342955458 /nfs/dbraw/zinc/95/54/58/342955458.db2.gz ALZNTTNEPUYCSX-ZDUSSCGKSA-N 2 2 204.317 1.652 50 0 BDAALP [NH3+][C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000019735501 342955459 /nfs/dbraw/zinc/95/54/59/342955459.db2.gz ALZNTTNEPUYCSX-ZDUSSCGKSA-N 2 2 204.317 1.652 50 0 BDAALP C[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000020138872 342971707 /nfs/dbraw/zinc/97/17/07/342971707.db2.gz ISKKJDIJKWZVRN-UHFFFAOYSA-N 2 2 210.346 1.932 50 0 BDAALP Nc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000020586079 342991697 /nfs/dbraw/zinc/99/16/97/342991697.db2.gz HAOOJQHDJVIABJ-UHFFFAOYSA-N 2 2 241.298 1.905 50 0 BDAALP CSc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000034938067 343281543 /nfs/dbraw/zinc/28/15/43/343281543.db2.gz DCASTUBNJWSRPB-LLVKDONJSA-N 2 2 210.346 1.970 50 0 BDAALP CCc1c[nH+]c(N)nc1NCC[NH+]1CCCCC1 ZINC000091943013 344286861 /nfs/dbraw/zinc/28/68/61/344286861.db2.gz AVBVILOAWMFYPN-UHFFFAOYSA-N 2 2 249.362 1.519 50 0 BDAALP CC[NH+]1CCC([NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC000038098099 344781346 /nfs/dbraw/zinc/78/13/46/344781346.db2.gz ZWNWGSCKPICMDU-UHFFFAOYSA-N 2 2 236.363 1.600 50 0 BDAALP Cc1ccccc1[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000023093519 179328554 /nfs/dbraw/zinc/32/85/54/179328554.db2.gz NJVXTICIQNKNSS-GFCCVEGCSA-N 2 2 204.317 1.743 50 0 BDAALP Cc1ccccc1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000023093519 179328557 /nfs/dbraw/zinc/32/85/57/179328557.db2.gz NJVXTICIQNKNSS-GFCCVEGCSA-N 2 2 204.317 1.743 50 0 BDAALP Cc1[nH+]c2ccccc2n1[C@@H]1CC[NH2+]C1 ZINC000051783664 350110426 /nfs/dbraw/zinc/11/04/26/350110426.db2.gz MQKMMOMIRYDQJX-SNVBAGLBSA-N 2 2 201.273 1.879 50 0 BDAALP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000089818140 538584863 /nfs/dbraw/zinc/58/48/63/538584863.db2.gz HLAQHWSHGUDRIP-CYBMUJFWSA-N 2 2 238.375 1.772 50 0 BDAALP C1CCC([N@H+]2CC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000089818140 538584872 /nfs/dbraw/zinc/58/48/72/538584872.db2.gz HLAQHWSHGUDRIP-CYBMUJFWSA-N 2 2 238.375 1.772 50 0 BDAALP OC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000125248485 183148609 /nfs/dbraw/zinc/14/86/09/183148609.db2.gz UYDBXBKOFUFCJW-OLZOCXBDSA-N 2 2 237.347 1.414 50 0 BDAALP c1cc(C[NH2+]CC[NH+]2CCCC2)cs1 ZINC000020126778 183350182 /nfs/dbraw/zinc/35/01/82/183350182.db2.gz XUJLQMYDDJQGIZ-UHFFFAOYSA-N 2 2 210.346 1.934 50 0 BDAALP C[N@H+](CC[NH3+])Cc1ccccc1C[NH+]1CCCC1 ZINC000067908832 383960088 /nfs/dbraw/zinc/96/00/88/383960088.db2.gz MADYODANUZTIEY-UHFFFAOYSA-N 3 2 247.386 1.673 50 0 BDAALP C[N@@H+](CC[NH3+])Cc1ccccc1C[NH+]1CCCC1 ZINC000067908832 383960095 /nfs/dbraw/zinc/96/00/95/383960095.db2.gz MADYODANUZTIEY-UHFFFAOYSA-N 3 2 247.386 1.673 50 0 BDAALP c1cn(Cc2cccnc2)c(C2CC[NH2+]CC2)[nH+]1 ZINC000096032236 384422185 /nfs/dbraw/zinc/42/21/85/384422185.db2.gz IUQPTUSMJRXNMZ-UHFFFAOYSA-N 2 2 242.326 1.793 50 0 BDAALP Cn1ccnc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084331639 384390184 /nfs/dbraw/zinc/39/01/84/384390184.db2.gz VILOUEGRDKWFLO-NSHDSACASA-N 2 2 245.330 1.284 50 0 BDAALP [NH3+]C[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000050247961 384612470 /nfs/dbraw/zinc/61/24/70/384612470.db2.gz KQJCNVRABDDBPB-SNVBAGLBSA-N 2 2 230.315 1.344 50 0 BDAALP [NH3+]C[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000050247961 384612476 /nfs/dbraw/zinc/61/24/76/384612476.db2.gz KQJCNVRABDDBPB-SNVBAGLBSA-N 2 2 230.315 1.344 50 0 BDAALP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000095422880 384910711 /nfs/dbraw/zinc/91/07/11/384910711.db2.gz SOWNJVOVVPZNRA-UONOGXRCSA-N 2 2 242.407 1.979 50 0 BDAALP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000095422878 384912151 /nfs/dbraw/zinc/91/21/51/384912151.db2.gz SOWNJVOVVPZNRA-ZIAGYGMSSA-N 2 2 242.407 1.979 50 0 BDAALP CO[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182748968 385701393 /nfs/dbraw/zinc/70/13/93/385701393.db2.gz MMGLONDXLKWPQQ-GFCCVEGCSA-N 2 2 223.320 1.384 50 0 BDAALP CO[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182748968 385701399 /nfs/dbraw/zinc/70/13/99/385701399.db2.gz MMGLONDXLKWPQQ-GFCCVEGCSA-N 2 2 223.320 1.384 50 0 BDAALP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000050227773 387924216 /nfs/dbraw/zinc/92/42/16/387924216.db2.gz AJIVUONCSPBTEM-CYBMUJFWSA-N 2 2 204.317 1.836 50 0 BDAALP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000050227773 387924224 /nfs/dbraw/zinc/92/42/24/387924224.db2.gz AJIVUONCSPBTEM-CYBMUJFWSA-N 2 2 204.317 1.836 50 0 BDAALP CCCc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000007263079 132318592 /nfs/dbraw/zinc/31/85/92/132318592.db2.gz YHLFCBMBUPJHRF-UHFFFAOYSA-N 2 2 220.320 1.147 50 0 BDAALP CC[N@@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069797617 170005231 /nfs/dbraw/zinc/00/52/31/170005231.db2.gz IHYHVOPKIDYLEC-STQMWFEESA-N 2 2 220.316 1.407 50 0 BDAALP CC[N@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069797617 170005233 /nfs/dbraw/zinc/00/52/33/170005233.db2.gz IHYHVOPKIDYLEC-STQMWFEESA-N 2 2 220.316 1.407 50 0 BDAALP C[C@@H](CN[NH2+][C@@H](C)Cc1ccccc1)C[NH+](C)C ZINC000071773090 175773423 /nfs/dbraw/zinc/77/34/23/175773423.db2.gz AMWQKRZOKPAZHA-KBPBESRZSA-N 2 2 249.402 1.910 50 0 BDAALP C[C@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000253427133 524564733 /nfs/dbraw/zinc/56/47/33/524564733.db2.gz GMPSUFVCWGMMMS-GFCCVEGCSA-N 2 2 249.358 1.016 50 0 BDAALP CCNc1cc[nH+]c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000065373111 535527352 /nfs/dbraw/zinc/52/73/52/535527352.db2.gz VSUUWGXKIDEHSI-LLVKDONJSA-N 2 2 247.346 1.193 50 0 BDAALP CCNc1cc[nH+]c(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000065373111 535527359 /nfs/dbraw/zinc/52/73/59/535527359.db2.gz VSUUWGXKIDEHSI-LLVKDONJSA-N 2 2 247.346 1.193 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CCC[C@@H]1[NH3+] ZINC000757216221 586441277 /nfs/dbraw/zinc/44/12/77/586441277.db2.gz ZCHFYUIOTSZBTK-AAEUAGOBSA-N 2 2 230.315 1.623 50 0 BDAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]CCCn1cccn1 ZINC000952962160 644445360 /nfs/dbraw/zinc/44/53/60/644445360.db2.gz BZCQAFVTGNORQV-ZDUSSCGKSA-N 2 2 247.346 1.538 50 0 BDAALP c1cn([C@@H]2CCC[C@@H]2[NH2+]C2CCOCC2)c[nH+]1 ZINC000037106387 538961766 /nfs/dbraw/zinc/96/17/66/538961766.db2.gz XQLSHRWPTKXEHA-QWHCGFSZSA-N 2 2 235.331 1.745 50 0 BDAALP Cc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1 ZINC000019370650 342947457 /nfs/dbraw/zinc/94/74/57/342947457.db2.gz HIWVTHJOUYZDGL-LBPRGKRZSA-N 2 2 222.332 1.055 50 0 BDAALP CC[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000019956983 342964333 /nfs/dbraw/zinc/96/43/33/342964333.db2.gz TXBULJOMSCUYSB-UHFFFAOYSA-N 2 2 219.332 1.656 50 0 BDAALP C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000020230819 342978054 /nfs/dbraw/zinc/97/80/54/342978054.db2.gz JZMYRFZAMCXUIF-UHFFFAOYSA-N 2 2 220.316 1.238 50 0 in-vitro BDAALP C[C@@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000035602161 343299229 /nfs/dbraw/zinc/29/92/29/343299229.db2.gz WIZHUUSXTOOWCZ-ZFWWWQNUSA-N 2 2 248.370 1.621 50 0 BDAALP C[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000035602161 343299231 /nfs/dbraw/zinc/29/92/31/343299231.db2.gz WIZHUUSXTOOWCZ-ZFWWWQNUSA-N 2 2 248.370 1.621 50 0 BDAALP Cc1[nH]c2ccc(NC(=O)C3C[NH2+]C3)cc2[nH+]1 ZINC000072344624 180094017 /nfs/dbraw/zinc/09/40/17/180094017.db2.gz GBQRQXONSZHMOS-UHFFFAOYSA-N 2 2 230.271 1.029 50 0 BDAALP CC1(C)[NH2+]CC[C@H]1[NH2+]CCNc1cccnc1 ZINC000067725158 188304743 /nfs/dbraw/zinc/30/47/43/188304743.db2.gz KXPYRLJNTZKEHN-GFCCVEGCSA-N 2 2 234.347 1.224 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CN1C ZINC000095420365 538603747 /nfs/dbraw/zinc/60/37/47/538603747.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 2 2 237.391 1.295 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CN1C ZINC000095420365 538603752 /nfs/dbraw/zinc/60/37/52/538603752.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 2 2 237.391 1.295 50 0 BDAALP CC(C)CN1CCc2[nH+]c[nH]c2C12CC[NH2+]CC2 ZINC000253495362 359328925 /nfs/dbraw/zinc/32/89/25/359328925.db2.gz ASDWXQUVMVMUDF-UHFFFAOYSA-N 2 2 248.374 1.503 50 0 BDAALP [NH3+]C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000037757002 181344702 /nfs/dbraw/zinc/34/47/02/181344702.db2.gz JKXGKJVEEBYFMK-UHFFFAOYSA-N 2 2 216.288 1.490 50 0 BDAALP [NH3+]CC1([NH+]2CCOCC2)CCCCCC1 ZINC000023094276 181360867 /nfs/dbraw/zinc/36/08/67/181360867.db2.gz ZPRFTDXBLRVQJG-UHFFFAOYSA-N 2 2 212.337 1.370 50 0 BDAALP [NH3+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000019367229 181392237 /nfs/dbraw/zinc/39/22/37/181392237.db2.gz PCNDXYHWLSHXMV-UHFFFAOYSA-N 2 2 218.344 1.900 50 0 in-vitro BDAALP CC(C)N(Cc1[nH+]ccn1C)[C@H]1CCC[NH2+]C1 ZINC000067755818 383943465 /nfs/dbraw/zinc/94/34/65/383943465.db2.gz DTCRLRJKPOLLDC-LBPRGKRZSA-N 2 2 236.363 1.383 50 0 BDAALP Cc1cccc(N2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000157272244 384300599 /nfs/dbraw/zinc/30/05/99/384300599.db2.gz IKLWFEMGSOYOQN-UHFFFAOYSA-N 2 2 217.316 1.674 50 0 BDAALP C[NH+](C)C[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000012955313 384343163 /nfs/dbraw/zinc/34/31/63/384343163.db2.gz BACUERBVBVPLKR-GFCCVEGCSA-N 3 2 225.380 1.012 50 0 BDAALP C[NH+](C)C[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000012955313 384343166 /nfs/dbraw/zinc/34/31/66/384343166.db2.gz BACUERBVBVPLKR-GFCCVEGCSA-N 3 2 225.380 1.012 50 0 BDAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccnc1)CCC2 ZINC000084425081 384398270 /nfs/dbraw/zinc/39/82/70/384398270.db2.gz JZLVJODYCIFPJQ-CYBMUJFWSA-N 2 2 242.326 1.945 50 0 BDAALP Cc1c[nH]c(CN(C)C[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000097694603 384546359 /nfs/dbraw/zinc/54/63/59/384546359.db2.gz FMCCOKCNGBHMHQ-GFCCVEGCSA-N 2 2 236.363 1.492 50 0 BDAALP Cc1c[nH]c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000097694603 384546364 /nfs/dbraw/zinc/54/63/64/384546364.db2.gz FMCCOKCNGBHMHQ-GFCCVEGCSA-N 2 2 236.363 1.492 50 0 BDAALP c1cn(CCC[NH2+][C@@H]2CCSC2)c[nH+]1 ZINC000002498924 384571916 /nfs/dbraw/zinc/57/19/16/384571916.db2.gz XXYSQCSZIHXPEC-SNVBAGLBSA-N 2 2 211.334 1.368 50 0 BDAALP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC000127941055 384925065 /nfs/dbraw/zinc/92/50/65/384925065.db2.gz ULAZLSDVKZZYMG-MNOVXSKESA-N 2 2 216.394 1.810 50 0 BDAALP CS[C@H](C)C[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC000127941055 384925074 /nfs/dbraw/zinc/92/50/74/384925074.db2.gz ULAZLSDVKZZYMG-MNOVXSKESA-N 2 2 216.394 1.810 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000032915228 385190995 /nfs/dbraw/zinc/19/09/95/385190995.db2.gz LODPYENASSOOBD-OLZOCXBDSA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000032915228 385191002 /nfs/dbraw/zinc/19/10/02/385191002.db2.gz LODPYENASSOOBD-OLZOCXBDSA-N 2 2 202.301 1.480 50 0 BDAALP CC[N@H+](CCn1cc[nH+]c1)Cc1ccncc1 ZINC000267905036 386598554 /nfs/dbraw/zinc/59/85/54/386598554.db2.gz MNDLSPAEHMRFGO-UHFFFAOYSA-N 2 2 230.315 1.800 50 0 BDAALP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccncc1 ZINC000267905036 386598563 /nfs/dbraw/zinc/59/85/63/386598563.db2.gz MNDLSPAEHMRFGO-UHFFFAOYSA-N 2 2 230.315 1.800 50 0 BDAALP CO[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000308399173 388437664 /nfs/dbraw/zinc/43/76/64/388437664.db2.gz UYWLCTIRLWUZQC-NWDGAFQWSA-N 2 2 235.331 1.430 50 0 BDAALP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCC[NH+](C)C ZINC000095995931 388801083 /nfs/dbraw/zinc/80/10/83/388801083.db2.gz HUDNQOFXAQMDLH-NSHDSACASA-N 2 2 243.395 1.173 50 0 BDAALP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC[NH+](C)C ZINC000095995931 388801087 /nfs/dbraw/zinc/80/10/87/388801087.db2.gz HUDNQOFXAQMDLH-NSHDSACASA-N 2 2 243.395 1.173 50 0 BDAALP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCC[NH+](C)C ZINC000095995932 388801162 /nfs/dbraw/zinc/80/11/62/388801162.db2.gz HUDNQOFXAQMDLH-LLVKDONJSA-N 2 2 243.395 1.173 50 0 BDAALP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC[NH+](C)C ZINC000095995932 388801167 /nfs/dbraw/zinc/80/11/67/388801167.db2.gz HUDNQOFXAQMDLH-LLVKDONJSA-N 2 2 243.395 1.173 50 0 BDAALP Cc1noc(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408367 388759241 /nfs/dbraw/zinc/75/92/41/388759241.db2.gz MWBGWRCKXKXMNE-GFCCVEGCSA-N 2 2 249.358 1.865 50 0 BDAALP Cc1noc(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408367 388759245 /nfs/dbraw/zinc/75/92/45/388759245.db2.gz MWBGWRCKXKXMNE-GFCCVEGCSA-N 2 2 249.358 1.865 50 0 BDAALP CCCc1nc(N2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000016606540 132323362 /nfs/dbraw/zinc/32/33/62/132323362.db2.gz BIKVDJQIBMRATE-UHFFFAOYSA-N 2 2 234.347 1.489 50 0 BDAALP CCCc1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)[nH+]1 ZINC000065372802 132389656 /nfs/dbraw/zinc/38/96/56/132389656.db2.gz PYKUZMGWQKZFQY-TXEJJXNPSA-N 2 2 246.358 1.678 50 0 BDAALP CC(C)C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000006550640 167005964 /nfs/dbraw/zinc/00/59/64/167005964.db2.gz JYLDLRCXCSIDDJ-CYBMUJFWSA-N 2 2 228.380 1.589 50 0 BDAALP CC(C)C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000006550640 167005965 /nfs/dbraw/zinc/00/59/65/167005965.db2.gz JYLDLRCXCSIDDJ-CYBMUJFWSA-N 2 2 228.380 1.589 50 0 BDAALP CCn1cc[nH+]c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247565266 523537532 /nfs/dbraw/zinc/53/75/32/523537532.db2.gz GNALHFPBKHYHJS-LBPRGKRZSA-N 2 2 234.347 1.183 50 0 BDAALP CCn1cc[nH+]c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247565266 523537539 /nfs/dbraw/zinc/53/75/39/523537539.db2.gz GNALHFPBKHYHJS-LBPRGKRZSA-N 2 2 234.347 1.183 50 0 BDAALP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071372321 592265032 /nfs/dbraw/zinc/26/50/32/592265032.db2.gz LKKXFOJWYTZUTH-YPMHNXCESA-N 2 2 220.316 1.235 50 0 BDAALP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071372321 592265048 /nfs/dbraw/zinc/26/50/48/592265048.db2.gz LKKXFOJWYTZUTH-YPMHNXCESA-N 2 2 220.316 1.235 50 0 BDAALP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071372320 592266010 /nfs/dbraw/zinc/26/60/10/592266010.db2.gz LKKXFOJWYTZUTH-AAEUAGOBSA-N 2 2 220.316 1.235 50 0 BDAALP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071372320 592266013 /nfs/dbraw/zinc/26/60/13/592266013.db2.gz LKKXFOJWYTZUTH-AAEUAGOBSA-N 2 2 220.316 1.235 50 0 BDAALP C[N@H+](CCCn1cccn1)CCn1cc[nH+]c1 ZINC001506398856 988772161 /nfs/dbraw/zinc/77/21/61/988772161.db2.gz VIBPWYXLNKXDQZ-UHFFFAOYSA-N 2 2 233.319 1.102 50 0 BDAALP C[N@@H+](CCCn1cccn1)CCn1cc[nH+]c1 ZINC001506398856 988772170 /nfs/dbraw/zinc/77/21/70/988772170.db2.gz VIBPWYXLNKXDQZ-UHFFFAOYSA-N 2 2 233.319 1.102 50 0 BDAALP Cn1cc[nH+]c1C[C@H]([NH3+])c1ccccc1 ZINC000020442313 342985347 /nfs/dbraw/zinc/98/53/47/342985347.db2.gz FCQJZGCFXNHCHP-NSHDSACASA-N 2 2 201.273 1.663 50 0 BDAALP [NH3+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000038536675 343376244 /nfs/dbraw/zinc/37/62/44/343376244.db2.gz YDLCAQYNXGDYTM-ZDUSSCGKSA-N 2 2 204.317 1.652 50 0 BDAALP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000022942123 188282907 /nfs/dbraw/zinc/28/29/07/188282907.db2.gz XCAHYEUISIUALY-NSHDSACASA-N 2 2 206.289 1.228 50 0 BDAALP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000022942123 188282908 /nfs/dbraw/zinc/28/29/08/188282908.db2.gz XCAHYEUISIUALY-NSHDSACASA-N 2 2 206.289 1.228 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000405692991 354842765 /nfs/dbraw/zinc/84/27/65/354842765.db2.gz DWZMTVBMIJZWLS-YRGRVCCFSA-N 2 2 234.343 1.946 50 0 BDAALP C1CC1[N@@H+]1CC[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000250877480 541441021 /nfs/dbraw/zinc/44/10/21/541441021.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000250877480 541441025 /nfs/dbraw/zinc/44/10/25/541441025.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250877480 541441029 /nfs/dbraw/zinc/44/10/29/541441029.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250877480 541441033 /nfs/dbraw/zinc/44/10/33/541441033.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250877480 541441037 /nfs/dbraw/zinc/44/10/37/541441037.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250877480 541441042 /nfs/dbraw/zinc/44/10/42/541441042.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 2 2 249.402 1.440 50 0 BDAALP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCOC3)[nH]c2c1 ZINC000088693795 368381829 /nfs/dbraw/zinc/38/18/29/368381829.db2.gz OISGABZDXHPYKA-LLVKDONJSA-N 2 2 245.326 1.874 50 0 BDAALP CCC[NH+]1CCC([NH2+]CCN(C)C)CC1 ZINC000019637324 169188292 /nfs/dbraw/zinc/18/82/92/169188292.db2.gz VFUNPRGSCWGAJX-UHFFFAOYSA-N 2 2 213.369 1.012 50 0 BDAALP CC[C@@H](CO)[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000097096510 384334164 /nfs/dbraw/zinc/33/41/64/384334164.db2.gz XWTNTHCFTSJZBF-ZDUSSCGKSA-N 2 2 249.358 1.283 50 0 BDAALP c1cn(CC2CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032239 384421758 /nfs/dbraw/zinc/42/17/58/384421758.db2.gz YBJCYZMJTCHDPI-NSHDSACASA-N 2 2 205.305 1.760 50 0 BDAALP [NH3+]C[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000050247963 384611756 /nfs/dbraw/zinc/61/17/56/384611756.db2.gz KQJCNVRABDDBPB-JTQLQIEISA-N 2 2 230.315 1.344 50 0 BDAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000050247963 384611761 /nfs/dbraw/zinc/61/17/61/384611761.db2.gz KQJCNVRABDDBPB-JTQLQIEISA-N 2 2 230.315 1.344 50 0 BDAALP C[NH+](C)CCn1c[nH+]c2cc(N)ccc21 ZINC000052842593 384750041 /nfs/dbraw/zinc/75/00/41/384750041.db2.gz YLOBSTTUHFWDNB-UHFFFAOYSA-N 2 2 204.277 1.180 50 0 BDAALP c1ccc(C[N@@H+]2C[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000034453819 385281160 /nfs/dbraw/zinc/28/11/60/385281160.db2.gz HSZHVFDKBROTBA-CHWSQXEVSA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@H+]2C[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000034453819 385281163 /nfs/dbraw/zinc/28/11/63/385281163.db2.gz HSZHVFDKBROTBA-CHWSQXEVSA-N 2 2 202.301 1.480 50 0 BDAALP CO[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182748991 385700689 /nfs/dbraw/zinc/70/06/89/385700689.db2.gz MMGLONDXLKWPQQ-LBPRGKRZSA-N 2 2 223.320 1.384 50 0 BDAALP CO[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182748991 385700692 /nfs/dbraw/zinc/70/06/92/385700692.db2.gz MMGLONDXLKWPQQ-LBPRGKRZSA-N 2 2 223.320 1.384 50 0 BDAALP C[C@H](Cc1ccccc1)[NH2+]NCCC[NH+](C)C ZINC000071773109 385939648 /nfs/dbraw/zinc/93/96/48/385939648.db2.gz XGIITDYLRBIRTB-CYBMUJFWSA-N 2 2 235.375 1.664 50 0 BDAALP c1ccc(N2CCN(c3cccc[nH+]3)CC2)[nH+]c1 ZINC000006863656 132318390 /nfs/dbraw/zinc/31/83/90/132318390.db2.gz GMNOIEBLHFKZLT-UHFFFAOYSA-N 2 2 240.310 1.803 50 0 BDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1[nH]nc2c1CCC2 ZINC000067805028 134398407 /nfs/dbraw/zinc/39/84/07/134398407.db2.gz AKJJTBJVEKNXOA-SNVBAGLBSA-N 2 2 245.330 1.273 50 0 BDAALP COc1ccccc1C[C@H](C)[NH2+]CC[NH+](C)C ZINC000022455711 175333002 /nfs/dbraw/zinc/33/30/02/175333002.db2.gz XNEYBSOUVRTVLD-LBPRGKRZSA-N 2 2 236.359 1.777 50 0 BDAALP COc1ccccc1NC1=[NH+]C(C)(C)NC(=[NH2+])N1 ZINC000003194663 175337108 /nfs/dbraw/zinc/33/71/08/175337108.db2.gz FGYZNLXWFDNKDG-UHFFFAOYSA-N 2 2 247.302 1.327 50 0 BDAALP CCC1=NO[C@@H](C[N@@H+]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000670433920 487485528 /nfs/dbraw/zinc/48/55/28/487485528.db2.gz DXHUNOPLFRMNKB-LLVKDONJSA-N 2 2 248.330 1.631 50 0 BDAALP CCC1=NO[C@@H](C[N@H+]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000670433920 487485530 /nfs/dbraw/zinc/48/55/30/487485530.db2.gz DXHUNOPLFRMNKB-LLVKDONJSA-N 2 2 248.330 1.631 50 0 BDAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2 ZINC000670445134 487493674 /nfs/dbraw/zinc/49/36/74/487493674.db2.gz RQPATKFQOUCXTD-STQMWFEESA-N 2 2 248.374 1.634 50 0 BDAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000670445134 487493680 /nfs/dbraw/zinc/49/36/80/487493680.db2.gz RQPATKFQOUCXTD-STQMWFEESA-N 2 2 248.374 1.634 50 0 BDAALP Cc1nc(C[N@H+](C)CCCn2cc[nH+]c2C)no1 ZINC000136298303 488177088 /nfs/dbraw/zinc/17/70/88/488177088.db2.gz AGWDZXQMGOQGLO-UHFFFAOYSA-N 2 2 249.318 1.405 50 0 BDAALP Cc1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)no1 ZINC000136298303 488177090 /nfs/dbraw/zinc/17/70/90/488177090.db2.gz AGWDZXQMGOQGLO-UHFFFAOYSA-N 2 2 249.318 1.405 50 0 BDAALP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCc1[nH]cc[nH+]1 ZINC000821181750 968484845 /nfs/dbraw/zinc/48/48/45/968484845.db2.gz KNZZNSHRQKBIEN-NSHDSACASA-N 3 2 247.346 1.526 50 0 BDAALP CCc1cc(N2CC([NH+](C)C)C2)nc(C)[nH+]1 ZINC000241657616 398161086 /nfs/dbraw/zinc/16/10/86/398161086.db2.gz PXTNLKRMCFKVTJ-UHFFFAOYSA-N 2 2 220.320 1.098 50 0 BDAALP Cc1[nH]cc(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)[nH+]1 ZINC000067868215 178282250 /nfs/dbraw/zinc/28/22/50/178282250.db2.gz HSHCSBLHNAVKLQ-NSHDSACASA-N 2 2 243.310 1.956 50 0 BDAALP C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000012370279 342850500 /nfs/dbraw/zinc/85/05/00/342850500.db2.gz NQYIUMFIFGLIIN-UHFFFAOYSA-N 2 2 201.273 1.651 50 0 BDAALP COc1ccc([C@H](C[NH3+])[NH+](C)C)cc1OC ZINC000032497098 343236467 /nfs/dbraw/zinc/23/64/67/343236467.db2.gz UEMUYGSFWRCGFY-JTQLQIEISA-N 2 2 224.304 1.265 50 0 BDAALP Cn1cc([C@H](C[NH3+])[NH+](C)C)c2ccccc21 ZINC000041230474 343417358 /nfs/dbraw/zinc/41/73/58/343417358.db2.gz ZJZKBTKAHBXKSR-ZDUSSCGKSA-N 2 2 217.316 1.740 50 0 BDAALP CCc1nc(C)sc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067723489 343902073 /nfs/dbraw/zinc/90/20/73/343902073.db2.gz XXLFVRQZSQBJJY-SNVBAGLBSA-N 2 2 239.388 1.856 50 0 BDAALP Cc1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000023093520 179346622 /nfs/dbraw/zinc/34/66/22/179346622.db2.gz NJVXTICIQNKNSS-LBPRGKRZSA-N 2 2 204.317 1.743 50 0 BDAALP Cc1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000023093520 179346624 /nfs/dbraw/zinc/34/66/24/179346624.db2.gz NJVXTICIQNKNSS-LBPRGKRZSA-N 2 2 204.317 1.743 50 0 BDAALP CN(C[C@@H]1CCC[N@H+](C)C1)c1cccc[nH+]1 ZINC000098013106 191061713 /nfs/dbraw/zinc/06/17/13/191061713.db2.gz IYEUCLZXFMVMTO-GFCCVEGCSA-N 2 2 219.332 1.860 50 0 BDAALP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccc[nH+]1 ZINC000098013106 191061715 /nfs/dbraw/zinc/06/17/15/191061715.db2.gz IYEUCLZXFMVMTO-GFCCVEGCSA-N 2 2 219.332 1.860 50 0 BDAALP Cc1ncsc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168788309 180315776 /nfs/dbraw/zinc/31/57/76/180315776.db2.gz DQPPXHXQGFZIHH-SECBINFHSA-N 2 2 211.334 1.375 50 0 BDAALP Cc1ncsc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168788309 180315777 /nfs/dbraw/zinc/31/57/77/180315777.db2.gz DQPPXHXQGFZIHH-SECBINFHSA-N 2 2 211.334 1.375 50 0 BDAALP COc1ccc2[nH]c(CCC[NH3+])[nH+]c2c1 ZINC000019737148 188281856 /nfs/dbraw/zinc/28/18/56/188281856.db2.gz UFXLAXGCSCHCGO-UHFFFAOYSA-N 2 2 205.261 1.463 50 0 BDAALP COc1ccc(C[NH+]2CCC([NH3+])CC2)cn1 ZINC000040434980 188291735 /nfs/dbraw/zinc/29/17/35/188291735.db2.gz MMUPEBGOMNSFTR-UHFFFAOYSA-N 2 2 221.304 1.013 50 0 BDAALP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000089598167 188304140 /nfs/dbraw/zinc/30/41/40/188304140.db2.gz DVZFSOAQQXQEBW-ZDUSSCGKSA-N 2 2 224.348 1.239 50 0 BDAALP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000089598167 188304142 /nfs/dbraw/zinc/30/41/42/188304142.db2.gz DVZFSOAQQXQEBW-ZDUSSCGKSA-N 2 2 224.348 1.239 50 0 BDAALP Cc1cccc(NC[C@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000097096485 188365892 /nfs/dbraw/zinc/36/58/92/188365892.db2.gz YLJBNQPLVIERHF-LBPRGKRZSA-N 2 2 249.358 1.770 50 0 BDAALP C[N@H+](Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000006661768 356367762 /nfs/dbraw/zinc/36/77/62/356367762.db2.gz YMGDVAWUAJTADF-UHFFFAOYSA-N 2 2 219.332 1.608 50 0 BDAALP C[N@@H+](Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000006661768 356367766 /nfs/dbraw/zinc/36/77/66/356367766.db2.gz YMGDVAWUAJTADF-UHFFFAOYSA-N 2 2 219.332 1.608 50 0 BDAALP [NH3+]CCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000034936162 181380896 /nfs/dbraw/zinc/38/08/96/181380896.db2.gz XBVJKHBMRMYZDU-CYBMUJFWSA-N 2 2 220.316 1.409 50 0 BDAALP [NH3+]CCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000034936162 181380898 /nfs/dbraw/zinc/38/08/98/181380898.db2.gz XBVJKHBMRMYZDU-CYBMUJFWSA-N 2 2 220.316 1.409 50 0 BDAALP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000168573386 368396332 /nfs/dbraw/zinc/39/63/32/368396332.db2.gz UMKXOVBYIBQJBM-WCQYABFASA-N 2 2 204.317 1.856 50 0 BDAALP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000168573386 368396338 /nfs/dbraw/zinc/39/63/38/368396338.db2.gz UMKXOVBYIBQJBM-WCQYABFASA-N 2 2 204.317 1.856 50 0 BDAALP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]cc2F)C1 ZINC000584890900 369038583 /nfs/dbraw/zinc/03/85/83/369038583.db2.gz MARAEQKDHRGPLA-LLVKDONJSA-N 2 2 237.322 1.786 50 0 BDAALP CCC[N@H+]1CC[C@H](CNc2cc[nH+]cc2F)C1 ZINC000584890900 369038588 /nfs/dbraw/zinc/03/85/88/369038588.db2.gz MARAEQKDHRGPLA-LLVKDONJSA-N 2 2 237.322 1.786 50 0 BDAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084615154 183349628 /nfs/dbraw/zinc/34/96/28/183349628.db2.gz OXYKYMSZFZTWLK-ZDUSSCGKSA-N 2 2 242.326 1.945 50 0 BDAALP CN(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034991098 383822584 /nfs/dbraw/zinc/82/25/84/383822584.db2.gz AORMUYFAUKNBBY-UHFFFAOYSA-N 2 2 244.342 1.524 50 0 BDAALP [NH3+]CCc1cn2cc(C(F)(F)F)ccc2[nH+]1 ZINC000036243581 383890538 /nfs/dbraw/zinc/89/05/38/383890538.db2.gz JKNDDHPIHLMVTH-UHFFFAOYSA-N 2 2 229.205 1.854 50 0 BDAALP [NH3+]CCc1cn(Cc2ccccc2)c[nH+]1 ZINC000040641215 384160092 /nfs/dbraw/zinc/16/00/92/384160092.db2.gz HJAAETDYBWUJCC-UHFFFAOYSA-N 2 2 201.273 1.433 50 0 BDAALP CNc1cc(C[NH+](C)C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000072343594 384207949 /nfs/dbraw/zinc/20/79/49/384207949.db2.gz QFHQCUFVPKBAAL-NSHDSACASA-N 2 2 249.362 1.395 50 0 BDAALP Cc1noc(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000020521420 384620680 /nfs/dbraw/zinc/62/06/80/384620680.db2.gz MJMULZSJRSNEKM-UHFFFAOYSA-N 2 2 209.293 1.215 50 0 BDAALP Cc1c[nH+]c([C@H]2CCCO2)n1C1CC[NH2+]CC1 ZINC000257174434 385039193 /nfs/dbraw/zinc/03/91/93/385039193.db2.gz GWQXEFCNPUIEME-GFCCVEGCSA-N 2 2 235.331 1.968 50 0 BDAALP C[NH+](C)C[C@H]1COCC[N@H+](Cc2ccoc2)C1 ZINC000216277858 385863480 /nfs/dbraw/zinc/86/34/80/385863480.db2.gz PJZOCLIHFQEYFA-CYBMUJFWSA-N 2 2 238.331 1.290 50 0 BDAALP C[NH+](C)C[C@H]1COCC[N@@H+](Cc2ccoc2)C1 ZINC000216277858 385863483 /nfs/dbraw/zinc/86/34/83/385863483.db2.gz PJZOCLIHFQEYFA-CYBMUJFWSA-N 2 2 238.331 1.290 50 0 BDAALP C[C@@H](CN[NH2+][C@H](C)Cc1ccccc1)C[NH+](C)C ZINC000071773091 385938766 /nfs/dbraw/zinc/93/87/66/385938766.db2.gz AMWQKRZOKPAZHA-UONOGXRCSA-N 2 2 249.402 1.910 50 0 BDAALP C[C@@H](Cc1ccccc1)[NH2+]NCCC[NH+](C)C ZINC000071773108 385939843 /nfs/dbraw/zinc/93/98/43/385939843.db2.gz XGIITDYLRBIRTB-ZDUSSCGKSA-N 2 2 235.375 1.664 50 0 BDAALP Cn1cc[nH+]c1N1CC[NH+](CCC2CC2)CC1 ZINC000170591058 388238321 /nfs/dbraw/zinc/23/83/21/388238321.db2.gz WDXPHVMIQLAACX-UHFFFAOYSA-N 2 2 234.347 1.342 50 0 BDAALP C[C@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037258164 388242202 /nfs/dbraw/zinc/24/22/02/388242202.db2.gz VBQGFAMFQOTPSQ-LLVKDONJSA-N 2 2 235.331 1.021 50 0 BDAALP CO[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C12CCC2 ZINC000308399172 388437627 /nfs/dbraw/zinc/43/76/27/388437627.db2.gz UYWLCTIRLWUZQC-NEPJUHHUSA-N 2 2 235.331 1.430 50 0 BDAALP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000095067832 388591065 /nfs/dbraw/zinc/59/10/65/388591065.db2.gz YQBRLJWIIUWSJF-LBPRGKRZSA-N 2 2 208.280 1.667 50 0 BDAALP CC(C)c1nc(NCCc2c[nH+]cn2C)cc[nH+]1 ZINC000097108379 388833248 /nfs/dbraw/zinc/83/32/48/388833248.db2.gz BGKKDGSCUPHUQX-UHFFFAOYSA-N 2 2 245.330 1.988 50 0 BDAALP CC(C)OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051925388 167230556 /nfs/dbraw/zinc/23/05/56/167230556.db2.gz UBJXEIZJFIYDAG-UHFFFAOYSA-N 2 2 240.391 1.972 50 0 BDAALP CCCc1nc(N2CC[C@H]([NH+](C)C)C2)cc(C)[nH+]1 ZINC000065508071 409993650 /nfs/dbraw/zinc/99/36/50/409993650.db2.gz VOHIJMVYNQULDM-LBPRGKRZSA-N 2 2 248.374 1.878 50 0 BDAALP COc1cccc([C@@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000095483751 175287888 /nfs/dbraw/zinc/28/78/88/175287888.db2.gz SNAJCUMTTLXNCP-CYBMUJFWSA-N 2 2 220.316 1.791 50 0 BDAALP C[C@@H]1OCC[C@]1(C)[NH2+]CC[NH+]1CCCCC1 ZINC000309828620 176482974 /nfs/dbraw/zinc/48/29/74/176482974.db2.gz XXPPZZYJYFKPQZ-STQMWFEESA-N 2 2 226.364 1.629 50 0 BDAALP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221164159 524072173 /nfs/dbraw/zinc/07/21/73/524072173.db2.gz INHUBZGVAKKUNI-CYBMUJFWSA-N 2 2 234.343 1.879 50 0 BDAALP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221164159 524072175 /nfs/dbraw/zinc/07/21/75/524072175.db2.gz INHUBZGVAKKUNI-CYBMUJFWSA-N 2 2 234.343 1.879 50 0 BDAALP Cc1noc(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000088413076 644520681 /nfs/dbraw/zinc/52/06/81/644520681.db2.gz KMLCULRAAWIVHH-UHFFFAOYSA-N 2 2 220.276 1.278 50 0 BDAALP Cc1cc(CNc2cc(C)[nH+]c(N)n2)cc(C)[nH+]1 ZINC000091745972 178041160 /nfs/dbraw/zinc/04/11/60/178041160.db2.gz IDKOQDXONAOQMJ-UHFFFAOYSA-N 2 2 243.314 1.991 50 0 BDAALP C[N@H+]([C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000000757540 342692521 /nfs/dbraw/zinc/69/25/21/342692521.db2.gz VGCCPBYPVNTBIK-NSHDSACASA-N 2 2 214.378 1.518 50 0 BDAALP C[N@@H+]([C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000000757540 342692522 /nfs/dbraw/zinc/69/25/22/342692522.db2.gz VGCCPBYPVNTBIK-NSHDSACASA-N 2 2 214.378 1.518 50 0 BDAALP c1cn(CCCNC2=[NH+]CCCCC2)c[nH+]1 ZINC000004005096 398327598 /nfs/dbraw/zinc/32/75/98/398327598.db2.gz MHZGNYZMAMJBFE-UHFFFAOYSA-N 2 2 220.320 1.835 50 0 BDAALP CC[NH+](CC)Cc1nc(C2([NH3+])CCCC2)no1 ZINC000038342368 343374318 /nfs/dbraw/zinc/37/43/18/343374318.db2.gz XKUBBJOWPFWROY-UHFFFAOYSA-N 2 2 238.335 1.639 50 0 BDAALP CC[N@H+](Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000091908129 344286797 /nfs/dbraw/zinc/28/67/97/344286797.db2.gz TVDHNQDQTKWWSH-ZDUSSCGKSA-N 2 2 219.332 1.656 50 0 BDAALP CC[N@@H+](Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000091908129 344286799 /nfs/dbraw/zinc/28/67/99/344286799.db2.gz TVDHNQDQTKWWSH-ZDUSSCGKSA-N 2 2 219.332 1.656 50 0 BDAALP Cc1n[nH]cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000036901671 188255113 /nfs/dbraw/zinc/25/51/13/188255113.db2.gz AEAVHQJWFUPROS-UHFFFAOYSA-N 2 2 236.363 1.681 50 0 BDAALP Fc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000023093603 181011378 /nfs/dbraw/zinc/01/13/78/181011378.db2.gz MIIIOVWEOPQCKE-UHFFFAOYSA-N 2 2 208.280 1.621 50 0 BDAALP Fc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000023093603 181011379 /nfs/dbraw/zinc/01/13/79/181011379.db2.gz MIIIOVWEOPQCKE-UHFFFAOYSA-N 2 2 208.280 1.621 50 0 BDAALP [NH3+]C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000011729501 181345063 /nfs/dbraw/zinc/34/50/63/181345063.db2.gz CHPNPFRWYMETGD-UHFFFAOYSA-N 2 2 234.299 1.338 50 0 BDAALP COC[C@@H](C)[NH2+]Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000584890073 369037591 /nfs/dbraw/zinc/03/75/91/369037591.db2.gz CGNJHVNDUNCBST-SECBINFHSA-N 2 2 233.315 1.996 50 0 BDAALP COC[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000584890073 369037597 /nfs/dbraw/zinc/03/75/97/369037597.db2.gz CGNJHVNDUNCBST-SECBINFHSA-N 2 2 233.315 1.996 50 0 BDAALP c1cn(Cc2ccncc2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032250 183355906 /nfs/dbraw/zinc/35/59/06/183355906.db2.gz ZEXLGDDSLHGKHY-CYBMUJFWSA-N 2 2 242.326 1.793 50 0 BDAALP c1cn(Cc2ccncc2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032251 183355962 /nfs/dbraw/zinc/35/59/62/183355962.db2.gz ZEXLGDDSLHGKHY-ZDUSSCGKSA-N 2 2 242.326 1.793 50 0 BDAALP [NH3+]CCc1cn(Cc2ccc(F)cc2)c[nH+]1 ZINC000071521209 384167989 /nfs/dbraw/zinc/16/79/89/384167989.db2.gz GYVUZCNJWMNYBH-UHFFFAOYSA-N 2 2 219.263 1.572 50 0 BDAALP CC1(C)CC([NH+]2CCOCC2)CC(C)(C)[NH2+]1 ZINC000004888386 384189070 /nfs/dbraw/zinc/18/90/70/384189070.db2.gz FWJOQNJBRSHMEO-UHFFFAOYSA-N 2 2 226.364 1.628 50 0 BDAALP C[C@H]([NH2+]CC[NH3+])c1cccc(F)c1F ZINC000235504688 384423509 /nfs/dbraw/zinc/42/35/09/384423509.db2.gz ZLBNPZORIFTPMG-ZETCQYMHSA-N 2 2 200.232 1.574 50 0 BDAALP [NH3+][C@H](Cc1c[nH+]c[nH]1)Cc1ccccc1 ZINC000054788510 384853732 /nfs/dbraw/zinc/85/37/32/384853732.db2.gz GSKOLHDIRSAPQQ-NSHDSACASA-N 2 2 201.273 1.522 50 0 BDAALP [NH3+][C@H](Cc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000054788510 384853736 /nfs/dbraw/zinc/85/37/36/384853736.db2.gz GSKOLHDIRSAPQQ-NSHDSACASA-N 2 2 201.273 1.522 50 0 BDAALP COc1ccccc1C[C@@H](C)[NH2+]CC[NH+](C)C ZINC000022455716 384996228 /nfs/dbraw/zinc/99/62/28/384996228.db2.gz XNEYBSOUVRTVLD-GFCCVEGCSA-N 2 2 236.359 1.777 50 0 BDAALP CC[NH+](CC)CCC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000191808957 387143236 /nfs/dbraw/zinc/14/32/36/387143236.db2.gz BJXFTPPTFODYIE-STQMWFEESA-N 2 2 228.380 1.828 50 0 BDAALP CC[NH+](CC)CCC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000191808957 387143241 /nfs/dbraw/zinc/14/32/41/387143241.db2.gz BJXFTPPTFODYIE-STQMWFEESA-N 2 2 228.380 1.828 50 0 BDAALP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000089534579 387276102 /nfs/dbraw/zinc/27/61/02/387276102.db2.gz BPVUKGIBFPJYQF-NSHDSACASA-N 2 2 245.330 1.582 50 0 BDAALP Cn1cc[nH+]c1N1CC[NH+](Cc2ccoc2)CC1 ZINC000575607955 387396658 /nfs/dbraw/zinc/39/66/58/387396658.db2.gz UYIVYWORQRKWKH-UHFFFAOYSA-N 2 2 246.314 1.335 50 0 BDAALP CS[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC000221673709 388594433 /nfs/dbraw/zinc/59/44/33/388594433.db2.gz ULAZLSDVKZZYMG-WDEREUQCSA-N 2 2 216.394 1.810 50 0 BDAALP CS[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC000221673709 388594435 /nfs/dbraw/zinc/59/44/35/388594435.db2.gz ULAZLSDVKZZYMG-WDEREUQCSA-N 2 2 216.394 1.810 50 0 BDAALP Cn1c[nH+]cc1CNCC[NH+]1CCCCCC1 ZINC000112340121 388667091 /nfs/dbraw/zinc/66/70/91/388667091.db2.gz RKCVSVAMADISQK-UHFFFAOYSA-N 2 2 236.363 1.386 50 0 BDAALP C[NH+](C)c1ccc(N2CCC([NH3+])CC2)cc1 ZINC000036335623 132342172 /nfs/dbraw/zinc/34/21/72/132342172.db2.gz MBTHFXJTWHGKRD-UHFFFAOYSA-N 2 2 219.332 1.680 50 0 BDAALP Cc1cc(N2CC[N@@H+](C)C(C)(C)C2)nc(C)[nH+]1 ZINC000585092254 487577478 /nfs/dbraw/zinc/57/74/78/487577478.db2.gz LYYJQWAHCANETF-UHFFFAOYSA-N 2 2 234.347 1.624 50 0 BDAALP C[N@H+](Cc1ccco1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041124067 173060939 /nfs/dbraw/zinc/06/09/39/173060939.db2.gz MAKMUVKZIONCES-CYBMUJFWSA-N 2 2 238.331 1.168 50 0 BDAALP C[N@@H+](Cc1ccco1)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041124067 173060942 /nfs/dbraw/zinc/06/09/42/173060942.db2.gz MAKMUVKZIONCES-CYBMUJFWSA-N 2 2 238.331 1.168 50 0 BDAALP C[NH+](Cc1ccco1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000041124067 173060946 /nfs/dbraw/zinc/06/09/46/173060946.db2.gz MAKMUVKZIONCES-CYBMUJFWSA-N 2 2 238.331 1.168 50 0 BDAALP C[NH+](Cc1ccco1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000041124067 173060948 /nfs/dbraw/zinc/06/09/48/173060948.db2.gz MAKMUVKZIONCES-CYBMUJFWSA-N 2 2 238.331 1.168 50 0 BDAALP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[NH+]2CCN1CC2 ZINC000252516332 521936470 /nfs/dbraw/zinc/93/64/70/521936470.db2.gz RZIAIXBWOVJRFH-AVGNSLFASA-N 2 2 225.380 1.010 50 0 BDAALP O[C@H]1CC[N@H+](Cc2c[nH+]cn2C2CCCCC2)C1 ZINC000244774009 526310360 /nfs/dbraw/zinc/31/03/60/526310360.db2.gz PMKURNMEIBWRAG-AWEZNQCLSA-N 2 2 249.358 1.955 50 0 BDAALP O[C@H]1CC[N@@H+](Cc2c[nH+]cn2C2CCCCC2)C1 ZINC000244774009 526310363 /nfs/dbraw/zinc/31/03/63/526310363.db2.gz PMKURNMEIBWRAG-AWEZNQCLSA-N 2 2 249.358 1.955 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H](C)C[C@@H]1[NH3+] ZINC000757207495 582559209 /nfs/dbraw/zinc/55/92/09/582559209.db2.gz BIPWZMLEUIJQDR-XOZVTBISSA-N 2 2 244.342 1.869 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CCC[C@H]1[NH3+] ZINC000757213066 586439202 /nfs/dbraw/zinc/43/92/02/586439202.db2.gz NPBPLGPEEMOYOP-ZWNOBZJWSA-N 2 2 230.315 1.623 50 0 BDAALP Cc1[nH]cc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)[nH+]1 ZINC000067868217 178282536 /nfs/dbraw/zinc/28/25/36/178282536.db2.gz HSHCSBLHNAVKLQ-LLVKDONJSA-N 2 2 243.310 1.956 50 0 BDAALP CCOc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000019795684 342958214 /nfs/dbraw/zinc/95/82/14/342958214.db2.gz AMGSLUFNOJSTBN-GFCCVEGCSA-N 2 2 208.305 1.647 50 0 BDAALP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CC[NH+](C)CC1 ZINC000000182775 343268968 /nfs/dbraw/zinc/26/89/68/343268968.db2.gz RGWCSHVMKHVOCE-ZDUSSCGKSA-N 3 2 225.380 1.155 50 0 BDAALP C[N@H+]1CCC[C@H]1CC[NH2+]C1CC[NH+](C)CC1 ZINC000000182775 343268970 /nfs/dbraw/zinc/26/89/70/343268970.db2.gz RGWCSHVMKHVOCE-ZDUSSCGKSA-N 3 2 225.380 1.155 50 0 BDAALP CCc1c[nH+]c(N)nc1N(C)Cc1[nH]cc(C)[nH+]1 ZINC000095371219 344335123 /nfs/dbraw/zinc/33/51/23/344335123.db2.gz IUIGDEMEYDLFPO-UHFFFAOYSA-N 2 2 246.318 1.289 50 0 BDAALP Cc1c[nH]c(CN2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000628162244 344863118 /nfs/dbraw/zinc/86/31/18/344863118.db2.gz JCEUJRAJSASOND-LLVKDONJSA-N 2 2 222.336 1.244 50 0 BDAALP Cc1cccc(N(C)CC[NH+]2CCOCC2)[nH+]1 ZINC000157373655 179115015 /nfs/dbraw/zinc/11/50/15/179115015.db2.gz UTSLUEHDJLCZHP-UHFFFAOYSA-N 2 2 235.331 1.158 50 0 BDAALP Cc1[nH+]cc(C[N@H+](C)CCc2ccncc2)n1C ZINC000216439658 180136702 /nfs/dbraw/zinc/13/67/02/180136702.db2.gz RQBLBRQOYFQDMP-UHFFFAOYSA-N 2 2 244.342 1.798 50 0 BDAALP Cc1[nH+]cc(C[N@@H+](C)CCc2ccncc2)n1C ZINC000216439658 180136704 /nfs/dbraw/zinc/13/67/04/180136704.db2.gz RQBLBRQOYFQDMP-UHFFFAOYSA-N 2 2 244.342 1.798 50 0 BDAALP Cc1ncsc1CC[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000067433171 180307200 /nfs/dbraw/zinc/30/72/00/180307200.db2.gz FNBAWZOKICBZNA-LLVKDONJSA-N 2 2 239.388 1.678 50 0 BDAALP Cc1ncsc1CC[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000067433171 180307202 /nfs/dbraw/zinc/30/72/02/180307202.db2.gz FNBAWZOKICBZNA-LLVKDONJSA-N 2 2 239.388 1.678 50 0 BDAALP Cc1cc(C[N@@H+](C)CCc2[nH+]ccn2C)ccn1 ZINC000670473390 487535763 /nfs/dbraw/zinc/53/57/63/487535763.db2.gz NBXXVZSMJSAFOQ-UHFFFAOYSA-N 2 2 244.342 1.798 50 0 BDAALP Cc1cc(C[N@H+](C)CCc2[nH+]ccn2C)ccn1 ZINC000670473390 487535770 /nfs/dbraw/zinc/53/57/70/487535770.db2.gz NBXXVZSMJSAFOQ-UHFFFAOYSA-N 2 2 244.342 1.798 50 0 BDAALP CCCC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000069814230 188285061 /nfs/dbraw/zinc/28/50/61/188285061.db2.gz AVRZPWRFDCBTSZ-NSHDSACASA-N 2 2 200.326 1.049 50 0 BDAALP CCCC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000069814230 188285062 /nfs/dbraw/zinc/28/50/62/188285062.db2.gz AVRZPWRFDCBTSZ-NSHDSACASA-N 2 2 200.326 1.049 50 0 BDAALP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000022935996 181392193 /nfs/dbraw/zinc/39/21/93/181392193.db2.gz LDLWTHMIKGPNCU-CYBMUJFWSA-N 2 2 204.317 1.825 50 0 BDAALP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000022935996 181392195 /nfs/dbraw/zinc/39/21/95/181392195.db2.gz LDLWTHMIKGPNCU-CYBMUJFWSA-N 2 2 204.317 1.825 50 0 BDAALP [NH3+]CC[NH2+]Cc1ccc(F)cc1Cl ZINC000032919759 181397260 /nfs/dbraw/zinc/39/72/60/181397260.db2.gz BXUPXOTVMCZSPD-UHFFFAOYSA-N 2 2 202.660 1.527 50 0 BDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(CO)CCC1 ZINC000584887064 369034765 /nfs/dbraw/zinc/03/47/65/369034765.db2.gz NJURGPIALOQVPF-NSHDSACASA-N 2 2 223.320 1.024 50 0 BDAALP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000309573764 384028749 /nfs/dbraw/zinc/02/87/49/384028749.db2.gz OICZKMBJCFDHAR-RWMBFGLXSA-N 2 2 226.364 1.485 50 0 BDAALP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000309573764 384028755 /nfs/dbraw/zinc/02/87/55/384028755.db2.gz OICZKMBJCFDHAR-RWMBFGLXSA-N 2 2 226.364 1.485 50 0 BDAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000071715238 384175314 /nfs/dbraw/zinc/17/53/14/384175314.db2.gz VYWFEZDSPALOKJ-GFCCVEGCSA-N 2 2 244.298 1.068 50 0 BDAALP c1cn(Cc2ccccn2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032243 384420729 /nfs/dbraw/zinc/42/07/29/384420729.db2.gz LXRFZDFSKFBKCH-LBPRGKRZSA-N 2 2 242.326 1.793 50 0 BDAALP CNc1cc(CC2CC[NH2+]CC2)[nH+]cn1 ZINC000019686806 384531410 /nfs/dbraw/zinc/53/14/10/384531410.db2.gz YWUKMFKVXXSZKG-UHFFFAOYSA-N 2 2 206.293 1.060 50 0 BDAALP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000019843367 384546218 /nfs/dbraw/zinc/54/62/18/384546218.db2.gz DKWRQRNCULDABS-ZDUSSCGKSA-N 2 2 204.317 2.000 50 0 BDAALP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000019843367 384546222 /nfs/dbraw/zinc/54/62/22/384546222.db2.gz DKWRQRNCULDABS-ZDUSSCGKSA-N 2 2 204.317 2.000 50 0 BDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc[nH]c1 ZINC000075877608 384694117 /nfs/dbraw/zinc/69/41/17/384694117.db2.gz HBXYGZWDLVTJJQ-SNVBAGLBSA-N 2 2 204.277 1.390 50 0 BDAALP CCC(CC)[C@H](C[NH3+])[NH+]1CCOCC1 ZINC000022921543 384779733 /nfs/dbraw/zinc/77/97/33/384779733.db2.gz JUMTWIVSFPSIQO-NSHDSACASA-N 2 2 200.326 1.082 50 0 BDAALP [NH3+]C[C@@H](c1cccc(O)c1)[NH+]1CCCC1 ZINC000032021205 385123659 /nfs/dbraw/zinc/12/36/59/385123659.db2.gz NKWGAFYJJLFWOL-LBPRGKRZSA-N 2 2 206.289 1.488 50 0 BDAALP CC[NH+](CC)CCC[N@@H+]1CCC2(C1)OCCO2 ZINC000191570519 387492261 /nfs/dbraw/zinc/49/22/61/387492261.db2.gz TUTYWKUAHLKSMY-UHFFFAOYSA-N 2 2 242.363 1.167 50 0 BDAALP CC[NH+](CC)CCC[N@H+]1CCC2(C1)OCCO2 ZINC000191570519 387492268 /nfs/dbraw/zinc/49/22/68/387492268.db2.gz TUTYWKUAHLKSMY-UHFFFAOYSA-N 2 2 242.363 1.167 50 0 BDAALP CC(C)n1c[nH+]cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132233518 388357422 /nfs/dbraw/zinc/35/74/22/388357422.db2.gz LXNPTQPKXGKTRP-OLZOCXBDSA-N 2 2 248.374 1.790 50 0 BDAALP COc1ccccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000006275305 132317977 /nfs/dbraw/zinc/31/79/77/132317977.db2.gz OVGGXHMQXIQOBR-UHFFFAOYSA-N 2 2 249.358 1.166 50 0 BDAALP NC(=[NH2+])Nc1ccc([NH+]2CCCCC2)cc1 ZINC000029133004 132334272 /nfs/dbraw/zinc/33/42/72/132334272.db2.gz YXYITUUKFWVBKZ-UHFFFAOYSA-N 2 2 218.304 1.982 50 0 BDAALP COC[C@H](C)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000065503697 409995117 /nfs/dbraw/zinc/99/51/17/409995117.db2.gz GJRCSFMKESPRTP-NSHDSACASA-N 2 2 223.320 1.288 50 0 BDAALP CC[NH+](CC)CCC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000248954678 411172221 /nfs/dbraw/zinc/17/22/21/411172221.db2.gz BJXFTPPTFODYIE-OLZOCXBDSA-N 2 2 228.380 1.828 50 0 BDAALP CC[NH+](CC)CCC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000248954678 411172222 /nfs/dbraw/zinc/17/22/22/411172222.db2.gz BJXFTPPTFODYIE-OLZOCXBDSA-N 2 2 228.380 1.828 50 0 BDAALP CC(C)(C)c1n[nH]cc1C[NH2+]CCn1cc[nH+]c1 ZINC000048707810 411211033 /nfs/dbraw/zinc/21/10/33/411211033.db2.gz KWXMFQXWJCCINF-UHFFFAOYSA-N 2 2 247.346 1.694 50 0 BDAALP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000037484191 170007991 /nfs/dbraw/zinc/00/79/91/170007991.db2.gz POVQSJUDYBHBQB-NSHDSACASA-N 2 2 208.305 1.711 50 0 BDAALP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000037484191 170007992 /nfs/dbraw/zinc/00/79/92/170007992.db2.gz POVQSJUDYBHBQB-NSHDSACASA-N 2 2 208.305 1.711 50 0 BDAALP Cc1nc(NCCc2[nH]cc[nH+]2)c(C)c(C)[nH+]1 ZINC000534633587 411756559 /nfs/dbraw/zinc/75/65/59/411756559.db2.gz SGYOYMKUEAUTPY-UHFFFAOYSA-N 2 2 231.303 1.780 50 0 BDAALP CCn1cc[nH+]c1[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000450827150 411815890 /nfs/dbraw/zinc/81/58/90/411815890.db2.gz HHVBDIIKYNTATG-JTQLQIEISA-N 2 2 245.330 2.483 50 0 BDAALP CC[N@H+](C)C1(CNc2nc(N)cc[nH+]2)CCCC1 ZINC000584886976 411851511 /nfs/dbraw/zinc/85/15/11/411851511.db2.gz DLHVLGPUOPGWHT-UHFFFAOYSA-N 2 2 249.362 1.735 50 0 BDAALP CC[N@@H+](C)C1(CNc2nc(N)cc[nH+]2)CCCC1 ZINC000584886976 411851516 /nfs/dbraw/zinc/85/15/16/411851516.db2.gz DLHVLGPUOPGWHT-UHFFFAOYSA-N 2 2 249.362 1.735 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH3+] ZINC000757215168 586440130 /nfs/dbraw/zinc/44/01/30/586440130.db2.gz VCEHOPBFEHPPBR-IIMNLJJBSA-N 2 2 244.342 1.869 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000877870935 590433937 /nfs/dbraw/zinc/43/39/37/590433937.db2.gz IVUKWACLMOJZIM-LBPRGKRZSA-N 2 2 247.342 1.047 50 0 BDAALP c1c[nH+]c(CCCN2CC[N@@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000952883037 974063147 /nfs/dbraw/zinc/06/31/47/974063147.db2.gz MEYKHTSGEUZZDU-CYBMUJFWSA-N 2 2 248.374 1.512 50 0 BDAALP c1c[nH+]c(CCCN2CC[N@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000952883037 974063157 /nfs/dbraw/zinc/06/31/57/974063157.db2.gz MEYKHTSGEUZZDU-CYBMUJFWSA-N 2 2 248.374 1.512 50 0 BDAALP [NH3+][C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000238679309 983181103 /nfs/dbraw/zinc/18/11/03/983181103.db2.gz OHGKAYHTVKZZGJ-SECBINFHSA-N 2 2 232.418 1.258 50 0 BDAALP [NH3+][C@@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000238679309 983181112 /nfs/dbraw/zinc/18/11/12/983181112.db2.gz OHGKAYHTVKZZGJ-SECBINFHSA-N 2 2 232.418 1.258 50 0 BDAALP Cn1cnc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000170619835 361886148 /nfs/dbraw/zinc/88/61/48/361886148.db2.gz LMMPEDRYHXYUKL-UHFFFAOYSA-N 2 2 234.347 1.137 50 0 BDAALP [NH3+][C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019735500 342955312 /nfs/dbraw/zinc/95/53/12/342955312.db2.gz ALZNTTNEPUYCSX-CYBMUJFWSA-N 2 2 204.317 1.652 50 0 BDAALP [NH3+][C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000019735500 342955313 /nfs/dbraw/zinc/95/53/13/342955313.db2.gz ALZNTTNEPUYCSX-CYBMUJFWSA-N 2 2 204.317 1.652 50 0 BDAALP C[N@H+](Cc1nc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000036300728 343314589 /nfs/dbraw/zinc/31/45/89/343314589.db2.gz WLKRFXJGMLIMGQ-UHFFFAOYSA-N 2 2 244.342 1.747 50 0 BDAALP C[N@@H+](Cc1nc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000036300728 343314590 /nfs/dbraw/zinc/31/45/90/343314590.db2.gz WLKRFXJGMLIMGQ-UHFFFAOYSA-N 2 2 244.342 1.747 50 0 BDAALP Cc1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)cc[nH+]1 ZINC000309900083 180202599 /nfs/dbraw/zinc/20/25/99/180202599.db2.gz HGDLTOIAEVMXDS-GHMZBOCLSA-N 2 2 220.320 1.680 50 0 BDAALP C1CCc2[nH+]c([C@H]3CCC[NH2+]C3)[nH]c2C1 ZINC000076121476 188310064 /nfs/dbraw/zinc/31/00/64/188310064.db2.gz GKVVMQNOPVPKRS-VIFPVBQESA-N 2 2 205.305 1.756 50 0 BDAALP CC(C)COCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000095421090 188319212 /nfs/dbraw/zinc/31/92/12/188319212.db2.gz VQLMPGCPYJDUGT-GFCCVEGCSA-N 2 2 226.364 1.485 50 0 BDAALP CC(C)COCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000095421090 188319213 /nfs/dbraw/zinc/31/92/13/188319213.db2.gz VQLMPGCPYJDUGT-GFCCVEGCSA-N 2 2 226.364 1.485 50 0 BDAALP [NH3+]CC[NH+]1CCC(c2ccccc2)CC1 ZINC000023116709 181391599 /nfs/dbraw/zinc/39/15/99/181391599.db2.gz BFKSDLKIKGGPJK-UHFFFAOYSA-N 2 2 204.317 1.825 50 0 BDAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1nonc1C ZINC000584891488 369038285 /nfs/dbraw/zinc/03/82/85/369038285.db2.gz CAAMMHJACAHGBT-SECBINFHSA-N 2 2 249.318 1.315 50 0 BDAALP c1cc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000114291923 183358776 /nfs/dbraw/zinc/35/87/76/183358776.db2.gz IGEZHWRGYWYXNS-DHHPTOIESA-N 2 2 204.273 1.743 50 0 BDAALP COc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000088604457 383916280 /nfs/dbraw/zinc/91/62/80/383916280.db2.gz MQRPNOSBMHBKSJ-ZDUSSCGKSA-N 2 2 220.316 1.791 50 0 BDAALP C[N@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000068591579 384001770 /nfs/dbraw/zinc/00/17/70/384001770.db2.gz TUEBPPKDRLPUHL-UHFFFAOYSA-N 2 2 248.370 1.575 50 0 BDAALP C[N@@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000068591579 384001773 /nfs/dbraw/zinc/00/17/73/384001773.db2.gz TUEBPPKDRLPUHL-UHFFFAOYSA-N 2 2 248.370 1.575 50 0 BDAALP [NH3+]C[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000095483749 384377683 /nfs/dbraw/zinc/37/76/83/384377683.db2.gz FFRVQTGCNAGNJO-GFCCVEGCSA-N 2 2 208.280 1.921 50 0 BDAALP c1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000020073085 384568970 /nfs/dbraw/zinc/56/89/70/384568970.db2.gz NWJDMSUBAMZDOC-CQSZACIVSA-N 2 2 216.328 1.797 50 0 BDAALP c1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000020073085 384568981 /nfs/dbraw/zinc/56/89/81/384568981.db2.gz NWJDMSUBAMZDOC-CQSZACIVSA-N 2 2 216.328 1.797 50 0 BDAALP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCSC1 ZINC000022455871 384762195 /nfs/dbraw/zinc/76/21/95/384762195.db2.gz SFTWTHVKSGANSI-NSHDSACASA-N 2 2 214.378 1.567 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000022921705 384780311 /nfs/dbraw/zinc/78/03/11/384780311.db2.gz LODPYENASSOOBD-QWHCGFSZSA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000022921705 384780317 /nfs/dbraw/zinc/78/03/17/384780317.db2.gz LODPYENASSOOBD-QWHCGFSZSA-N 2 2 202.301 1.480 50 0 BDAALP C[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000127641316 384927984 /nfs/dbraw/zinc/92/79/84/384927984.db2.gz GMPSUFVCWGMMMS-LBPRGKRZSA-N 2 2 249.358 1.016 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC000032915226 385191014 /nfs/dbraw/zinc/19/10/14/385191014.db2.gz LODPYENASSOOBD-CHWSQXEVSA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC000032915226 385191021 /nfs/dbraw/zinc/19/10/21/385191021.db2.gz LODPYENASSOOBD-CHWSQXEVSA-N 2 2 202.301 1.480 50 0 BDAALP CC(C)n1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000194541471 385439235 /nfs/dbraw/zinc/43/92/35/385439235.db2.gz PKIGRVBMEHGWRC-OKILXGFUSA-N 2 2 248.374 1.457 50 0 BDAALP CC(C)n1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000194541471 385439239 /nfs/dbraw/zinc/43/92/39/385439239.db2.gz PKIGRVBMEHGWRC-OKILXGFUSA-N 2 2 248.374 1.457 50 0 BDAALP CC(C)n1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000194541471 385439245 /nfs/dbraw/zinc/43/92/45/385439245.db2.gz PKIGRVBMEHGWRC-OKILXGFUSA-N 2 2 248.374 1.457 50 0 BDAALP CC(C)n1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000194541471 385439251 /nfs/dbraw/zinc/43/92/51/385439251.db2.gz PKIGRVBMEHGWRC-OKILXGFUSA-N 2 2 248.374 1.457 50 0 BDAALP C[C@H](Cc1ccccc1)[NH2+]NC[C@@H](C)C[NH+](C)C ZINC000071773089 385938864 /nfs/dbraw/zinc/93/88/64/385938864.db2.gz AMWQKRZOKPAZHA-ZIAGYGMSSA-N 2 2 249.402 1.910 50 0 BDAALP C[NH+](C)C[C@@H]1C[N@H+](CC2CCCC2)CCO1 ZINC000075133132 386985224 /nfs/dbraw/zinc/98/52/24/386985224.db2.gz MUHVJCIWALFETQ-CYBMUJFWSA-N 2 2 226.364 1.439 50 0 BDAALP C[NH+](C)C[C@@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000075133132 386985228 /nfs/dbraw/zinc/98/52/28/386985228.db2.gz MUHVJCIWALFETQ-CYBMUJFWSA-N 2 2 226.364 1.439 50 0 BDAALP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000089534585 387275254 /nfs/dbraw/zinc/27/52/54/387275254.db2.gz BPVUKGIBFPJYQF-LLVKDONJSA-N 2 2 245.330 1.582 50 0 BDAALP CC[NH+](CC)CCC[N@@H+]1CCOCC12CCC2 ZINC000191591704 387495198 /nfs/dbraw/zinc/49/51/98/387495198.db2.gz PIFRWTGRXDAGNN-UHFFFAOYSA-N 2 2 240.391 1.973 50 0 BDAALP CC[NH+](CC)CCC[N@H+]1CCOCC12CCC2 ZINC000191591704 387495199 /nfs/dbraw/zinc/49/51/99/387495199.db2.gz PIFRWTGRXDAGNN-UHFFFAOYSA-N 2 2 240.391 1.973 50 0 BDAALP C[C@@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037258161 388242903 /nfs/dbraw/zinc/24/29/03/388242903.db2.gz VBQGFAMFQOTPSQ-NSHDSACASA-N 2 2 235.331 1.021 50 0 BDAALP Cc1nnc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000095984088 388799346 /nfs/dbraw/zinc/79/93/46/388799346.db2.gz FFQAEMSCSBKNKU-JTQLQIEISA-N 2 2 249.318 1.658 50 0 BDAALP Cc1nnc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000095984088 388799349 /nfs/dbraw/zinc/79/93/49/388799349.db2.gz FFQAEMSCSBKNKU-JTQLQIEISA-N 2 2 249.318 1.658 50 0 BDAALP C[N@@H+]1CCC[C@@](O)(C[NH2+]Cc2cccs2)C1 ZINC000046087394 411156957 /nfs/dbraw/zinc/15/69/57/411156957.db2.gz HKKKHXCENHQRBI-GFCCVEGCSA-N 2 2 240.372 1.294 50 0 BDAALP C[N@H+]1CCC[C@@](O)(C[NH2+]Cc2cccs2)C1 ZINC000046087394 411156962 /nfs/dbraw/zinc/15/69/62/411156962.db2.gz HKKKHXCENHQRBI-GFCCVEGCSA-N 2 2 240.372 1.294 50 0 BDAALP C[N@@H+]1CCC[C@](O)(C[NH2+]Cc2cccs2)C1 ZINC000046087392 411157084 /nfs/dbraw/zinc/15/70/84/411157084.db2.gz HKKKHXCENHQRBI-LBPRGKRZSA-N 2 2 240.372 1.294 50 0 BDAALP C[N@H+]1CCC[C@](O)(C[NH2+]Cc2cccs2)C1 ZINC000046087392 411157087 /nfs/dbraw/zinc/15/70/87/411157087.db2.gz HKKKHXCENHQRBI-LBPRGKRZSA-N 2 2 240.372 1.294 50 0 BDAALP C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000098210292 173367431 /nfs/dbraw/zinc/36/74/31/173367431.db2.gz AWKWXITXBWLLJK-CMPLNLGQSA-N 2 2 222.336 1.022 50 0 BDAALP C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000098210292 173367433 /nfs/dbraw/zinc/36/74/33/173367433.db2.gz AWKWXITXBWLLJK-CMPLNLGQSA-N 2 2 222.336 1.022 50 0 BDAALP COc1cccc([C@H]([NH3+])C[NH+]2CCCC2)c1 ZINC000019821396 175293932 /nfs/dbraw/zinc/29/39/32/175293932.db2.gz RBKOKRWDNKXXHB-CYBMUJFWSA-N 2 2 220.316 1.791 50 0 BDAALP Cc1nn(C)cc1C[N@H+](C)CCc1[nH+]ccn1C ZINC000670472535 487533569 /nfs/dbraw/zinc/53/35/69/487533569.db2.gz HBSJPENSWHSFQG-UHFFFAOYSA-N 2 2 247.346 1.137 50 0 BDAALP Cc1nn(C)cc1C[N@@H+](C)CCc1[nH+]ccn1C ZINC000670472535 487533575 /nfs/dbraw/zinc/53/35/75/487533575.db2.gz HBSJPENSWHSFQG-UHFFFAOYSA-N 2 2 247.346 1.137 50 0 BDAALP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000000220420 642760907 /nfs/dbraw/zinc/76/09/07/642760907.db2.gz DBPYSMQZAZRHAF-PHIMTYICSA-N 2 2 212.337 1.190 50 0 BDAALP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000000220420 642760911 /nfs/dbraw/zinc/76/09/11/642760911.db2.gz DBPYSMQZAZRHAF-PHIMTYICSA-N 2 2 212.337 1.190 50 0 BDAALP CC/C=C(\C)C[N@@H+]1CCN2CC[NH+](C)C[C@H]2C1 ZINC000248155417 644666607 /nfs/dbraw/zinc/66/66/07/644666607.db2.gz VMUOXXHUFBPPIN-GUVYXZIWSA-N 2 2 237.391 1.274 50 0 BDAALP CC/C=C(\C)C[N@H+]1CCN2CC[NH+](C)C[C@H]2C1 ZINC000248155417 644666608 /nfs/dbraw/zinc/66/66/08/644666608.db2.gz VMUOXXHUFBPPIN-GUVYXZIWSA-N 2 2 237.391 1.274 50 0 BDAALP CC/C=C(\C)C[NH+]1CCN2CC[N@H+](C)C[C@H]2C1 ZINC000248155417 644666614 /nfs/dbraw/zinc/66/66/14/644666614.db2.gz VMUOXXHUFBPPIN-GUVYXZIWSA-N 2 2 237.391 1.274 50 0 BDAALP CC/C=C(\C)C[NH+]1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000248155417 644666620 /nfs/dbraw/zinc/66/66/20/644666620.db2.gz VMUOXXHUFBPPIN-GUVYXZIWSA-N 2 2 237.391 1.274 50 0 BDAALP c1cn(CC2(C[NH2+][C@H]3CCCOC3)CC2)c[nH+]1 ZINC000820408716 968472363 /nfs/dbraw/zinc/47/23/63/968472363.db2.gz FLRLGHMLJMGNMK-LBPRGKRZSA-N 2 2 235.331 1.432 50 0 BDAALP Fc1c[nH+]ccc1NCC1(C[NH+]2CCCC2)CC1 ZINC000584904201 342737435 /nfs/dbraw/zinc/73/74/35/342737435.db2.gz KZQSIZRLNCLTTQ-UHFFFAOYSA-N 2 2 249.333 1.931 50 0 BDAALP OC[C@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1 ZINC000005124225 342758706 /nfs/dbraw/zinc/75/87/06/342758706.db2.gz ARSAGVGSZLEXHZ-ZDUSSCGKSA-N 2 2 231.299 1.103 50 0 BDAALP OC[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1 ZINC000005124225 342758708 /nfs/dbraw/zinc/75/87/08/342758708.db2.gz ARSAGVGSZLEXHZ-ZDUSSCGKSA-N 2 2 231.299 1.103 50 0 BDAALP CC(C)(C)OC(=O)CC[NH2+]CC[NH+]1CCCC1 ZINC000022588566 343051897 /nfs/dbraw/zinc/05/18/97/343051897.db2.gz YBYUVCQRDSCNQL-UHFFFAOYSA-N 2 2 242.363 1.404 50 0 BDAALP Cn1c2ccc(F)cc2[nH+]c1CCC[NH3+] ZINC000037439298 343074910 /nfs/dbraw/zinc/07/49/10/343074910.db2.gz NEIQHVRGCJSGLH-UHFFFAOYSA-N 2 2 207.252 1.604 50 0 BDAALP C[NH+](C)Cc1nc(C2([NH3+])CCCCCC2)no1 ZINC000032628314 343238934 /nfs/dbraw/zinc/23/89/34/343238934.db2.gz XVUSBWZKBJRIGL-UHFFFAOYSA-N 2 2 238.335 1.639 50 0 BDAALP CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000042783323 343452849 /nfs/dbraw/zinc/45/28/49/343452849.db2.gz VJSDETCBJFSOJU-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000042783323 343452853 /nfs/dbraw/zinc/45/28/53/343452853.db2.gz VJSDETCBJFSOJU-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c(C)[nH+]1 ZINC000094665921 191048943 /nfs/dbraw/zinc/04/89/43/191048943.db2.gz BHXYRASQQBMSSY-LLVKDONJSA-N 2 2 249.314 1.015 50 0 BDAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccn1)CCC2 ZINC000089883749 362954589 /nfs/dbraw/zinc/95/45/89/362954589.db2.gz WQWAZJAJOIEZMS-LBPRGKRZSA-N 2 2 242.326 1.945 50 0 BDAALP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000022942120 356368942 /nfs/dbraw/zinc/36/89/42/356368942.db2.gz XCAHYEUISIUALY-LLVKDONJSA-N 2 2 206.289 1.228 50 0 BDAALP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000022942120 356368946 /nfs/dbraw/zinc/36/89/46/356368946.db2.gz XCAHYEUISIUALY-LLVKDONJSA-N 2 2 206.289 1.228 50 0 BDAALP [NH3+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000049815195 181358924 /nfs/dbraw/zinc/35/89/24/181358924.db2.gz QQUJTFAVYFEGLY-UHFFFAOYSA-N 2 2 212.337 1.228 50 0 BDAALP c1cn(CCC[NH2+]Cc2ccncc2)c[nH+]1 ZINC000039170029 183349798 /nfs/dbraw/zinc/34/97/98/183349798.db2.gz QWKABRUIDAEGCV-UHFFFAOYSA-N 2 2 216.288 1.458 50 0 BDAALP CC1(C)C[N@@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000036232290 383890421 /nfs/dbraw/zinc/89/04/21/383890421.db2.gz KVLPXLXCRNCEKC-UHFFFAOYSA-N 2 2 226.364 1.759 50 0 BDAALP CC1(C)C[N@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000036232290 383890425 /nfs/dbraw/zinc/89/04/25/383890425.db2.gz KVLPXLXCRNCEKC-UHFFFAOYSA-N 2 2 226.364 1.759 50 0 BDAALP C[NH+](C)CCC[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC000001304639 383894089 /nfs/dbraw/zinc/89/40/89/383894089.db2.gz XRHMZCPDNZTCHO-QWHCGFSZSA-N 2 2 238.375 1.772 50 0 BDAALP C[NH+](C)CCC[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC000001304639 383894098 /nfs/dbraw/zinc/89/40/98/383894098.db2.gz XRHMZCPDNZTCHO-QWHCGFSZSA-N 2 2 238.375 1.772 50 0 BDAALP Cc1nc(N2CCC3(C2)CC[NH+](C)CC3)cc[nH+]1 ZINC000067713008 383939668 /nfs/dbraw/zinc/93/96/68/383939668.db2.gz UHHHSEIZURCAND-UHFFFAOYSA-N 2 2 246.358 1.707 50 0 BDAALP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C(C)C ZINC000072171133 384197614 /nfs/dbraw/zinc/19/76/14/384197614.db2.gz DYYJQWGCBWRBFT-LBPRGKRZSA-N 2 2 236.363 1.714 50 0 BDAALP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C(C)C ZINC000072171133 384197622 /nfs/dbraw/zinc/19/76/22/384197622.db2.gz DYYJQWGCBWRBFT-LBPRGKRZSA-N 2 2 236.363 1.714 50 0 BDAALP Cc1cccc(NC[C@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000097096578 384333821 /nfs/dbraw/zinc/33/38/21/384333821.db2.gz ODHGSIQDTLHDAS-ZDUSSCGKSA-N 2 2 248.374 1.438 50 0 BDAALP [NH3+]C[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000095483750 384378387 /nfs/dbraw/zinc/37/83/87/384378387.db2.gz FFRVQTGCNAGNJO-LBPRGKRZSA-N 2 2 208.280 1.921 50 0 BDAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc[nH]c1 ZINC000075877607 384692884 /nfs/dbraw/zinc/69/28/84/384692884.db2.gz HBXYGZWDLVTJJQ-JTQLQIEISA-N 2 2 204.277 1.390 50 0 BDAALP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC000127941311 384924417 /nfs/dbraw/zinc/92/44/17/384924417.db2.gz ULAZLSDVKZZYMG-GHMZBOCLSA-N 2 2 216.394 1.810 50 0 BDAALP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC000127941311 384924425 /nfs/dbraw/zinc/92/44/25/384924425.db2.gz ULAZLSDVKZZYMG-GHMZBOCLSA-N 2 2 216.394 1.810 50 0 BDAALP c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000035054367 386563047 /nfs/dbraw/zinc/56/30/47/386563047.db2.gz HNRHJZGGVSIBPJ-UHFFFAOYSA-N 2 2 231.343 1.798 50 0 BDAALP C([C@H]1CCC[N@H+]1C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000170623264 388261144 /nfs/dbraw/zinc/26/11/44/388261144.db2.gz AKKCFUTZPKSJLU-UONOGXRCSA-N 2 2 238.375 1.583 50 0 BDAALP C([C@H]1CCC[N@@H+]1C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000170623264 388261145 /nfs/dbraw/zinc/26/11/45/388261145.db2.gz AKKCFUTZPKSJLU-UONOGXRCSA-N 2 2 238.375 1.583 50 0 BDAALP C([C@@H]1CCC[N@H+]1C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000170623263 388261132 /nfs/dbraw/zinc/26/11/32/388261132.db2.gz AKKCFUTZPKSJLU-KBPBESRZSA-N 2 2 238.375 1.583 50 0 BDAALP C([C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000170623263 388261135 /nfs/dbraw/zinc/26/11/35/388261135.db2.gz AKKCFUTZPKSJLU-KBPBESRZSA-N 2 2 238.375 1.583 50 0 BDAALP Cc1cc(C)c(C[N@@H+]2CCO[C@H](C[NH3+])C2)cc1C ZINC000065397389 388276432 /nfs/dbraw/zinc/27/64/32/388276432.db2.gz YYFLMDNMQBCXNK-OAHLLOKOSA-N 2 2 248.370 1.771 50 0 BDAALP Cc1cc(C)c(C[N@H+]2CCO[C@H](C[NH3+])C2)cc1C ZINC000065397389 388276434 /nfs/dbraw/zinc/27/64/34/388276434.db2.gz YYFLMDNMQBCXNK-OAHLLOKOSA-N 2 2 248.370 1.771 50 0 BDAALP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000089598168 388352968 /nfs/dbraw/zinc/35/29/68/388352968.db2.gz DVZFSOAQQXQEBW-CYBMUJFWSA-N 2 2 224.348 1.239 50 0 BDAALP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000089598168 388352973 /nfs/dbraw/zinc/35/29/73/388352973.db2.gz DVZFSOAQQXQEBW-CYBMUJFWSA-N 2 2 224.348 1.239 50 0 BDAALP C[NH+](C)CC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000021149446 388797823 /nfs/dbraw/zinc/79/78/23/388797823.db2.gz DHCDJPNRPKXFHT-LLVKDONJSA-N 2 2 214.353 1.343 50 0 BDAALP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000298165446 388805513 /nfs/dbraw/zinc/80/55/13/388805513.db2.gz SXWVENNBAXJHRO-GFCCVEGCSA-N 2 2 225.311 1.787 50 0 BDAALP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000298165446 388805517 /nfs/dbraw/zinc/80/55/17/388805517.db2.gz SXWVENNBAXJHRO-GFCCVEGCSA-N 2 2 225.311 1.787 50 0 BDAALP Cc1[nH+]cn(CC[NH2+][C@@H](C)CC[NH+](C)C)c1C ZINC000670470923 487529551 /nfs/dbraw/zinc/52/95/51/487529551.db2.gz FDSZPMKHBARVCR-NSHDSACASA-N 3 2 238.379 1.430 50 0 BDAALP C[NH2+]CCc1[nH]c2ccc(OC)cc2[nH+]1 ZINC000019088951 173361326 /nfs/dbraw/zinc/36/13/26/173361326.db2.gz DMNYXWBUIOGBTG-UHFFFAOYSA-N 2 2 205.261 1.333 50 0 BDAALP COc1cccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)n1 ZINC000225435697 175254562 /nfs/dbraw/zinc/25/45/62/175254562.db2.gz WFUJFRCLVLKVQU-LBPRGKRZSA-N 2 2 249.358 1.474 50 0 BDAALP COc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)n1 ZINC000225435697 175254565 /nfs/dbraw/zinc/25/45/65/175254565.db2.gz WFUJFRCLVLKVQU-LBPRGKRZSA-N 2 2 249.358 1.474 50 0 BDAALP COc1cccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000225435697 175254566 /nfs/dbraw/zinc/25/45/66/175254566.db2.gz WFUJFRCLVLKVQU-LBPRGKRZSA-N 2 2 249.358 1.474 50 0 BDAALP COc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)n1 ZINC000225435697 175254568 /nfs/dbraw/zinc/25/45/68/175254568.db2.gz WFUJFRCLVLKVQU-LBPRGKRZSA-N 2 2 249.358 1.474 50 0 BDAALP Nc1cc(-c2cncnc2[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000077010723 490327006 /nfs/dbraw/zinc/32/70/06/490327006.db2.gz XRFGVGPSSBMILT-JTQLQIEISA-N 2 2 241.298 1.198 50 0 BDAALP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[NH+]2CCN1CC2 ZINC000241795453 521819127 /nfs/dbraw/zinc/81/91/27/521819127.db2.gz RZIAIXBWOVJRFH-XQQFMLRXSA-N 2 2 225.380 1.010 50 0 BDAALP c1[nH+]cn(C2CCCCC2)c1CN1CC[NH2+]CC1 ZINC000243901789 526614649 /nfs/dbraw/zinc/61/46/49/526614649.db2.gz BDZHQFYIABHRTN-UHFFFAOYSA-N 2 2 248.374 1.794 50 0 BDAALP CC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000012016458 535743422 /nfs/dbraw/zinc/74/34/22/535743422.db2.gz VYQODWFGEAOMAD-UHFFFAOYSA-N 2 2 220.320 1.235 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH3+] ZINC000757215158 586440469 /nfs/dbraw/zinc/44/04/69/586440469.db2.gz VCEHOPBFEHPPBR-FZQKWOKYSA-N 2 2 244.342 1.869 50 0 BDAALP CC[N@@H+]1CCC[C@H]1CN1CCc2[nH+]c(C)[nH]c2C1 ZINC000823110184 968540269 /nfs/dbraw/zinc/54/02/69/968540269.db2.gz IDOLDFZDUKPLDI-LBPRGKRZSA-N 2 2 248.374 1.561 50 0 BDAALP CC[N@H+]1CCC[C@H]1CN1CCc2[nH+]c(C)[nH]c2C1 ZINC000823110184 968540271 /nfs/dbraw/zinc/54/02/71/968540271.db2.gz IDOLDFZDUKPLDI-LBPRGKRZSA-N 2 2 248.374 1.561 50 0 BDAALP C[NH+](C)CC[C@H]1CCCCN1Cc1[nH]cc[nH+]1 ZINC000072425302 398180776 /nfs/dbraw/zinc/18/07/76/398180776.db2.gz ITYXKAQHPIPOCR-GFCCVEGCSA-N 2 2 236.363 1.716 50 0 BDAALP Cc1cc(N2CCC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000040497082 178114760 /nfs/dbraw/zinc/11/47/60/178114760.db2.gz VQDAZXXWKJEBTH-UHFFFAOYSA-N 2 2 220.320 1.235 50 0 BDAALP Cc1cc(N2CCC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000040497082 178114762 /nfs/dbraw/zinc/11/47/62/178114762.db2.gz VQDAZXXWKJEBTH-UHFFFAOYSA-N 2 2 220.320 1.235 50 0 BDAALP c1cn([C@H]2CCC[C@H]2[NH2+]C2CCOCC2)c[nH+]1 ZINC000037106390 538961613 /nfs/dbraw/zinc/96/16/13/538961613.db2.gz XQLSHRWPTKXEHA-OLZOCXBDSA-N 2 2 235.331 1.745 50 0 BDAALP CC[NH+](CC)CCC[NH2+]C1CC[NH+](CC)CC1 ZINC000002523005 342722459 /nfs/dbraw/zinc/72/24/59/342722459.db2.gz OEWCSBKCAYOACJ-UHFFFAOYSA-N 3 2 241.423 1.792 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[N@@H+]1C ZINC000685939685 537928101 /nfs/dbraw/zinc/92/81/01/537928101.db2.gz SBOGPHNXAYIKSA-KSSYENDESA-N 2 2 238.375 1.482 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[N@H+]1C ZINC000685939685 537928108 /nfs/dbraw/zinc/92/81/08/537928108.db2.gz SBOGPHNXAYIKSA-KSSYENDESA-N 2 2 238.375 1.482 50 0 BDAALP Cc1ccccc1C[NH2+]CC[NH2+]C[C@H](C)O ZINC000019370646 179281329 /nfs/dbraw/zinc/28/13/29/179281329.db2.gz RLUFZJLXNCTARB-LBPRGKRZSA-N 2 2 222.332 1.055 50 0 BDAALP Cc1[nH+]c(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)n(C)c1C ZINC000091445036 179961897 /nfs/dbraw/zinc/96/18/97/179961897.db2.gz WPIWCAMYGSJKRH-OLZOCXBDSA-N 2 2 248.374 1.206 50 0 BDAALP [NH3+]C1(C(=O)Nc2c[nH+]c3n2CCCC3)CCC1 ZINC000067643356 181329763 /nfs/dbraw/zinc/32/97/63/181329763.db2.gz HMKPTLHRHAVWBS-UHFFFAOYSA-N 2 2 234.303 1.039 50 0 BDAALP [NH3+]CCCn1cc[nH+]c1-c1ccccc1 ZINC000012953711 181389006 /nfs/dbraw/zinc/38/90/06/181389006.db2.gz WLRMVXCQYGCPLF-UHFFFAOYSA-N 2 2 201.273 1.899 50 0 BDAALP OC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000125248898 183115888 /nfs/dbraw/zinc/11/58/88/183115888.db2.gz UYDBXBKOFUFCJW-STQMWFEESA-N 2 2 237.347 1.414 50 0 BDAALP c1cn(CC2CC2)c(C2CC[NH2+]CC2)[nH+]1 ZINC000096032233 384421184 /nfs/dbraw/zinc/42/11/84/384421184.db2.gz KYFVWWONXJDFQJ-UHFFFAOYSA-N 2 2 205.305 1.760 50 0 BDAALP CCc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1 ZINC000019370637 384519185 /nfs/dbraw/zinc/51/91/85/384519185.db2.gz LVSVHSNVCDDROX-GFCCVEGCSA-N 2 2 236.359 1.309 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000585117078 386672747 /nfs/dbraw/zinc/67/27/47/386672747.db2.gz QKKZXAYMKLYGCD-ZDUSSCGKSA-N 2 2 247.342 1.191 50 0 BDAALP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037141056 388169314 /nfs/dbraw/zinc/16/93/14/388169314.db2.gz ADQRDUNPVFYSBZ-UHFFFAOYSA-N 2 2 248.374 1.743 50 0 BDAALP Cc1ccnc(NCC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000067724410 388407599 /nfs/dbraw/zinc/40/75/99/388407599.db2.gz UQXVBUWTNXGLDV-GFCCVEGCSA-N 2 2 248.374 1.532 50 0 BDAALP Cc1c[nH+]ccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237800538 388596029 /nfs/dbraw/zinc/59/60/29/388596029.db2.gz DYKXPUIBKAEWHD-NSHDSACASA-N 2 2 249.314 1.097 50 0 BDAALP C[NH2+]C1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000037483651 173324105 /nfs/dbraw/zinc/32/41/05/173324105.db2.gz VNPQVLANRVGRCY-NSHDSACASA-N 2 2 219.332 1.826 50 0 BDAALP COC1CC[NH+](C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000081003021 174028359 /nfs/dbraw/zinc/02/83/59/174028359.db2.gz KXAONAVGWIVBAM-LBPRGKRZSA-N 2 2 226.364 1.629 50 0 BDAALP COc1cccc([C@@H]([NH3+])C[NH+]2CCCC2)c1 ZINC000019821394 175289078 /nfs/dbraw/zinc/28/90/78/175289078.db2.gz RBKOKRWDNKXXHB-ZDUSSCGKSA-N 2 2 220.316 1.791 50 0 BDAALP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCC1(F)F ZINC000289844184 176296699 /nfs/dbraw/zinc/29/66/99/176296699.db2.gz PHWTZJBJIRVWTA-SNVBAGLBSA-N 2 2 229.274 1.860 50 0 BDAALP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCC1(F)F ZINC000289844184 176296700 /nfs/dbraw/zinc/29/67/00/176296700.db2.gz PHWTZJBJIRVWTA-SNVBAGLBSA-N 2 2 229.274 1.860 50 0 BDAALP CCc1noc(CC[NH2+][C@@H](C)Cn2cc[nH+]c2)n1 ZINC000670456266 487509026 /nfs/dbraw/zinc/50/90/26/487509026.db2.gz MMTDYEZFFPPAAX-JTQLQIEISA-N 2 2 249.318 1.049 50 0 BDAALP C[NH+](C)CCNc1nc(C2CC2)[nH+]c2c1CCC2 ZINC000065288131 490059397 /nfs/dbraw/zinc/05/93/97/490059397.db2.gz BCHZIEVJAIYJJR-UHFFFAOYSA-N 2 2 246.358 1.816 50 0 BDAALP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1O ZINC000041063295 641541334 /nfs/dbraw/zinc/54/13/34/641541334.db2.gz RTQHEZISVGVFDV-UHFFFAOYSA-N 2 2 247.298 1.387 50 0 BDAALP CC[NH+]1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000022455832 343140196 /nfs/dbraw/zinc/14/01/96/343140196.db2.gz PZTPBSWUJWCZGU-UHFFFAOYSA-N 2 2 239.407 1.546 50 0 BDAALP C[N@@H+]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000040672741 343408253 /nfs/dbraw/zinc/40/82/53/343408253.db2.gz WMTDYWOKJRZSIB-NSHDSACASA-N 2 2 214.378 1.566 50 0 BDAALP C[N@H+]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000040672741 343408257 /nfs/dbraw/zinc/40/82/57/343408257.db2.gz WMTDYWOKJRZSIB-NSHDSACASA-N 2 2 214.378 1.566 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C[N@@H+]1C ZINC000685939686 537928313 /nfs/dbraw/zinc/92/83/13/537928313.db2.gz SBOGPHNXAYIKSA-MLGHIDQZSA-N 2 2 238.375 1.482 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C[N@H+]1C ZINC000685939686 537928320 /nfs/dbraw/zinc/92/83/20/537928320.db2.gz SBOGPHNXAYIKSA-MLGHIDQZSA-N 2 2 238.375 1.482 50 0 BDAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC000034118495 346202816 /nfs/dbraw/zinc/20/28/16/346202816.db2.gz LAXHKLZXVYCQDQ-CABCVRRESA-N 2 2 248.370 1.794 50 0 BDAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC000034118495 346202817 /nfs/dbraw/zinc/20/28/17/346202817.db2.gz LAXHKLZXVYCQDQ-CABCVRRESA-N 2 2 248.370 1.794 50 0 BDAALP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000096477269 179196197 /nfs/dbraw/zinc/19/61/97/179196197.db2.gz GSYIJRXEHAVPNJ-GXTWGEPZSA-N 2 2 236.359 1.568 50 0 BDAALP C(C1CC1)[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000089819089 191021921 /nfs/dbraw/zinc/02/19/21/191021921.db2.gz ZXMDIOSEGSHUES-ZDUSSCGKSA-N 2 2 208.349 1.957 50 0 BDAALP C(C1CC1)[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000089819089 191021922 /nfs/dbraw/zinc/02/19/22/191021922.db2.gz ZXMDIOSEGSHUES-ZDUSSCGKSA-N 2 2 208.349 1.957 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405692982 354841491 /nfs/dbraw/zinc/84/14/91/354841491.db2.gz DWZMTVBMIJZWLS-MBNYWOFBSA-N 2 2 234.343 1.946 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CN1C ZINC000222017386 538571617 /nfs/dbraw/zinc/57/16/17/538571617.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 2 2 237.391 1.295 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CN1C ZINC000222017386 538571627 /nfs/dbraw/zinc/57/16/27/538571627.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 2 2 237.391 1.295 50 0 BDAALP Cc1c[nH+]c(-c2ccccc2)n1CC[NH3+] ZINC000169793060 361130373 /nfs/dbraw/zinc/13/03/73/361130373.db2.gz DOFJYIDBJMHZES-UHFFFAOYSA-N 2 2 201.273 1.817 50 0 BDAALP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000250877489 541441417 /nfs/dbraw/zinc/44/14/17/541441417.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[N@H+]1CC[C@@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000250877489 541441420 /nfs/dbraw/zinc/44/14/20/541441420.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250877489 541441423 /nfs/dbraw/zinc/44/14/23/541441423.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1[NH+]1CC[C@@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250877489 541441425 /nfs/dbraw/zinc/44/14/25/541441425.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250877489 541441429 /nfs/dbraw/zinc/44/14/29/541441429.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 2 2 249.402 1.440 50 0 BDAALP C1CC1N1CC[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250877489 541441432 /nfs/dbraw/zinc/44/14/32/541441432.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 2 2 249.402 1.440 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CN1C ZINC000252120089 541445269 /nfs/dbraw/zinc/44/52/69/541445269.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 2 2 237.391 1.295 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CN1C ZINC000252120089 541445273 /nfs/dbraw/zinc/44/52/73/541445273.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 2 2 237.391 1.295 50 0 BDAALP [NH3+]CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000032919739 181380232 /nfs/dbraw/zinc/38/02/32/181380232.db2.gz JULHFSWCDLKJNE-UHFFFAOYSA-N 3 2 225.380 1.286 50 0 BDAALP OC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000125248675 183117725 /nfs/dbraw/zinc/11/77/25/183117725.db2.gz UYDBXBKOFUFCJW-QWHCGFSZSA-N 2 2 237.347 1.414 50 0 BDAALP c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000036471026 183393538 /nfs/dbraw/zinc/39/35/38/183393538.db2.gz ODYLTZRECSDWCJ-LSDHHAIUSA-N 2 2 230.355 1.913 50 0 BDAALP c1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000036471026 183393540 /nfs/dbraw/zinc/39/35/40/183393540.db2.gz ODYLTZRECSDWCJ-LSDHHAIUSA-N 2 2 230.355 1.913 50 0 BDAALP C[C@H]1OCC[C@]1(C)[NH2+]CC[NH+]1CCCCC1 ZINC000309828617 384184154 /nfs/dbraw/zinc/18/41/54/384184154.db2.gz XXPPZZYJYFKPQZ-OLZOCXBDSA-N 2 2 226.364 1.629 50 0 BDAALP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[NH+]1CCCCC1 ZINC000309828619 384184186 /nfs/dbraw/zinc/18/41/86/384184186.db2.gz XXPPZZYJYFKPQZ-QWHCGFSZSA-N 2 2 226.364 1.629 50 0 BDAALP Fc1ccccc1[C@@H]1[NH2+]CC[C@H]2[NH+]=CN[C@@H]21 ZINC000012375427 384317336 /nfs/dbraw/zinc/31/73/36/384317336.db2.gz CUGLGYBRHHCWRK-WOPDTQHZSA-N 2 2 219.263 1.229 50 0 BDAALP c1cn(Cc2ccccn2)c(C2CC[NH2+]CC2)[nH+]1 ZINC000096032234 384421989 /nfs/dbraw/zinc/42/19/89/384421989.db2.gz MDUBJKFKBHJSLJ-UHFFFAOYSA-N 2 2 242.326 1.793 50 0 BDAALP CCC(CC)[C@@H](C[NH3+])[NH+]1CCOCC1 ZINC000022921540 384779819 /nfs/dbraw/zinc/77/98/19/384779819.db2.gz JUMTWIVSFPSIQO-LLVKDONJSA-N 2 2 200.326 1.082 50 0 BDAALP C[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000054957068 384861618 /nfs/dbraw/zinc/86/16/18/384861618.db2.gz OMTMWLSXGHRLID-UHFFFAOYSA-N 2 2 205.305 1.265 50 0 BDAALP [NH3+]C1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000088131091 385047504 /nfs/dbraw/zinc/04/75/04/385047504.db2.gz RRGCEPRETOARED-UHFFFAOYSA-N 2 2 231.343 1.300 50 0 BDAALP C[NH+]1CCC([NH2+]CC2(Cn3cc[nH+]c3)CC2)CC1 ZINC000065455729 385312960 /nfs/dbraw/zinc/31/29/60/385312960.db2.gz YQAMDCZZIHKOAV-UHFFFAOYSA-N 3 2 248.374 1.347 50 0 BDAALP C[NH+](C)C[C@@H]1COCC[N@H+](Cc2ccoc2)C1 ZINC000216277914 385863641 /nfs/dbraw/zinc/86/36/41/385863641.db2.gz PJZOCLIHFQEYFA-ZDUSSCGKSA-N 2 2 238.331 1.290 50 0 BDAALP C[NH+](C)C[C@@H]1COCC[N@@H+](Cc2ccoc2)C1 ZINC000216277914 385863642 /nfs/dbraw/zinc/86/36/42/385863642.db2.gz PJZOCLIHFQEYFA-ZDUSSCGKSA-N 2 2 238.331 1.290 50 0 BDAALP Cc1cc(C)c(CNC(=O)[C@@H](C)[NH+](C)C)c[nH+]1 ZINC000426382908 386474202 /nfs/dbraw/zinc/47/42/02/386474202.db2.gz KODSVAUQURYHFH-LLVKDONJSA-N 2 2 235.331 1.265 50 0 BDAALP C(C1CC1)[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000089819091 388367998 /nfs/dbraw/zinc/36/79/98/388367998.db2.gz ZXMDIOSEGSHUES-CYBMUJFWSA-N 2 2 208.349 1.957 50 0 BDAALP C(C1CC1)[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000089819091 388367999 /nfs/dbraw/zinc/36/79/99/388367999.db2.gz ZXMDIOSEGSHUES-CYBMUJFWSA-N 2 2 208.349 1.957 50 0 BDAALP Cc1c[nH+]ccc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237800565 388595405 /nfs/dbraw/zinc/59/54/05/388595405.db2.gz DYKXPUIBKAEWHD-LLVKDONJSA-N 2 2 249.314 1.097 50 0 BDAALP CCc1[nH+]ccn1Cc1[nH+]ccc(OC)c1OC ZINC000188671982 172028109 /nfs/dbraw/zinc/02/81/09/172028109.db2.gz MJDUPLSTZLVPGC-UHFFFAOYSA-N 2 2 247.298 1.906 50 0 BDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(CO)c1 ZINC000534669292 323158762 /nfs/dbraw/zinc/15/87/62/323158762.db2.gz UTYFEYHIMBSBBG-GFCCVEGCSA-N 2 2 245.326 1.554 50 0 BDAALP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000221160970 526022297 /nfs/dbraw/zinc/02/22/97/526022297.db2.gz DXHZYCMQNLVEHM-CYBMUJFWSA-N 2 2 234.343 1.879 50 0 BDAALP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000221160970 526022312 /nfs/dbraw/zinc/02/23/12/526022312.db2.gz DXHZYCMQNLVEHM-CYBMUJFWSA-N 2 2 234.343 1.879 50 0 BDAALP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H](C)C[C@H]1[NH3+] ZINC000757207490 582560341 /nfs/dbraw/zinc/56/03/41/582560341.db2.gz BIPWZMLEUIJQDR-RGZBUGHASA-N 2 2 244.342 1.869 50 0 BDAALP Cn1c[nH+]cc1-c1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000952883972 974063600 /nfs/dbraw/zinc/06/36/00/974063600.db2.gz USCCCGVWRPTIBD-AWEZNQCLSA-N 2 2 243.310 1.748 50 0 BDAALP c1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c[nH]1 ZINC000170603119 361788877 /nfs/dbraw/zinc/78/88/77/361788877.db2.gz DPALHKLDBCUSEW-CYBMUJFWSA-N 2 2 230.315 1.876 50 0 BDAALP c1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c[nH]1 ZINC000170603119 361788882 /nfs/dbraw/zinc/78/88/82/361788882.db2.gz DPALHKLDBCUSEW-CYBMUJFWSA-N 2 2 230.315 1.876 50 0 BDAALP C[N@@H+]1CCC[C@H](CCNc2cc[nH+]cc2F)C1 ZINC000584903784 342736595 /nfs/dbraw/zinc/73/65/95/342736595.db2.gz PGYRDOPXIPCBDY-LLVKDONJSA-N 2 2 237.322 1.786 50 0 BDAALP C[N@H+]1CCC[C@H](CCNc2cc[nH+]cc2F)C1 ZINC000584903784 342736596 /nfs/dbraw/zinc/73/65/96/342736596.db2.gz PGYRDOPXIPCBDY-LLVKDONJSA-N 2 2 237.322 1.786 50 0 BDAALP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000020457115 342985674 /nfs/dbraw/zinc/98/56/74/342985674.db2.gz MOFLDIVZDXWOLI-LLVKDONJSA-N 2 2 206.289 1.315 50 0 BDAALP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000020457115 342985675 /nfs/dbraw/zinc/98/56/75/342985675.db2.gz MOFLDIVZDXWOLI-LLVKDONJSA-N 2 2 206.289 1.315 50 0 BDAALP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)CC12CC2 ZINC000034502149 343273538 /nfs/dbraw/zinc/27/35/38/343273538.db2.gz PGEGEJNTABPWJH-GFCCVEGCSA-N 2 2 202.301 1.610 50 0 BDAALP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)CC12CC2 ZINC000034502149 343273540 /nfs/dbraw/zinc/27/35/40/343273540.db2.gz PGEGEJNTABPWJH-GFCCVEGCSA-N 2 2 202.301 1.610 50 0 BDAALP CCc1nc(C)sc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000067723492 343902122 /nfs/dbraw/zinc/90/21/22/343902122.db2.gz XXLFVRQZSQBJJY-JTQLQIEISA-N 2 2 239.388 1.856 50 0 BDAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000090225595 344267177 /nfs/dbraw/zinc/26/71/77/344267177.db2.gz ZBQOOGNPIZZOFB-CYBMUJFWSA-N 2 2 234.343 1.966 50 0 BDAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000090225595 344267178 /nfs/dbraw/zinc/26/71/78/344267178.db2.gz ZBQOOGNPIZZOFB-CYBMUJFWSA-N 2 2 234.343 1.966 50 0 BDAALP c1ccc(C[N@@H+]2C[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000101392673 344421417 /nfs/dbraw/zinc/42/14/17/344421417.db2.gz HSZHVFDKBROTBA-OLZOCXBDSA-N 2 2 202.301 1.480 50 0 BDAALP c1ccc(C[N@H+]2C[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000101392673 344421418 /nfs/dbraw/zinc/42/14/18/344421418.db2.gz HSZHVFDKBROTBA-OLZOCXBDSA-N 2 2 202.301 1.480 50 0 BDAALP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000096477266 179183469 /nfs/dbraw/zinc/18/34/69/179183469.db2.gz GSYIJRXEHAVPNJ-TZMCWYRMSA-N 2 2 236.359 1.568 50 0 BDAALP Cc1cccn2c(C[NH2+][C@H](C)CO)c[nH+]c12 ZINC000065508146 179355099 /nfs/dbraw/zinc/35/50/99/179355099.db2.gz FLKFVLLPLAPAAU-SNVBAGLBSA-N 2 2 219.288 1.113 50 0 BDAALP Cc1cccnc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091846852 179378970 /nfs/dbraw/zinc/37/89/70/179378970.db2.gz ZPGHCCMTMXESNH-OLZOCXBDSA-N 2 2 231.343 1.559 50 0 BDAALP Cc1cccnc1C[N@H+]1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091846852 179378972 /nfs/dbraw/zinc/37/89/72/179378972.db2.gz ZPGHCCMTMXESNH-OLZOCXBDSA-N 2 2 231.343 1.559 50 0 BDAALP NC(=[NH2+])SCc1cn2ccccc2[nH+]1 ZINC000004032123 181192794 /nfs/dbraw/zinc/19/27/94/181192794.db2.gz DGQVXHAWNLXTKQ-UHFFFAOYSA-N 2 2 206.274 1.461 50 0 BDAALP [NH3+]C[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000039174831 384108330 /nfs/dbraw/zinc/10/83/30/384108330.db2.gz DVKWIWXLYIWZOT-LLVKDONJSA-N 2 2 234.299 1.511 50 0 BDAALP [NH3+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000012505748 384322840 /nfs/dbraw/zinc/32/28/40/384322840.db2.gz WJNJWJQZBZGWDM-UHFFFAOYSA-N 2 2 201.273 1.433 50 0 BDAALP Cc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)c(C)[nH+]1 ZINC000336726925 385941897 /nfs/dbraw/zinc/94/18/97/385941897.db2.gz VPOGSZGSGVBMSL-QMMMGPOBSA-N 2 2 243.257 1.619 50 0 BDAALP CC(C)n1cc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347050666 386204030 /nfs/dbraw/zinc/20/40/30/386204030.db2.gz QZTIDCWVOXAKIA-UHFFFAOYSA-N 2 2 236.363 1.648 50 0 BDAALP CC(C)n1cc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347050666 386204034 /nfs/dbraw/zinc/20/40/34/386204034.db2.gz QZTIDCWVOXAKIA-UHFFFAOYSA-N 2 2 236.363 1.648 50 0 BDAALP C[NH2+][C@@H](C)C(=O)NCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000299769990 386489819 /nfs/dbraw/zinc/48/98/19/386489819.db2.gz PZMRQBWXKXQTEN-QMMMGPOBSA-N 2 2 246.314 1.095 50 0 BDAALP C[NH2+][C@@H](C)C(=O)NCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000299769990 386489828 /nfs/dbraw/zinc/48/98/28/386489828.db2.gz PZMRQBWXKXQTEN-QMMMGPOBSA-N 2 2 246.314 1.095 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000585117077 386673923 /nfs/dbraw/zinc/67/39/23/386673923.db2.gz QKKZXAYMKLYGCD-CYBMUJFWSA-N 2 2 247.342 1.191 50 0 BDAALP CCCc1nc(N2CC[NH+](CC)CC2)cc(C)[nH+]1 ZINC000016606774 132323300 /nfs/dbraw/zinc/32/33/00/132323300.db2.gz VRNXBPFDTCCGCP-UHFFFAOYSA-N 2 2 248.374 1.879 50 0 BDAALP CC12CN3CC(C)(C[NH+](C1)C31CCCCC1)C2[NH3+] ZINC000097972120 168074487 /nfs/dbraw/zinc/07/44/87/168074487.db2.gz KWSSHNPZIBRXQM-UHFFFAOYSA-N 2 2 249.402 1.632 50 0 biogenic BDAALP CC[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC000053664421 170112112 /nfs/dbraw/zinc/11/21/12/170112112.db2.gz NPTBGAZVZJVVDZ-UHFFFAOYSA-N 2 2 219.332 1.908 50 0 BDAALP CCNc1cc[nH+]c(N(C)Cc2[nH]cc(C)[nH+]2)n1 ZINC000065468939 170175490 /nfs/dbraw/zinc/17/54/90/170175490.db2.gz IVJPRWYVTZMENG-UHFFFAOYSA-N 2 2 246.318 1.576 50 0 BDAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccoc3)C2)CC1 ZINC000097729751 173091776 /nfs/dbraw/zinc/09/17/76/173091776.db2.gz KAEXZCMYGQYCTL-CQSZACIVSA-N 2 2 249.358 1.101 50 0 BDAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000097729751 173091779 /nfs/dbraw/zinc/09/17/79/173091779.db2.gz KAEXZCMYGQYCTL-CQSZACIVSA-N 2 2 249.358 1.101 50 0 BDAALP C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000037469304 173323414 /nfs/dbraw/zinc/32/34/14/173323414.db2.gz VMZLTORMMGHBTN-UHFFFAOYSA-N 2 2 205.305 1.265 50 0 BDAALP C[NH2+][C@@H](C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000022927813 173423592 /nfs/dbraw/zinc/42/35/92/173423592.db2.gz KPNNICFJNNQFMX-ZDUSSCGKSA-N 3 2 225.380 1.012 50 0 BDAALP COc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000038539631 175258062 /nfs/dbraw/zinc/25/80/62/175258062.db2.gz ZMINKSKHTHKJES-LBPRGKRZSA-N 2 2 220.316 1.618 50 0 BDAALP COc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000038539631 175258064 /nfs/dbraw/zinc/25/80/64/175258064.db2.gz ZMINKSKHTHKJES-LBPRGKRZSA-N 2 2 220.316 1.618 50 0 BDAALP C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000049714041 487777236 /nfs/dbraw/zinc/77/72/36/487777236.db2.gz IKRARZMUTGSISN-SKDRFNHKSA-N 2 2 239.388 1.881 50 0 BDAALP C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000049714041 487777239 /nfs/dbraw/zinc/77/72/39/487777239.db2.gz IKRARZMUTGSISN-SKDRFNHKSA-N 2 2 239.388 1.881 50 0 BDAALP CC(C)c1[nH+]ccn1CC[NH+]1CCC(O)CC1 ZINC000071735525 711086371 /nfs/dbraw/zinc/08/63/71/711086371.db2.gz DJGDCFFZVUJYER-UHFFFAOYSA-N 2 2 237.347 1.463 50 0 BDAALP [NH3+][C@@H](CCn1cc[nH+]c1)c1ccccc1 ZINC000004343555 342746853 /nfs/dbraw/zinc/74/68/53/342746853.db2.gz PCQUTABEOMKBTK-LBPRGKRZSA-N 2 2 201.273 1.973 50 0 BDAALP Cn1c[nH+]cc1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000067587273 398329128 /nfs/dbraw/zinc/32/91/28/398329128.db2.gz MKNDXEFCGLBYHU-SNVBAGLBSA-N 2 2 229.283 1.349 50 0 BDAALP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CC[NH+](C)CC1 ZINC000000182771 343268948 /nfs/dbraw/zinc/26/89/48/343268948.db2.gz RGWCSHVMKHVOCE-CYBMUJFWSA-N 3 2 225.380 1.155 50 0 BDAALP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CC[NH+](C)CC1 ZINC000000182771 343268950 /nfs/dbraw/zinc/26/89/50/343268950.db2.gz RGWCSHVMKHVOCE-CYBMUJFWSA-N 3 2 225.380 1.155 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@H](C)Cn1cncn1 ZINC000585141989 344174222 /nfs/dbraw/zinc/17/42/22/344174222.db2.gz KRTOMNOCZGMCBB-GFCCVEGCSA-N 2 2 245.330 1.202 50 0 BDAALP CC[NH+]1CCC([NH2+]Cc2c[nH]nc2C)CC1 ZINC000038011102 350296457 /nfs/dbraw/zinc/29/64/57/350296457.db2.gz JSAOUXXYRHFEKO-UHFFFAOYSA-N 2 2 222.336 1.292 50 0 BDAALP [NH3+]CC[NH+]1CCC(c2ccsc2)CC1 ZINC000090397599 181391423 /nfs/dbraw/zinc/39/14/23/181391423.db2.gz KZGBDBXGAHPKPE-UHFFFAOYSA-N 2 2 210.346 1.886 50 0 BDAALP CC(C)[C@@H](CNc1cc[nH+]cc1F)[NH+](C)C ZINC000584891126 369038143 /nfs/dbraw/zinc/03/81/43/369038143.db2.gz SENRHSGWHJECTA-GFCCVEGCSA-N 2 2 225.311 1.641 50 0 BDAALP Cc1[nH+]c[nH]c1CN(C)C[C@H]1CCCC[N@@H+]1C ZINC000584894630 369041948 /nfs/dbraw/zinc/04/19/48/369041948.db2.gz QAKMYEJJYXBMQD-GFCCVEGCSA-N 2 2 236.363 1.634 50 0 BDAALP Cc1[nH+]c[nH]c1CN(C)C[C@H]1CCCC[N@H+]1C ZINC000584894630 369041953 /nfs/dbraw/zinc/04/19/53/369041953.db2.gz QAKMYEJJYXBMQD-GFCCVEGCSA-N 2 2 236.363 1.634 50 0 BDAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000067803349 182392651 /nfs/dbraw/zinc/39/26/51/182392651.db2.gz ZDKKQCYCCINFFT-JTQLQIEISA-N 2 2 248.330 1.300 50 0 BDAALP c1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000253596178 183393979 /nfs/dbraw/zinc/39/39/79/183393979.db2.gz ODYLTZRECSDWCJ-CABCVRRESA-N 2 2 230.355 1.913 50 0 BDAALP c1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000253596178 183393980 /nfs/dbraw/zinc/39/39/80/183393980.db2.gz ODYLTZRECSDWCJ-CABCVRRESA-N 2 2 230.355 1.913 50 0 BDAALP C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904504 383920888 /nfs/dbraw/zinc/92/08/88/383920888.db2.gz XYFAEHZVQWTOPH-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904504 383920891 /nfs/dbraw/zinc/92/08/91/383920891.db2.gz XYFAEHZVQWTOPH-ZDUSSCGKSA-N 2 2 204.317 1.870 50 0 BDAALP c1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC000037246753 383964872 /nfs/dbraw/zinc/96/48/72/383964872.db2.gz JITYCRYXIKJRBA-CQSZACIVSA-N 2 2 216.328 1.797 50 0 BDAALP c1ccc2c(c1)CC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC000037246753 383964877 /nfs/dbraw/zinc/96/48/77/383964877.db2.gz JITYCRYXIKJRBA-CQSZACIVSA-N 2 2 216.328 1.797 50 0 BDAALP Cc1nc(NCc2ccc[nH+]c2N)c(C)c(C)[nH+]1 ZINC000091350627 384121206 /nfs/dbraw/zinc/12/12/06/384121206.db2.gz KKXQVHWLDLFZAP-UHFFFAOYSA-N 2 2 243.314 1.991 50 0 BDAALP c1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000021982805 384712656 /nfs/dbraw/zinc/71/26/56/384712656.db2.gz AFYZAHZKOFBVLE-KGLIPLIRSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000021982805 384712660 /nfs/dbraw/zinc/71/26/60/384712660.db2.gz AFYZAHZKOFBVLE-KGLIPLIRSA-N 2 2 216.328 1.870 50 0 BDAALP Cc1c[nH+]c(C2C[NH2+]C2)n1Cc1ccccc1 ZINC000169676729 385417347 /nfs/dbraw/zinc/41/73/47/385417347.db2.gz XYUHJPHWTNERRF-UHFFFAOYSA-N 2 2 227.311 1.927 50 0 BDAALP c1cncc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000035054369 386564064 /nfs/dbraw/zinc/56/40/64/386564064.db2.gz DWFGWUGKKQBTJG-UHFFFAOYSA-N 2 2 231.343 1.798 50 0 BDAALP CCn1c[nH+]cc1CN(C)CC[NH+]1CCCC1 ZINC000418066000 387080748 /nfs/dbraw/zinc/08/07/48/387080748.db2.gz KXAPTOQAYZGLDR-UHFFFAOYSA-N 2 2 236.363 1.431 50 0 BDAALP [NH3+]C[C@@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000020398405 397964240 /nfs/dbraw/zinc/96/42/40/397964240.db2.gz GQVFSFGUACRUIX-CYBMUJFWSA-N 2 2 204.317 1.652 50 0 BDAALP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000090648011 171389075 /nfs/dbraw/zinc/38/90/75/171389075.db2.gz RZIAIXBWOVJRFH-RWMBFGLXSA-N 2 2 225.380 1.010 50 0 BDAALP C[N@@H+](Cc1cncs1)C[C@H]1CC[NH+](C)C1 ZINC000121006158 173144157 /nfs/dbraw/zinc/14/41/57/173144157.db2.gz OFLNOLQYBKDGKM-JTQLQIEISA-N 2 2 225.361 1.527 50 0 BDAALP C[N@H+](Cc1cncs1)C[C@H]1CC[NH+](C)C1 ZINC000121006158 173144161 /nfs/dbraw/zinc/14/41/61/173144161.db2.gz OFLNOLQYBKDGKM-JTQLQIEISA-N 2 2 225.361 1.527 50 0 BDAALP C[NH+](Cc1cncs1)C[C@H]1CC[N@H+](C)C1 ZINC000121006158 173144163 /nfs/dbraw/zinc/14/41/63/173144163.db2.gz OFLNOLQYBKDGKM-JTQLQIEISA-N 2 2 225.361 1.527 50 0 BDAALP C[NH+](Cc1cncs1)C[C@H]1CC[N@@H+](C)C1 ZINC000121006158 173144166 /nfs/dbraw/zinc/14/41/66/173144166.db2.gz OFLNOLQYBKDGKM-JTQLQIEISA-N 2 2 225.361 1.527 50 0 BDAALP C[NH2+]CCn1cc[nH+]c1-c1ccccc1 ZINC000016941537 173361765 /nfs/dbraw/zinc/36/17/65/173361765.db2.gz FORNTXGZMTXMAR-UHFFFAOYSA-N 2 2 201.273 1.770 50 0 BDAALP CNc1cc(C[NH+](C)C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000072343595 173473717 /nfs/dbraw/zinc/47/37/17/173473717.db2.gz QFHQCUFVPKBAAL-LLVKDONJSA-N 2 2 249.362 1.395 50 0 BDAALP COc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1OC ZINC000032497097 175178190 /nfs/dbraw/zinc/17/81/90/175178190.db2.gz UEMUYGSFWRCGFY-SNVBAGLBSA-N 2 2 224.304 1.265 50 0 BDAALP COc1ccc([C@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000019254949 175192058 /nfs/dbraw/zinc/19/20/58/175192058.db2.gz PCUWBOCJLTYKKA-CYBMUJFWSA-N 2 2 220.316 1.791 50 0 BDAALP COc1cc[nH+]c(CN(C)CC[NH+]2CCCC2)c1 ZINC000097085943 175359258 /nfs/dbraw/zinc/35/92/58/175359258.db2.gz VMLJXHVERQGCAK-UHFFFAOYSA-N 2 2 249.358 1.618 50 0 BDAALP CCC1=NO[C@H](C[N@@H+]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000670433921 487485641 /nfs/dbraw/zinc/48/56/41/487485641.db2.gz DXHUNOPLFRMNKB-NSHDSACASA-N 2 2 248.330 1.631 50 0 BDAALP CCC1=NO[C@H](C[N@H+]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000670433921 487485647 /nfs/dbraw/zinc/48/56/47/487485647.db2.gz DXHUNOPLFRMNKB-NSHDSACASA-N 2 2 248.330 1.631 50 0 BDAALP Cn1cc[nH+]c1CN(C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000244795833 527430891 /nfs/dbraw/zinc/43/08/91/527430891.db2.gz ROJZHKPHVZPZRF-CYBMUJFWSA-N 2 2 248.374 1.479 50 0 BDAALP Cn1cc[nH+]c1CN(C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000244795833 527430894 /nfs/dbraw/zinc/43/08/94/527430894.db2.gz ROJZHKPHVZPZRF-CYBMUJFWSA-N 2 2 248.374 1.479 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@H](C)[C@@H]1[NH3+] ZINC000757215165 586440280 /nfs/dbraw/zinc/44/02/80/586440280.db2.gz VCEHOPBFEHPPBR-HERUPUMHSA-N 2 2 244.342 1.869 50 0 BDAALP C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000000199380 642750283 /nfs/dbraw/zinc/75/02/83/642750283.db2.gz DWPXXCBLOAGELH-UHFFFAOYSA-N 2 2 208.305 1.806 50 0 BDAALP C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000000199380 642750293 /nfs/dbraw/zinc/75/02/93/642750293.db2.gz DWPXXCBLOAGELH-UHFFFAOYSA-N 2 2 208.305 1.806 50 0 BDAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC000952985272 644446448 /nfs/dbraw/zinc/44/64/48/644446448.db2.gz ANIMSMKOMNHZJR-GFCCVEGCSA-N 2 2 230.315 1.847 50 0 BDAALP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCc1[nH]cc[nH+]1 ZINC000821181749 968485016 /nfs/dbraw/zinc/48/50/16/968485016.db2.gz KNZZNSHRQKBIEN-LLVKDONJSA-N 3 2 247.346 1.526 50 0 BDAALP OC[C@@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1 ZINC000019093981 136208386 /nfs/dbraw/zinc/20/83/86/136208386.db2.gz ARSAGVGSZLEXHZ-CYBMUJFWSA-N 2 2 231.299 1.103 50 0 BDAALP OC[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1 ZINC000019093981 136208387 /nfs/dbraw/zinc/20/83/87/136208387.db2.gz ARSAGVGSZLEXHZ-CYBMUJFWSA-N 2 2 231.299 1.103 50 0 BDAALP COCc1[nH+]cc(C)n1[C@@H]1CCC[NH2+]C1 ZINC000169793049 347096824 /nfs/dbraw/zinc/09/68/24/347096824.db2.gz GQPAGFFKBIWSOW-SNVBAGLBSA-N 2 2 209.293 1.262 50 0 BDAALP Cc1cccc(N(C)Cc2[nH+]ccn2C)[nH+]1 ZINC000097163233 179117823 /nfs/dbraw/zinc/11/78/23/179117823.db2.gz RCZZGPZVXRNZHK-UHFFFAOYSA-N 2 2 216.288 1.760 50 0 BDAALP Cc1[nH+]c2ccc(F)cn2c1CN1CC[NH2+]CC1 ZINC000036239923 180093462 /nfs/dbraw/zinc/09/34/62/180093462.db2.gz OGBBZDITLNQJIL-UHFFFAOYSA-N 2 2 248.305 1.187 50 0 BDAALP NC(=[NH2+])NCCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000021984694 181190047 /nfs/dbraw/zinc/19/00/47/181190047.db2.gz PKYZOSADJSOBFD-UHFFFAOYSA-N 2 2 235.266 1.118 50 0 BDAALP Cc1ncc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000351590056 356023560 /nfs/dbraw/zinc/02/35/60/356023560.db2.gz PYOBFISVCRIDJV-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP Cc1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000351590056 356023562 /nfs/dbraw/zinc/02/35/62/356023562.db2.gz PYOBFISVCRIDJV-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000351590056 356023564 /nfs/dbraw/zinc/02/35/64/356023564.db2.gz PYOBFISVCRIDJV-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000351590056 356023565 /nfs/dbraw/zinc/02/35/65/356023565.db2.gz PYOBFISVCRIDJV-ZDUSSCGKSA-N 2 2 248.374 1.559 50 0 BDAALP c1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000096663754 183392945 /nfs/dbraw/zinc/39/29/45/183392945.db2.gz ODYLTZRECSDWCJ-HUUCEWRRSA-N 2 2 230.355 1.913 50 0 BDAALP c1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000096663754 183392948 /nfs/dbraw/zinc/39/29/48/183392948.db2.gz ODYLTZRECSDWCJ-HUUCEWRRSA-N 2 2 230.355 1.913 50 0 BDAALP c1[nH]cc(CC[NH2+]C2Cc3ccccc3C2)[nH+]1 ZINC000003683626 384023067 /nfs/dbraw/zinc/02/30/67/384023067.db2.gz QWAHDSYZBXRJDY-UHFFFAOYSA-N 2 2 227.311 1.709 50 0 BDAALP c1[nH]c(CC[NH2+]C2Cc3ccccc3C2)c[nH+]1 ZINC000003683626 384023071 /nfs/dbraw/zinc/02/30/71/384023071.db2.gz QWAHDSYZBXRJDY-UHFFFAOYSA-N 2 2 227.311 1.709 50 0 BDAALP C[C@H]1OCC[C@@]1(C)[NH2+]CC[NH+]1CCCCC1 ZINC000309828616 384184144 /nfs/dbraw/zinc/18/41/44/384184144.db2.gz XXPPZZYJYFKPQZ-CHWSQXEVSA-N 2 2 226.364 1.629 50 0 BDAALP C[NH+](C)C[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000012955308 384343551 /nfs/dbraw/zinc/34/35/51/384343551.db2.gz BACUERBVBVPLKR-LBPRGKRZSA-N 3 2 225.380 1.012 50 0 BDAALP C[NH+](C)C[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000012955308 384343554 /nfs/dbraw/zinc/34/35/54/384343554.db2.gz BACUERBVBVPLKR-LBPRGKRZSA-N 3 2 225.380 1.012 50 0 BDAALP c1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000082369454 384675511 /nfs/dbraw/zinc/67/55/11/384675511.db2.gz PYVXWWICILLOFY-ZIAGYGMSSA-N 2 2 216.328 1.870 50 0 BDAALP c1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000082369454 384675518 /nfs/dbraw/zinc/67/55/18/384675518.db2.gz PYVXWWICILLOFY-ZIAGYGMSSA-N 2 2 216.328 1.870 50 0 BDAALP C[NH+](C)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022045017 384726006 /nfs/dbraw/zinc/72/60/06/384726006.db2.gz CXUOYTDMRQVDJC-UHFFFAOYSA-N 2 2 222.376 1.962 50 0 BDAALP CC(C)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000023094243 384787386 /nfs/dbraw/zinc/78/73/86/384787386.db2.gz RUZNMAAWLDJWOC-UHFFFAOYSA-N 2 2 204.317 1.782 50 0 BDAALP CC(C)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000023094243 384787392 /nfs/dbraw/zinc/78/73/92/384787392.db2.gz RUZNMAAWLDJWOC-UHFFFAOYSA-N 2 2 204.317 1.782 50 0 BDAALP Cc1c[nH+]c(-c2cccnc2)n1CC1C[NH2+]C1 ZINC000253397115 388590120 /nfs/dbraw/zinc/59/01/20/388590120.db2.gz BJLLDPSFXQJAEC-UHFFFAOYSA-N 2 2 228.299 1.473 50 0 BDAALP CC(C)COCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000095421091 388769284 /nfs/dbraw/zinc/76/92/84/388769284.db2.gz VQLMPGCPYJDUGT-LBPRGKRZSA-N 2 2 226.364 1.485 50 0 BDAALP CC(C)COCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000095421091 388769288 /nfs/dbraw/zinc/76/92/88/388769288.db2.gz VQLMPGCPYJDUGT-LBPRGKRZSA-N 2 2 226.364 1.485 50 0 BDAALP C[NH+](C)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000008374469 132318636 /nfs/dbraw/zinc/31/86/36/132318636.db2.gz GRJIAPLFQXLDJJ-UHFFFAOYSA-N 2 2 205.305 1.162 50 0 BDAALP Cc1c[nH]c(CN2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)[nH+]1 ZINC000670471643 487529599 /nfs/dbraw/zinc/52/95/99/487529599.db2.gz RPSPOHTWCXNBTP-STQMWFEESA-N 2 2 248.374 1.634 50 0 BDAALP Cc1c[nH]c(CN2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)[nH+]1 ZINC000670471643 487529601 /nfs/dbraw/zinc/52/96/01/487529601.db2.gz RPSPOHTWCXNBTP-STQMWFEESA-N 2 2 248.374 1.634 50 0 BDAALP CC[NH+](CC)CCC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000248954672 411172186 /nfs/dbraw/zinc/17/21/86/411172186.db2.gz BJXFTPPTFODYIE-CHWSQXEVSA-N 2 2 228.380 1.828 50 0 BDAALP CC[NH+](CC)CCC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000248954672 411172191 /nfs/dbraw/zinc/17/21/91/411172191.db2.gz BJXFTPPTFODYIE-CHWSQXEVSA-N 2 2 228.380 1.828 50 0 BDAALP CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000450827152 411812650 /nfs/dbraw/zinc/81/26/50/411812650.db2.gz HHVBDIIKYNTATG-SNVBAGLBSA-N 2 2 245.330 2.483 50 0 BDAALP CCn1c2ccccc2[nH+]c1N1CCC([NH3+])CC1 ZINC000043220236 172146432 /nfs/dbraw/zinc/14/64/32/172146432.db2.gz RSEZCSZICHDHOC-UHFFFAOYSA-N 2 2 244.342 1.984 50 0 BDAALP C[C@H](CCn1cccn1)[NH2+]CCc1[nH]cc[nH+]1 ZINC000534581860 323154004 /nfs/dbraw/zinc/15/40/04/323154004.db2.gz XZRVTMSTCRKZOW-LLVKDONJSA-N 2 2 233.319 1.217 50 0 BDAALP C[C@@H](CCn1cccn1)[NH2+]CCc1[nH]cc[nH+]1 ZINC000534581864 323154070 /nfs/dbraw/zinc/15/40/70/323154070.db2.gz XZRVTMSTCRKZOW-NSHDSACASA-N 2 2 233.319 1.217 50 0 BDAALP CC[NH+](CC)CC(=O)NCc1c[nH+]c(C)c(C)c1 ZINC000670446669 487496587 /nfs/dbraw/zinc/49/65/87/487496587.db2.gz KGKIOQKILMEEAI-UHFFFAOYSA-N 2 2 249.358 1.656 50 0 BDAALP Cn1cc[nH+]c1CC[N@H+](C)CCC(C)(C)O ZINC000670461581 487514225 /nfs/dbraw/zinc/51/42/25/487514225.db2.gz MNFONCYXTCBECW-UHFFFAOYSA-N 2 2 225.336 1.055 50 0 BDAALP Cn1cc[nH+]c1CC[N@@H+](C)CCC(C)(C)O ZINC000670461581 487514231 /nfs/dbraw/zinc/51/42/31/487514231.db2.gz MNFONCYXTCBECW-UHFFFAOYSA-N 2 2 225.336 1.055 50 0 BDAALP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221150598 527635919 /nfs/dbraw/zinc/63/59/19/527635919.db2.gz RUTJLJZZYSBXLH-GFCCVEGCSA-N 2 2 236.363 1.221 50 0 BDAALP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221150598 527635926 /nfs/dbraw/zinc/63/59/26/527635926.db2.gz RUTJLJZZYSBXLH-GFCCVEGCSA-N 2 2 236.363 1.221 50 0 BDAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2ccccc2[nH]1 ZINC000019272150 342944997 /nfs/dbraw/zinc/94/49/97/342944997.db2.gz NCYRLNWTVLLSHF-VIFPVBQESA-N 2 2 227.271 1.529 50 0 BDAALP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc2ccccc2[nH]1 ZINC000019272150 342944998 /nfs/dbraw/zinc/94/49/98/342944998.db2.gz NCYRLNWTVLLSHF-VIFPVBQESA-N 2 2 227.271 1.529 50 0 BDAALP CC[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000020140614 342971584 /nfs/dbraw/zinc/97/15/84/342971584.db2.gz MEMKYSORPVEPEL-UHFFFAOYSA-N 2 2 219.332 1.656 50 0 BDAALP C[C@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000035602160 343299154 /nfs/dbraw/zinc/29/91/54/343299154.db2.gz WIZHUUSXTOOWCZ-UKRRQHHQSA-N 2 2 248.370 1.621 50 0 BDAALP C[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000035602160 343299157 /nfs/dbraw/zinc/29/91/57/343299157.db2.gz WIZHUUSXTOOWCZ-UKRRQHHQSA-N 2 2 248.370 1.621 50 0 BDAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cn1cncn1 ZINC000585141990 344174322 /nfs/dbraw/zinc/17/43/22/344174322.db2.gz KRTOMNOCZGMCBB-LBPRGKRZSA-N 2 2 245.330 1.202 50 0 BDAALP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000096477260 179182677 /nfs/dbraw/zinc/18/26/77/179182677.db2.gz GSYIJRXEHAVPNJ-OCCSQVGLSA-N 2 2 236.359 1.568 50 0 BDAALP c1cc2cccc(C[N@@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)c2[nH]1 ZINC000426374109 191025784 /nfs/dbraw/zinc/02/57/84/191025784.db2.gz BUENYIUJELEMQS-GXTWGEPZSA-N 2 2 241.338 1.962 50 0 BDAALP c1cc2cccc(C[N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)c2[nH]1 ZINC000426374109 191025787 /nfs/dbraw/zinc/02/57/87/191025787.db2.gz BUENYIUJELEMQS-GXTWGEPZSA-N 2 2 241.338 1.962 50 0 BDAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccnc1N ZINC000216493941 180252821 /nfs/dbraw/zinc/25/28/21/180252821.db2.gz ZJPAFTSIKIZKNR-UHFFFAOYSA-N 2 2 245.330 1.301 50 0 BDAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccnc1N ZINC000216493941 180252828 /nfs/dbraw/zinc/25/28/28/180252828.db2.gz ZJPAFTSIKIZKNR-UHFFFAOYSA-N 2 2 245.330 1.301 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[N@@H+]1C ZINC000089920297 538586140 /nfs/dbraw/zinc/58/61/40/538586140.db2.gz SBOGPHNXAYIKSA-SJHCENCUSA-N 2 2 238.375 1.482 50 0 BDAALP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[N@H+]1C ZINC000089920297 538586149 /nfs/dbraw/zinc/58/61/49/538586149.db2.gz SBOGPHNXAYIKSA-SJHCENCUSA-N 2 2 238.375 1.482 50 0 BDAALP Cc1c[nH]c(CN(C)C[C@@H]2CCC[N@H+]2C)[nH+]1 ZINC000584885820 369034510 /nfs/dbraw/zinc/03/45/10/369034510.db2.gz LOTZLNLAMJLXFM-NSHDSACASA-N 2 2 222.336 1.244 50 0 BDAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(CO)CCC1 ZINC000584887063 369034785 /nfs/dbraw/zinc/03/47/85/369034785.db2.gz NJURGPIALOQVPF-LLVKDONJSA-N 2 2 223.320 1.024 50 0 BDAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nonc1C ZINC000584891489 369038260 /nfs/dbraw/zinc/03/82/60/369038260.db2.gz CAAMMHJACAHGBT-VIFPVBQESA-N 2 2 249.318 1.315 50 0 BDAALP [NH3+][C@@H](C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000019821258 371192723 /nfs/dbraw/zinc/19/27/23/371192723.db2.gz YQZODDBPSPWKIQ-LBPRGKRZSA-N 2 2 208.280 1.921 50 0 BDAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084615157 183351787 /nfs/dbraw/zinc/35/17/87/183351787.db2.gz OXYKYMSZFZTWLK-CYBMUJFWSA-N 2 2 242.326 1.945 50 0 BDAALP Cc1noc(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000037248731 383964963 /nfs/dbraw/zinc/96/49/63/383964963.db2.gz IQHKGCDQZNGUAB-UHFFFAOYSA-N 2 2 223.320 1.475 50 0 BDAALP CC[C@H](CO)[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000097096512 384334135 /nfs/dbraw/zinc/33/41/35/384334135.db2.gz XWTNTHCFTSJZBF-CYBMUJFWSA-N 2 2 249.358 1.283 50 0 BDAALP c1cn(Cc2ccccn2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032242 384421557 /nfs/dbraw/zinc/42/15/57/384421557.db2.gz LXRFZDFSKFBKCH-GFCCVEGCSA-N 2 2 242.326 1.793 50 0 BDAALP C[NH2+][C@@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000019735489 384534969 /nfs/dbraw/zinc/53/49/69/384534969.db2.gz QZWNATGKKLVYRO-CQSZACIVSA-N 2 2 248.370 1.922 50 0 BDAALP C[NH2+][C@@H]1CCC[N@@H+](CCc2ccccc2OC)C1 ZINC000019735489 384534975 /nfs/dbraw/zinc/53/49/75/384534975.db2.gz QZWNATGKKLVYRO-CQSZACIVSA-N 2 2 248.370 1.922 50 0 BDAALP COc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000054979089 384862139 /nfs/dbraw/zinc/86/21/39/384862139.db2.gz UOUUTIRWUAPTJI-UHFFFAOYSA-N 2 2 222.332 1.737 50 0 BDAALP CC1(C)CC([NH2+]Cc2ncc[nH]2)CC(C)(C)[NH2+]1 ZINC000049714709 387004700 /nfs/dbraw/zinc/00/47/00/387004700.db2.gz NOXDMJFZUKIYIF-UHFFFAOYSA-N 2 2 236.363 1.809 50 0 BDAALP CC1(C)CC(NCc2[nH]cc[nH+]2)CC(C)(C)[NH2+]1 ZINC000049714709 387004703 /nfs/dbraw/zinc/00/47/03/387004703.db2.gz NOXDMJFZUKIYIF-UHFFFAOYSA-N 2 2 236.363 1.809 50 0 BDAALP c1cn(CCc2c[nH]c[nH+]2)c([C@@H]2CCOC2)[nH+]1 ZINC000067884724 388408310 /nfs/dbraw/zinc/40/83/10/388408310.db2.gz LEJCIDZMNRHZKD-SNVBAGLBSA-N 2 2 232.287 1.353 50 0 BDAALP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+](C)C)c(C)c1 ZINC000069708326 388424983 /nfs/dbraw/zinc/42/49/83/388424983.db2.gz QBZVFOUPBRKSIB-CQSZACIVSA-N 2 2 236.359 1.316 50 0 BDAALP [NH3+]C[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000084085843 135182840 /nfs/dbraw/zinc/18/28/40/135182840.db2.gz XTIBMGMFXHFUOX-VIFPVBQESA-N 2 2 225.723 1.516 50 0 BDAALP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000084085843 135182841 /nfs/dbraw/zinc/18/28/41/135182841.db2.gz XTIBMGMFXHFUOX-VIFPVBQESA-N 2 2 225.723 1.516 50 0 BDAALP CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000022028691 170151428 /nfs/dbraw/zinc/15/14/28/170151428.db2.gz ZSIUSRJKSLXIJH-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022028691 170151430 /nfs/dbraw/zinc/15/14/30/170151430.db2.gz ZSIUSRJKSLXIJH-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP Cn1cccc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084321872 488045040 /nfs/dbraw/zinc/04/50/40/488045040.db2.gz CJIGSLZURPIDIC-GFCCVEGCSA-N 2 2 244.342 1.889 50 0 BDAALP Cn1c[nH+]cc1CN1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2 ZINC000670472602 487533402 /nfs/dbraw/zinc/53/34/02/487533402.db2.gz LNNAMHXFLDJLPC-STQMWFEESA-N 2 2 248.374 1.336 50 0 BDAALP Cn1c[nH+]cc1CN1C[C@H]2CCC[C@@H](C1)[N@@H+](C)C2 ZINC000670472602 487533408 /nfs/dbraw/zinc/53/34/08/487533408.db2.gz LNNAMHXFLDJLPC-STQMWFEESA-N 2 2 248.374 1.336 50 0 BDAALP CC[N@@H+]1CCC[C@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000046087890 583151134 /nfs/dbraw/zinc/15/11/34/583151134.db2.gz ZHGARTLEEXHEKU-AWEZNQCLSA-N 2 2 249.358 1.018 50 0 BDAALP CC[N@H+]1CCC[C@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000046087890 583151136 /nfs/dbraw/zinc/15/11/36/583151136.db2.gz ZHGARTLEEXHEKU-AWEZNQCLSA-N 2 2 249.358 1.018 50 0 BDAALP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071372322 592265503 /nfs/dbraw/zinc/26/55/03/592265503.db2.gz LKKXFOJWYTZUTH-WCQYABFASA-N 2 2 220.316 1.235 50 0 BDAALP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071372322 592265505 /nfs/dbraw/zinc/26/55/05/592265505.db2.gz LKKXFOJWYTZUTH-WCQYABFASA-N 2 2 220.316 1.235 50 0 BDAALP Nc1cc(-c2cccc3c2CC[NH2+]C3)cc[nH+]1 ZINC000071682045 711084133 /nfs/dbraw/zinc/08/41/33/711084133.db2.gz GPBWESIDUQFSQW-UHFFFAOYSA-N 2 2 225.295 1.977 50 0 BDAALP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCSC1 ZINC000022455866 343049333 /nfs/dbraw/zinc/04/93/33/343049333.db2.gz SFTWTHVKSGANSI-LLVKDONJSA-N 2 2 214.378 1.567 50 0 BDAALP c1cn(-c2ccccc2C[NH2+][C@H]2CCOC2)c[nH+]1 ZINC000088688230 343276266 /nfs/dbraw/zinc/27/62/66/343276266.db2.gz XFDLOLSRHSYISQ-ZDUSSCGKSA-N 2 2 243.310 1.751 50 0 BDAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000090225596 344267382 /nfs/dbraw/zinc/26/73/82/344267382.db2.gz ZBQOOGNPIZZOFB-ZDUSSCGKSA-N 2 2 234.343 1.966 50 0 BDAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000090225596 344267385 /nfs/dbraw/zinc/26/73/85/344267385.db2.gz ZBQOOGNPIZZOFB-ZDUSSCGKSA-N 2 2 234.343 1.966 50 0 BDAALP CCc1c[nH+]c(C)nc1N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091848760 344285669 /nfs/dbraw/zinc/28/56/69/344285669.db2.gz NIHUSBXMRQODJT-OLZOCXBDSA-N 2 2 246.358 1.521 50 0 BDAALP CCCC12C[NH2+]CC(CCC)(C[NH2+]C1)C2=O ZINC000020102137 347407156 /nfs/dbraw/zinc/40/71/56/347407156.db2.gz ZGBNJTORAPCVCQ-UHFFFAOYSA-N 2 2 224.348 1.335 50 0 BDAALP CC(C)[NH+](C[C@@]1(O)CCC[N@H+](C)C1)C(C)C ZINC000041123527 191064031 /nfs/dbraw/zinc/06/40/31/191064031.db2.gz ZDDZIJUZCWWYSS-CYBMUJFWSA-N 2 2 228.380 1.562 50 0 BDAALP CC(C)[NH+](C[C@@]1(O)CCC[N@@H+](C)C1)C(C)C ZINC000041123527 191064033 /nfs/dbraw/zinc/06/40/33/191064033.db2.gz ZDDZIJUZCWWYSS-CYBMUJFWSA-N 2 2 228.380 1.562 50 0 BDAALP CC(C)([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000019685458 535199332 /nfs/dbraw/zinc/19/93/32/535199332.db2.gz VHBCSGDLYUIWQW-UHFFFAOYSA-N 2 2 233.359 1.546 50 0 BDAALP NC(=[NH2+])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000006095615 181187417 /nfs/dbraw/zinc/18/74/17/181187417.db2.gz KSSXEGOOTUHNCU-QPJJXVBHSA-N 2 2 244.342 1.211 50 0 BDAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCOCC1)CCC2 ZINC000095402071 360337229 /nfs/dbraw/zinc/33/72/29/360337229.db2.gz PGUBUILZWIOXIC-LBPRGKRZSA-N 2 2 249.358 1.838 50 0 BDAALP [NH3+]CC[NH+]1CCC(c2ccccn2)CC1 ZINC000057493507 181391479 /nfs/dbraw/zinc/39/14/79/181391479.db2.gz VDASKFSPCWAOOM-UHFFFAOYSA-N 2 2 205.305 1.220 50 0 BDAALP Cc1[nH+]c2cc(C[NH2+][C@H]3CCOC3)ccc2n1C ZINC000584898746 369045405 /nfs/dbraw/zinc/04/54/05/369045405.db2.gz WUJVFEIQBGHDKW-LBPRGKRZSA-N 2 2 245.326 1.760 50 0 BDAALP CC[N@H+](CC1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000067758979 383943836 /nfs/dbraw/zinc/94/38/36/383943836.db2.gz XZTZYCWJCCPVGZ-CYBMUJFWSA-N 2 2 226.364 1.487 50 0 BDAALP CC[N@@H+](CC1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000067758979 383943842 /nfs/dbraw/zinc/94/38/42/383943842.db2.gz XZTZYCWJCCPVGZ-CYBMUJFWSA-N 2 2 226.364 1.487 50 0 BDAALP C[NH+](C)CCC[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC000004342925 384056018 /nfs/dbraw/zinc/05/60/18/384056018.db2.gz XRHMZCPDNZTCHO-STQMWFEESA-N 2 2 238.375 1.772 50 0 BDAALP C[NH+](C)CCC[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC000004342925 384056022 /nfs/dbraw/zinc/05/60/22/384056022.db2.gz XRHMZCPDNZTCHO-STQMWFEESA-N 2 2 238.375 1.772 50 0 BDAALP CC[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000075772308 384337350 /nfs/dbraw/zinc/33/73/50/384337350.db2.gz GRAAOXUBCOHRGS-ZIAGYGMSSA-N 2 2 234.343 1.625 50 0 BDAALP CC[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000075772308 384337356 /nfs/dbraw/zinc/33/73/56/384337356.db2.gz GRAAOXUBCOHRGS-ZIAGYGMSSA-N 2 2 234.343 1.625 50 0 BDAALP c1cn(Cc2cscn2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000096032254 384422599 /nfs/dbraw/zinc/42/25/99/384422599.db2.gz FMVLRUKPJYLFKK-SNVBAGLBSA-N 2 2 248.355 1.855 50 0 BDAALP Cc1c[nH]c(CN(C)C[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000097694604 384545184 /nfs/dbraw/zinc/54/51/84/384545184.db2.gz FMCCOKCNGBHMHQ-LBPRGKRZSA-N 2 2 236.363 1.492 50 0 BDAALP Cc1c[nH]c(CN(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000097694604 384545192 /nfs/dbraw/zinc/54/51/92/384545192.db2.gz FMCCOKCNGBHMHQ-LBPRGKRZSA-N 2 2 236.363 1.492 50 0 BDAALP C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000020072509 384571813 /nfs/dbraw/zinc/57/18/13/384571813.db2.gz MIFUGVARDDDKRU-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000020072509 384571818 /nfs/dbraw/zinc/57/18/18/384571818.db2.gz MIFUGVARDDDKRU-CYBMUJFWSA-N 2 2 204.317 1.870 50 0 BDAALP [NH3+]C[C@H](c1cccc(O)c1)[NH+]1CCCC1 ZINC000032021204 385123573 /nfs/dbraw/zinc/12/35/73/385123573.db2.gz NKWGAFYJJLFWOL-GFCCVEGCSA-N 2 2 206.289 1.488 50 0 BDAALP CCc1nc(NCc2ccc[nH+]c2N)cc(C)[nH+]1 ZINC000585088412 386655992 /nfs/dbraw/zinc/65/59/92/386655992.db2.gz WVQZCGKJKSNOSU-UHFFFAOYSA-N 2 2 243.314 1.359 50 0 BDAALP COc1c(C)cnc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000050249116 386736778 /nfs/dbraw/zinc/73/67/78/386736778.db2.gz RQSPWCBOFYBFSI-LBPRGKRZSA-N 2 2 249.358 1.488 50 0 BDAALP COc1c(C)cnc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000050249116 386736787 /nfs/dbraw/zinc/73/67/87/386736787.db2.gz RQSPWCBOFYBFSI-LBPRGKRZSA-N 2 2 249.358 1.488 50 0 BDAALP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccnc1 ZINC000334874505 386934087 /nfs/dbraw/zinc/93/40/87/386934087.db2.gz NWMIUWAAXASASQ-LLVKDONJSA-N 2 2 205.305 1.312 50 0 BDAALP CC(C)[NH2+][C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1 ZINC000223117705 167142833 /nfs/dbraw/zinc/14/28/33/167142833.db2.gz BTIVGCBELPLBOT-XJFOESAGSA-N 2 2 238.375 1.626 50 0 BDAALP C[N@@H+](Cc1cncs1)C[C@@H]1CC[NH+](C)C1 ZINC000121006320 173111876 /nfs/dbraw/zinc/11/18/76/173111876.db2.gz OFLNOLQYBKDGKM-SNVBAGLBSA-N 2 2 225.361 1.527 50 0 BDAALP C[N@H+](Cc1cncs1)C[C@@H]1CC[NH+](C)C1 ZINC000121006320 173111877 /nfs/dbraw/zinc/11/18/77/173111877.db2.gz OFLNOLQYBKDGKM-SNVBAGLBSA-N 2 2 225.361 1.527 50 0 BDAALP C[NH+](Cc1cncs1)C[C@@H]1CC[N@H+](C)C1 ZINC000121006320 173111880 /nfs/dbraw/zinc/11/18/80/173111880.db2.gz OFLNOLQYBKDGKM-SNVBAGLBSA-N 2 2 225.361 1.527 50 0 BDAALP C[NH+](Cc1cncs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000121006320 173111882 /nfs/dbraw/zinc/11/18/82/173111882.db2.gz OFLNOLQYBKDGKM-SNVBAGLBSA-N 2 2 225.361 1.527 50 0 BDAALP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068592961 176175253 /nfs/dbraw/zinc/17/52/53/176175253.db2.gz UMKXOVBYIBQJBM-YPMHNXCESA-N 2 2 204.317 1.856 50 0 BDAALP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068592961 176175254 /nfs/dbraw/zinc/17/52/54/176175254.db2.gz UMKXOVBYIBQJBM-YPMHNXCESA-N 2 2 204.317 1.856 50 0 BDAALP C[NH+](C)CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097104321 487832090 /nfs/dbraw/zinc/83/20/90/487832090.db2.gz LNAMYPWHSHLYTE-UHFFFAOYSA-N 2 2 244.298 1.577 50 0 BDAALP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000072202844 487994744 /nfs/dbraw/zinc/99/47/44/487994744.db2.gz WGTVFCUKBBYBDH-LLVKDONJSA-N 2 2 210.708 1.792 50 0 BDAALP C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000219858898 490580395 /nfs/dbraw/zinc/58/03/95/490580395.db2.gz IKRARZMUTGSISN-JOYOIKCWSA-N 2 2 239.388 1.881 50 0 BDAALP C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000219858898 490580391 /nfs/dbraw/zinc/58/03/91/490580391.db2.gz IKRARZMUTGSISN-JOYOIKCWSA-N 2 2 239.388 1.881 50 0 BDAALP CCNc1cc[nH+]c(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000248271090 520348200 /nfs/dbraw/zinc/34/82/00/520348200.db2.gz VSUUWGXKIDEHSI-NSHDSACASA-N 2 2 247.346 1.193 50 0 BDAALP CCNc1cc[nH+]c(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000248271090 520348215 /nfs/dbraw/zinc/34/82/15/520348215.db2.gz VSUUWGXKIDEHSI-NSHDSACASA-N 2 2 247.346 1.193 50 0 BDAALP CCCCN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244594129 520433573 /nfs/dbraw/zinc/43/35/73/520433573.db2.gz DGVKVPFWJKEAKM-AOOOYVTPSA-N 2 2 249.362 1.500 50 0 BDAALP CCCc1c[nH+]c(C)nc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065534939 535437438 /nfs/dbraw/zinc/43/74/38/535437438.db2.gz NTFUWWVWVGGZOS-BETUJISGSA-N 2 2 246.358 1.678 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@H](C)[C@H]1[NH3+] ZINC000757215162 582561101 /nfs/dbraw/zinc/56/11/01/582561101.db2.gz VCEHOPBFEHPPBR-FZZIBODNSA-N 2 2 244.342 1.869 50 0 BDAALP Cc1ccc2n[nH]cc2c1[C@H]1[NH2+]CCC[C@H]1[NH3+] ZINC000757213065 586439281 /nfs/dbraw/zinc/43/92/81/586439281.db2.gz NPBPLGPEEMOYOP-MFKMUULPSA-N 2 2 230.315 1.623 50 0 BDAALP