smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([C@H]2CCCN2c2cc(C)[nH+]cn2)no1 ZINC000072357280 178114310 /nfs/dbraw/zinc/11/43/10/178114310.db2.gz IEGKPJKJTQFECI-SNVBAGLBSA-N 1 2 245.286 1.818 40 0 BDABLO Cc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000006427510 398251688 /nfs/dbraw/zinc/25/16/88/398251688.db2.gz MFZKDTGNPGVFIH-UHFFFAOYSA-N 1 2 229.283 1.691 40 0 BDABLO Cc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000006427510 398251691 /nfs/dbraw/zinc/25/16/91/398251691.db2.gz MFZKDTGNPGVFIH-UHFFFAOYSA-N 1 2 229.283 1.691 40 0 BDABLO c1nn([C@H]2CCCCO2)c2nc[nH+]c(N3CC3)c12 ZINC000001676901 342708192 /nfs/dbraw/zinc/70/81/92/342708192.db2.gz WOWVNYFKIVFUJC-SNVBAGLBSA-N 1 2 245.286 1.345 40 0 in-vitro BDABLO Cc1[nH+]c(N2CCOCC2)ccc1C=O ZINC000072221157 259319322 /nfs/dbraw/zinc/31/93/22/259319322.db2.gz JFMNWJAPHDRFBK-UHFFFAOYSA-N 1 2 206.245 1.039 40 0 BDABLO C=Cc1c[nH+]c(N2CCOCC2)c(C)c1 ZINC000072222519 259320238 /nfs/dbraw/zinc/32/02/38/259320238.db2.gz SFXRQHZRPJCGHH-UHFFFAOYSA-N 1 2 204.273 1.870 40 0 BDABLO Cc1ccc(Nc2[nH+]c(N)nc(N)c2N)c(C)c1 ZINC000015884421 342902392 /nfs/dbraw/zinc/90/23/92/342902392.db2.gz AJNPPFODBBFGJV-UHFFFAOYSA-N 1 2 244.302 1.584 40 0 BDABLO Cc1ccc(Nc2nc(N)[nH+]c(N)c2N)c(C)c1 ZINC000015884421 342902393 /nfs/dbraw/zinc/90/23/93/342902393.db2.gz AJNPPFODBBFGJV-UHFFFAOYSA-N 1 2 244.302 1.584 40 0 BDABLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1 ZINC000015919758 342902958 /nfs/dbraw/zinc/90/29/58/342902958.db2.gz FOYXZVHDLXZETB-LBPRGKRZSA-N 1 2 245.282 1.195 40 0 BDABLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1 ZINC000015919758 342902959 /nfs/dbraw/zinc/90/29/59/342902959.db2.gz FOYXZVHDLXZETB-LBPRGKRZSA-N 1 2 245.282 1.195 40 0 BDABLO COCc1ccc(C(=O)NCc2[nH+]ccn2C)o1 ZINC000019291525 342945300 /nfs/dbraw/zinc/94/53/00/342945300.db2.gz LEAWGZUGACEZEW-UHFFFAOYSA-N 1 2 249.270 1.090 40 0 BDABLO CN1C(=O)c2ccccc2[C@]1([NH3+])c1ccccc1 ZINC000028471882 343129565 /nfs/dbraw/zinc/12/95/65/343129565.db2.gz UFKAZIHEPKPBQF-HNNXBMFYSA-N 1 2 238.290 1.932 40 0 BDABLO Nc1cccc(C2=N[C@@H]3C=C(N)C=CC3=[NH+]2)c1 ZINC000584906577 343716659 /nfs/dbraw/zinc/71/66/59/343716659.db2.gz DDPDGKJOGZMCAM-GFCCVEGCSA-N 1 2 224.267 1.251 40 0 BDABLO C=C=C(CC)[C@H](C(=O)OC)[NH+](CC)CC ZINC000073352451 187277307 /nfs/dbraw/zinc/27/73/07/187277307.db2.gz RMRHIPATFGYXCI-LLVKDONJSA-N 1 2 211.305 1.991 40 0 BDABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[NH2+]CC3 ZINC000100226868 191062396 /nfs/dbraw/zinc/06/23/96/191062396.db2.gz NOAYNDDCWFKGKK-UHFFFAOYSA-N 1 2 246.314 1.378 40 0 BDABLO Cc1nccc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257307791 180208636 /nfs/dbraw/zinc/20/86/36/180208636.db2.gz TUDUOXOMMSRQGF-CYBMUJFWSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1nccc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257307791 180208638 /nfs/dbraw/zinc/20/86/38/180208638.db2.gz TUDUOXOMMSRQGF-CYBMUJFWSA-N 1 2 243.314 1.845 40 0 BDABLO CC(=O)N1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC000257246996 188020553 /nfs/dbraw/zinc/02/05/53/188020553.db2.gz IWWVAVJLEIUTKZ-SNVBAGLBSA-N 1 2 207.277 1.146 40 0 BDABLO O=C(C[N@H+]1CCCC[C@@H]1CO)c1cccs1 ZINC000049136178 355916907 /nfs/dbraw/zinc/91/69/07/355916907.db2.gz SKJHHNJKCLCXKU-SNVBAGLBSA-N 1 2 239.340 1.778 40 0 BDABLO O=C(C[N@@H+]1CCCC[C@@H]1CO)c1cccs1 ZINC000049136178 355916910 /nfs/dbraw/zinc/91/69/10/355916910.db2.gz SKJHHNJKCLCXKU-SNVBAGLBSA-N 1 2 239.340 1.778 40 0 BDABLO O=C(C[N@H+]1CCCC[C@H]1CO)c1cccs1 ZINC000049136181 355917443 /nfs/dbraw/zinc/91/74/43/355917443.db2.gz SKJHHNJKCLCXKU-JTQLQIEISA-N 1 2 239.340 1.778 40 0 BDABLO O=C(C[N@@H+]1CCCC[C@H]1CO)c1cccs1 ZINC000049136181 355917448 /nfs/dbraw/zinc/91/74/48/355917448.db2.gz SKJHHNJKCLCXKU-JTQLQIEISA-N 1 2 239.340 1.778 40 0 BDABLO c1cnc(C[N@@H+]2CCC[C@H]2c2ccncn2)cn1 ZINC000257342012 183360178 /nfs/dbraw/zinc/36/01/78/183360178.db2.gz ZMSGLZUGYQWCLI-ZDUSSCGKSA-N 1 2 241.298 1.604 40 0 BDABLO c1cnc(C[N@H+]2CCC[C@H]2c2ccncn2)cn1 ZINC000257342012 183360181 /nfs/dbraw/zinc/36/01/81/183360181.db2.gz ZMSGLZUGYQWCLI-ZDUSSCGKSA-N 1 2 241.298 1.604 40 0 BDABLO COc1ccc(Nc2cc[nH+]c(N)n2)cc1 ZINC000001605704 383911405 /nfs/dbraw/zinc/91/14/05/383911405.db2.gz QZDFKMSKLPAVCS-UHFFFAOYSA-N 1 2 216.244 1.811 40 0 BDABLO Cc1c[nH]nc1[C@H]1CCCN1Cc1[nH]cc[nH+]1 ZINC000072357398 384214511 /nfs/dbraw/zinc/21/45/11/384214511.db2.gz WSXSXWRLZYSHBY-SNVBAGLBSA-N 1 2 231.303 1.778 40 0 BDABLO Cn1cc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000072381902 384217113 /nfs/dbraw/zinc/21/71/13/384217113.db2.gz MGEZGWQDGGZXPE-LLVKDONJSA-N 1 2 231.303 1.133 40 0 BDABLO Cn1cc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000072381902 384217117 /nfs/dbraw/zinc/21/71/17/384217117.db2.gz MGEZGWQDGGZXPE-LLVKDONJSA-N 1 2 231.303 1.133 40 0 BDABLO CNc1cccc([C@H]2CCCN(C(C)=O)C2)[nH+]1 ZINC000072381441 384217487 /nfs/dbraw/zinc/21/74/87/384217487.db2.gz UKOKTFNQCOEQDO-NSHDSACASA-N 1 2 233.315 1.849 40 0 BDABLO COc1cc(N)cnc1-n1c[nH+]c(C)c1 ZINC000096032008 384421300 /nfs/dbraw/zinc/42/13/00/384421300.db2.gz XVDSZUAQDMNWFR-UHFFFAOYSA-N 1 2 204.233 1.167 40 0 BDABLO [NH3+][C@H](C(=O)[O-])[C@H](Cc1ccccc1)c1c[nH+]c[nH]1 ZINC000026892252 384884101 /nfs/dbraw/zinc/88/41/01/384884101.db2.gz UDRASQJARDGTGR-PWSUYJOCSA-N 1 2 245.282 1.148 40 0 BDABLO O=CN1CCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213705 385083752 /nfs/dbraw/zinc/08/37/52/385083752.db2.gz FLIITMANKWXRRG-LBPRGKRZSA-N 1 2 231.299 1.949 40 0 BDABLO CNc1[nH+]cccc1[C@H]1CCCN1C(C)=O ZINC000072212529 385076170 /nfs/dbraw/zinc/07/61/70/385076170.db2.gz TWVTXIYPAFBYND-LLVKDONJSA-N 1 2 219.288 1.807 40 0 BDABLO CC(=O)N1CCC[C@H]1c1ccc(N)[nH+]c1 ZINC000072212356 385076390 /nfs/dbraw/zinc/07/63/90/385076390.db2.gz XWBVRZVOIZYJJV-JTQLQIEISA-N 1 2 205.261 1.347 40 0 BDABLO CNc1cc([C@H]2CCN(C(C)=O)C2)[nH+]c(C)n1 ZINC000072187571 385043672 /nfs/dbraw/zinc/04/36/72/385043672.db2.gz HEHMYWKLHNXYLY-JTQLQIEISA-N 1 2 234.303 1.163 40 0 BDABLO CNc1cc([C@H]2CCCN(C(C)=O)C2)[nH+]c(C)n1 ZINC000072187788 385045872 /nfs/dbraw/zinc/04/58/72/385045872.db2.gz QWESQGFDGCBCFZ-NSHDSACASA-N 1 2 248.330 1.553 40 0 BDABLO COCCn1cc(CNc2cccc[nH+]2)cn1 ZINC000072226476 385124571 /nfs/dbraw/zinc/12/45/71/385124571.db2.gz BOFLPATWXOSXIJ-UHFFFAOYSA-N 1 2 232.287 1.537 40 0 BDABLO C[C@H]1[C@](c2ccccc2)([NH+](C)C)CS1(=O)=O ZINC000031760210 385103947 /nfs/dbraw/zinc/10/39/47/385103947.db2.gz DAHLIVHEFCNDLW-CMPLNLGQSA-N 1 2 239.340 1.260 40 0 BDABLO Cn1cc(C(=O)NC[NH+](C)C)c2ccccc21 ZINC000002750066 386404103 /nfs/dbraw/zinc/40/41/03/386404103.db2.gz DUPLKYZTHWEOCF-UHFFFAOYSA-N 1 2 231.299 1.427 40 0 BDABLO CC(C)(C)OC(=O)NC1CN(c2cccc[nH+]2)C1 ZINC000079387657 387854593 /nfs/dbraw/zinc/85/45/93/387854593.db2.gz DJXNRCWSAHCRKC-UHFFFAOYSA-N 1 2 249.314 1.795 40 0 BDABLO Cc1nc(N2CCC[C@@H](C(=O)N(C)C)C2)cc[nH+]1 ZINC000072357434 132396333 /nfs/dbraw/zinc/39/63/33/132396333.db2.gz YRKQRTWSZZXLMD-LLVKDONJSA-N 1 2 248.330 1.090 40 0 BDABLO CC[N@@H+]1CCO[C@@H](c2nn(C)c3ncccc23)C1 ZINC000072383170 170004505 /nfs/dbraw/zinc/00/45/05/170004505.db2.gz ITWDXZUQXXPQCM-LLVKDONJSA-N 1 2 246.314 1.362 40 0 BDABLO CC[N@H+]1CCO[C@@H](c2nn(C)c3ncccc23)C1 ZINC000072383170 170004507 /nfs/dbraw/zinc/00/45/07/170004507.db2.gz ITWDXZUQXXPQCM-LLVKDONJSA-N 1 2 246.314 1.362 40 0 BDABLO CCOC(=O)[C@H]([NH3+])c1cc(C)c(O)c(C)c1 ZINC000033715623 170276238 /nfs/dbraw/zinc/27/62/38/170276238.db2.gz XRGBCMWQAQGUQN-SNVBAGLBSA-N 1 2 223.272 1.572 40 0 BDABLO Cc1nc(N)c2c([nH+]1)C[C@@H](c1ccco1)CC2=O ZINC000408712666 411968590 /nfs/dbraw/zinc/96/85/90/411968590.db2.gz GAXKZRCUEVUDDD-MRVPVSSYSA-N 1 2 243.266 1.873 40 0 BDABLO COc1ccccc1C[NH+]1CCC(=O)CC1 ZINC000019519690 175325796 /nfs/dbraw/zinc/32/57/96/175325796.db2.gz LHQSKCWOHDSSLH-UHFFFAOYSA-N 1 2 219.284 1.860 40 0 BDABLO COc1ccccc1[C@H]([NH3+])c1ncccn1 ZINC000037467258 175353231 /nfs/dbraw/zinc/35/32/31/175353231.db2.gz ZRKPSWIOQDORCY-NSHDSACASA-N 1 2 215.256 1.533 40 0 BDABLO C[C@H]1CN2C[C@@H](c3ccccn3)[NH+]=C2S1 ZINC000222555607 177280814 /nfs/dbraw/zinc/28/08/14/177280814.db2.gz COZOJRKRZATEGP-WPRPVWTQSA-N 1 2 219.313 1.930 40 0 BDABLO CN(C)c1nc(N)c2c(Cl)cccc2[nH+]1 ZINC000004244992 342745314 /nfs/dbraw/zinc/74/53/14/342745314.db2.gz ZUDASDOHOYYFRW-UHFFFAOYSA-N 1 2 222.679 1.931 40 0 BDABLO C[NH+](C)[C@@]12CS(=O)(=O)[C@@H]1CCCCC2 ZINC000005573247 342766317 /nfs/dbraw/zinc/76/63/17/342766317.db2.gz ZUVUSIRWYKLPBE-ZJUUUORDSA-N 1 2 217.334 1.048 40 0 BDABLO Cc1cc(CO)c[nH+]c1N1CCCCC1 ZINC000072221131 259319560 /nfs/dbraw/zinc/31/95/60/259319560.db2.gz OJLYCMBVNIFFSL-UHFFFAOYSA-N 1 2 206.289 1.873 40 0 BDABLO O=C(C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000006744989 342781826 /nfs/dbraw/zinc/78/18/26/342781826.db2.gz FOFJCYGLFZYISH-UHFFFAOYSA-N 1 2 233.267 1.694 40 0 BDABLO COC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000035655763 342804561 /nfs/dbraw/zinc/80/45/61/342804561.db2.gz MEEXDXMBRIFSPR-MXWKQRLJSA-N 1 2 229.320 1.293 40 0 BDABLO COc1c(C)c[nH+]c(COC(C)=O)c1C ZINC000012958705 342862126 /nfs/dbraw/zinc/86/21/26/342862126.db2.gz OKIMSBLHXKXTTE-UHFFFAOYSA-N 1 2 209.245 1.770 40 0 BDABLO Cc1ccc([C@]23CCC(=O)N2CCC[NH2+]3)cc1 ZINC000019947322 342964340 /nfs/dbraw/zinc/96/43/40/342964340.db2.gz DPSRYRXQCPOXJJ-AWEZNQCLSA-N 1 2 230.311 1.764 40 0 BDABLO O=C1CC[N@@H+]2Cc3cc4c(cc3C[C@H]2C1)OCO4 ZINC000024717624 343075997 /nfs/dbraw/zinc/07/59/97/343075997.db2.gz VFQITYZWHSOFHY-NSHDSACASA-N 1 2 245.278 1.505 40 0 BDABLO O=C1CC[N@H+]2Cc3cc4c(cc3C[C@H]2C1)OCO4 ZINC000024717624 343076000 /nfs/dbraw/zinc/07/60/00/343076000.db2.gz VFQITYZWHSOFHY-NSHDSACASA-N 1 2 245.278 1.505 40 0 BDABLO CNc1[nH+]cnc2c1cnn2[C@H]1CCCCO1 ZINC000001678771 187245243 /nfs/dbraw/zinc/24/52/43/187245243.db2.gz XGECSNNACZFIHK-SECBINFHSA-N 1 2 233.275 1.567 40 0 BDABLO C[C@@H]1[C@](c2ccccc2)([NH+](C)C)CS1(=O)=O ZINC000031760206 343223923 /nfs/dbraw/zinc/22/39/23/343223923.db2.gz DAHLIVHEFCNDLW-ZYHUDNBSSA-N 1 2 239.340 1.260 40 0 BDABLO Cc1[nH+]cc([C@@](C)(O)c2ccccc2)n1C ZINC000013281763 180174705 /nfs/dbraw/zinc/17/47/05/180174705.db2.gz WIDOCNQZJWHXAL-ZDUSSCGKSA-N 1 2 216.284 1.984 40 0 BDABLO c1cc([C@H]2C[N@H+](Cc3ccncc3)CCO2)n[nH]1 ZINC000072381583 183344717 /nfs/dbraw/zinc/34/47/17/183344717.db2.gz ZEECJQKJHYDFFX-CYBMUJFWSA-N 1 2 244.298 1.378 40 0 BDABLO c1cc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)n[nH]1 ZINC000072381583 183344718 /nfs/dbraw/zinc/34/47/18/183344718.db2.gz ZEECJQKJHYDFFX-CYBMUJFWSA-N 1 2 244.298 1.378 40 0 BDABLO c1cc(C[N@@H+]2CCC[C@@H]2c2ccncn2)n[nH]1 ZINC000257289326 183364351 /nfs/dbraw/zinc/36/43/51/183364351.db2.gz PYDMAVRTSVRHCE-GFCCVEGCSA-N 1 2 229.287 1.537 40 0 BDABLO c1cc(C[N@H+]2CCC[C@@H]2c2ccncn2)n[nH]1 ZINC000257289326 183364353 /nfs/dbraw/zinc/36/43/53/183364353.db2.gz PYDMAVRTSVRHCE-GFCCVEGCSA-N 1 2 229.287 1.537 40 0 BDABLO [NH3+]C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622863 383866593 /nfs/dbraw/zinc/86/65/93/383866593.db2.gz NHLXFMCTHFWEAP-NWDGAFQWSA-N 1 2 234.299 1.093 40 0 BDABLO [NH3+]C[C@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622863 383866595 /nfs/dbraw/zinc/86/65/95/383866595.db2.gz NHLXFMCTHFWEAP-NWDGAFQWSA-N 1 2 234.299 1.093 40 0 BDABLO COc1ccccc1[C@H](CO)[NH+]1CCOCC1 ZINC000070453114 384097920 /nfs/dbraw/zinc/09/79/20/384097920.db2.gz ABHOCSFUKQYRNZ-LBPRGKRZSA-N 1 2 237.299 1.061 40 0 BDABLO Cc1cc(=O)cc([C@@H]2C[N@H+](C(C)C)CCO2)[nH]1 ZINC000072356980 384210232 /nfs/dbraw/zinc/21/02/32/384210232.db2.gz BVRFAIHUNVDXBR-ZDUSSCGKSA-N 1 2 236.315 1.465 40 0 BDABLO Cc1cc(=O)cc([C@@H]2C[N@@H+](C(C)C)CCO2)[nH]1 ZINC000072356980 384210235 /nfs/dbraw/zinc/21/02/35/384210235.db2.gz BVRFAIHUNVDXBR-ZDUSSCGKSA-N 1 2 236.315 1.465 40 0 BDABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1ccncn1 ZINC000072357324 384213226 /nfs/dbraw/zinc/21/32/26/384213226.db2.gz DEOKCSOYCYIXEP-LBPRGKRZSA-N 1 2 243.314 1.547 40 0 BDABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1ccncn1 ZINC000072357324 384213234 /nfs/dbraw/zinc/21/32/34/384213234.db2.gz DEOKCSOYCYIXEP-LBPRGKRZSA-N 1 2 243.314 1.547 40 0 BDABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1ccncn1 ZINC000072357324 384213238 /nfs/dbraw/zinc/21/32/38/384213238.db2.gz DEOKCSOYCYIXEP-LBPRGKRZSA-N 1 2 243.314 1.547 40 0 BDABLO Cn1cc[nH+]c1C[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000072383315 384219627 /nfs/dbraw/zinc/21/96/27/384219627.db2.gz DTSDKGMRJLOPNM-LLVKDONJSA-N 1 2 249.358 1.857 40 0 BDABLO Nc1[nH+]cnc2c1cnn2[C@@H]1CCCCO1 ZINC000002045431 384503877 /nfs/dbraw/zinc/50/38/77/384503877.db2.gz PUSIJCPBROTHKO-QMMMGPOBSA-N 1 2 219.248 1.108 40 0 BDABLO CC(=O)N1CCC[C@@H]1c1ccc(N(C)C)[nH+]c1 ZINC000072212589 385074616 /nfs/dbraw/zinc/07/46/16/385074616.db2.gz DWYRYAFGZSIYTQ-GFCCVEGCSA-N 1 2 233.315 1.831 40 0 BDABLO CN(C)c1ccc([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072212583 385077038 /nfs/dbraw/zinc/07/70/38/385077038.db2.gz OFSFTDDDEPTZQK-NSHDSACASA-N 1 2 219.288 1.441 40 0 BDABLO CC(C)[C@@H]([NH3+])c1nc(-c2cccc(O)c2)n[nH]1 ZINC000095534721 385046744 /nfs/dbraw/zinc/04/67/44/385046744.db2.gz VRURVAHYTDLBFK-SNVBAGLBSA-N 1 2 232.287 1.833 40 0 BDABLO CCC(=O)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072225523 385113278 /nfs/dbraw/zinc/11/32/78/385113278.db2.gz YBEVCPXJTVZVDI-UHFFFAOYSA-N 1 2 233.315 1.426 40 0 BDABLO O=CN1CCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215970 385094060 /nfs/dbraw/zinc/09/40/60/385094060.db2.gz VCXVYGCFGDPJBU-CYBMUJFWSA-N 1 2 245.326 1.975 40 0 BDABLO C[C@H]1CN(c2ccc([NH3+])cc2N)C[C@H](C)O1 ZINC000216765848 132250853 /nfs/dbraw/zinc/25/08/53/132250853.db2.gz GCXPOMYDAJJSAB-IUCAKERBSA-N 1 2 221.304 1.465 40 0 BDABLO Cc1nc(N2CCC[C@H](C(=O)N(C)C)C2)cc[nH+]1 ZINC000072357433 132396340 /nfs/dbraw/zinc/39/63/40/132396340.db2.gz YRKQRTWSZZXLMD-NSHDSACASA-N 1 2 248.330 1.090 40 0 BDABLO C[N@@H+]1CCC[C@@]2(C)[C@H]1CCC[NH+]2CC(=O)[O-] ZINC000257336741 173039366 /nfs/dbraw/zinc/03/93/66/173039366.db2.gz YPURQXWUAIETHZ-PWSUYJOCSA-N 1 2 226.320 1.020 40 0 BDABLO C[N@H+]1CCC[C@@]2(C)[C@H]1CCC[NH+]2CC(=O)[O-] ZINC000257336741 173039369 /nfs/dbraw/zinc/03/93/69/173039369.db2.gz YPURQXWUAIETHZ-PWSUYJOCSA-N 1 2 226.320 1.020 40 0 BDABLO C[NH+]1CCC[C@@]2(C)[C@H]1CCC[N@@H+]2CC(=O)[O-] ZINC000257336741 173039371 /nfs/dbraw/zinc/03/93/71/173039371.db2.gz YPURQXWUAIETHZ-PWSUYJOCSA-N 1 2 226.320 1.020 40 0 BDABLO C[NH+]1CCC[C@@]2(C)[C@H]1CCC[N@H+]2CC(=O)[O-] ZINC000257336741 173039374 /nfs/dbraw/zinc/03/93/74/173039374.db2.gz YPURQXWUAIETHZ-PWSUYJOCSA-N 1 2 226.320 1.020 40 0 BDABLO CCn1ccc(C[NH2+]Cc2cn(C)nc2C)n1 ZINC000020349821 523493483 /nfs/dbraw/zinc/49/34/83/523493483.db2.gz CRGUYMVWIREESJ-UHFFFAOYSA-N 1 2 233.319 1.235 40 0 BDABLO Cc1cc(N2CCC[C@H]2c2cnccn2)nc[nH+]1 ZINC000072381861 178115636 /nfs/dbraw/zinc/11/56/36/178115636.db2.gz PQAKEEXABYTENK-LBPRGKRZSA-N 1 2 241.298 1.917 40 0 BDABLO Cc1cc(NCCO)nc(-c2cccnc2)[nH+]1 ZINC000225325690 178161024 /nfs/dbraw/zinc/16/10/24/178161024.db2.gz UXAMPFRVJOIXRU-UHFFFAOYSA-N 1 2 230.271 1.251 40 0 BDABLO Cc1cc(NCCO)nc(-c2cccc(F)c2)[nH+]1 ZINC000225325785 178162200 /nfs/dbraw/zinc/16/22/00/178162200.db2.gz YKNAXQHZDSOHQX-UHFFFAOYSA-N 1 2 247.273 1.995 40 0 BDABLO Cc1cc([C@@H](CCO)C[C@H](C)O)cc[nH+]1 ZINC000008701051 178234931 /nfs/dbraw/zinc/23/49/31/178234931.db2.gz LIFCAEGXHCVVOE-JQWIXIFHSA-N 1 2 209.289 1.627 40 0 BDABLO COC(=O)c1ccc(-n2c[nH+]c(C)c2)cc1 ZINC000066347166 398259806 /nfs/dbraw/zinc/25/98/06/398259806.db2.gz PJROXVOPRSDRGX-UHFFFAOYSA-N 1 2 216.240 1.967 40 0 BDABLO C[NH+](C)[C@]12CS(=O)(=O)[C@@H]1CCCCCC2 ZINC000001869769 342713299 /nfs/dbraw/zinc/71/32/99/342713299.db2.gz MFTJTAYYWXUIPR-GHMZBOCLSA-N 1 2 231.361 1.438 40 0 BDABLO C[NH+](C)[C@@]12CS(=O)(=O)[C@H]1CCCCCC2 ZINC000001869770 342713343 /nfs/dbraw/zinc/71/33/43/342713343.db2.gz MFTJTAYYWXUIPR-QWRGUYRKSA-N 1 2 231.361 1.438 40 0 BDABLO C(c1nnnn1C1CCCCC1)[NH+]1CCCC1 ZINC000004190381 342743744 /nfs/dbraw/zinc/74/37/44/342743744.db2.gz UXQCDRUAZJAHIT-UHFFFAOYSA-N 1 2 235.335 1.774 40 0 BDABLO Nc1nc(N)[nH+]c(Cc2ccc(Cl)cc2)n1 ZINC000005895115 342771139 /nfs/dbraw/zinc/77/11/39/342771139.db2.gz LHFKGLFUORNWMI-UHFFFAOYSA-N 1 2 235.678 1.280 40 0 BDABLO CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1 ZINC000217465026 187226933 /nfs/dbraw/zinc/22/69/33/187226933.db2.gz JXDZNIHQFMSPPN-ZDUSSCGKSA-N 1 2 248.326 1.024 40 0 BDABLO CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1 ZINC000217465026 187226931 /nfs/dbraw/zinc/22/69/31/187226931.db2.gz JXDZNIHQFMSPPN-ZDUSSCGKSA-N 1 2 248.326 1.024 40 0 BDABLO CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038832110 187255369 /nfs/dbraw/zinc/25/53/69/187255369.db2.gz QEDBYSWECGJBMP-UHFFFAOYSA-N 1 2 215.256 1.291 40 0 BDABLO Sc1ccccc1C[NH+]1CCOCC1 ZINC000045206634 187269490 /nfs/dbraw/zinc/26/94/90/187269490.db2.gz MGQVKAJHYJPOQE-UHFFFAOYSA-N 1 2 209.314 1.808 40 0 BDABLO Cc1cccc(Nc2[nH+]c(N)nc(N)c2N)c1 ZINC000015884425 179159589 /nfs/dbraw/zinc/15/95/89/179159589.db2.gz RJRQAMCBMCHQAN-UHFFFAOYSA-N 1 2 230.275 1.275 40 0 BDABLO Cc1cccc(Nc2nc(N)[nH+]c(N)c2N)c1 ZINC000015884425 179159591 /nfs/dbraw/zinc/15/95/91/179159591.db2.gz RJRQAMCBMCHQAN-UHFFFAOYSA-N 1 2 230.275 1.275 40 0 BDABLO CCc1cc2c(nc(C)[nH+]c2NN)s1 ZINC000031863445 346795013 /nfs/dbraw/zinc/79/50/13/346795013.db2.gz HZRBULBHJTWAND-UHFFFAOYSA-N 1 2 208.290 1.848 40 0 BDABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2C)cc1 ZINC000205703627 348579090 /nfs/dbraw/zinc/57/90/90/348579090.db2.gz MEACSYAMQNMVFY-CQSZACIVSA-N 1 2 248.326 1.530 40 0 BDABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2C)cc1 ZINC000205703627 348579093 /nfs/dbraw/zinc/57/90/93/348579093.db2.gz MEACSYAMQNMVFY-CQSZACIVSA-N 1 2 248.326 1.530 40 0 BDABLO CCC[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000022538744 350113509 /nfs/dbraw/zinc/11/35/09/350113509.db2.gz LKSZPKHNCRYZMP-UWVGGRQHSA-N 1 2 215.293 1.097 40 0 BDABLO Cc1nc2cc([C@H]3CCC[NH2+]C3)[nH]n2c(=O)c1C ZINC000100227199 180087069 /nfs/dbraw/zinc/08/70/69/180087069.db2.gz KOWUAYFLIGESIZ-JTQLQIEISA-N 1 2 246.314 1.519 40 0 BDABLO Cc1c[nH]nc1[C@@H]1COCCN1Cc1[nH]cc[nH+]1 ZINC000257224653 188020338 /nfs/dbraw/zinc/02/03/38/188020338.db2.gz FCTBZOWTMDYYRC-JTQLQIEISA-N 1 2 247.302 1.015 40 0 BDABLO Cc1c[nH]nc1[C@@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000257298379 188020363 /nfs/dbraw/zinc/02/03/63/188020363.db2.gz RLKBEXXUVVIRHG-NSHDSACASA-N 1 2 247.302 1.015 40 0 BDABLO Cc1c[nH]nc1[C@@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000257298379 188020364 /nfs/dbraw/zinc/02/03/64/188020364.db2.gz RLKBEXXUVVIRHG-NSHDSACASA-N 1 2 247.302 1.015 40 0 BDABLO c1ncc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)[nH]1 ZINC000205678819 368357263 /nfs/dbraw/zinc/35/72/63/368357263.db2.gz VPZQEDYAPSVADA-NSHDSACASA-N 1 2 243.314 1.579 40 0 BDABLO c1ncc(C[N@H+]2CCC[C@H](c3cnccn3)C2)[nH]1 ZINC000205678819 368357266 /nfs/dbraw/zinc/35/72/66/368357266.db2.gz VPZQEDYAPSVADA-NSHDSACASA-N 1 2 243.314 1.579 40 0 BDABLO Cc1noc(C2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000072357393 384213847 /nfs/dbraw/zinc/21/38/47/384213847.db2.gz AOJVOPXEYGFQTH-UHFFFAOYSA-N 1 2 247.302 1.481 40 0 BDABLO Cc1noc(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000072357393 384213856 /nfs/dbraw/zinc/21/38/56/384213856.db2.gz AOJVOPXEYGFQTH-UHFFFAOYSA-N 1 2 247.302 1.481 40 0 BDABLO Cn1cc[nH+]c1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000072381906 384216506 /nfs/dbraw/zinc/21/65/06/384216506.db2.gz KOMLXGVVXQQJDL-LBPRGKRZSA-N 1 2 245.330 1.870 40 0 BDABLO COC(=O)C1=C(O)CC[N@H+](Cc2ccccc2)C1 ZINC000100132616 384619927 /nfs/dbraw/zinc/61/99/27/384619927.db2.gz NIOZGZNXEHVZNI-UHFFFAOYSA-N 1 2 247.294 1.877 40 0 BDABLO COC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000100132616 384619934 /nfs/dbraw/zinc/61/99/34/384619934.db2.gz NIOZGZNXEHVZNI-UHFFFAOYSA-N 1 2 247.294 1.877 40 0 BDABLO COC(=O)C1C[N@H+](Cc2ccccc2)CCC1=O ZINC000100132616 384619940 /nfs/dbraw/zinc/61/99/40/384619940.db2.gz NIOZGZNXEHVZNI-UHFFFAOYSA-N 1 2 247.294 1.877 40 0 BDABLO COC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000100132616 384619945 /nfs/dbraw/zinc/61/99/45/384619945.db2.gz NIOZGZNXEHVZNI-UHFFFAOYSA-N 1 2 247.294 1.877 40 0 BDABLO CNc1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072212508 385074138 /nfs/dbraw/zinc/07/41/38/385074138.db2.gz HMQNKENMCPIOII-NSHDSACASA-N 1 2 219.288 1.807 40 0 BDABLO c1cc([C@@H]2CC[N@@H+](Cc3cncnc3)C2)[nH]n1 ZINC000257335315 385764330 /nfs/dbraw/zinc/76/43/30/385764330.db2.gz YJQHYZPTYGZSCU-LLVKDONJSA-N 1 2 229.287 1.189 40 0 BDABLO c1cc([C@@H]2CC[N@H+](Cc3cncnc3)C2)[nH]n1 ZINC000257335315 385764334 /nfs/dbraw/zinc/76/43/34/385764334.db2.gz YJQHYZPTYGZSCU-LLVKDONJSA-N 1 2 229.287 1.189 40 0 BDABLO Cc1noc(C[NH2+]Cc2ccccc2)n1 ZINC000037980764 386107761 /nfs/dbraw/zinc/10/77/61/386107761.db2.gz MZSRXWDEMNXWEL-UHFFFAOYSA-N 1 2 203.245 1.668 40 0 BDABLO Cc1ccc(C)n1Cc1ccc2c(c1)=[NH+]CC=2 ZINC000521395894 386719250 /nfs/dbraw/zinc/71/92/50/386719250.db2.gz PUBRLYHMONSOBK-UHFFFAOYSA-N 1 2 224.307 1.567 40 0 BDABLO Cc1ccc([C@@H](C[NH3+])[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248141639 387137096 /nfs/dbraw/zinc/13/70/96/387137096.db2.gz FSKYQMYLIYKANW-CHWSQXEVSA-N 1 2 248.326 1.401 40 0 BDABLO Cc1ccc([C@@H](C[NH3+])[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248141639 387137099 /nfs/dbraw/zinc/13/70/99/387137099.db2.gz FSKYQMYLIYKANW-CHWSQXEVSA-N 1 2 248.326 1.401 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2c(C)cnn2C)n1 ZINC000256050106 387859012 /nfs/dbraw/zinc/85/90/12/387859012.db2.gz CRSDXUCWXWEBLC-UHFFFAOYSA-N 1 2 247.346 1.625 40 0 BDABLO [NH3+][C@@H](c1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000095533461 388777840 /nfs/dbraw/zinc/77/78/40/388777840.db2.gz VZYLEESQEWWUKU-WDEREUQCSA-N 1 2 244.298 1.704 40 0 BDABLO CNC(=O)CC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000072348350 132396038 /nfs/dbraw/zinc/39/60/38/132396038.db2.gz QXKIYGAACPWMQF-UHFFFAOYSA-N 1 2 248.330 1.138 40 0 BDABLO Cc1cc(N2CCC[C@@H](C(=O)N(C)C)C2)nc[nH+]1 ZINC000072369034 132396942 /nfs/dbraw/zinc/39/69/42/132396942.db2.gz USWFZGJQXKPWAD-LLVKDONJSA-N 1 2 248.330 1.090 40 0 BDABLO CCC[NH+]1C=CC(=C2N=c3ccccc3=N2)C=C1 ZINC000409416127 411198483 /nfs/dbraw/zinc/19/84/83/411198483.db2.gz ZRRYAERGCPZFCT-UHFFFAOYSA-N 1 2 237.306 1.904 40 0 BDABLO CCOC(=[NH2+])c1cccc(C(=O)OC)c1 ZINC000113420826 170180025 /nfs/dbraw/zinc/18/00/25/170180025.db2.gz PJIXODKQPRBKRA-UHFFFAOYSA-N 1 2 207.229 1.835 40 0 BDABLO CCOC(=O)Cc1ccc2c([nH+]1)NCCC2 ZINC000071260694 170236413 /nfs/dbraw/zinc/23/64/13/170236413.db2.gz XAGQBVVLZDCQOH-UHFFFAOYSA-N 1 2 220.272 1.545 40 0 BDABLO CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123224 171241874 /nfs/dbraw/zinc/24/18/74/171241874.db2.gz KKMJLMSDDAULKG-KXUCPTDWSA-N 1 2 215.293 1.047 40 0 BDABLO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123224 171241876 /nfs/dbraw/zinc/24/18/76/171241876.db2.gz KKMJLMSDDAULKG-KXUCPTDWSA-N 1 2 215.293 1.047 40 0 BDABLO C[N@@H+]1CCCC[C@@H]1c1ncc(C(N)=O)s1 ZINC000257337729 173008099 /nfs/dbraw/zinc/00/80/99/173008099.db2.gz YUDDLUKLHPTLDR-SSDOTTSWSA-N 1 2 225.317 1.399 40 0 BDABLO C[N@H+]1CCCC[C@@H]1c1ncc(C(N)=O)s1 ZINC000257337729 173008100 /nfs/dbraw/zinc/00/81/00/173008100.db2.gz YUDDLUKLHPTLDR-SSDOTTSWSA-N 1 2 225.317 1.399 40 0 BDABLO CCOC(=O)[C@H]1CC[N@@H+]1CCc1ccccc1 ZINC000062710205 323091169 /nfs/dbraw/zinc/09/11/69/323091169.db2.gz GDRGIKSJUYPJBA-CYBMUJFWSA-N 1 2 233.311 1.867 40 0 BDABLO CCOC(=O)[C@H]1CC[N@H+]1CCc1ccccc1 ZINC000062710205 323091170 /nfs/dbraw/zinc/09/11/70/323091170.db2.gz GDRGIKSJUYPJBA-CYBMUJFWSA-N 1 2 233.311 1.867 40 0 BDABLO O[C@]1(C(F)(F)F)CNc2[nH+]cccc21 ZINC000034883590 582523158 /nfs/dbraw/zinc/52/31/58/582523158.db2.gz IGFWDSXFKZETQZ-SSDOTTSWSA-N 1 2 204.151 1.257 40 0 BDABLO Cc1c[nH]nc1[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000072381863 178118107 /nfs/dbraw/zinc/11/81/07/178118107.db2.gz SLOKPYSBEJYHJA-LLVKDONJSA-N 1 2 243.314 1.810 40 0 BDABLO Cc1cc(NCCO)nc(-c2ccc(F)cc2)[nH+]1 ZINC000224222782 178162023 /nfs/dbraw/zinc/16/20/23/178162023.db2.gz IKDDEVFFLPSRDD-UHFFFAOYSA-N 1 2 247.273 1.995 40 0 BDABLO CN(C)c1[nH+]cnc2c1cnn2[C@@H]1CCCCO1 ZINC000002045427 342715334 /nfs/dbraw/zinc/71/53/34/342715334.db2.gz MQVPOHUDBZNLDB-JTQLQIEISA-N 1 2 247.302 1.591 40 0 BDABLO Cc1ccc(C2=[NH+]CCCCN2)c(O)c1 ZINC000005542537 342765575 /nfs/dbraw/zinc/76/55/75/342765575.db2.gz FRDSESGOEOFOAL-UHFFFAOYSA-N 1 2 204.273 1.831 40 0 BDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](O)C1 ZINC000043220322 342790904 /nfs/dbraw/zinc/79/09/04/342790904.db2.gz SPLVJDRDMWPEFR-SNVBAGLBSA-N 1 2 231.299 1.534 40 0 BDABLO C[C@@H](C1CC1)n1[nH]c2c(c1=O)CC[NH2+]C2 ZINC000110751846 398300745 /nfs/dbraw/zinc/30/07/45/398300745.db2.gz UQGHYBLHVUFZRP-ZETCQYMHSA-N 1 2 207.277 1.205 40 0 BDABLO CC(C)(C)C(=O)OC/C=C/C[NH+]1CCOCC1 ZINC000031947087 343226593 /nfs/dbraw/zinc/22/65/93/343226593.db2.gz SQOZQOOQRSZVRT-SNAWJCMRSA-N 1 2 241.331 1.464 40 0 BDABLO CC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068575869 187274943 /nfs/dbraw/zinc/27/49/43/187274943.db2.gz HYFNBIVNYJGFJD-CYBMUJFWSA-N 1 2 219.284 1.476 40 0 BDABLO CC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068575869 187274945 /nfs/dbraw/zinc/27/49/45/187274945.db2.gz HYFNBIVNYJGFJD-CYBMUJFWSA-N 1 2 219.284 1.476 40 0 BDABLO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000072383360 187276686 /nfs/dbraw/zinc/27/66/86/187276686.db2.gz SEFPCQQQNSYGLB-LLVKDONJSA-N 1 2 245.330 1.441 40 0 BDABLO CC(C)[C@H]([NH3+])c1nnc([C@@H]2CCCO2)[nH]1 ZINC000095534778 187288001 /nfs/dbraw/zinc/28/80/01/187288001.db2.gz FBOLPPDWEIHMRR-YUMQZZPRSA-N 1 2 210.281 1.312 40 0 BDABLO OC[C@H]1CCn2cncc2C[N@@H+]1Cc1ccco1 ZINC000585096879 344131388 /nfs/dbraw/zinc/13/13/88/344131388.db2.gz DYYJUSJTSJWXGT-LLVKDONJSA-N 1 2 247.298 1.243 40 0 BDABLO OC[C@H]1CCn2cncc2C[N@H+]1Cc1ccco1 ZINC000585096879 344131390 /nfs/dbraw/zinc/13/13/90/344131390.db2.gz DYYJUSJTSJWXGT-LLVKDONJSA-N 1 2 247.298 1.243 40 0 BDABLO CC(=O)N[C@H]([NH2+]C(C)C)C(=O)c1ccccc1 ZINC000026770680 187320450 /nfs/dbraw/zinc/32/04/50/187320450.db2.gz MPBIVTTULDRGDT-ZDUSSCGKSA-N 1 2 234.299 1.330 40 0 BDABLO O=C(C1CC1)N1CC[C@@]2(CCn3cc[nH+]c32)C1 ZINC000306124124 538042410 /nfs/dbraw/zinc/04/24/10/538042410.db2.gz BGSMDVFNUSYMQH-ZDUSSCGKSA-N 1 2 231.299 1.167 40 0 BDABLO CCCn1nnn(Cc2ccccc2)c1=[NH2+] ZINC000025724747 350256852 /nfs/dbraw/zinc/25/68/52/350256852.db2.gz JEKNMVMSLBJKFZ-UHFFFAOYSA-N 1 2 217.276 1.017 40 0 BDABLO Nc1[nH]c(C(F)(F)F)c([C@H](O)C(F)(F)F)[nH+]1 ZINC000044137466 363151395 /nfs/dbraw/zinc/15/13/95/363151395.db2.gz ZFYGWMGIWKVLRD-VKHMYHEASA-N 1 2 249.114 1.606 40 0 BDABLO CC(C)(C)OC(=O)[C@H]([NH3+])c1cc[nH]c(=O)c1 ZINC000604940609 352389303 /nfs/dbraw/zinc/38/93/03/352389303.db2.gz VQFGSDBDKPQBHM-SECBINFHSA-N 1 2 224.260 1.129 40 0 BDABLO Nc1cc(OCc2ccccc2)nc(N)[nH+]1 ZINC000013602291 355876477 /nfs/dbraw/zinc/87/64/77/355876477.db2.gz MVIHQMTVQZOYCE-UHFFFAOYSA-N 1 2 216.244 1.220 40 0 BDABLO CNc1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072212568 259526273 /nfs/dbraw/zinc/52/62/73/259526273.db2.gz IKUIHEBCJCQYQH-NSHDSACASA-N 1 2 219.288 1.807 40 0 BDABLO c1ncc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)[nH]1 ZINC000205678805 368356089 /nfs/dbraw/zinc/35/60/89/368356089.db2.gz VPZQEDYAPSVADA-LLVKDONJSA-N 1 2 243.314 1.579 40 0 BDABLO c1ncc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)[nH]1 ZINC000205678805 368356094 /nfs/dbraw/zinc/35/60/94/368356094.db2.gz VPZQEDYAPSVADA-LLVKDONJSA-N 1 2 243.314 1.579 40 0 BDABLO COc1cc[nH+]cc1N1CCC(=O)CC1 ZINC000256049931 370634799 /nfs/dbraw/zinc/63/47/99/370634799.db2.gz BZNBECNOEUVARI-UHFFFAOYSA-N 1 2 206.245 1.260 40 0 BDABLO OC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000040431691 183031365 /nfs/dbraw/zinc/03/13/65/183031365.db2.gz CNLPDRKLRWVYTJ-UHFFFAOYSA-N 1 2 217.272 1.524 40 0 BDABLO O[C@@H](COC[C@@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000027332977 183181929 /nfs/dbraw/zinc/18/19/29/183181929.db2.gz WLCNTRVFLVTYKG-CHWSQXEVSA-N 1 2 236.315 1.617 40 0 BDABLO O=c1c2c([nH]n1C1CCCCC1)CC[NH2+]C2 ZINC000110752016 183254917 /nfs/dbraw/zinc/25/49/17/183254917.db2.gz XFTFFSULXNUJLE-UHFFFAOYSA-N 1 2 221.304 1.740 40 0 BDABLO S=C(NCc1ccncc1)Nc1cc[nH+]cc1 ZINC000225178432 183310907 /nfs/dbraw/zinc/31/09/07/183310907.db2.gz MEPCDELPJSGMFT-UHFFFAOYSA-N 1 2 244.323 1.963 40 0 BDABLO c1cc(OCCOc2cc[nH+]cc2)ccn1 ZINC000038548871 183358599 /nfs/dbraw/zinc/35/85/99/183358599.db2.gz RRCWJXNJBQORGX-UHFFFAOYSA-N 1 2 216.240 1.934 40 0 BDABLO CC(=O)N1CCC(c2cc[nH+]c(N(C)C)c2)CC1 ZINC000072381428 384216073 /nfs/dbraw/zinc/21/60/73/384216073.db2.gz KKICTEDXYSJOHV-UHFFFAOYSA-N 1 2 247.342 1.874 40 0 BDABLO OCC[N@H+](Cc1cccnc1)Cc1ccccn1 ZINC000012912457 384340776 /nfs/dbraw/zinc/34/07/76/384340776.db2.gz UMTLOMUSISRJSI-UHFFFAOYSA-N 1 2 243.310 1.471 40 0 BDABLO OCC[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC000012912457 384340786 /nfs/dbraw/zinc/34/07/86/384340786.db2.gz UMTLOMUSISRJSI-UHFFFAOYSA-N 1 2 243.310 1.471 40 0 BDABLO O=CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000086511149 385023206 /nfs/dbraw/zinc/02/32/06/385023206.db2.gz ZPFLVJPPCTYURW-UHFFFAOYSA-N 1 2 220.272 1.087 40 0 BDABLO CCNc1ccc([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072213061 385080311 /nfs/dbraw/zinc/08/03/11/385080311.db2.gz SPNZEEQGOOEMNY-NSHDSACASA-N 1 2 219.288 1.807 40 0 BDABLO OCCc1ccc(N2CCCCC2)[nH+]c1 ZINC000072225461 385122127 /nfs/dbraw/zinc/12/21/27/385122127.db2.gz APMZOFDAEDZUJJ-UHFFFAOYSA-N 1 2 206.289 1.607 40 0 BDABLO CC(C)COc1cccc(C[NH2+]CC[NH3+])c1 ZINC000072226466 385126480 /nfs/dbraw/zinc/12/64/80/385126480.db2.gz RKQHSDZRBRKPBP-UHFFFAOYSA-N 1 2 222.332 1.770 40 0 BDABLO Cc1c(C[NH2+]Cc2ccn(C(C)C)n2)cnn1C ZINC000229811787 387856896 /nfs/dbraw/zinc/85/68/96/387856896.db2.gz FXCAEXLEEBULCE-UHFFFAOYSA-N 1 2 247.346 1.796 40 0 BDABLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CC[NH2+]1 ZINC000217454486 388373927 /nfs/dbraw/zinc/37/39/27/388373927.db2.gz JTJHDIGEQRHIJX-RITPCOANSA-N 1 2 211.183 1.090 40 0 BDABLO C[C@@H]1CN(c2ccc([NH3+])cc2N)C[C@@H](C)O1 ZINC000216765752 132250758 /nfs/dbraw/zinc/25/07/58/132250758.db2.gz GCXPOMYDAJJSAB-RKDXNWHRSA-N 1 2 221.304 1.465 40 0 BDABLO Clc1cc(N2CCc3[nH+]c[nH]c3C2)ncn1 ZINC000044909403 132298050 /nfs/dbraw/zinc/29/80/50/132298050.db2.gz QVNRLAFGOGHJAX-UHFFFAOYSA-N 1 2 235.678 1.416 40 0 BDABLO c1cn(-c2ccc(N3CCCCC3)nn2)c[nH+]1 ZINC000000118639 132312668 /nfs/dbraw/zinc/31/26/68/132312668.db2.gz ZPNRICPNIPVMAZ-UHFFFAOYSA-N 1 2 229.287 1.653 40 0 BDABLO Cc1cc(N2CCC[C@H](C(=O)N(C)C)C2)nc[nH+]1 ZINC000072369033 132397278 /nfs/dbraw/zinc/39/72/78/132397278.db2.gz USWFZGJQXKPWAD-NSHDSACASA-N 1 2 248.330 1.090 40 0 BDABLO CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000090459622 170000278 /nfs/dbraw/zinc/00/02/78/170000278.db2.gz JYFJCYPPWYOCEC-LLVKDONJSA-N 1 2 204.273 1.179 40 0 BDABLO CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000090459622 170000279 /nfs/dbraw/zinc/00/02/79/170000279.db2.gz JYFJCYPPWYOCEC-LLVKDONJSA-N 1 2 204.273 1.179 40 0 BDABLO CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000001614542 170256176 /nfs/dbraw/zinc/25/61/76/170256176.db2.gz FTMOCNFKSDIFQK-LLVKDONJSA-N 1 2 207.273 1.852 40 0 BDABLO CN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020458930 172391427 /nfs/dbraw/zinc/39/14/27/172391427.db2.gz GZGWGTWQGGFXBL-UHFFFAOYSA-N 1 2 248.326 1.221 40 0 BDABLO COc1ccc([NH2+]C[C@H]2C[C@H]2CO)cc1 ZINC000096509352 175151399 /nfs/dbraw/zinc/15/13/99/175151399.db2.gz YLWJAEIPDTYFCG-ZJUUUORDSA-N 1 2 207.273 1.736 40 0 BDABLO COC(=O)[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000141588035 523989319 /nfs/dbraw/zinc/98/93/19/523989319.db2.gz VQNGDZGGEIMHTE-CHWSQXEVSA-N 1 2 249.310 1.185 40 0 BDABLO COC(=O)[C@H]1C[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC000141588035 523989321 /nfs/dbraw/zinc/98/93/21/523989321.db2.gz VQNGDZGGEIMHTE-CHWSQXEVSA-N 1 2 249.310 1.185 40 0 BDABLO CCOC(=O)c1cc2cc(N)[nH+]cc2[nH]1 ZINC000142248274 966260726 /nfs/dbraw/zinc/26/07/26/966260726.db2.gz QONWLAIFOWJRMU-UHFFFAOYSA-N 1 2 205.217 1.322 40 0 BDABLO Cc1cc(N2CCC[C@H]2c2cc[nH]n2)nc[nH+]1 ZINC000072357277 178116194 /nfs/dbraw/zinc/11/61/94/178116194.db2.gz CFODEXTUBJPMON-NSHDSACASA-N 1 2 229.287 1.850 40 0 BDABLO CC(C)Cn1cc(C[NH2+]Cc2ccn(C)n2)cn1 ZINC000256051132 187331013 /nfs/dbraw/zinc/33/10/13/187331013.db2.gz HVXCSSQSEYDBPO-UHFFFAOYSA-N 1 2 247.346 1.562 40 0 BDABLO CN(C)c1[nH+]cccc1[C@H]1CCCN1C=O ZINC000072212644 259317606 /nfs/dbraw/zinc/31/76/06/259317606.db2.gz CZZQBGKJMKRJSP-LLVKDONJSA-N 1 2 219.288 1.441 40 0 BDABLO CSc1nc2[nH]c(C)nc2c(NN(C)C)[nH+]1 ZINC000001845521 342712936 /nfs/dbraw/zinc/71/29/36/342712936.db2.gz GHFUJZDKPMYXBS-UHFFFAOYSA-N 1 2 238.320 1.272 40 0 BDABLO O=C1CC[N@@H+]2Cc3cc4c(cc3C[C@@H]2C1)OCO4 ZINC000024717621 343075922 /nfs/dbraw/zinc/07/59/22/343075922.db2.gz VFQITYZWHSOFHY-LLVKDONJSA-N 1 2 245.278 1.505 40 0 BDABLO O=C1CC[N@H+]2Cc3cc4c(cc3C[C@@H]2C1)OCO4 ZINC000024717621 343075923 /nfs/dbraw/zinc/07/59/23/343075923.db2.gz VFQITYZWHSOFHY-LLVKDONJSA-N 1 2 245.278 1.505 40 0 BDABLO O=C1C[C@@H]([NH+]2CCOCC2)c2ccccc21 ZINC000031719401 343223372 /nfs/dbraw/zinc/22/33/72/343223372.db2.gz IRZZHMWCASJZSQ-GFCCVEGCSA-N 1 2 217.268 1.646 40 0 BDABLO Nc1c(N2CCCC2)nc[nH+]c1N1CCCC1 ZINC000040724198 343408410 /nfs/dbraw/zinc/40/84/10/343408410.db2.gz BLQZQWIMPVHFAG-UHFFFAOYSA-N 1 2 233.319 1.259 40 0 BDABLO CC(C)[C@H]([NH3+])c1nnc([C@H]2CCCO2)[nH]1 ZINC000095534780 187287438 /nfs/dbraw/zinc/28/74/38/187287438.db2.gz FBOLPPDWEIHMRR-SFYZADRCSA-N 1 2 210.281 1.312 40 0 BDABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000585105294 344134157 /nfs/dbraw/zinc/13/41/57/344134157.db2.gz SMGJANXLEBUBFZ-CYBMUJFWSA-N 1 2 248.326 1.461 40 0 BDABLO CC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000001718431 346471101 /nfs/dbraw/zinc/47/11/01/346471101.db2.gz QEAVOECGARETRX-SSDOTTSWSA-N 1 2 205.265 1.574 40 0 BDABLO c1cc([C@H]2CCCCN2Cc2c[nH+]c[nH]2)n[nH]1 ZINC000205687561 348575317 /nfs/dbraw/zinc/57/53/17/348575317.db2.gz JTFJQXWHLUPWEE-GFCCVEGCSA-N 1 2 231.303 1.860 40 0 BDABLO COC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123364 350084519 /nfs/dbraw/zinc/08/45/19/350084519.db2.gz MEEXDXMBRIFSPR-AXFHLTTASA-N 1 2 229.320 1.293 40 0 BDABLO COC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123364 350084521 /nfs/dbraw/zinc/08/45/21/350084521.db2.gz MEEXDXMBRIFSPR-AXFHLTTASA-N 1 2 229.320 1.293 40 0 BDABLO COc1ccc(Cn2c[nH+]cc2CO)cc1F ZINC000409422476 350473799 /nfs/dbraw/zinc/47/37/99/350473799.db2.gz GMXGBJFNHMVQKN-UHFFFAOYSA-N 1 2 236.246 1.571 40 0 BDABLO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cnn1C ZINC000257221828 188020750 /nfs/dbraw/zinc/02/07/50/188020750.db2.gz DQROFHAHKJIRAF-CYBMUJFWSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1c(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cnn1C ZINC000257221828 188020751 /nfs/dbraw/zinc/02/07/51/188020751.db2.gz DQROFHAHKJIRAF-CYBMUJFWSA-N 1 2 245.330 1.789 40 0 BDABLO OC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000247802022 183125170 /nfs/dbraw/zinc/12/51/70/183125170.db2.gz GIYOOAXVAPDOTN-MJBXVCDLSA-N 1 2 248.326 1.053 40 0 BDABLO OC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000247802022 183125171 /nfs/dbraw/zinc/12/51/71/183125171.db2.gz GIYOOAXVAPDOTN-MJBXVCDLSA-N 1 2 248.326 1.053 40 0 BDABLO CCCN(C(=O)OC)c1ccc[nH+]c1N ZINC000095097713 169043983 /nfs/dbraw/zinc/04/39/83/169043983.db2.gz YZEHFJFWRAHLLG-UHFFFAOYSA-N 1 2 209.249 1.647 40 0 BDABLO c1cc([C@H]2CC[N@@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187723 183347338 /nfs/dbraw/zinc/34/73/38/183347338.db2.gz AYDGUHQZRVTPBJ-LBPRGKRZSA-N 1 2 228.299 1.794 40 0 BDABLO c1cc([C@H]2CC[N@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187723 183347340 /nfs/dbraw/zinc/34/73/40/183347340.db2.gz AYDGUHQZRVTPBJ-LBPRGKRZSA-N 1 2 228.299 1.794 40 0 BDABLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)n1 ZINC000257235812 183361842 /nfs/dbraw/zinc/36/18/42/183361842.db2.gz GZPARSIZURAQAN-NSHDSACASA-N 1 2 243.314 1.579 40 0 BDABLO c1c[nH]c(C[N@H+]2CCC[C@H](c3ccncn3)C2)n1 ZINC000257235812 183361845 /nfs/dbraw/zinc/36/18/45/183361845.db2.gz GZPARSIZURAQAN-NSHDSACASA-N 1 2 243.314 1.579 40 0 BDABLO Cc1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000072357313 384213001 /nfs/dbraw/zinc/21/30/01/384213001.db2.gz LQJLNIANDVHJMO-LBPRGKRZSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000072357313 384213007 /nfs/dbraw/zinc/21/30/07/384213007.db2.gz LQJLNIANDVHJMO-LBPRGKRZSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000072357313 384213013 /nfs/dbraw/zinc/21/30/13/384213013.db2.gz LQJLNIANDVHJMO-LBPRGKRZSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1cn[nH]c1[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000072357313 384213018 /nfs/dbraw/zinc/21/30/18/384213018.db2.gz LQJLNIANDVHJMO-LBPRGKRZSA-N 1 2 245.330 1.789 40 0 BDABLO CC[NH+](CC)c1ccc(N)cc1C(=O)N(C)C ZINC000226323973 384979295 /nfs/dbraw/zinc/97/92/95/384979295.db2.gz OWSWTBZPVDKSGF-UHFFFAOYSA-N 1 2 235.331 1.817 40 0 BDABLO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H](C)O ZINC000072223549 385113849 /nfs/dbraw/zinc/11/38/49/385113849.db2.gz CKUJEAFGHKVNFU-SNVBAGLBSA-N 1 2 222.288 1.280 40 0 BDABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000065201718 385506478 /nfs/dbraw/zinc/50/64/78/385506478.db2.gz RXRAGNJSOIYUGT-UHFFFAOYSA-N 1 2 241.294 1.899 40 0 BDABLO COC(=O)[C@H]1C[C@H](C(F)(F)F)CC[NH2+]1 ZINC000217454574 388373637 /nfs/dbraw/zinc/37/36/37/388373637.db2.gz JTJHDIGEQRHIJX-PHDIDXHHSA-N 1 2 211.183 1.090 40 0 BDABLO CCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022183527 168244335 /nfs/dbraw/zinc/24/43/35/168244335.db2.gz XTPBYHXTJPXFHC-UHFFFAOYSA-N 1 2 248.326 1.867 40 0 BDABLO CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038832167 170101877 /nfs/dbraw/zinc/10/18/77/170101877.db2.gz OFJCETANSARMHP-UHFFFAOYSA-N 1 2 229.283 1.681 40 0 BDABLO Cc1nc(N)c2c([nH+]1)C[C@H](c1ccco1)CC2=O ZINC000408712667 411968736 /nfs/dbraw/zinc/96/87/36/411968736.db2.gz GAXKZRCUEVUDDD-QMMMGPOBSA-N 1 2 243.266 1.873 40 0 BDABLO CC[C@@](C)(C(=O)OC)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022123521 171163603 /nfs/dbraw/zinc/16/36/03/171163603.db2.gz IUOXSJDTMHVUNH-NHCYSSNCSA-N 1 2 229.320 1.437 40 0 BDABLO CNc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329014401 173208283 /nfs/dbraw/zinc/20/82/83/173208283.db2.gz MVXVCYAYLPYDQA-UHFFFAOYSA-N 1 2 240.310 1.603 40 0 BDABLO COc1cc2c(cc1O)C[C@@H]1CC(=O)CC[N@@H+]1C2 ZINC000024717630 175023257 /nfs/dbraw/zinc/02/32/57/175023257.db2.gz JDDREZHWKGTQBD-LLVKDONJSA-N 1 2 247.294 1.490 40 0 BDABLO COc1cc2c(cc1O)C[C@@H]1CC(=O)CC[N@H+]1C2 ZINC000024717630 175023258 /nfs/dbraw/zinc/02/32/58/175023258.db2.gz JDDREZHWKGTQBD-LLVKDONJSA-N 1 2 247.294 1.490 40 0 BDABLO COc1ccc(Nc2cc(N)nc(N)[nH+]2)cc1 ZINC000015884427 175155929 /nfs/dbraw/zinc/15/59/29/175155929.db2.gz JUKHQOGWCCREDG-UHFFFAOYSA-N 1 2 231.259 1.393 40 0 BDABLO COc1cccc(C(=O)N2CC[NH+]=C2C)c1 ZINC000032647768 175243738 /nfs/dbraw/zinc/24/37/38/175243738.db2.gz CRWBXHWEVQXABN-UHFFFAOYSA-N 1 2 218.256 1.569 40 0 BDABLO Nc1ccc2[nH]c(-c3cc(N)cc(N)c3)[nH+]c2c1 ZINC000000246869 342681205 /nfs/dbraw/zinc/68/12/05/342681205.db2.gz NOTURRYDNKQNKF-UHFFFAOYSA-N 1 2 239.282 1.977 40 0 BDABLO Cc1ccc(Cn2ncc3c2nc[nH+]c3N)cc1 ZINC000003852625 342738425 /nfs/dbraw/zinc/73/84/25/342738425.db2.gz XLRHCLBZPZRQKD-UHFFFAOYSA-N 1 2 239.282 1.765 40 0 BDABLO C[C@@H](O)CN(C)c1cn[nH+]c2ccccc21 ZINC000082461939 259323443 /nfs/dbraw/zinc/32/34/43/259323443.db2.gz SNPPOYZDFGNYAL-SECBINFHSA-N 1 2 217.272 1.447 40 0 BDABLO Nc1cc(Nc2ccc(F)cc2)[nH+]c(N)n1 ZINC000015884413 342902397 /nfs/dbraw/zinc/90/23/97/342902397.db2.gz UBVJGTGPRSLABI-UHFFFAOYSA-N 1 2 219.223 1.524 40 0 BDABLO Nc1cc(Nc2ccc(F)cc2)nc(N)[nH+]1 ZINC000015884413 342902398 /nfs/dbraw/zinc/90/23/98/342902398.db2.gz UBVJGTGPRSLABI-UHFFFAOYSA-N 1 2 219.223 1.524 40 0 BDABLO CN(C)NCC[N@H+](C)Cc1ccccc1Cl ZINC000019167027 342942885 /nfs/dbraw/zinc/94/28/85/342942885.db2.gz JYOXCDJOLIUSAH-UHFFFAOYSA-N 1 2 241.766 1.838 40 0 BDABLO CN(C)NCC[N@@H+](C)Cc1ccccc1Cl ZINC000019167027 342942886 /nfs/dbraw/zinc/94/28/86/342942886.db2.gz JYOXCDJOLIUSAH-UHFFFAOYSA-N 1 2 241.766 1.838 40 0 BDABLO CC[C@](C)(C(=O)OC)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022123517 343040372 /nfs/dbraw/zinc/04/03/72/343040372.db2.gz IUOXSJDTMHVUNH-JBLDHEPKSA-N 1 2 229.320 1.437 40 0 BDABLO CC1(C)C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291352126 187348670 /nfs/dbraw/zinc/34/86/70/187348670.db2.gz TVIGMCPIHFUVBQ-JTQLQIEISA-N 1 2 234.303 1.207 40 0 BDABLO Cc1nccc(C2CN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072381916 187276355 /nfs/dbraw/zinc/27/63/55/187276355.db2.gz YUEULMDJMMBVAR-UHFFFAOYSA-N 1 2 241.298 1.487 40 0 BDABLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccco1 ZINC000585097119 344131186 /nfs/dbraw/zinc/13/11/86/344131186.db2.gz HPHJFGOWYRIUFT-GFCCVEGCSA-N 1 2 247.298 1.243 40 0 BDABLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1ccco1 ZINC000585097119 344131188 /nfs/dbraw/zinc/13/11/88/344131188.db2.gz HPHJFGOWYRIUFT-GFCCVEGCSA-N 1 2 247.298 1.243 40 0 BDABLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccco1 ZINC000585097122 344131363 /nfs/dbraw/zinc/13/13/63/344131363.db2.gz HPHJFGOWYRIUFT-LBPRGKRZSA-N 1 2 247.298 1.243 40 0 BDABLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccco1 ZINC000585097122 344131364 /nfs/dbraw/zinc/13/13/64/344131364.db2.gz HPHJFGOWYRIUFT-LBPRGKRZSA-N 1 2 247.298 1.243 40 0 BDABLO COC(=O)C(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123103 350084508 /nfs/dbraw/zinc/08/45/08/350084508.db2.gz LUZYGXULZYWEBC-DTORHVGOSA-N 1 2 215.293 1.047 40 0 BDABLO COC(=O)C(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123103 350084510 /nfs/dbraw/zinc/08/45/10/350084510.db2.gz LUZYGXULZYWEBC-DTORHVGOSA-N 1 2 215.293 1.047 40 0 BDABLO CC1=[NH+]CCN1C(=O)c1ccc(F)cc1 ZINC000032647765 191134476 /nfs/dbraw/zinc/13/44/76/191134476.db2.gz NYIIEFMUISUYIK-UHFFFAOYSA-N 1 2 206.220 1.700 40 0 BDABLO C[NH+]1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000248091191 188019184 /nfs/dbraw/zinc/01/91/84/188019184.db2.gz VIULDAIEGZAVJY-ZDUSSCGKSA-N 1 2 248.326 1.461 40 0 BDABLO OC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000107816837 183123687 /nfs/dbraw/zinc/12/36/87/183123687.db2.gz GIYOOAXVAPDOTN-BFHYXJOUSA-N 1 2 248.326 1.053 40 0 BDABLO OC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccnc1 ZINC000107816837 183123690 /nfs/dbraw/zinc/12/36/90/183123690.db2.gz GIYOOAXVAPDOTN-BFHYXJOUSA-N 1 2 248.326 1.053 40 0 BDABLO O[C@@H](COC[C@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000027332971 183181720 /nfs/dbraw/zinc/18/17/20/183181720.db2.gz WLCNTRVFLVTYKG-QWHCGFSZSA-N 1 2 236.315 1.617 40 0 BDABLO CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000085472858 169249721 /nfs/dbraw/zinc/24/97/21/169249721.db2.gz MNXDJOPVXONSTH-UHFFFAOYSA-N 1 2 230.271 1.407 40 0 BDABLO c1c[nH+]c(CN2CCCC[C@H]2c2ccncn2)[nH]1 ZINC000072382062 183361273 /nfs/dbraw/zinc/36/12/73/183361273.db2.gz QRBUXWPTDWBFTJ-LBPRGKRZSA-N 1 2 243.314 1.927 40 0 BDABLO Cc1nc(Cl)c2c(c1C)C(=[NH2+])NC2=N ZINC000066089446 383846533 /nfs/dbraw/zinc/84/65/33/383846533.db2.gz PQBREVRQGOIFAZ-UHFFFAOYSA-N 1 2 208.652 1.396 40 0 BDABLO Cc1cccc(-c2n[nH]c([C@@H](C)[NH3+])n2)c1 ZINC000061843924 384383453 /nfs/dbraw/zinc/38/34/53/384383453.db2.gz KFMTYFZFDZWYFQ-MRVPVSSYSA-N 1 2 202.261 1.800 40 0 BDABLO CC(C)(C)OC(=O)N1CC(F)(F)[C@@H]2[NH2+]C[C@@H]21 ZINC000095630801 384385998 /nfs/dbraw/zinc/38/59/98/384385998.db2.gz XLTKDPRBZWJZEZ-NKWVEPMBSA-N 1 2 234.246 1.213 40 0 BDABLO CCCn1c(C=O)ccc1Cn1cc[nH+]c1 ZINC000078404628 384443588 /nfs/dbraw/zinc/44/35/88/384443588.db2.gz RZICOTWJGGSQSW-UHFFFAOYSA-N 1 2 217.272 1.955 40 0 BDABLO CCN(C)c1ccc([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072212703 385078456 /nfs/dbraw/zinc/07/84/56/385078456.db2.gz MOKRHXSMVFPYAQ-LBPRGKRZSA-N 1 2 233.315 1.831 40 0 BDABLO C[C@@H]([NH3+])c1nnc(COc2ccc(F)cc2)[nH]1 ZINC000095534657 385047197 /nfs/dbraw/zinc/04/71/97/385047197.db2.gz MDNXJBKRXUJEIO-SSDOTTSWSA-N 1 2 236.250 1.543 40 0 BDABLO C[C@H]1[C@@](c2ccccc2)([NH+](C)C)CS1(=O)=O ZINC000031760217 385102364 /nfs/dbraw/zinc/10/23/64/385102364.db2.gz DAHLIVHEFCNDLW-JQWIXIFHSA-N 1 2 239.340 1.260 40 0 BDABLO c1cnc([C@@H]2CCC[N@H+]2Cc2cncnc2)cn1 ZINC000257316982 385764624 /nfs/dbraw/zinc/76/46/24/385764624.db2.gz VHVCPPVHQGZPAU-ZDUSSCGKSA-N 1 2 241.298 1.604 40 0 BDABLO c1cnc([C@@H]2CCC[N@@H+]2Cc2cncnc2)cn1 ZINC000257316982 385764628 /nfs/dbraw/zinc/76/46/28/385764628.db2.gz VHVCPPVHQGZPAU-ZDUSSCGKSA-N 1 2 241.298 1.604 40 0 BDABLO Cc1nc(N)cc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000257343499 385766756 /nfs/dbraw/zinc/76/67/56/385766756.db2.gz ZTGYRHNPCJHRBM-LLVKDONJSA-N 1 2 236.319 1.149 40 0 BDABLO Cc1nc(N)cc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000257343499 385766761 /nfs/dbraw/zinc/76/67/61/385766761.db2.gz ZTGYRHNPCJHRBM-LLVKDONJSA-N 1 2 236.319 1.149 40 0 BDABLO C[NH2+][C@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869961 386105172 /nfs/dbraw/zinc/10/51/72/386105172.db2.gz MPMTYZMURYBDCD-QMMMGPOBSA-N 1 2 216.643 1.225 40 0 BDABLO CO[C@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000247830421 386734153 /nfs/dbraw/zinc/73/41/53/386734153.db2.gz HLHPYJGJBGTTLB-CYBMUJFWSA-N 1 2 247.298 1.507 40 0 BDABLO CO[C@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000247830421 386734161 /nfs/dbraw/zinc/73/41/61/386734161.db2.gz HLHPYJGJBGTTLB-CYBMUJFWSA-N 1 2 247.298 1.507 40 0 BDABLO Cn1ccc(C[NH2+]Cc2ccc(F)s2)n1 ZINC000256052897 387860812 /nfs/dbraw/zinc/86/08/12/387860812.db2.gz PCHVRHCYYOTFEM-UHFFFAOYSA-N 1 2 225.292 1.911 40 0 BDABLO O=C(C[N@H+]1CCC[C@H](O)C1)c1cccs1 ZINC000050152802 387904414 /nfs/dbraw/zinc/90/44/14/387904414.db2.gz LGXOMUFXPRDTJX-VIFPVBQESA-N 1 2 225.313 1.388 40 0 BDABLO O=C(C[N@@H+]1CCC[C@H](O)C1)c1cccs1 ZINC000050152802 387904418 /nfs/dbraw/zinc/90/44/18/387904418.db2.gz LGXOMUFXPRDTJX-VIFPVBQESA-N 1 2 225.313 1.388 40 0 BDABLO C[C@@H]1CN(c2ccc([NH3+])cc2N)C[C@H](C)O1 ZINC000216765797 132250736 /nfs/dbraw/zinc/25/07/36/132250736.db2.gz GCXPOMYDAJJSAB-DTORHVGOSA-N 1 2 221.304 1.465 40 0 BDABLO CCOC(=O)[C@@H]([NH3+])c1ccncc1Cl ZINC000514251252 398041344 /nfs/dbraw/zinc/04/13/44/398041344.db2.gz UZBGFTWHGPPNLK-QMMMGPOBSA-N 1 2 214.652 1.298 40 0 BDABLO CCNC(=O)c1cc(C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257271911 170100315 /nfs/dbraw/zinc/10/03/15/170100315.db2.gz NAHXXIRYHHINRK-LLVKDONJSA-N 1 2 248.330 1.301 40 0 BDABLO CCNC(=O)c1cc(C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257271911 170100317 /nfs/dbraw/zinc/10/03/17/170100317.db2.gz NAHXXIRYHHINRK-LLVKDONJSA-N 1 2 248.330 1.301 40 0 BDABLO Cc1cccc(Nc2c(N)nc(N)[nH+]c2N)c1 ZINC000001694017 411923792 /nfs/dbraw/zinc/92/37/92/411923792.db2.gz PYGWLWUKFPHHOU-UHFFFAOYSA-N 1 2 230.275 1.275 40 0 BDABLO CCn1cc(CNc2cccc[nH+]2)cn1 ZINC000072226472 172175576 /nfs/dbraw/zinc/17/55/76/172175576.db2.gz KWZANRYZMIZYAV-UHFFFAOYSA-N 1 2 202.261 1.910 40 0 BDABLO CCn1ncc(C[NH2+]Cc2ccco2)c1F ZINC000256050205 172254996 /nfs/dbraw/zinc/25/49/96/172254996.db2.gz DDWGLVQQCQNWLL-UHFFFAOYSA-N 1 2 223.251 1.925 40 0 BDABLO C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000019418573 173072621 /nfs/dbraw/zinc/07/26/21/173072621.db2.gz VUYDNPFIXSHKBS-UHFFFAOYSA-N 1 2 210.302 1.136 40 0 BDABLO COc1ccc(C(=O)N2CC[NH+]=C2C)cc1 ZINC000032647761 175056716 /nfs/dbraw/zinc/05/67/16/175056716.db2.gz CKRUVTNWCDPFTF-UHFFFAOYSA-N 1 2 218.256 1.569 40 0 BDABLO CCCn1nccc1C[NH2+]Cc1ccn(CC)n1 ZINC000020349828 521672746 /nfs/dbraw/zinc/67/27/46/521672746.db2.gz CJGWFUKKTZQQPY-UHFFFAOYSA-N 1 2 247.346 1.799 40 0 BDABLO CCn1cc(C[NH2+]Cc2ccn(C)n2)c(C)n1 ZINC000020349805 523384962 /nfs/dbraw/zinc/38/49/62/523384962.db2.gz SZKUFHATVCOSIC-UHFFFAOYSA-N 1 2 233.319 1.235 40 0 BDABLO Cc1cc(=O)n2[nH]c([C@H]3CCC[NH2+]C3)cc2n1 ZINC000100227213 178201795 /nfs/dbraw/zinc/20/17/95/178201795.db2.gz LWLPGCHQVFOCGM-VIFPVBQESA-N 1 2 232.287 1.210 40 0 BDABLO Cc1ccc(F)c2c1[nH+]cc1c2NCCNC1=O ZINC000064874853 259312855 /nfs/dbraw/zinc/31/28/55/259312855.db2.gz OHOJBDPKMCECII-UHFFFAOYSA-N 1 2 245.257 1.838 40 0 BDABLO Cc1nn(C)c(C[NH+](C)C)c1Br ZINC000072220839 259319284 /nfs/dbraw/zinc/31/92/84/259319284.db2.gz PEYGMZQJGBVRPS-UHFFFAOYSA-N 1 2 232.125 1.553 40 0 BDABLO CC[NH+]1CCN(c2ccc(C(=O)[O-])c(C)[nH+]2)CC1 ZINC000072224667 259322099 /nfs/dbraw/zinc/32/20/99/259322099.db2.gz PTTYBMVLEKKEBX-UHFFFAOYSA-N 1 2 249.314 1.230 40 0 BDABLO Nc1nc(-c2ccccc2)[nH+]c(N)c1C=O ZINC000001556519 346448673 /nfs/dbraw/zinc/44/86/73/346448673.db2.gz ZDICACNWCFOORL-UHFFFAOYSA-N 1 2 214.228 1.121 40 0 BDABLO Cc1cc(N2CC(Cc3nccs3)C2)nc[nH+]1 ZINC000205678707 348573146 /nfs/dbraw/zinc/57/31/46/348573146.db2.gz VRGBYNZZDUNZHV-UHFFFAOYSA-N 1 2 246.339 1.920 40 0 BDABLO Cc1nn(-c2ccccn2)c2nc[nH+]c(N)c12 ZINC000013212954 180331388 /nfs/dbraw/zinc/33/13/88/180331388.db2.gz JYKWCVYAMNCBPO-UHFFFAOYSA-N 1 2 226.243 1.101 40 0 BDABLO COC(=O)[C@@]1([NH3+])C[C@@H]1c1c[nH]c2ccccc21 ZINC000218160130 372071131 /nfs/dbraw/zinc/07/11/31/372071131.db2.gz ZPFJLVMSVXBDKW-ZWNOBZJWSA-N 1 2 230.267 1.526 40 0 BDABLO OC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000107816842 183125826 /nfs/dbraw/zinc/12/58/26/183125826.db2.gz GIYOOAXVAPDOTN-MELADBBJSA-N 1 2 248.326 1.053 40 0 BDABLO OC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1cccnc1 ZINC000107816842 183125828 /nfs/dbraw/zinc/12/58/28/183125828.db2.gz GIYOOAXVAPDOTN-MELADBBJSA-N 1 2 248.326 1.053 40 0 BDABLO [NH3+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000087878892 383871909 /nfs/dbraw/zinc/87/19/09/383871909.db2.gz MHFOHLNBBAHMLF-QMMMGPOBSA-N 1 2 242.204 1.872 40 0 BDABLO CC(C)[N@H+](CCO)CC(=O)c1ccco1 ZINC000050158096 383830277 /nfs/dbraw/zinc/83/02/77/383830277.db2.gz QGPGQIAYQSXHCC-UHFFFAOYSA-N 1 2 211.261 1.165 40 0 BDABLO CC(C)[N@@H+](CCO)CC(=O)c1ccco1 ZINC000050158096 383830285 /nfs/dbraw/zinc/83/02/85/383830285.db2.gz QGPGQIAYQSXHCC-UHFFFAOYSA-N 1 2 211.261 1.165 40 0 BDABLO CC[NH+](CC)c1ccc(N)cc1C(N)=O ZINC000009238016 384110110 /nfs/dbraw/zinc/11/01/10/384110110.db2.gz DOSSRKALOZCYQZ-UHFFFAOYSA-N 1 2 207.277 1.214 40 0 BDABLO COC(=O)CC1CC[NH+](CC(F)F)CC1 ZINC000072209464 384199503 /nfs/dbraw/zinc/19/95/03/384199503.db2.gz JCYZWIYMAQQOSD-UHFFFAOYSA-N 1 2 221.247 1.527 40 0 BDABLO Cc1c[nH]nc1[C@@H]1CCCN1Cc1[nH]cc[nH+]1 ZINC000072357397 384213377 /nfs/dbraw/zinc/21/33/77/384213377.db2.gz WSXSXWRLZYSHBY-JTQLQIEISA-N 1 2 231.303 1.778 40 0 BDABLO Cc1cccc(-c2n[nH]c([C@H](C)[NH3+])n2)c1 ZINC000061843925 384383749 /nfs/dbraw/zinc/38/37/49/384383749.db2.gz KFMTYFZFDZWYFQ-QMMMGPOBSA-N 1 2 202.261 1.800 40 0 BDABLO CC(C)(C)OC(=O)N1CC(F)(F)[C@H]2[NH2+]C[C@@H]21 ZINC000095630800 384385035 /nfs/dbraw/zinc/38/50/35/384385035.db2.gz XLTKDPRBZWJZEZ-BQBZGAKWSA-N 1 2 234.246 1.213 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1 ZINC000096057756 384431448 /nfs/dbraw/zinc/43/14/48/384431448.db2.gz DEUPGONUQYHGQG-YNEHKIRRSA-N 1 2 237.299 1.658 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccoc1 ZINC000096057756 384431458 /nfs/dbraw/zinc/43/14/58/384431458.db2.gz DEUPGONUQYHGQG-YNEHKIRRSA-N 1 2 237.299 1.658 40 0 BDABLO C[C@H]([NH3+])c1nnc(COc2ccc(F)cc2)[nH]1 ZINC000095534656 385047327 /nfs/dbraw/zinc/04/73/27/385047327.db2.gz MDNXJBKRXUJEIO-ZETCQYMHSA-N 1 2 236.250 1.543 40 0 BDABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N ZINC000072212451 385075291 /nfs/dbraw/zinc/07/52/91/385075291.db2.gz PIORCWGHRNBLTK-NSHDSACASA-N 1 2 219.288 1.737 40 0 BDABLO CC[C@H](O)c1c[nH+]c(N2CCOCC2)cc1C ZINC000072223551 385113570 /nfs/dbraw/zinc/11/35/70/385113570.db2.gz DVULAWJQATUCFH-LBPRGKRZSA-N 1 2 236.315 1.670 40 0 BDABLO Cc1c[nH+]c([C@H]2CCCN(c3ncccn3)C2)[nH]1 ZINC000257319348 385763957 /nfs/dbraw/zinc/76/39/57/385763957.db2.gz VRZUIPJTCORZDX-NSHDSACASA-N 1 2 243.314 1.892 40 0 BDABLO c1cnc([C@H]2CCC[N@H+]2Cc2cncnc2)cn1 ZINC000257316981 385765306 /nfs/dbraw/zinc/76/53/06/385765306.db2.gz VHVCPPVHQGZPAU-CYBMUJFWSA-N 1 2 241.298 1.604 40 0 BDABLO c1cnc([C@H]2CCC[N@@H+]2Cc2cncnc2)cn1 ZINC000257316981 385765312 /nfs/dbraw/zinc/76/53/12/385765312.db2.gz VHVCPPVHQGZPAU-CYBMUJFWSA-N 1 2 241.298 1.604 40 0 BDABLO Cc1ccc2c(c1)OC[C@@]21COCC[NH2+]1 ZINC000306145324 385992843 /nfs/dbraw/zinc/99/28/43/385992843.db2.gz BMACEIKMICHOHG-LBPRGKRZSA-N 1 2 205.257 1.203 40 0 BDABLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000091691657 386313508 /nfs/dbraw/zinc/31/35/08/386313508.db2.gz HPLLEDNQVOZKFU-ZDUSSCGKSA-N 1 2 249.310 1.451 40 0 BDABLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000091691657 386313515 /nfs/dbraw/zinc/31/35/15/386313515.db2.gz HPLLEDNQVOZKFU-ZDUSSCGKSA-N 1 2 249.310 1.451 40 0 BDABLO Nc1ccc([NH+]2CCCC2)c(-n2cnnc2)c1 ZINC000070461810 387068609 /nfs/dbraw/zinc/06/86/09/387068609.db2.gz SEOJLDCZPJEIQO-UHFFFAOYSA-N 1 2 229.287 1.450 40 0 BDABLO Nc1c(-c2ccc(Cl)cc2)[nH+]cn1N ZINC000052838113 387496779 /nfs/dbraw/zinc/49/67/79/387496779.db2.gz BMFQWWWBQQVUMP-UHFFFAOYSA-N 1 2 208.652 1.500 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2cc(C)nn2C)n1 ZINC000256051046 387858888 /nfs/dbraw/zinc/85/88/88/387858888.db2.gz HMNMRTCZHYXBHD-UHFFFAOYSA-N 1 2 247.346 1.625 40 0 BDABLO CCCn1cc(C[NH2+]Cc2ccn(C)n2)c(C)n1 ZINC000256050472 387859125 /nfs/dbraw/zinc/85/91/25/387859125.db2.gz FDCZQXCBFHQAOB-UHFFFAOYSA-N 1 2 247.346 1.625 40 0 BDABLO CC(C)(C)OC(=O)[C@@H]1C[C@H](OC(C)(C)C)C[NH2+]1 ZINC000082308273 388642127 /nfs/dbraw/zinc/64/21/27/388642127.db2.gz YXZJRETWUVFEFX-UWVGGRQHSA-N 1 2 243.347 1.874 40 0 BDABLO C[C@H]([NH3+])c1nc(-c2cccc(O)c2)n[nH]1 ZINC000095534644 388778993 /nfs/dbraw/zinc/77/89/93/388778993.db2.gz KNMZJDKVONFTSX-LURJTMIESA-N 1 2 204.233 1.197 40 0 BDABLO CC(C)c1cc(C[NH2+]Cc2ccn(C)n2)n(C)n1 ZINC000256049985 398040561 /nfs/dbraw/zinc/04/05/61/398040561.db2.gz CDNMUTQINNYBQG-UHFFFAOYSA-N 1 2 247.346 1.567 40 0 BDABLO CCNc1[nH+]cnc2c1cnn2[C@@H]1CCCO1 ZINC000002044693 170178046 /nfs/dbraw/zinc/17/80/46/170178046.db2.gz HWUQZPKRYYDUIA-VIFPVBQESA-N 1 2 233.275 1.567 40 0 BDABLO CCn1ccc(C[NH2+]Cc2c(C)cnn2CC)n1 ZINC000256051451 172201180 /nfs/dbraw/zinc/20/11/80/172201180.db2.gz JFTSONQMWVLZDW-UHFFFAOYSA-N 1 2 247.346 1.718 40 0 BDABLO COc1cc2c(cc1O)C[N@@H+]1CCC(=O)C[C@H]1C2 ZINC000024717615 175023406 /nfs/dbraw/zinc/02/34/06/175023406.db2.gz OKUPCJIUKDLYEZ-LLVKDONJSA-N 1 2 247.294 1.490 40 0 BDABLO COc1cc2c(cc1O)C[N@H+]1CCC(=O)C[C@H]1C2 ZINC000024717615 175023407 /nfs/dbraw/zinc/02/34/07/175023407.db2.gz OKUPCJIUKDLYEZ-LLVKDONJSA-N 1 2 247.294 1.490 40 0 BDABLO CC(C)(C)OC(=O)CCc1cccc(N)[nH+]1 ZINC000228937578 518791783 /nfs/dbraw/zinc/79/17/83/518791783.db2.gz CJBAYXQLXJLIBW-UHFFFAOYSA-N 1 2 222.288 1.938 40 0 BDABLO Cc1cc2ncn(C[NH+]3CCOCC3)c2cc1C ZINC000058584336 178305806 /nfs/dbraw/zinc/30/58/06/178305806.db2.gz IROARECCDHPYGW-UHFFFAOYSA-N 1 2 245.326 1.943 40 0 BDABLO C[NH+](C)[C@H](CO)c1c(F)cccc1F ZINC000070452995 259313486 /nfs/dbraw/zinc/31/34/86/259313486.db2.gz JIRIBMJWIBYWCS-SECBINFHSA-N 1 2 201.216 1.560 40 0 BDABLO c1nn([C@@H]2CCCCO2)c2nc[nH+]c(N3CC3)c12 ZINC000002045429 342715332 /nfs/dbraw/zinc/71/53/32/342715332.db2.gz WOWVNYFKIVFUJC-JTQLQIEISA-N 1 2 245.286 1.345 40 0 in-vitro BDABLO CC[C@](C)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000030769419 342789486 /nfs/dbraw/zinc/78/94/86/342789486.db2.gz ODBGTFLZFHGRPX-KOLCDFICSA-N 1 2 215.293 1.097 40 0 BDABLO Cc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622868 343300847 /nfs/dbraw/zinc/30/08/47/343300847.db2.gz FSKYQMYLIYKANW-STQMWFEESA-N 1 2 248.326 1.401 40 0 BDABLO Cc1ccc([C@H](C[NH3+])[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622868 343300849 /nfs/dbraw/zinc/30/08/49/343300849.db2.gz FSKYQMYLIYKANW-STQMWFEESA-N 1 2 248.326 1.401 40 0 BDABLO CC(C)[N@H+](C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)[O-] ZINC000101677326 344324248 /nfs/dbraw/zinc/32/42/48/344324248.db2.gz BGVCLLPQIGTKJH-MNOVXSKESA-N 1 2 228.336 1.312 40 0 BDABLO CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)[O-] ZINC000101677326 344324249 /nfs/dbraw/zinc/32/42/49/344324249.db2.gz BGVCLLPQIGTKJH-MNOVXSKESA-N 1 2 228.336 1.312 40 0 BDABLO CC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000205694017 348575958 /nfs/dbraw/zinc/57/59/58/348575958.db2.gz VGICKJRKXVQUGH-LBPRGKRZSA-N 1 2 233.315 1.529 40 0 BDABLO COC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022123371 350084558 /nfs/dbraw/zinc/08/45/58/350084558.db2.gz MEEXDXMBRIFSPR-DCAQKATOSA-N 1 2 229.320 1.293 40 0 BDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccco1 ZINC000256052838 180351634 /nfs/dbraw/zinc/35/16/34/180351634.db2.gz OWKGMFUFGWKRJJ-UHFFFAOYSA-N 1 2 223.251 1.750 40 0 BDABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[NH2+]1 ZINC000211216998 351120309 /nfs/dbraw/zinc/12/03/09/351120309.db2.gz GMNWHMJRYFBQOV-LBPRGKRZSA-N 1 2 234.299 1.188 40 0 BDABLO NC(=S)C(N)=[NH+]Nc1ccc(Cl)cc1 ZINC000001758024 181200323 /nfs/dbraw/zinc/20/03/23/181200323.db2.gz RQRUBLCWBYABQY-UHFFFAOYSA-N 1 2 228.708 1.520 40 0 BDABLO Cn1ccc(C[NH2+]Cc2cccc(F)c2F)n1 ZINC000020349087 357339591 /nfs/dbraw/zinc/33/95/91/357339591.db2.gz NDTGJOYPEZSAQQ-UHFFFAOYSA-N 1 2 237.253 1.988 40 0 BDABLO COC(=O)[C@]1([NH3+])C[C@@H]1c1c[nH]c2ccccc21 ZINC000218160067 372071219 /nfs/dbraw/zinc/07/12/19/372071219.db2.gz ZPFJLVMSVXBDKW-MFKMUULPSA-N 1 2 230.267 1.526 40 0 BDABLO O=C(NCC1CC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000043752633 182140108 /nfs/dbraw/zinc/14/01/08/182140108.db2.gz QXHNIZCOODMZEM-UHFFFAOYSA-N 1 2 242.282 1.407 40 0 BDABLO O=c1c2c([nH]n1-c1ccccc1)CC[NH2+]C2 ZINC000170609043 183255418 /nfs/dbraw/zinc/25/54/18/183255418.db2.gz LKFJNXWTJPSFHQ-UHFFFAOYSA-N 1 2 215.256 1.224 40 0 BDABLO CC(C)[N@H+](CCO)CC(=O)c1cccs1 ZINC000050158095 383830050 /nfs/dbraw/zinc/83/00/50/383830050.db2.gz AIADVJUADLCYMM-UHFFFAOYSA-N 1 2 227.329 1.634 40 0 BDABLO CC(C)[N@@H+](CCO)CC(=O)c1cccs1 ZINC000050158095 383830058 /nfs/dbraw/zinc/83/00/58/383830058.db2.gz AIADVJUADLCYMM-UHFFFAOYSA-N 1 2 227.329 1.634 40 0 BDABLO Ic1ccn2cc[nH+]c2c1 ZINC000072267256 384204257 /nfs/dbraw/zinc/20/42/57/384204257.db2.gz LXPYXLTZQOLCIZ-UHFFFAOYSA-N 1 2 244.035 1.939 40 0 BDABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000097953719 384579612 /nfs/dbraw/zinc/57/96/12/384579612.db2.gz FOQIRWRTPLHFLG-MELADBBJSA-N 1 2 248.326 1.460 40 0 BDABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000097953719 384579620 /nfs/dbraw/zinc/57/96/20/384579620.db2.gz FOQIRWRTPLHFLG-MELADBBJSA-N 1 2 248.326 1.460 40 0 BDABLO COC(=[NH2+])CCOC(=O)c1ccccc1 ZINC000104031764 384794557 /nfs/dbraw/zinc/79/45/57/384794557.db2.gz RBAUBAQRWMWLQD-UHFFFAOYSA-N 1 2 207.229 1.857 40 0 BDABLO C/C(=C\c1ccccc1)C[N@@H+]1CCNC(=O)C1 ZINC000179593944 385475961 /nfs/dbraw/zinc/47/59/61/385475961.db2.gz UNYKHEDOMQDUBM-FMIVXFBMSA-N 1 2 230.311 1.522 40 0 BDABLO C/C(=C\c1ccccc1)C[N@H+]1CCNC(=O)C1 ZINC000179593944 385475964 /nfs/dbraw/zinc/47/59/64/385475964.db2.gz UNYKHEDOMQDUBM-FMIVXFBMSA-N 1 2 230.311 1.522 40 0 BDABLO c1cc([C@H]2CC[N@@H+](Cc3cncnc3)C2)[nH]n1 ZINC000257335316 385764405 /nfs/dbraw/zinc/76/44/05/385764405.db2.gz YJQHYZPTYGZSCU-NSHDSACASA-N 1 2 229.287 1.189 40 0 BDABLO c1cc([C@H]2CC[N@H+](Cc3cncnc3)C2)[nH]n1 ZINC000257335316 385764408 /nfs/dbraw/zinc/76/44/08/385764408.db2.gz YJQHYZPTYGZSCU-NSHDSACASA-N 1 2 229.287 1.189 40 0 BDABLO Fc1ccc2c(c1)[C@@]1(CO2)COCC[NH2+]1 ZINC000306145418 385994545 /nfs/dbraw/zinc/99/45/45/385994545.db2.gz DYTTYTMRVZMAFR-NSHDSACASA-N 1 2 209.220 1.033 40 0 BDABLO CO[C@H]1CCOC2(C[NH+](Cc3ccccn3)C2)C1 ZINC000247958724 386737748 /nfs/dbraw/zinc/73/77/48/386737748.db2.gz PQIYTLICRPBMHP-ZDUSSCGKSA-N 1 2 248.326 1.461 40 0 BDABLO Cc1cnn(C)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256053711 387863380 /nfs/dbraw/zinc/86/33/80/387863380.db2.gz SNNLZZNUGIJXPB-UHFFFAOYSA-N 1 2 247.346 1.796 40 0 BDABLO Cc1ccc(C=O)c(N2CCOCC2)[nH+]1 ZINC000217733384 388380059 /nfs/dbraw/zinc/38/00/59/388380059.db2.gz DTXFFVMXQOHVRN-UHFFFAOYSA-N 1 2 206.245 1.039 40 0 BDABLO CC[NH+](CC)c1ccc(N)cc1C(=O)NC ZINC000225483833 169803802 /nfs/dbraw/zinc/80/38/02/169803802.db2.gz RERSANSUBZRZLR-UHFFFAOYSA-N 1 2 221.304 1.475 40 0 BDABLO CCNc1cc(-c2cccnc2)[nH+]c(NCC)n1 ZINC000329041285 170041322 /nfs/dbraw/zinc/04/13/22/170041322.db2.gz SHQKBFRTAPAPBH-UHFFFAOYSA-N 1 2 243.314 1.246 40 0 BDABLO Cc1nc(N)cc(Cc2ccsc2)[nH+]1 ZINC000575622640 411939544 /nfs/dbraw/zinc/93/95/44/411939544.db2.gz ZZNFZLDUVOUYQF-UHFFFAOYSA-N 1 2 205.286 2.020 40 0 BDABLO CC[C@H](C)n1ncc2c1nc[nH+]c2N(C)C ZINC000006412408 171417865 /nfs/dbraw/zinc/41/78/65/171417865.db2.gz VQAYSIOAZNZKRE-QMMMGPOBSA-N 1 2 219.292 1.863 40 0 BDABLO CCn1ccc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000020352525 172200811 /nfs/dbraw/zinc/20/08/11/172200811.db2.gz FRAJHDDDKMSCNW-UHFFFAOYSA-N 1 2 231.299 1.898 40 0 BDABLO CCn1ccc(C[NH2+]Cc2ccnn2C(C)C)n1 ZINC000256055174 172201667 /nfs/dbraw/zinc/20/16/67/172201667.db2.gz ZODZGXAQEYFZAG-UHFFFAOYSA-N 1 2 247.346 1.970 40 0 BDABLO C[C@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000033763892 177020090 /nfs/dbraw/zinc/02/00/90/177020090.db2.gz PPDIUNOGUIAFLV-DTWKUNHWSA-N 1 2 231.336 1.859 40 0 BDABLO CCc1[nH+]c(C(=N)OC)c2ccccn12 ZINC000225745343 522155619 /nfs/dbraw/zinc/15/56/19/522155619.db2.gz QNHHDXPTFFXNKK-UHFFFAOYSA-N 1 2 203.245 1.868 40 0 BDABLO CN(N)c1[nH+]cccc1Br ZINC000199542845 523619540 /nfs/dbraw/zinc/61/95/40/523619540.db2.gz TWABBVLWJXRKGV-UHFFFAOYSA-N 1 2 202.055 1.154 40 0 BDABLO C[NH+](C)[C@]12CS(=O)(=O)[C@H]1CCCCC2 ZINC000005573245 342766256 /nfs/dbraw/zinc/76/62/56/342766256.db2.gz ZUVUSIRWYKLPBE-VHSXEESVSA-N 1 2 217.334 1.048 40 0 BDABLO Cc1cc(N2CCOCC2)[nH+]cc1C=O ZINC000072223540 259321586 /nfs/dbraw/zinc/32/15/86/259321586.db2.gz BSFRYJLOMWTNEI-UHFFFAOYSA-N 1 2 206.245 1.039 40 0 BDABLO O=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000012648960 342856047 /nfs/dbraw/zinc/85/60/47/342856047.db2.gz VTYYMGLCWOHJQM-GFCCVEGCSA-N 1 2 219.284 1.070 40 0 BDABLO O=C1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000012648960 342856048 /nfs/dbraw/zinc/85/60/48/342856048.db2.gz VTYYMGLCWOHJQM-GFCCVEGCSA-N 1 2 219.284 1.070 40 0 BDABLO COC(=O)[C@@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022123367 343040331 /nfs/dbraw/zinc/04/03/31/343040331.db2.gz MEEXDXMBRIFSPR-GARJFASQSA-N 1 2 229.320 1.293 40 0 BDABLO Clc1ncc(C2=[NH+]CCN2)c(Cl)n1 ZINC000585090250 344126805 /nfs/dbraw/zinc/12/68/05/344126805.db2.gz WOFGVXVWFNFUCE-UHFFFAOYSA-N 1 2 217.059 1.133 40 0 BDABLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccoc1 ZINC000585096690 344131289 /nfs/dbraw/zinc/13/12/89/344131289.db2.gz AIRFWXZKLGJDIR-CYBMUJFWSA-N 1 2 247.298 1.243 40 0 BDABLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1ccoc1 ZINC000585096690 344131291 /nfs/dbraw/zinc/13/12/91/344131291.db2.gz AIRFWXZKLGJDIR-CYBMUJFWSA-N 1 2 247.298 1.243 40 0 BDABLO CCCC12CN3C[N@H+](CC(CC)(C3)[C@H]1O)C2 ZINC000036692425 347437357 /nfs/dbraw/zinc/43/73/57/347437357.db2.gz FQUHVUSZWVEWKW-PNESKVBLSA-N 1 2 224.348 1.133 40 0 BDABLO CCCC12CN3C[N@@H+](CC(CC)(C3)[C@H]1O)C2 ZINC000036692425 347437360 /nfs/dbraw/zinc/43/73/60/347437360.db2.gz FQUHVUSZWVEWKW-PNESKVBLSA-N 1 2 224.348 1.133 40 0 BDABLO C[N@H+](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000041392702 351028317 /nfs/dbraw/zinc/02/83/17/351028317.db2.gz RMIUXTCEJDDMHE-LBPRGKRZSA-N 1 2 239.340 1.306 40 0 BDABLO C[N@@H+](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000041392702 351028319 /nfs/dbraw/zinc/02/83/19/351028319.db2.gz RMIUXTCEJDDMHE-LBPRGKRZSA-N 1 2 239.340 1.306 40 0 BDABLO CC(=O)N[C@@H]([NH2+]C(C)C)C(=O)c1ccccc1 ZINC000026770682 188180147 /nfs/dbraw/zinc/18/01/47/188180147.db2.gz MPBIVTTULDRGDT-CYBMUJFWSA-N 1 2 234.299 1.330 40 0 BDABLO COc1c2c(cc3cc[nH+]cc31)OCO2 ZINC000013233298 368318700 /nfs/dbraw/zinc/31/87/00/368318700.db2.gz DYHYOYFSCMNDMX-UHFFFAOYSA-N 1 2 203.197 1.972 40 0 BDABLO OCc1cccc(Cc2c[nH]c[nH+]2)c1O ZINC000004674529 183167135 /nfs/dbraw/zinc/16/71/35/183167135.db2.gz PGVXBSSEVQUMQM-UHFFFAOYSA-N 1 2 204.229 1.198 40 0 in-man BDABLO c1ccc(Cn2nnnc2C[NH+]2CCCC2)cc1 ZINC000004230558 384046861 /nfs/dbraw/zinc/04/68/61/384046861.db2.gz DNLFRBLYHZRVSY-UHFFFAOYSA-N 1 2 243.314 1.317 40 0 BDABLO CC(=O)NCC[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000072369035 384214837 /nfs/dbraw/zinc/21/48/37/384214837.db2.gz NMUPGVVMFSILDA-GFCCVEGCSA-N 1 2 248.330 1.280 40 0 BDABLO Nc1c2[nH]c[nH+]c2ccc1Br ZINC000075629405 384332921 /nfs/dbraw/zinc/33/29/21/384332921.db2.gz DHUKVHRPLYJHAM-UHFFFAOYSA-N 1 2 212.050 1.908 40 0 BDABLO Nc1c2[nH+]c[nH]c2ccc1Br ZINC000075629405 384332924 /nfs/dbraw/zinc/33/29/24/384332924.db2.gz DHUKVHRPLYJHAM-UHFFFAOYSA-N 1 2 212.050 1.908 40 0 BDABLO COC(=[NH2+])Cc1cc(OC)cc(OC)c1 ZINC000016956252 384475517 /nfs/dbraw/zinc/47/55/17/384475517.db2.gz CPLWZAQJIPCZPX-UHFFFAOYSA-N 1 2 209.245 1.870 40 0 BDABLO COCCc1nc(Nc2ccccc2)cc(N)[nH+]1 ZINC000049467680 384535531 /nfs/dbraw/zinc/53/55/31/384535531.db2.gz QQJHMSNUSMKNPS-UHFFFAOYSA-N 1 2 244.298 1.991 40 0 BDABLO COCCc1nc(N)cc(Nc2ccccc2)[nH+]1 ZINC000049467680 384535536 /nfs/dbraw/zinc/53/55/36/384535536.db2.gz QQJHMSNUSMKNPS-UHFFFAOYSA-N 1 2 244.298 1.991 40 0 BDABLO Nc1cc(C(F)(F)F)c([C@H]2CNC(=O)C2)c[nH+]1 ZINC000199782118 384549275 /nfs/dbraw/zinc/54/92/75/384549275.db2.gz HDLCMNYECFXVAQ-RXMQYKEDSA-N 1 2 245.204 1.286 40 0 BDABLO Cn1nc(C[N@H+](C)CCC(F)(F)F)cc1N ZINC000408715382 384699633 /nfs/dbraw/zinc/69/96/33/384699633.db2.gz BCJPUWBULIZRAY-UHFFFAOYSA-N 1 2 236.241 1.387 40 0 BDABLO Cn1nc(C[N@@H+](C)CCC(F)(F)F)cc1N ZINC000408715382 384699636 /nfs/dbraw/zinc/69/96/36/384699636.db2.gz BCJPUWBULIZRAY-UHFFFAOYSA-N 1 2 236.241 1.387 40 0 BDABLO CCN(C)c1ccc([C@H]2CCCN2C=O)c[nH+]1 ZINC000072212704 385080418 /nfs/dbraw/zinc/08/04/18/385080418.db2.gz MOKRHXSMVFPYAQ-GFCCVEGCSA-N 1 2 233.315 1.831 40 0 BDABLO CCOc1ccc([C@@H]([NH3+])c2nnc[nH]2)cc1OC ZINC000095534271 385038949 /nfs/dbraw/zinc/03/89/49/385038949.db2.gz HKOCOCGWZWDISA-LLVKDONJSA-N 1 2 248.286 1.260 40 0 BDABLO CCOc1ccc([C@@H]([NH3+])c2nc[nH]n2)cc1OC ZINC000095534271 385038953 /nfs/dbraw/zinc/03/89/53/385038953.db2.gz HKOCOCGWZWDISA-LLVKDONJSA-N 1 2 248.286 1.260 40 0 BDABLO COc1cccc(NCc2nnc([C@@H](C)[NH3+])[nH]2)c1 ZINC000095534659 385046865 /nfs/dbraw/zinc/04/68/65/385046865.db2.gz UEIZWKPAZFDJEH-MRVPVSSYSA-N 1 2 247.302 1.445 40 0 BDABLO COc1cccc(NCc2nc([C@@H](C)[NH3+])n[nH]2)c1 ZINC000095534659 385046870 /nfs/dbraw/zinc/04/68/70/385046870.db2.gz UEIZWKPAZFDJEH-MRVPVSSYSA-N 1 2 247.302 1.445 40 0 BDABLO Cc1cc(N2CCOC[C@H]2c2cc[nH]n2)nc[nH+]1 ZINC000257238945 385754926 /nfs/dbraw/zinc/75/49/26/385754926.db2.gz HNFFHHYCAQPQAP-NSHDSACASA-N 1 2 245.286 1.086 40 0 BDABLO CNC(=O)[C@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257290755 385760962 /nfs/dbraw/zinc/76/09/62/385760962.db2.gz QEEUWTWTAVYQKJ-CYBMUJFWSA-N 1 2 248.330 1.138 40 0 BDABLO C/C(=C\c1ccccc1)C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000294706719 385886199 /nfs/dbraw/zinc/88/61/99/385886199.db2.gz BNWCQULBFZHYPC-YQCJOKCJSA-N 1 2 244.338 1.910 40 0 BDABLO C/C(=C\c1ccccc1)C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000294706719 385886203 /nfs/dbraw/zinc/88/62/03/385886203.db2.gz BNWCQULBFZHYPC-YQCJOKCJSA-N 1 2 244.338 1.910 40 0 BDABLO Cc1nn(C)cc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000123648270 387851176 /nfs/dbraw/zinc/85/11/76/387851176.db2.gz AXGJQXPGHZULJP-UHFFFAOYSA-N 1 2 247.346 1.796 40 0 BDABLO CC(C)(C)OC(=O)[C@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC000082308268 388641949 /nfs/dbraw/zinc/64/19/49/388641949.db2.gz YXZJRETWUVFEFX-NXEZZACHSA-N 1 2 243.347 1.874 40 0 BDABLO COCc1n[nH]c([C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533295 388776566 /nfs/dbraw/zinc/77/65/66/388776566.db2.gz NXSZYJBBXABQDN-JTQLQIEISA-N 1 2 236.250 1.138 40 0 BDABLO CC(C)(C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000168238268 134160679 /nfs/dbraw/zinc/16/06/79/134160679.db2.gz UXESPWHWVXPHPO-UHFFFAOYSA-N 1 2 222.288 1.938 40 0 BDABLO CC(C)COC(=O)C[C@H]([NH3+])C(=O)OCC(C)C ZINC000019203222 167021027 /nfs/dbraw/zinc/02/10/27/167021027.db2.gz VVKXLCBSWNDXIV-JTQLQIEISA-N 1 2 245.319 1.102 40 0 BDABLO CCn1ccc(C[NH2+]Cc2ccn(C(C)C)n2)n1 ZINC000256051425 172201760 /nfs/dbraw/zinc/20/17/60/172201760.db2.gz JCVPZULQHFUWAJ-UHFFFAOYSA-N 1 2 247.346 1.970 40 0 BDABLO C[NH+]1CCN(C(=O)C=C(O)c2ccccc2)CC1 ZINC000031628087 173063368 /nfs/dbraw/zinc/06/33/68/173063368.db2.gz CDKVGQYADQVLGU-UHFFFAOYSA-N 1 2 246.310 1.033 40 0 BDABLO C[N@H+]1Cc2ccnn2[C@@H](COc2ccccn2)C1 ZINC000248163628 173201407 /nfs/dbraw/zinc/20/14/07/173201407.db2.gz YWBBLSRCDPLXII-GFCCVEGCSA-N 1 2 244.298 1.344 40 0 BDABLO C[N@@H+]1Cc2ccnn2[C@@H](COc2ccccn2)C1 ZINC000248163628 173201409 /nfs/dbraw/zinc/20/14/09/173201409.db2.gz YWBBLSRCDPLXII-GFCCVEGCSA-N 1 2 244.298 1.344 40 0 BDABLO CCOC(=[NH2+])CS(=O)(=O)C(C)(C)C ZINC000228965978 520391099 /nfs/dbraw/zinc/39/10/99/520391099.db2.gz NVROCPRMQNJKAQ-UHFFFAOYSA-N 1 2 207.295 1.213 40 0 BDABLO OC[C@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000070453022 259313532 /nfs/dbraw/zinc/31/35/32/259313532.db2.gz MJRUMHSNKFLFLN-GFCCVEGCSA-N 1 2 225.263 1.191 40 0 BDABLO O=C(c1ccccc1)[C@H](O)n1cc[nH+]c1 ZINC000005606805 342767083 /nfs/dbraw/zinc/76/70/83/342767083.db2.gz WWULMBKBWNVCGO-NSHDSACASA-N 1 2 202.213 1.257 40 0 BDABLO CN1ONc2c1ccc1c2CC[N+](=O)N1 ZINC000363477694 344969817 /nfs/dbraw/zinc/96/98/17/344969817.db2.gz PBWXZKKNBONTQJ-UHFFFAOYSA-N 1 2 207.213 1.057 40 0 BDABLO Cc1nc2cc([C@@H]3CCC[NH2+]C3)[nH]n2c(=O)c1C ZINC000100227195 180085116 /nfs/dbraw/zinc/08/51/16/180085116.db2.gz KOWUAYFLIGESIZ-SNVBAGLBSA-N 1 2 246.314 1.519 40 0 BDABLO Cc1c[nH]nc1[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000072381913 180194341 /nfs/dbraw/zinc/19/43/41/180194341.db2.gz PLUGCRSZMRJHQI-LLVKDONJSA-N 1 2 243.314 1.810 40 0 BDABLO CC(=O)N1CCC[C@@H](c2cccc(N(C)C)[nH+]2)C1 ZINC000072357025 188131282 /nfs/dbraw/zinc/13/12/82/188131282.db2.gz ZLZWAVKEJJLXSD-GFCCVEGCSA-N 1 2 247.342 1.874 40 0 BDABLO O=C1CC[NH2+][C@H](c2ccc(Cl)cc2)N1 ZINC000211332753 358446377 /nfs/dbraw/zinc/44/63/77/358446377.db2.gz GIJQJKQIAQZTQF-JTQLQIEISA-N 1 2 210.664 1.448 40 0 BDABLO O=C(NC1CCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000257319057 182106599 /nfs/dbraw/zinc/10/65/99/182106599.db2.gz VQMJCMHGNLEPSZ-UHFFFAOYSA-N 1 2 242.282 1.550 40 0 BDABLO OCc1noc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000096085074 183172049 /nfs/dbraw/zinc/17/20/49/183172049.db2.gz TUWKOEAMRNYFNG-UHFFFAOYSA-N 1 2 245.282 1.120 40 0 BDABLO OCc1noc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000096085074 183172050 /nfs/dbraw/zinc/17/20/50/183172050.db2.gz TUWKOEAMRNYFNG-UHFFFAOYSA-N 1 2 245.282 1.120 40 0 BDABLO O=c1c2c([nH]n1C1CCCCC1)C[NH2+]CC2 ZINC000110751833 183255704 /nfs/dbraw/zinc/25/57/04/183255704.db2.gz MDNSBNNCQUIUEX-UHFFFAOYSA-N 1 2 221.304 1.740 40 0 BDABLO Cc1ccc([C@@H](C[NH3+])[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622867 383865314 /nfs/dbraw/zinc/86/53/14/383865314.db2.gz FSKYQMYLIYKANW-QWHCGFSZSA-N 1 2 248.326 1.401 40 0 BDABLO Cc1ccc([C@@H](C[NH3+])[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622867 383865324 /nfs/dbraw/zinc/86/53/24/383865324.db2.gz FSKYQMYLIYKANW-QWHCGFSZSA-N 1 2 248.326 1.401 40 0 BDABLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072357315 384213916 /nfs/dbraw/zinc/21/39/16/384213916.db2.gz UKINBVQQYCRLLB-NSHDSACASA-N 1 2 247.302 1.449 40 0 BDABLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072357315 384213921 /nfs/dbraw/zinc/21/39/21/384213921.db2.gz UKINBVQQYCRLLB-NSHDSACASA-N 1 2 247.302 1.449 40 0 BDABLO CC(C)(C)OC(=O)N1CC(F)(F)[C@@H]2[NH2+]C[C@H]21 ZINC000095630803 384385885 /nfs/dbraw/zinc/38/58/85/384385885.db2.gz XLTKDPRBZWJZEZ-RNFRBKRXSA-N 1 2 234.246 1.213 40 0 BDABLO COc1cccc(NCc2nnc([C@H](C)[NH3+])[nH]2)c1 ZINC000095534658 385047566 /nfs/dbraw/zinc/04/75/66/385047566.db2.gz UEIZWKPAZFDJEH-QMMMGPOBSA-N 1 2 247.302 1.445 40 0 BDABLO COc1cccc(NCc2nc([C@H](C)[NH3+])n[nH]2)c1 ZINC000095534658 385047571 /nfs/dbraw/zinc/04/75/71/385047571.db2.gz UEIZWKPAZFDJEH-QMMMGPOBSA-N 1 2 247.302 1.445 40 0 BDABLO c1cc([C@@H]2CC[N@H+](Cc3cccnc3)C2)[nH]n1 ZINC000072187655 385043738 /nfs/dbraw/zinc/04/37/38/385043738.db2.gz KWZYSLMHJALBIR-GFCCVEGCSA-N 1 2 228.299 1.794 40 0 BDABLO CC[C@@H](O)c1c[nH+]c(N2CCOCC2)cc1C ZINC000072223552 385112162 /nfs/dbraw/zinc/11/21/62/385112162.db2.gz DVULAWJQATUCFH-GFCCVEGCSA-N 1 2 236.315 1.670 40 0 BDABLO Cc1cc(N2CCOC[C@@H]2c2cc[nH]n2)nc[nH+]1 ZINC000257238944 385755234 /nfs/dbraw/zinc/75/52/34/385755234.db2.gz HNFFHHYCAQPQAP-LLVKDONJSA-N 1 2 245.286 1.086 40 0 BDABLO CCCn1cccc1C[NH+]1CCOCC1 ZINC000225309546 386184205 /nfs/dbraw/zinc/18/42/05/386184205.db2.gz CLIHHXDDCCAOCQ-UHFFFAOYSA-N 1 2 208.305 1.730 40 0 BDABLO FCCn1ccc(C[NH2+]Cc2ccco2)n1 ZINC000256055168 387862217 /nfs/dbraw/zinc/86/22/17/387862217.db2.gz ZNDUEVLIQMTZCW-UHFFFAOYSA-N 1 2 223.251 1.735 40 0 BDABLO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C ZINC000083292056 388653611 /nfs/dbraw/zinc/65/36/11/388653611.db2.gz LRPADWCAFMWGIW-ZDUSSCGKSA-N 1 2 246.310 1.862 40 0 BDABLO OC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439162 388695714 /nfs/dbraw/zinc/69/57/14/388695714.db2.gz HQECTHFQODGPCN-SNVBAGLBSA-N 1 2 248.330 1.260 40 0 BDABLO OC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439162 388695717 /nfs/dbraw/zinc/69/57/17/388695717.db2.gz HQECTHFQODGPCN-SNVBAGLBSA-N 1 2 248.330 1.260 40 0 BDABLO C[C@@H]([NH3+])c1nc(-c2cccc(O)c2)n[nH]1 ZINC000095534645 388777219 /nfs/dbraw/zinc/77/72/19/388777219.db2.gz KNMZJDKVONFTSX-ZCFIWIBFSA-N 1 2 204.233 1.197 40 0 BDABLO Cc1cc(N2CCOCC2)c(C)cc1[NH3+] ZINC000022122004 132332430 /nfs/dbraw/zinc/33/24/30/132332430.db2.gz KBWMZRZUJNIZDY-UHFFFAOYSA-N 1 2 206.289 1.722 40 0 BDABLO Clc1nccc(N2CCn3c[nH+]cc3C2)n1 ZINC000038579594 132346442 /nfs/dbraw/zinc/34/64/42/132346442.db2.gz IWRBBTMKZZMMCL-UHFFFAOYSA-N 1 2 235.678 1.347 40 0 BDABLO CNC(=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072348348 132396367 /nfs/dbraw/zinc/39/63/67/132396367.db2.gz NJLMNGZXUVWHOJ-UHFFFAOYSA-N 1 2 233.315 1.434 40 0 BDABLO CCn1nccc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256050221 172271259 /nfs/dbraw/zinc/27/12/59/172271259.db2.gz DFIWLKOWMGBNHN-UHFFFAOYSA-N 1 2 247.346 1.970 40 0 BDABLO CN(C)C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038832649 172389554 /nfs/dbraw/zinc/38/95/54/172389554.db2.gz OKHNBIRTBCCFNY-UHFFFAOYSA-N 1 2 248.326 1.221 40 0 BDABLO COCCN1CNc2[nH+]c3ccccc3n2C1 ZINC000005981668 174317433 /nfs/dbraw/zinc/31/74/33/174317433.db2.gz XURQYLKNWZBQQE-UHFFFAOYSA-N 1 2 232.287 1.325 40 0 BDABLO COc1ccc2ncn(C[NH+]3CCOCC3)c2c1 ZINC000073634236 175229923 /nfs/dbraw/zinc/22/99/23/175229923.db2.gz FNVSDEROUIPYHF-UHFFFAOYSA-N 1 2 247.298 1.335 40 0 BDABLO COc1cccc(C(=O)C[NH+]2CCCC2)c1 ZINC000031773329 175242075 /nfs/dbraw/zinc/24/20/75/175242075.db2.gz HOVOJGBUQKZIEQ-UHFFFAOYSA-N 1 2 219.284 1.974 40 0 BDABLO CNc1cc(CNc2ncnc(C)c2F)cc[nH+]1 ZINC001548453598 990764328 /nfs/dbraw/zinc/76/43/28/990764328.db2.gz UZURBRBSRIWART-UHFFFAOYSA-N 1 2 247.277 1.973 40 0 BDABLO CC[C@@H]1C(=O)OCC1Cc1c[nH+]cn1C ZINC001560406193 991469513 /nfs/dbraw/zinc/46/95/13/991469513.db2.gz NTESUSBDJZDZAN-JTQLQIEISA-N 1 2 207.253 1.120 40 0 BDABLO Cc1cc(C[NH2+]Cc2ccn(C(C)C)n2)n(C)n1 ZINC000256053145 178025895 /nfs/dbraw/zinc/02/58/95/178025895.db2.gz QFGFCZQZGXSRJY-UHFFFAOYSA-N 1 2 247.346 1.796 40 0 BDABLO Cc1noc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072381857 178116341 /nfs/dbraw/zinc/11/63/41/178116341.db2.gz HZYBTDZMSAHIRA-JTQLQIEISA-N 1 2 245.286 1.818 40 0 BDABLO OC[C@H](c1ccccc1Cl)[NH+]1CCOCC1 ZINC000070452952 259313471 /nfs/dbraw/zinc/31/34/71/259313471.db2.gz ZAWINDFXRYSXCL-GFCCVEGCSA-N 1 2 241.718 1.706 40 0 BDABLO Cc1c(N)c[nH+]c(N)c1Br ZINC000019943181 342963861 /nfs/dbraw/zinc/96/38/61/342963861.db2.gz CNIHYCVCMNQBAV-UHFFFAOYSA-N 1 2 202.055 1.317 40 0 BDABLO Nc1cccc(C2=N[C@H]3C=C(N)C=CC3=[NH+]2)c1 ZINC000584906578 343716805 /nfs/dbraw/zinc/71/68/05/343716805.db2.gz DDPDGKJOGZMCAM-LBPRGKRZSA-N 1 2 224.267 1.251 40 0 BDABLO OCc1c[nH+]cn1Cc1c(F)cccc1F ZINC000409422169 343812927 /nfs/dbraw/zinc/81/29/27/343812927.db2.gz CGTOBDOSTCVQMV-UHFFFAOYSA-N 1 2 224.210 1.702 40 0 BDABLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccoc1 ZINC000585096691 344131264 /nfs/dbraw/zinc/13/12/64/344131264.db2.gz AIRFWXZKLGJDIR-ZDUSSCGKSA-N 1 2 247.298 1.243 40 0 BDABLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccoc1 ZINC000585096691 344131266 /nfs/dbraw/zinc/13/12/66/344131266.db2.gz AIRFWXZKLGJDIR-ZDUSSCGKSA-N 1 2 247.298 1.243 40 0 BDABLO CO[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000585105295 344134312 /nfs/dbraw/zinc/13/43/12/344134312.db2.gz SMGJANXLEBUBFZ-ZDUSSCGKSA-N 1 2 248.326 1.461 40 0 BDABLO Cc1[nH+]c[nH]c1CN1CCOC[C@@H]1c1cc[nH]n1 ZINC000257216478 180120515 /nfs/dbraw/zinc/12/05/15/180120515.db2.gz CUQUSYPIENVKDD-GFCCVEGCSA-N 1 2 247.302 1.015 40 0 BDABLO CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000072381526 188131772 /nfs/dbraw/zinc/13/17/72/188131772.db2.gz ZBOJPFCOQQWBIF-NSHDSACASA-N 1 2 221.304 1.221 40 0 BDABLO C=C=C(CC)[C@@H](C(=O)OC)[NH+](CC)CC ZINC000073352449 188131861 /nfs/dbraw/zinc/13/18/61/188131861.db2.gz RMRHIPATFGYXCI-NSHDSACASA-N 1 2 211.305 1.991 40 0 BDABLO Cn1ccc(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000020349086 357339327 /nfs/dbraw/zinc/33/93/27/357339327.db2.gz QCFQCIWVZRSRSX-UHFFFAOYSA-N 1 2 237.253 1.988 40 0 BDABLO Cc1cc([C@@H]2CCCN2C=O)c[nH+]c1N(C)C ZINC000072218607 259529172 /nfs/dbraw/zinc/52/91/72/259529172.db2.gz WTHHWSCVNBTQRR-LBPRGKRZSA-N 1 2 233.315 1.749 40 0 BDABLO C[C@](O)(c1ccc[nH+]c1N)C(F)(F)F ZINC000256052420 370636713 /nfs/dbraw/zinc/63/67/13/370636713.db2.gz NEZGOTFPFFFGNB-ZETCQYMHSA-N 1 2 206.167 1.434 40 0 BDABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1ccncn1 ZINC000072357323 384212820 /nfs/dbraw/zinc/21/28/20/384212820.db2.gz DEOKCSOYCYIXEP-GFCCVEGCSA-N 1 2 243.314 1.547 40 0 BDABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccncn1 ZINC000072357323 384212829 /nfs/dbraw/zinc/21/28/29/384212829.db2.gz DEOKCSOYCYIXEP-GFCCVEGCSA-N 1 2 243.314 1.547 40 0 BDABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1ccncn1 ZINC000072357323 384212835 /nfs/dbraw/zinc/21/28/35/384212835.db2.gz DEOKCSOYCYIXEP-GFCCVEGCSA-N 1 2 243.314 1.547 40 0 BDABLO c1c[nH+]c(CN2CCO[C@@H](c3ccccn3)C2)[nH]1 ZINC000072382071 384219922 /nfs/dbraw/zinc/21/99/22/384219922.db2.gz BNMROOXUNPGCKG-GFCCVEGCSA-N 1 2 244.298 1.378 40 0 BDABLO O=C1N[C@H]2CCCC[N@@H+]2Cc2sccc21 ZINC000024527455 384822157 /nfs/dbraw/zinc/82/21/57/384822157.db2.gz RBGJSZRYEYJGFI-SNVBAGLBSA-N 1 2 222.313 1.804 40 0 BDABLO O=C1N[C@H]2CCCC[N@H+]2Cc2sccc21 ZINC000024527455 384822165 /nfs/dbraw/zinc/82/21/65/384822165.db2.gz RBGJSZRYEYJGFI-SNVBAGLBSA-N 1 2 222.313 1.804 40 0 BDABLO CC(=O)N1CCCC[C@H]1c1ccc(N)[nH+]c1 ZINC000072212395 385076375 /nfs/dbraw/zinc/07/63/75/385076375.db2.gz VCUUFQAMGXXVLS-NSHDSACASA-N 1 2 219.288 1.737 40 0 BDABLO CC(C)C(=O)c1cc2c([nH+]c1N)CCC2 ZINC000095098413 385492985 /nfs/dbraw/zinc/49/29/85/385492985.db2.gz IKHYUJZCZQKZNN-UHFFFAOYSA-N 1 2 204.273 1.991 40 0 BDABLO Cc1cncc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257288707 385760041 /nfs/dbraw/zinc/76/00/41/385760041.db2.gz PVGFIIIZNUJULW-LBPRGKRZSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1ccc2c(c1)[C@]1(CO2)COCC[NH2+]1 ZINC000306145776 385994979 /nfs/dbraw/zinc/99/49/79/385994979.db2.gz PTLRHVPAZQAHCU-GFCCVEGCSA-N 1 2 205.257 1.203 40 0 BDABLO CO[C@@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000247830423 386735470 /nfs/dbraw/zinc/73/54/70/386735470.db2.gz HLHPYJGJBGTTLB-ZDUSSCGKSA-N 1 2 247.298 1.507 40 0 BDABLO CO[C@@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000247830423 386735477 /nfs/dbraw/zinc/73/54/77/386735477.db2.gz HLHPYJGJBGTTLB-ZDUSSCGKSA-N 1 2 247.298 1.507 40 0 BDABLO C[NH2+]c1ccc(N2CCOCC2)c(C)c1 ZINC000220201249 132290864 /nfs/dbraw/zinc/29/08/64/132290864.db2.gz QAYBLPRKRQOGKI-UHFFFAOYSA-N 1 2 206.289 1.873 40 0 BDABLO Clc1cc(N2CCn3c[nH+]cc3C2)ncn1 ZINC000038579884 132295667 /nfs/dbraw/zinc/29/56/67/132295667.db2.gz WNAAIOGDRQRGFV-UHFFFAOYSA-N 1 2 235.678 1.347 40 0 BDABLO CCNC(=O)c1cc(N)ccc1[NH+]1CCCC1 ZINC000225485308 170100361 /nfs/dbraw/zinc/10/03/61/170100361.db2.gz MYJXSIWMOPYEEX-UHFFFAOYSA-N 1 2 233.315 1.619 40 0 BDABLO CCOC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC000005114844 170298186 /nfs/dbraw/zinc/29/81/86/170298186.db2.gz ZCHQDHMYPQXPQL-UHFFFAOYSA-N 1 2 205.217 1.322 40 0 BDABLO CCn1ccc(C[NH2+]Cc2ccco2)n1 ZINC000020351126 172201473 /nfs/dbraw/zinc/20/14/73/172201473.db2.gz QTIHLPXSMBJDEQ-UHFFFAOYSA-N 1 2 205.261 1.786 40 0 BDABLO CCn1ncc(C)c1C[NH2+]Cc1ccn(C)n1 ZINC000256052018 172253586 /nfs/dbraw/zinc/25/35/86/172253586.db2.gz LOCVXDQGHIYCEG-UHFFFAOYSA-N 1 2 233.319 1.235 40 0 BDABLO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000019695509 172366625 /nfs/dbraw/zinc/36/66/25/172366625.db2.gz XVQQEJNCLSGDDS-NSHDSACASA-N 1 2 236.319 1.025 40 0 BDABLO CN(C)C(=O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000019695509 172366627 /nfs/dbraw/zinc/36/66/27/172366627.db2.gz XVQQEJNCLSGDDS-NSHDSACASA-N 1 2 236.319 1.025 40 0 BDABLO CN(C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072212609 172561636 /nfs/dbraw/zinc/56/16/36/172561636.db2.gz ZXHWMZRWVKAFGG-LLVKDONJSA-N 1 2 205.305 1.962 40 0 BDABLO C[C@@H]1CN2C[C@H](c3ccccn3)[NH+]=C2S1 ZINC000222555672 176323891 /nfs/dbraw/zinc/32/38/91/176323891.db2.gz COZOJRKRZATEGP-PSASIEDQSA-N 1 2 219.313 1.930 40 0 BDABLO CC(C)[N@H+](CC(=O)[O-])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000248095020 519637954 /nfs/dbraw/zinc/63/79/54/519637954.db2.gz ZANVSWOMLJAJEM-NEPJUHHUSA-N 1 2 242.363 1.654 40 0 BDABLO CC(C)[N@@H+](CC(=O)[O-])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000248095020 519637956 /nfs/dbraw/zinc/63/79/56/519637956.db2.gz ZANVSWOMLJAJEM-NEPJUHHUSA-N 1 2 242.363 1.654 40 0 BDABLO Cc1ccnc(C2CN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072381865 178112103 /nfs/dbraw/zinc/11/21/03/178112103.db2.gz DGZOLMDTHZEFAZ-UHFFFAOYSA-N 1 2 241.298 1.487 40 0 BDABLO Cc1cc2[nH+]c(N)cn2cc1Br ZINC000077254369 178301711 /nfs/dbraw/zinc/30/17/11/178301711.db2.gz UETPUFWPKIBKET-UHFFFAOYSA-N 1 2 226.077 1.987 40 0 BDABLO Cc1ccc(-c2cc[nH+]c(NN)n2)cc1 ZINC000049474291 178328061 /nfs/dbraw/zinc/32/80/61/178328061.db2.gz VWDLHEIVNHFYAK-UHFFFAOYSA-N 1 2 200.245 1.738 40 0 BDABLO OC[C@@H](c1ccccc1F)[NH+]1CCOCC1 ZINC000070452929 259313475 /nfs/dbraw/zinc/31/34/75/259313475.db2.gz AKWOYAPQBPNVLI-LBPRGKRZSA-N 1 2 225.263 1.191 40 0 BDABLO C[NH+](C)[C@@H](CO)c1c(F)cccc1F ZINC000070452994 259313547 /nfs/dbraw/zinc/31/35/47/259313547.db2.gz JIRIBMJWIBYWCS-VIFPVBQESA-N 1 2 201.216 1.560 40 0 BDABLO CC[C@](C)(C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123509 350084531 /nfs/dbraw/zinc/08/45/31/350084531.db2.gz IUOXSJDTMHVUNH-JFGNBEQYSA-N 1 2 229.320 1.437 40 0 BDABLO CC[C@](C)(C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123509 350084532 /nfs/dbraw/zinc/08/45/32/350084532.db2.gz IUOXSJDTMHVUNH-JFGNBEQYSA-N 1 2 229.320 1.437 40 0 BDABLO CC(C)[C@@H]([NH3+])c1nnc([C@@H]2CCCO2)[nH]1 ZINC000095534779 188146596 /nfs/dbraw/zinc/14/65/96/188146596.db2.gz FBOLPPDWEIHMRR-JGVFFNPUSA-N 1 2 210.281 1.312 40 0 BDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CC3CC3)C2)[nH+]1 ZINC000205694819 368358684 /nfs/dbraw/zinc/35/86/84/368358684.db2.gz QLFPFMAVWBWLTM-LLVKDONJSA-N 1 2 233.315 1.834 40 0 BDABLO OC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000247802021 183125439 /nfs/dbraw/zinc/12/54/39/183125439.db2.gz GIYOOAXVAPDOTN-IHRRRGAJSA-N 1 2 248.326 1.053 40 0 BDABLO OC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000247802021 183125442 /nfs/dbraw/zinc/12/54/42/183125442.db2.gz GIYOOAXVAPDOTN-IHRRRGAJSA-N 1 2 248.326 1.053 40 0 BDABLO O=c1c2c([nH]n1C1CCCC1)CC[NH2+]C2 ZINC000110752021 183254861 /nfs/dbraw/zinc/25/48/61/183254861.db2.gz KMCLVGKHJLQQDX-UHFFFAOYSA-N 1 2 207.277 1.350 40 0 BDABLO COC(=O)Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000076209584 384114918 /nfs/dbraw/zinc/11/49/18/384114918.db2.gz WZUREQSQWDWVNM-UHFFFAOYSA-N 1 2 204.229 1.587 40 0 BDABLO COC(=O)Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000076209584 384114926 /nfs/dbraw/zinc/11/49/26/384114926.db2.gz WZUREQSQWDWVNM-UHFFFAOYSA-N 1 2 204.229 1.587 40 0 BDABLO Cc1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000072357314 384213805 /nfs/dbraw/zinc/21/38/05/384213805.db2.gz LQJLNIANDVHJMO-GFCCVEGCSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000072357314 384213812 /nfs/dbraw/zinc/21/38/12/384213812.db2.gz LQJLNIANDVHJMO-GFCCVEGCSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1cn[nH]c1[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000072357314 384213819 /nfs/dbraw/zinc/21/38/19/384213819.db2.gz LQJLNIANDVHJMO-GFCCVEGCSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1cn[nH]c1[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000072357314 384213824 /nfs/dbraw/zinc/21/38/24/384213824.db2.gz LQJLNIANDVHJMO-GFCCVEGCSA-N 1 2 245.330 1.789 40 0 BDABLO CC(C)(C)OC(=O)N1CC(F)(F)[C@H]2[NH2+]C[C@H]21 ZINC000095630802 384385787 /nfs/dbraw/zinc/38/57/87/384385787.db2.gz XLTKDPRBZWJZEZ-RQJHMYQMSA-N 1 2 234.246 1.213 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccco1 ZINC000096057755 384430861 /nfs/dbraw/zinc/43/08/61/384430861.db2.gz UUJJTNLYYLPPOZ-YNEHKIRRSA-N 1 2 237.299 1.658 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccco1 ZINC000096057755 384430866 /nfs/dbraw/zinc/43/08/66/384430866.db2.gz UUJJTNLYYLPPOZ-YNEHKIRRSA-N 1 2 237.299 1.658 40 0 BDABLO O=Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000019094235 384510576 /nfs/dbraw/zinc/51/05/76/384510576.db2.gz QCVBRBJRYISOFD-UHFFFAOYSA-N 1 2 216.240 1.775 40 0 BDABLO Cc1ccc([C@@]23CCC(=O)N2CCC[NH2+]3)cc1 ZINC000019947318 384559866 /nfs/dbraw/zinc/55/98/66/384559866.db2.gz DPSRYRXQCPOXJJ-CQSZACIVSA-N 1 2 230.311 1.764 40 0 BDABLO Nc1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072212393 385074914 /nfs/dbraw/zinc/07/49/14/385074914.db2.gz ZEWAGGHBXLRWDF-SNVBAGLBSA-N 1 2 205.261 1.347 40 0 BDABLO CN(C)c1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072212629 385078440 /nfs/dbraw/zinc/07/84/40/385078440.db2.gz LODPICLHMTWZRG-GFCCVEGCSA-N 1 2 233.315 1.831 40 0 BDABLO CCC(=O)c1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222557 385109221 /nfs/dbraw/zinc/10/92/21/385109221.db2.gz FENMGCANLLFETP-UHFFFAOYSA-N 1 2 247.342 1.735 40 0 BDABLO CNc1[nH+]cc([C@@H]2CCCN2C=O)cc1C ZINC000072218967 385104136 /nfs/dbraw/zinc/10/41/36/385104136.db2.gz RYQXTUCLEKPGFT-NSHDSACASA-N 1 2 219.288 1.725 40 0 BDABLO COC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000024547663 385509576 /nfs/dbraw/zinc/50/95/76/385509576.db2.gz PHRXFKVGAMBQJN-UHFFFAOYSA-N 1 2 206.201 1.311 40 0 BDABLO Cc1ccc2c(c1)[C@@]1(CO2)COCC[NH2+]1 ZINC000306145777 385995044 /nfs/dbraw/zinc/99/50/44/385995044.db2.gz PTLRHVPAZQAHCU-LBPRGKRZSA-N 1 2 205.257 1.203 40 0 BDABLO Cc1ccc(C(C)(C)[NH2+]Cc2cn(C)nn2)cn1 ZINC000330827214 386898779 /nfs/dbraw/zinc/89/87/79/386898779.db2.gz RYRKSJHPVJPGES-UHFFFAOYSA-N 1 2 245.330 1.543 40 0 BDABLO C(C[NH+]1CCCC1)c1n[nH]c(C2CC2)n1 ZINC000062719446 388656531 /nfs/dbraw/zinc/65/65/31/388656531.db2.gz JZYDCXNKQXBZBX-UHFFFAOYSA-N 1 2 206.293 1.320 40 0 BDABLO CC(C)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305257 167053432 /nfs/dbraw/zinc/05/34/32/167053432.db2.gz LMHLKLJYGYMUNF-UHFFFAOYSA-N 1 2 218.300 1.527 40 0 BDABLO Cc1nc(N)cc(Cc2ccccc2F)[nH+]1 ZINC000575621967 409998505 /nfs/dbraw/zinc/99/85/05/409998505.db2.gz FZEPUVZSNDXJAD-UHFFFAOYSA-N 1 2 217.247 2.097 40 0 BDABLO CCNc1[nH+]cnc2c1cnn2[C@H]1CCCO1 ZINC000001681840 170178493 /nfs/dbraw/zinc/17/84/93/170178493.db2.gz HWUQZPKRYYDUIA-SECBINFHSA-N 1 2 233.275 1.567 40 0 BDABLO CCc1[nH]c2ccc(CC(=O)OC)cc2[nH+]1 ZINC000217758275 172010301 /nfs/dbraw/zinc/01/03/01/172010301.db2.gz OBOUPLLDQFBBHQ-UHFFFAOYSA-N 1 2 218.256 1.841 40 0 BDABLO CCc1[nH]c2cc(CC(=O)OC)ccc2[nH+]1 ZINC000217758275 172010303 /nfs/dbraw/zinc/01/03/03/172010303.db2.gz OBOUPLLDQFBBHQ-UHFFFAOYSA-N 1 2 218.256 1.841 40 0 BDABLO CCn1ccc(C[NH2+]Cc2cnn(C(C)C)c2)n1 ZINC000256049466 172201085 /nfs/dbraw/zinc/20/10/85/172201085.db2.gz ABCSDTRWANCKPR-UHFFFAOYSA-N 1 2 247.346 1.970 40 0 BDABLO CN1c2ccc(O)cc2[C@@]2(C)CC[N@@H+](C)[C@H]12 ZINC000057211628 173165830 /nfs/dbraw/zinc/16/58/30/173165830.db2.gz HKGWQUVGHPDEBZ-CHWSQXEVSA-N 1 2 218.300 1.761 40 0 in-vitro BDABLO CN1c2ccc(O)cc2[C@@]2(C)CC[N@H+](C)[C@H]12 ZINC000057211628 173165831 /nfs/dbraw/zinc/16/58/31/173165831.db2.gz HKGWQUVGHPDEBZ-CHWSQXEVSA-N 1 2 218.300 1.761 40 0 in-vitro BDABLO COCCNC(=S)Nc1cc[nH+]cc1 ZINC000013837248 174330069 /nfs/dbraw/zinc/33/00/69/174330069.db2.gz JJXXIYXDVSTHSH-UHFFFAOYSA-N 1 2 211.290 1.014 40 0 BDABLO COc1cccc(-c2n[nH]c([C@@H](C)[NH3+])n2)c1 ZINC000061843965 175236612 /nfs/dbraw/zinc/23/66/12/175236612.db2.gz JUDRZEHOURQZJC-SSDOTTSWSA-N 1 2 218.260 1.500 40 0 BDABLO Nc1cccc([C@H](O)c2ccccc2)[nH+]1 ZINC000039957269 527520551 /nfs/dbraw/zinc/52/05/51/527520551.db2.gz LPEAAFIPULFKJD-GFCCVEGCSA-N 1 2 200.241 1.746 40 0 BDABLO Cc1cc([C@H]2CCNC(=O)C2)[nH+]c(C)c1N ZINC000199780686 178268405 /nfs/dbraw/zinc/26/84/05/178268405.db2.gz XBOLSUSKAKRKIQ-VIFPVBQESA-N 1 2 219.288 1.274 40 0 BDABLO OC[C@H](c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000070452821 259312862 /nfs/dbraw/zinc/31/28/62/259312862.db2.gz QABDAOKJDVWGMM-GFCCVEGCSA-N 1 2 241.718 1.706 40 0 BDABLO CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000090459619 344269451 /nfs/dbraw/zinc/26/94/51/344269451.db2.gz JYFJCYPPWYOCEC-NSHDSACASA-N 1 2 204.273 1.179 40 0 BDABLO CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000090459619 344269453 /nfs/dbraw/zinc/26/94/53/344269453.db2.gz JYFJCYPPWYOCEC-NSHDSACASA-N 1 2 204.273 1.179 40 0 BDABLO CCC[C@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000022538751 350113157 /nfs/dbraw/zinc/11/31/57/350113157.db2.gz LKSZPKHNCRYZMP-ZJUUUORDSA-N 1 2 215.293 1.097 40 0 BDABLO Cc1[nH+]c[nH]c1CN1CCOC[C@H]1c1cc[nH]n1 ZINC000257216479 180119405 /nfs/dbraw/zinc/11/94/05/180119405.db2.gz CUQUSYPIENVKDD-LBPRGKRZSA-N 1 2 247.302 1.015 40 0 BDABLO CC(C)(C)c1c[nH]c([C@@H]2COCC[NH2+]2)n1 ZINC000077262311 188117087 /nfs/dbraw/zinc/11/70/87/188117087.db2.gz YLXKLHICWIQKRB-QMMMGPOBSA-N 1 2 209.293 1.368 40 0 biogenic,in-vitro BDABLO CC(=O)NCC[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000072369036 188131937 /nfs/dbraw/zinc/13/19/37/188131937.db2.gz NMUPGVVMFSILDA-LBPRGKRZSA-N 1 2 248.330 1.280 40 0 BDABLO CNc1[nH+]cnc2c1cnn2[C@H]1CCCO1 ZINC000001681836 188159638 /nfs/dbraw/zinc/15/96/38/188159638.db2.gz VPKXEJQTMOXUTR-MRVPVSSYSA-N 1 2 219.248 1.177 40 0 BDABLO Cc1cc([C@@H](C)O)c[nH+]c1N1CCOCC1 ZINC000072222507 259531807 /nfs/dbraw/zinc/53/18/07/259531807.db2.gz VXDJWAYYNCRNOA-SNVBAGLBSA-N 1 2 222.288 1.280 40 0 BDABLO OC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000095147649 183030370 /nfs/dbraw/zinc/03/03/70/183030370.db2.gz KPRKORRAKBPQJI-UHFFFAOYSA-N 1 2 232.736 1.753 40 0 BDABLO O=c1cc2c(n[nH]1)C[N@H+](Cc1ccccc1)C2 ZINC000072221098 183263044 /nfs/dbraw/zinc/26/30/44/183263044.db2.gz HOJRLYJRAQKDLL-UHFFFAOYSA-N 1 2 227.267 1.698 40 0 BDABLO O=c1cc2c(n[nH]1)C[N@@H+](Cc1ccccc1)C2 ZINC000072221098 183263047 /nfs/dbraw/zinc/26/30/47/183263047.db2.gz HOJRLYJRAQKDLL-UHFFFAOYSA-N 1 2 227.267 1.698 40 0 BDABLO c1cnc(C[N@@H+]2CCC[C@@H]2c2ccncn2)cn1 ZINC000257342011 183363143 /nfs/dbraw/zinc/36/31/43/183363143.db2.gz ZMSGLZUGYQWCLI-CYBMUJFWSA-N 1 2 241.298 1.604 40 0 BDABLO c1cnc(C[N@H+]2CCC[C@@H]2c2ccncn2)cn1 ZINC000257342011 183363144 /nfs/dbraw/zinc/36/31/44/183363144.db2.gz ZMSGLZUGYQWCLI-CYBMUJFWSA-N 1 2 241.298 1.604 40 0 BDABLO c1cc([C@@H]2CC[N@@H+](Cc3cncs3)C2)[nH]n1 ZINC000257321220 183362144 /nfs/dbraw/zinc/36/21/44/183362144.db2.gz WAQIENMUJIUMLC-SECBINFHSA-N 1 2 234.328 1.856 40 0 BDABLO c1cc([C@@H]2CC[N@H+](Cc3cncs3)C2)[nH]n1 ZINC000257321220 183362148 /nfs/dbraw/zinc/36/21/48/183362148.db2.gz WAQIENMUJIUMLC-SECBINFHSA-N 1 2 234.328 1.856 40 0 BDABLO C[NH+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000001736523 383932997 /nfs/dbraw/zinc/93/29/97/383932997.db2.gz WWZUCJCODPRZCL-UHFFFAOYSA-N 1 2 247.747 1.675 40 0 BDABLO Cc1noc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072357316 384214248 /nfs/dbraw/zinc/21/42/48/384214248.db2.gz UKINBVQQYCRLLB-LLVKDONJSA-N 1 2 247.302 1.449 40 0 BDABLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072357316 384214256 /nfs/dbraw/zinc/21/42/56/384214256.db2.gz UKINBVQQYCRLLB-LLVKDONJSA-N 1 2 247.302 1.449 40 0 BDABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1cnccn1 ZINC000072357333 384214487 /nfs/dbraw/zinc/21/44/87/384214487.db2.gz DCLOYVMNVXOVLT-GFCCVEGCSA-N 1 2 243.314 1.547 40 0 BDABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000072381899 384217497 /nfs/dbraw/zinc/21/74/97/384217497.db2.gz BKYKJHFHQNOBFK-GFCCVEGCSA-N 1 2 231.303 1.480 40 0 BDABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000072381899 384217502 /nfs/dbraw/zinc/21/75/02/384217502.db2.gz BKYKJHFHQNOBFK-GFCCVEGCSA-N 1 2 231.303 1.480 40 0 BDABLO c1coc(CNC[NH2+]Cc2ccco2)c1 ZINC000019319423 384515147 /nfs/dbraw/zinc/51/51/47/384515147.db2.gz XESTXDITLJHREJ-UHFFFAOYSA-N 1 2 206.245 1.710 40 0 BDABLO O=C1N[C@H](Cn2cc[nH+]c2)COc2ccccc21 ZINC000019374615 384518917 /nfs/dbraw/zinc/51/89/17/384518917.db2.gz CVZCLORFGJGOQQ-SNVBAGLBSA-N 1 2 243.266 1.074 40 0 BDABLO C[C@@H](Cc1ccccn1)NC(=O)Cn1cc[nH+]c1 ZINC000019457066 384524741 /nfs/dbraw/zinc/52/47/41/384524741.db2.gz UDTZTZYPOINYKC-NSHDSACASA-N 1 2 244.298 1.026 40 0 BDABLO CC(=O)N1CCCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000072212394 385075872 /nfs/dbraw/zinc/07/58/72/385075872.db2.gz VCUUFQAMGXXVLS-LLVKDONJSA-N 1 2 219.288 1.737 40 0 BDABLO CCOc1cc([C@H]([NH3+])c2nnc[nH]2)ccc1OC ZINC000095534414 385042523 /nfs/dbraw/zinc/04/25/23/385042523.db2.gz IEQJWUSZJFJABV-NSHDSACASA-N 1 2 248.286 1.260 40 0 BDABLO CCOc1cc([C@@H]([NH3+])c2nnc[nH]2)ccc1OC ZINC000095534415 385043829 /nfs/dbraw/zinc/04/38/29/385043829.db2.gz IEQJWUSZJFJABV-LLVKDONJSA-N 1 2 248.286 1.260 40 0 BDABLO Cc1c[nH]c([C@@H]2CCCN2c2ncccn2)[nH+]1 ZINC000257203325 385752410 /nfs/dbraw/zinc/75/24/10/385752410.db2.gz APNRESQAPQQTGX-JTQLQIEISA-N 1 2 229.287 1.850 40 0 BDABLO Cc1c[nH]c([C@H]2CCCN2c2ncccn2)[nH+]1 ZINC000257203326 385753759 /nfs/dbraw/zinc/75/37/59/385753759.db2.gz APNRESQAPQQTGX-SNVBAGLBSA-N 1 2 229.287 1.850 40 0 BDABLO COCc1n[nH]c([C@H]([NH3+])c2ccc(C)cc2)n1 ZINC000095534129 388776581 /nfs/dbraw/zinc/77/65/81/388776581.db2.gz VKTVFZMKHXZNHY-LLVKDONJSA-N 1 2 232.287 1.308 40 0 BDABLO C[C@@H]([NH3+])c1nnc(CNc2ccccc2)[nH]1 ZINC000095534649 388780122 /nfs/dbraw/zinc/78/01/22/388780122.db2.gz RAZSVJMFTQVRHB-MRVPVSSYSA-N 1 2 217.276 1.437 40 0 BDABLO C[C@@H]([NH3+])c1n[nH]c(CNc2ccccc2)n1 ZINC000095534649 388780130 /nfs/dbraw/zinc/78/01/30/388780130.db2.gz RAZSVJMFTQVRHB-MRVPVSSYSA-N 1 2 217.276 1.437 40 0 BDABLO CC(C)(C)CC(C)(C)OC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000064219317 166554664 /nfs/dbraw/zinc/55/46/64/166554664.db2.gz WJWZAVFUZDCFEF-NXEZZACHSA-N 1 2 243.347 1.467 40 0 BDABLO CCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000002048477 170279075 /nfs/dbraw/zinc/27/90/75/170279075.db2.gz FTMOCNFKSDIFQK-NSHDSACASA-N 1 2 207.273 1.852 40 0 BDABLO CC[C@H](C)[N@@H+]1Cc2[nH]nc(C(=O)N(C)C)c2C1 ZINC000096187508 171320333 /nfs/dbraw/zinc/32/03/33/171320333.db2.gz PACWFAYQRNNDBF-QMMMGPOBSA-N 1 2 236.319 1.226 40 0 BDABLO CC[C@H](C)[N@H+]1Cc2[nH]nc(C(=O)N(C)C)c2C1 ZINC000096187508 171320335 /nfs/dbraw/zinc/32/03/35/171320335.db2.gz PACWFAYQRNNDBF-QMMMGPOBSA-N 1 2 236.319 1.226 40 0 BDABLO C[N@@H+]1CCC[C@H]1c1[nH]nc2c1C(=O)CCC2 ZINC000096515792 173058228 /nfs/dbraw/zinc/05/82/28/173058228.db2.gz KYVUSLKQRMAHBZ-VIFPVBQESA-N 1 2 219.288 1.695 40 0 BDABLO C[N@H+]1CCC[C@H]1c1[nH]nc2c1C(=O)CCC2 ZINC000096515792 173058230 /nfs/dbraw/zinc/05/82/30/173058230.db2.gz KYVUSLKQRMAHBZ-VIFPVBQESA-N 1 2 219.288 1.695 40 0 BDABLO C[N@@H+]1CCC[C@H]1c1n[nH]c2c1C(=O)CCC2 ZINC000096515792 173058231 /nfs/dbraw/zinc/05/82/31/173058231.db2.gz KYVUSLKQRMAHBZ-VIFPVBQESA-N 1 2 219.288 1.695 40 0 BDABLO C[N@H+]1CCC[C@H]1c1n[nH]c2c1C(=O)CCC2 ZINC000096515792 173058232 /nfs/dbraw/zinc/05/82/32/173058232.db2.gz KYVUSLKQRMAHBZ-VIFPVBQESA-N 1 2 219.288 1.695 40 0 BDABLO C[NH+]1CCN(Cc2ccc(C=O)cc2F)CC1 ZINC000095738663 173087051 /nfs/dbraw/zinc/08/70/51/173087051.db2.gz UKJAOLGWSWDSHF-UHFFFAOYSA-N 1 2 236.290 1.386 40 0 BDABLO C[N@@H+]1CCc2[nH]c(=O)c(Br)cc2C1 ZINC000096510599 173166720 /nfs/dbraw/zinc/16/67/20/173166720.db2.gz ZUOFDGLQBZOEGL-UHFFFAOYSA-N 1 2 243.104 1.125 40 0 BDABLO C[N@H+]1CCc2[nH]c(=O)c(Br)cc2C1 ZINC000096510599 173166721 /nfs/dbraw/zinc/16/67/21/173166721.db2.gz ZUOFDGLQBZOEGL-UHFFFAOYSA-N 1 2 243.104 1.125 40 0 BDABLO CNc1nc(NC(C)C)cc(-c2ccccc2)[nH+]1 ZINC000329053353 173208659 /nfs/dbraw/zinc/20/86/59/173208659.db2.gz VFZKSAUYEBTADW-UHFFFAOYSA-N 1 2 242.326 1.849 40 0 BDABLO COc1ccc(-c2c[nH]c(C)[nH+]2)cc1N ZINC000222557707 175030213 /nfs/dbraw/zinc/03/02/13/175030213.db2.gz ASLHHISPAJHCON-UHFFFAOYSA-N 1 2 203.245 1.976 40 0 BDABLO COc1ccc(NCc2nnc([C@@H](C)[NH3+])[nH]2)cc1 ZINC000095534651 175153302 /nfs/dbraw/zinc/15/33/02/175153302.db2.gz OAUBLJIYEDLJST-MRVPVSSYSA-N 1 2 247.302 1.445 40 0 BDABLO COc1ccc(NCc2nc([C@@H](C)[NH3+])n[nH]2)cc1 ZINC000095534651 175153304 /nfs/dbraw/zinc/15/33/04/175153304.db2.gz OAUBLJIYEDLJST-MRVPVSSYSA-N 1 2 247.302 1.445 40 0 BDABLO COc1ccccc1[C@H]1C[N@H+](C)CCN1C(C)=O ZINC000257280911 175355344 /nfs/dbraw/zinc/35/53/44/175355344.db2.gz OMXOKCLTFYSLMR-CYBMUJFWSA-N 1 2 248.326 1.530 40 0 BDABLO COc1ccccc1[C@H]1C[N@@H+](C)CCN1C(C)=O ZINC000257280911 175355345 /nfs/dbraw/zinc/35/53/45/175355345.db2.gz OMXOKCLTFYSLMR-CYBMUJFWSA-N 1 2 248.326 1.530 40 0 BDABLO C[C@@H]1CN2C[C@@H](c3ccccn3)[NH+]=C2S1 ZINC000222555553 176324553 /nfs/dbraw/zinc/32/45/53/176324553.db2.gz COZOJRKRZATEGP-SCZZXKLOSA-N 1 2 219.313 1.930 40 0 BDABLO Cc1cc(CNc2cccc[nH+]2)n(C)n1 ZINC000072226660 178044890 /nfs/dbraw/zinc/04/48/90/178044890.db2.gz DSZNNDLPISETKD-UHFFFAOYSA-N 1 2 202.261 1.736 40 0 BDABLO CN(C)c1[nH+]cccc1[C@@H]1CCCN1C=O ZINC000072212643 259317699 /nfs/dbraw/zinc/31/76/99/259317699.db2.gz CZZQBGKJMKRJSP-NSHDSACASA-N 1 2 219.288 1.441 40 0 BDABLO Cn1c2ccccc2[nH+]c1N1CCC(O)CC1 ZINC000043220320 342790841 /nfs/dbraw/zinc/79/08/41/342790841.db2.gz CFCCHFGHIXUNQN-UHFFFAOYSA-N 1 2 231.299 1.534 40 0 BDABLO CSC1=NNC(C(C)(C)C)C(N)=[NH+]1 ZINC000016322732 342909742 /nfs/dbraw/zinc/90/97/42/342909742.db2.gz QYYFCOCBNXIWKE-SSDOTTSWSA-N 1 2 200.311 1.862 40 0 BDABLO CC(C)(C)C(=O)OC/C=C\C[NH+]1CCOCC1 ZINC000031947085 343226297 /nfs/dbraw/zinc/22/62/97/343226297.db2.gz SQOZQOOQRSZVRT-PLNGDYQASA-N 1 2 241.331 1.464 40 0 BDABLO O=C(CC[NH+]1CCOCC1)c1ccccc1O ZINC000033872441 343262078 /nfs/dbraw/zinc/26/20/78/343262078.db2.gz IFCMPBPUODFUNU-UHFFFAOYSA-N 1 2 235.283 1.297 40 0 in-man BDABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccco3)C2)C1 ZINC000585105382 344134524 /nfs/dbraw/zinc/13/45/24/344134524.db2.gz VRCOIFKANVKCJQ-LLVKDONJSA-N 1 2 237.299 1.659 40 0 BDABLO C[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000033961949 345957032 /nfs/dbraw/zinc/95/70/32/345957032.db2.gz OSNIIMCBVLBNGS-MRVPVSSYSA-N 1 2 221.256 1.548 40 0 in-vitro BDABLO CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123228 350084090 /nfs/dbraw/zinc/08/40/90/350084090.db2.gz KKMJLMSDDAULKG-AEJSXWLSSA-N 1 2 215.293 1.047 40 0 BDABLO CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123228 350084092 /nfs/dbraw/zinc/08/40/92/350084092.db2.gz KKMJLMSDDAULKG-AEJSXWLSSA-N 1 2 215.293 1.047 40 0 BDABLO Cc1[nH+]cc([C@](C)(O)c2ccccc2)n1C ZINC000005504217 180176144 /nfs/dbraw/zinc/17/61/44/180176144.db2.gz WIDOCNQZJWHXAL-CYBMUJFWSA-N 1 2 216.284 1.984 40 0 BDABLO Cc1cc(N2CCOCC2)[nH+]c2c(N)cccc12 ZINC000258340481 538784262 /nfs/dbraw/zinc/78/42/62/538784262.db2.gz TUYNOHPHKLOZQZ-UHFFFAOYSA-N 1 2 243.310 1.962 40 0 BDABLO O[C@H]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000100174054 183203165 /nfs/dbraw/zinc/20/31/65/183203165.db2.gz LMLCZFZNGVNUFS-PHIMTYICSA-N 1 2 248.330 1.766 40 0 BDABLO O[C@H]1CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000100174054 183203169 /nfs/dbraw/zinc/20/31/69/183203169.db2.gz LMLCZFZNGVNUFS-PHIMTYICSA-N 1 2 248.330 1.766 40 0 BDABLO COc1ccc([C@@]23CCC(=O)N2CCC[NH2+]3)cc1 ZINC000035572380 383863726 /nfs/dbraw/zinc/86/37/26/383863726.db2.gz GXSGJOLMGFVYKO-CQSZACIVSA-N 1 2 246.310 1.464 40 0 BDABLO CC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068575865 384000121 /nfs/dbraw/zinc/00/01/21/384000121.db2.gz HYFNBIVNYJGFJD-ZDUSSCGKSA-N 1 2 219.284 1.476 40 0 BDABLO CC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068575865 384000129 /nfs/dbraw/zinc/00/01/29/384000129.db2.gz HYFNBIVNYJGFJD-ZDUSSCGKSA-N 1 2 219.284 1.476 40 0 BDABLO CCC[C@H](C(=O)OC)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000036128014 384238077 /nfs/dbraw/zinc/23/80/77/384238077.db2.gz UYPJBOGWTMBELU-GMTAPVOTSA-N 1 2 229.320 1.437 40 0 BDABLO CNc1[nH+]cccc1[C@H]1CCCN1C=O ZINC000072212524 385077066 /nfs/dbraw/zinc/07/70/66/385077066.db2.gz FHSHWGXNNHVZDQ-SNVBAGLBSA-N 1 2 205.261 1.417 40 0 BDABLO CCN(C)c1[nH+]cccc1[C@H]1CCCN1C=O ZINC000072212764 385079671 /nfs/dbraw/zinc/07/96/71/385079671.db2.gz DHYAKNDOKGULQB-GFCCVEGCSA-N 1 2 233.315 1.831 40 0 BDABLO CC[C@@H](O)c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC000072222510 385111440 /nfs/dbraw/zinc/11/14/40/385111440.db2.gz FULYKKSROITQOQ-GFCCVEGCSA-N 1 2 236.315 1.670 40 0 BDABLO Cc1cc(N2CCOCC2)[nH+]cc1[C@H](C)O ZINC000072223550 385112510 /nfs/dbraw/zinc/11/25/10/385112510.db2.gz CKUJEAFGHKVNFU-JTQLQIEISA-N 1 2 222.288 1.280 40 0 BDABLO Nc1ccc([C@H](O)c2ccccc2)c[nH+]1 ZINC000072225127 385122521 /nfs/dbraw/zinc/12/25/21/385122521.db2.gz SMQCUKIZNUUDJL-GFCCVEGCSA-N 1 2 200.241 1.746 40 0 BDABLO Cc1c[nH+]c([C@@H]2CCN(c3ncccn3)C2)[nH]1 ZINC000257322077 385763543 /nfs/dbraw/zinc/76/35/43/385763543.db2.gz WEMPQGXGZMXSQN-SNVBAGLBSA-N 1 2 229.287 1.502 40 0 BDABLO Fc1ccc2c(c1)OC[C@@]21COCC[NH2+]1 ZINC000306145853 385994655 /nfs/dbraw/zinc/99/46/55/385994655.db2.gz SKBDQDYPZBUFEA-NSHDSACASA-N 1 2 209.220 1.033 40 0 BDABLO Cc1ccc2c(c1)OC[C@]21COCC[NH2+]1 ZINC000306145323 385992066 /nfs/dbraw/zinc/99/20/66/385992066.db2.gz BMACEIKMICHOHG-GFCCVEGCSA-N 1 2 205.257 1.203 40 0 BDABLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000091691656 386312779 /nfs/dbraw/zinc/31/27/79/386312779.db2.gz HPLLEDNQVOZKFU-CYBMUJFWSA-N 1 2 249.310 1.451 40 0 BDABLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000091691656 386312783 /nfs/dbraw/zinc/31/27/83/386312783.db2.gz HPLLEDNQVOZKFU-CYBMUJFWSA-N 1 2 249.310 1.451 40 0 BDABLO Cn1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256055117 387863340 /nfs/dbraw/zinc/86/33/40/387863340.db2.gz ZGZNPNULFCXILD-UHFFFAOYSA-N 1 2 241.245 1.302 40 0 BDABLO C[C@H]([NH3+])c1nnc(CNc2ccccc2)[nH]1 ZINC000095534648 388780065 /nfs/dbraw/zinc/78/00/65/388780065.db2.gz RAZSVJMFTQVRHB-QMMMGPOBSA-N 1 2 217.276 1.437 40 0 BDABLO C[C@H]([NH3+])c1n[nH]c(CNc2ccccc2)n1 ZINC000095534648 388780069 /nfs/dbraw/zinc/78/00/69/388780069.db2.gz RAZSVJMFTQVRHB-QMMMGPOBSA-N 1 2 217.276 1.437 40 0 BDABLO CC(C)COC(=O)C[C@@H]([NH3+])C(=O)OCC(C)C ZINC000019203220 167020797 /nfs/dbraw/zinc/02/07/97/167020797.db2.gz VVKXLCBSWNDXIV-SNVBAGLBSA-N 1 2 245.319 1.102 40 0 BDABLO CC[C@H](O)c1ccc(N2CCOCC2)[nH+]c1 ZINC000072225489 322908916 /nfs/dbraw/zinc/90/89/16/322908916.db2.gz VQBSAHUSSCWHKU-NSHDSACASA-N 1 2 222.288 1.362 40 0 BDABLO CC(C)NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000096198820 167070343 /nfs/dbraw/zinc/07/03/43/167070343.db2.gz XGSZEHRAOKUGDM-UHFFFAOYSA-N 1 2 248.330 1.451 40 0 BDABLO CC1=C[C@@H](O)Nc2[nH+]c3ccccc3n21 ZINC000096372330 168125143 /nfs/dbraw/zinc/12/51/43/168125143.db2.gz DVUJWYXJPMBNLZ-SNVBAGLBSA-N 1 2 201.229 1.641 40 0 BDABLO Cc1[nH]n(-c2ccccc2)c(=O)c1C[NH+](C)C ZINC000104877485 168135531 /nfs/dbraw/zinc/13/55/31/168135531.db2.gz QNYNDQFPMPQKMZ-GFCCVEGCSA-N 1 2 231.299 1.587 40 0 BDABLO CCNc1cc(-c2ccncc2)[nH+]c(NCC)n1 ZINC000328982066 170041511 /nfs/dbraw/zinc/04/15/11/170041511.db2.gz GXTCEOSOFUONIK-UHFFFAOYSA-N 1 2 243.314 1.246 40 0 BDABLO CCOC(=O)C(F)(F)[C@@H]([NH3+])c1ccncc1 ZINC000199566774 170188485 /nfs/dbraw/zinc/18/84/85/170188485.db2.gz JTGOCCRNARPXKZ-QMMMGPOBSA-N 1 2 230.214 1.280 40 0 BDABLO CCOC(=O)[C@@]12CC(=[NH2+])O[C@H]1CCCC2 ZINC000012417544 170286368 /nfs/dbraw/zinc/28/63/68/170286368.db2.gz RADYGQVBHWUQQT-KWQFWETISA-N 1 2 211.261 1.876 40 0 BDABLO C[NH+](C)[C@]12CS(=O)(=O)[C@@H]1CCCCC2 ZINC000001869766 172531542 /nfs/dbraw/zinc/53/15/42/172531542.db2.gz ZUVUSIRWYKLPBE-NXEZZACHSA-N 1 2 217.334 1.048 40 0 BDABLO CNc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000328977898 173208363 /nfs/dbraw/zinc/20/83/63/173208363.db2.gz FWULIQQTWSJWEW-UHFFFAOYSA-N 1 2 242.326 1.849 40 0 BDABLO COc1ccccc1[C@@H]1C[N@H+](C)CCN1C(C)=O ZINC000257280912 175348534 /nfs/dbraw/zinc/34/85/34/175348534.db2.gz OMXOKCLTFYSLMR-ZDUSSCGKSA-N 1 2 248.326 1.530 40 0 BDABLO COc1ccccc1[C@@H]1C[N@@H+](C)CCN1C(C)=O ZINC000257280912 175348536 /nfs/dbraw/zinc/34/85/36/175348536.db2.gz OMXOKCLTFYSLMR-ZDUSSCGKSA-N 1 2 248.326 1.530 40 0 BDABLO C[C@@H](c1nccs1)[N@H+](CCO)C1CC1 ZINC000079436089 176039315 /nfs/dbraw/zinc/03/93/15/176039315.db2.gz DPDAHPFTWLGWBK-QMMMGPOBSA-N 1 2 212.318 1.661 40 0 BDABLO C[C@@H](c1nccs1)[N@@H+](CCO)C1CC1 ZINC000079436089 176039316 /nfs/dbraw/zinc/03/93/16/176039316.db2.gz DPDAHPFTWLGWBK-QMMMGPOBSA-N 1 2 212.318 1.661 40 0 BDABLO Cc1cc(N2CC(c3ccncn3)C2)nc[nH+]1 ZINC000072381864 178112177 /nfs/dbraw/zinc/11/21/77/178112177.db2.gz WRQAGUYPOFCTMJ-UHFFFAOYSA-N 1 2 227.271 1.179 40 0 BDABLO Cc1cccc(Nc2cc(N)nc(N)[nH+]2)c1 ZINC000001681655 179159429 /nfs/dbraw/zinc/15/94/29/179159429.db2.gz GIKOZAZQNPUGKO-UHFFFAOYSA-N 1 2 215.260 1.693 40 0 BDABLO Cc1cccc(Nc2cc(N)[nH+]c(N)n2)c1 ZINC000001681655 179159432 /nfs/dbraw/zinc/15/94/32/179159432.db2.gz GIKOZAZQNPUGKO-UHFFFAOYSA-N 1 2 215.260 1.693 40 0 BDABLO CC(C)[N@H+](CCO)Cc1nccnc1Cl ZINC000079422288 188117887 /nfs/dbraw/zinc/11/78/87/188117887.db2.gz GVWQNDSIFILNSH-UHFFFAOYSA-N 1 2 229.711 1.333 40 0 BDABLO CC(C)[N@@H+](CCO)Cc1nccnc1Cl ZINC000079422288 188117888 /nfs/dbraw/zinc/11/78/88/188117888.db2.gz GVWQNDSIFILNSH-UHFFFAOYSA-N 1 2 229.711 1.333 40 0 BDABLO Cc1c(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cnn1C ZINC000257221829 188193468 /nfs/dbraw/zinc/19/34/68/188193468.db2.gz DQROFHAHKJIRAF-ZDUSSCGKSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1c(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cnn1C ZINC000257221829 188193470 /nfs/dbraw/zinc/19/34/70/188193470.db2.gz DQROFHAHKJIRAF-ZDUSSCGKSA-N 1 2 245.330 1.789 40 0 BDABLO CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379316 188180130 /nfs/dbraw/zinc/18/01/30/188180130.db2.gz IXFLEYAVUQUPCA-VMPITWQZSA-N 1 2 244.338 1.864 40 0 BDABLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccn(C)n1 ZINC000256053732 188192858 /nfs/dbraw/zinc/19/28/58/188192858.db2.gz SPSOSYAEQHMBOR-UHFFFAOYSA-N 1 2 247.346 1.796 40 0 BDABLO C[NH+]1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000247722695 188192930 /nfs/dbraw/zinc/19/29/30/188192930.db2.gz BUZNFEWKPGTWLT-NSHDSACASA-N 1 2 234.299 1.324 40 0 BDABLO Cc1nc([C@H]2COCC[N@@H+]2CC2CC2)cc(=O)[nH]1 ZINC000257277052 191320859 /nfs/dbraw/zinc/32/08/59/191320859.db2.gz NWGLGGJFDVGDLE-GFCCVEGCSA-N 1 2 249.314 1.274 40 0 BDABLO Cc1nc([C@H]2COCC[N@H+]2CC2CC2)cc(=O)[nH]1 ZINC000257277052 191320862 /nfs/dbraw/zinc/32/08/62/191320862.db2.gz NWGLGGJFDVGDLE-GFCCVEGCSA-N 1 2 249.314 1.274 40 0 BDABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000205683311 368356447 /nfs/dbraw/zinc/35/64/47/368356447.db2.gz JIXGWHVDNYLSKG-GFCCVEGCSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000205683311 368356452 /nfs/dbraw/zinc/35/64/52/368356452.db2.gz JIXGWHVDNYLSKG-GFCCVEGCSA-N 1 2 245.330 1.789 40 0 BDABLO OCC[N@H+](Cc1nccnc1Cl)C1CC1 ZINC000079422292 183073299 /nfs/dbraw/zinc/07/32/99/183073299.db2.gz YBFPSKPVIXSBHS-UHFFFAOYSA-N 1 2 227.695 1.087 40 0 BDABLO OCC[N@@H+](Cc1nccnc1Cl)C1CC1 ZINC000079422292 183073302 /nfs/dbraw/zinc/07/33/02/183073302.db2.gz YBFPSKPVIXSBHS-UHFFFAOYSA-N 1 2 227.695 1.087 40 0 BDABLO O[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000040434237 183194597 /nfs/dbraw/zinc/19/45/97/183194597.db2.gz WMVYMNKGHLAHQK-SSDOTTSWSA-N 1 2 232.736 1.753 40 0 BDABLO O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000040434237 183194598 /nfs/dbraw/zinc/19/45/98/183194598.db2.gz WMVYMNKGHLAHQK-SSDOTTSWSA-N 1 2 232.736 1.753 40 0 BDABLO Oc1ccc(Cl)cc1C1=[NH+]CCCN1 ZINC000005567825 183272886 /nfs/dbraw/zinc/27/28/86/183272886.db2.gz TVNHAKHEVSRGFE-UHFFFAOYSA-N 1 2 210.664 1.786 40 0 BDABLO S=C(NCc1ccccn1)Nc1cc[nH+]cc1 ZINC000225178374 183311034 /nfs/dbraw/zinc/31/10/34/183311034.db2.gz YEAZSMHNZFSCEF-UHFFFAOYSA-N 1 2 244.323 1.963 40 0 BDABLO c1nncn1-c1ccc([NH+]2CCCC2)cc1 ZINC000226276080 183335448 /nfs/dbraw/zinc/33/54/48/183335448.db2.gz SZJWVNKUHXJKAE-UHFFFAOYSA-N 1 2 214.272 1.868 40 0 BDABLO CCC[C@@H](C(=O)OC)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022538701 169346478 /nfs/dbraw/zinc/34/64/78/169346478.db2.gz UYPJBOGWTMBELU-DCAQKATOSA-N 1 2 229.320 1.437 40 0 BDABLO CC[C@@H](C)n1ncc2c1nc[nH+]c2N(C)C ZINC000001679220 383920336 /nfs/dbraw/zinc/92/03/36/383920336.db2.gz VQAYSIOAZNZKRE-MRVPVSSYSA-N 1 2 219.292 1.863 40 0 BDABLO CC[NH+]1CCN(c2nccnc2Cl)CC1 ZINC000043537463 384194589 /nfs/dbraw/zinc/19/45/89/384194589.db2.gz NAJCEEQSWXOYJF-UHFFFAOYSA-N 1 2 226.711 1.272 40 0 BDABLO Cc1cc(=O)cc([C@H]2C[N@H+](C(C)C)CCO2)[nH]1 ZINC000072356981 384210528 /nfs/dbraw/zinc/21/05/28/384210528.db2.gz BVRFAIHUNVDXBR-CYBMUJFWSA-N 1 2 236.315 1.465 40 0 BDABLO Cc1cc(=O)cc([C@H]2C[N@@H+](C(C)C)CCO2)[nH]1 ZINC000072356981 384210532 /nfs/dbraw/zinc/21/05/32/384210532.db2.gz BVRFAIHUNVDXBR-CYBMUJFWSA-N 1 2 236.315 1.465 40 0 BDABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1cnccn1 ZINC000072357334 384215076 /nfs/dbraw/zinc/21/50/76/384215076.db2.gz DCLOYVMNVXOVLT-LBPRGKRZSA-N 1 2 243.314 1.547 40 0 BDABLO Cn1c(CCC[NH3+])[nH+]c2cc(C(=O)[O-])ccc21 ZINC000075845735 384342381 /nfs/dbraw/zinc/34/23/81/384342381.db2.gz DCROJYGWHVKYPY-UHFFFAOYSA-N 1 2 233.271 1.163 40 0 BDABLO C[C@@H]([NH3+])c1nnc(COc2ccccc2)[nH]1 ZINC000061843881 384383129 /nfs/dbraw/zinc/38/31/29/384383129.db2.gz OWNNAIWHGTUQHC-MRVPVSSYSA-N 1 2 218.260 1.403 40 0 BDABLO Nc1nc[nH+]c(Nc2ccccc2)c1N ZINC000001677594 384434835 /nfs/dbraw/zinc/43/48/35/384434835.db2.gz DXEAIYPURXPWIP-UHFFFAOYSA-N 1 2 201.233 1.385 40 0 BDABLO Nc1[nH+]cnc(Nc2ccccc2)c1N ZINC000001677594 384434837 /nfs/dbraw/zinc/43/48/37/384434837.db2.gz DXEAIYPURXPWIP-UHFFFAOYSA-N 1 2 201.233 1.385 40 0 BDABLO CN(C)c1ccc([C@H]2CCCN2C=O)c[nH+]1 ZINC000072212584 385076478 /nfs/dbraw/zinc/07/64/78/385076478.db2.gz OFSFTDDDEPTZQK-LLVKDONJSA-N 1 2 219.288 1.441 40 0 BDABLO CC(C)[C@@H]([NH3+])c1nnc([C@H]2CCCO2)[nH]1 ZINC000095534781 385047288 /nfs/dbraw/zinc/04/72/88/385047288.db2.gz FBOLPPDWEIHMRR-HTQZYQBOSA-N 1 2 210.281 1.312 40 0 BDABLO c1ccc2c(c1)OC[C@H](C[NH+]1CCOCC1)O2 ZINC000031880693 385108348 /nfs/dbraw/zinc/10/83/48/385108348.db2.gz IFHNHXVGQVKTTI-NSHDSACASA-N 1 2 235.283 1.159 40 0 BDABLO NNc1[nH+]ccnc1N1CCCCCC1 ZINC000096530658 385284104 /nfs/dbraw/zinc/28/41/04/385284104.db2.gz LRTNIPGEDVYDPD-UHFFFAOYSA-N 1 2 207.281 1.143 40 0 BDABLO CNC(=O)c1cc(N)ccc1[NH+]1CCCCC1 ZINC000225485415 386198596 /nfs/dbraw/zinc/19/85/96/386198596.db2.gz AHXAHRKSVSWUQV-UHFFFAOYSA-N 1 2 233.315 1.619 40 0 BDABLO CNc1ccc([NH+]2CCCC2)c(C(N)=O)c1 ZINC000226279547 387340310 /nfs/dbraw/zinc/34/03/10/387340310.db2.gz JZYCYHWPKORXOU-UHFFFAOYSA-N 1 2 219.288 1.427 40 0 BDABLO CC(C)c1nc(CC[NH+]2CCCC2)n[nH]1 ZINC000062719452 388656435 /nfs/dbraw/zinc/65/64/35/388656435.db2.gz ORNSDRSBCDEZHI-UHFFFAOYSA-N 1 2 208.309 1.566 40 0 BDABLO CCOC(=O)[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000049822999 170276361 /nfs/dbraw/zinc/27/63/61/170276361.db2.gz BZDYTLZSKRPSHV-SECBINFHSA-N 1 2 229.663 1.609 40 0 BDABLO Cc1ccc(Nc2c(N)nc(N)[nH+]c2N)cc1C ZINC000001694016 411977192 /nfs/dbraw/zinc/97/71/92/411977192.db2.gz APLGNGNKBLAWOZ-UHFFFAOYSA-N 1 2 244.302 1.584 40 0 BDABLO CCn1ncc(C[NH2+]Cc2ccn(C)n2)c1F ZINC000256052656 172255391 /nfs/dbraw/zinc/25/53/91/172255391.db2.gz OEHWVTLWEDDUIX-UHFFFAOYSA-N 1 2 237.282 1.065 40 0 BDABLO CN(C)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000096060923 172377717 /nfs/dbraw/zinc/37/77/17/172377717.db2.gz UCUZPGYDQSJWRJ-UHFFFAOYSA-N 1 2 234.303 1.015 40 0 BDABLO CN1CC[NH+](Cc2ccccc2C=O)CC1 ZINC000075844168 173086997 /nfs/dbraw/zinc/08/69/97/173086997.db2.gz LMERFIDNODZXKP-UHFFFAOYSA-N 1 2 218.300 1.247 40 0 BDABLO C[N@@H+]1CC[C@@](C)(c2ccccc2)C(=O)C1 ZINC000005698922 173135851 /nfs/dbraw/zinc/13/58/51/173135851.db2.gz HNXXSKFSFOMTOI-ZDUSSCGKSA-N 1 2 203.285 1.849 40 0 BDABLO C[N@H+]1CC[C@@](C)(c2ccccc2)C(=O)C1 ZINC000005698922 173135853 /nfs/dbraw/zinc/13/58/53/173135853.db2.gz HNXXSKFSFOMTOI-ZDUSSCGKSA-N 1 2 203.285 1.849 40 0 BDABLO CNc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000329042565 173208989 /nfs/dbraw/zinc/20/89/89/173208989.db2.gz SNWXWOITFGSMOE-UHFFFAOYSA-N 1 2 240.310 1.983 40 0 BDABLO C[C@H](OC(C)(C)C)[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000033763891 177020068 /nfs/dbraw/zinc/02/00/68/177020068.db2.gz PPDIUNOGUIAFLV-IUCAKERBSA-N 1 2 231.336 1.859 40 0 BDABLO Cc1c(Br)c[nH+]c(N)c1O ZINC000021981852 177556418 /nfs/dbraw/zinc/55/64/18/177556418.db2.gz IADRQUVGZIXGPY-UHFFFAOYSA-N 1 2 203.039 1.440 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2ccn(CC)n2)n1 ZINC000020349816 521655846 /nfs/dbraw/zinc/65/58/46/521655846.db2.gz RPHLBTIJUSWJNF-UHFFFAOYSA-N 1 2 247.346 1.799 40 0 BDABLO Cc1cc([C@@H](CCO)C[C@@H](C)O)cc[nH+]1 ZINC000008701049 178234568 /nfs/dbraw/zinc/23/45/68/178234568.db2.gz LIFCAEGXHCVVOE-PWSUYJOCSA-N 1 2 209.289 1.627 40 0 BDABLO Cc1cc([C@H](CCO)C[C@@H](C)O)cc[nH+]1 ZINC000008701050 178260709 /nfs/dbraw/zinc/26/07/09/178260709.db2.gz LIFCAEGXHCVVOE-ZYHUDNBSSA-N 1 2 209.289 1.627 40 0 BDABLO OC[C@@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000070453023 259313439 /nfs/dbraw/zinc/31/34/39/259313439.db2.gz MJRUMHSNKFLFLN-LBPRGKRZSA-N 1 2 225.263 1.191 40 0 BDABLO O=CN1CCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213766 259317949 /nfs/dbraw/zinc/31/79/49/259317949.db2.gz CSYGEFLLWIRFNU-GFCCVEGCSA-N 1 2 231.299 1.949 40 0 BDABLO C[NH+](C)[C@]12CS(=O)(=O)[C@H]1CCCCCC2 ZINC000005573250 342766258 /nfs/dbraw/zinc/76/62/58/342766258.db2.gz MFTJTAYYWXUIPR-WDEREUQCSA-N 1 2 231.361 1.438 40 0 BDABLO COCc1ccc(C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000019594476 342952003 /nfs/dbraw/zinc/95/20/03/342952003.db2.gz BKSAXIUVIXTHFI-UHFFFAOYSA-N 1 2 235.243 1.079 40 0 BDABLO O=C(C1CC1)N1CC[C@]2(CCn3cc[nH+]c32)C1 ZINC000306124123 538042689 /nfs/dbraw/zinc/04/26/89/538042689.db2.gz BGSMDVFNUSYMQH-CYBMUJFWSA-N 1 2 231.299 1.167 40 0 BDABLO Cc1nc2cc([C@H]3CC[NH2+]C3)[nH]n2c(=O)c1C ZINC000100228931 180087824 /nfs/dbraw/zinc/08/78/24/180087824.db2.gz CYHNMCKJDDZQRV-VIFPVBQESA-N 1 2 232.287 1.129 40 0 BDABLO Cc1c[nH]nc1[C@H]1COCCN1Cc1c[nH+]c[nH]1 ZINC000257298378 188193751 /nfs/dbraw/zinc/19/37/51/188193751.db2.gz RLKBEXXUVVIRHG-LLVKDONJSA-N 1 2 247.302 1.015 40 0 BDABLO Cc1c[nH]nc1[C@H]1COCCN1Cc1c[nH]c[nH+]1 ZINC000257298378 188193752 /nfs/dbraw/zinc/19/37/52/188193752.db2.gz RLKBEXXUVVIRHG-LLVKDONJSA-N 1 2 247.302 1.015 40 0 BDABLO Nc1nc(N)[nH+]c(C23CC4CC(CC(C4)C2)C3)n1 ZINC000000023808 359614277 /nfs/dbraw/zinc/61/42/77/359614277.db2.gz SJKPFXJLDBQXRP-UHFFFAOYSA-N 1 2 245.330 1.504 40 0 BDABLO COC(=O)[C@]1([NH3+])C[C@H]1c1c[nH]c2ccccc21 ZINC000218160194 372071253 /nfs/dbraw/zinc/07/12/53/372071253.db2.gz ZPFJLVMSVXBDKW-GWCFXTLKSA-N 1 2 230.267 1.526 40 0 BDABLO O=c1c2cccc3cccc(c4n1CC[NH+]=4)c32 ZINC000055120991 182986993 /nfs/dbraw/zinc/98/69/93/182986993.db2.gz STDWUOBRBVGWCK-UHFFFAOYSA-N 1 2 222.247 1.507 40 0 BDABLO Oc1cccc(C[NH2+]Cc2ccn(CCF)n2)c1 ZINC000256053561 183290907 /nfs/dbraw/zinc/29/09/07/183290907.db2.gz RYGVMODVIMFDDU-UHFFFAOYSA-N 1 2 249.289 1.848 40 0 BDABLO c1cnc(Nc2nccc([C@H]3CC[NH2+]C3)n2)nc1 ZINC000072354553 383836375 /nfs/dbraw/zinc/83/63/75/383836375.db2.gz NNGLQWJWTICHTA-VIFPVBQESA-N 1 2 242.286 1.087 40 0 BDABLO Nc1cc(N2CCC[C@H]2c2cnccn2)[nH+]cn1 ZINC000072357411 384215133 /nfs/dbraw/zinc/21/51/33/384215133.db2.gz HBDRSCDNYUOKNY-JTQLQIEISA-N 1 2 242.286 1.190 40 0 BDABLO Cc1ccnc(C2CN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072381918 384217777 /nfs/dbraw/zinc/21/77/77/384217777.db2.gz CRIPQWPUGLDOEY-UHFFFAOYSA-N 1 2 241.298 1.487 40 0 BDABLO O=C1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000059803776 385054699 /nfs/dbraw/zinc/05/46/99/385054699.db2.gz VTYYMGLCWOHJQM-LBPRGKRZSA-N 1 2 219.284 1.070 40 0 BDABLO O=C1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000059803776 385054705 /nfs/dbraw/zinc/05/47/05/385054705.db2.gz VTYYMGLCWOHJQM-LBPRGKRZSA-N 1 2 219.284 1.070 40 0 BDABLO CCN(CC)Cc1cn2c([nH+]1)NCCC2 ZINC000072226591 385128922 /nfs/dbraw/zinc/12/89/22/385128922.db2.gz UILOPYSWADCYPZ-UHFFFAOYSA-N 1 2 208.309 1.541 40 0 BDABLO FC1(F)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000257218643 385753059 /nfs/dbraw/zinc/75/30/59/385753059.db2.gz DDYMSNYVRKGJHC-UHFFFAOYSA-N 1 2 201.220 1.641 40 0 BDABLO Cc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248141643 387136706 /nfs/dbraw/zinc/13/67/06/387136706.db2.gz FSKYQMYLIYKANW-OLZOCXBDSA-N 1 2 248.326 1.401 40 0 BDABLO Cc1ccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248141643 387136710 /nfs/dbraw/zinc/13/67/10/387136710.db2.gz FSKYQMYLIYKANW-OLZOCXBDSA-N 1 2 248.326 1.401 40 0 BDABLO CC[C@@H](O)c1ccc(N2CCOCC2)[nH+]c1 ZINC000072225490 322909016 /nfs/dbraw/zinc/90/90/16/322909016.db2.gz VQBSAHUSSCWHKU-LLVKDONJSA-N 1 2 222.288 1.362 40 0 BDABLO CCNc1cc(-c2ccccc2)[nH+]c(NCC)n1 ZINC000329061746 170041725 /nfs/dbraw/zinc/04/17/25/170041725.db2.gz WTEJDOFMEJKGGH-UHFFFAOYSA-N 1 2 242.326 1.851 40 0 BDABLO CCOC(=O)[C@]12CC(=[NH2+])O[C@H]1CCCC2 ZINC000012417541 170263311 /nfs/dbraw/zinc/26/33/11/170263311.db2.gz RADYGQVBHWUQQT-GZMMTYOYSA-N 1 2 211.261 1.876 40 0 BDABLO COC(=N)c1[nH+]c(N(C)C)n2ccccc12 ZINC000218890902 173493436 /nfs/dbraw/zinc/49/34/36/173493436.db2.gz BQBBPOVNONTNFA-UHFFFAOYSA-N 1 2 218.260 1.372 40 0 BDABLO CCOC(=O)c1cc2[nH+]c(N)ccc2[nH]1 ZINC000143253330 957898170 /nfs/dbraw/zinc/89/81/70/957898170.db2.gz OAJJMLMPCJNQJF-UHFFFAOYSA-N 1 2 205.217 1.322 40 0 BDABLO O=C(Cc1ccccc1)NCCCn1cc[nH+]c1 ZINC000005387575 136214998 /nfs/dbraw/zinc/21/49/98/136214998.db2.gz QTCHOYQEJRIXGP-UHFFFAOYSA-N 1 2 243.310 1.632 40 0 BDABLO Cc1nc([C@@H]2CCCN2c2cc(C)[nH+]cn2)no1 ZINC000072357281 178116523 /nfs/dbraw/zinc/11/65/23/178116523.db2.gz IEGKPJKJTQFECI-JTQLQIEISA-N 1 2 245.286 1.818 40 0 BDABLO OC[C@@H](c1ccccc1Cl)[NH+]1CCOCC1 ZINC000070452953 259313507 /nfs/dbraw/zinc/31/35/07/259313507.db2.gz ZAWINDFXRYSXCL-LBPRGKRZSA-N 1 2 241.718 1.706 40 0 BDABLO CSC1=NNC(C(C)(C)C)C(N)=[NH+]1 ZINC000016322734 342909705 /nfs/dbraw/zinc/90/97/05/342909705.db2.gz QYYFCOCBNXIWKE-ZETCQYMHSA-N 1 2 200.311 1.862 40 0 BDABLO C[NH+]1CCC(=C2SC(=S)NC2=O)CC1 ZINC000016778946 342915385 /nfs/dbraw/zinc/91/53/85/342915385.db2.gz BMDPMGZTAWIJPQ-UHFFFAOYSA-N 1 2 228.342 1.954 40 0 BDABLO CCc1cc[nH+]c(N)c1Br ZINC000096134627 344367990 /nfs/dbraw/zinc/36/79/90/344367990.db2.gz KNHCRAZAAJBEHN-UHFFFAOYSA-N 1 2 201.067 1.989 40 0 BDABLO C[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000033961948 345956921 /nfs/dbraw/zinc/95/69/21/345956921.db2.gz OSNIIMCBVLBNGS-QMMMGPOBSA-N 1 2 221.256 1.548 40 0 in-vitro BDABLO CC(C)(NC1=[NH+]CCO1)c1ccccc1 ZINC000001639244 188335035 /nfs/dbraw/zinc/33/50/35/188335035.db2.gz KEHKOXVLHWSTAX-UHFFFAOYSA-N 1 2 204.273 1.898 40 0 BDABLO C[NH+]1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000247722690 188369486 /nfs/dbraw/zinc/36/94/86/188369486.db2.gz BUZNFEWKPGTWLT-LLVKDONJSA-N 1 2 234.299 1.324 40 0 BDABLO C/C(=C\c1ccccc1)C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000294706718 188391953 /nfs/dbraw/zinc/39/19/53/188391953.db2.gz BNWCQULBFZHYPC-RPHSKFLZSA-N 1 2 244.338 1.910 40 0 BDABLO C/C(=C\c1ccccc1)C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000294706718 188391956 /nfs/dbraw/zinc/39/19/56/188391956.db2.gz BNWCQULBFZHYPC-RPHSKFLZSA-N 1 2 244.338 1.910 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2ccnn2CC)n1 ZINC000020349938 357339845 /nfs/dbraw/zinc/33/98/45/357339845.db2.gz SEEPWRYOKPEREP-UHFFFAOYSA-N 1 2 247.346 1.799 40 0 BDABLO c1cc([C@@H]2CCCCN2Cc2c[nH+]c[nH]2)n[nH]1 ZINC000205687541 368358535 /nfs/dbraw/zinc/35/85/35/368358535.db2.gz JTFJQXWHLUPWEE-LBPRGKRZSA-N 1 2 231.303 1.860 40 0 BDABLO O=C(NC1=[NH+]CCS1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000000369055 182093552 /nfs/dbraw/zinc/09/35/52/182093552.db2.gz HTYLXNMMALQHHI-DJLDLDEBSA-N 1 2 224.329 1.642 40 0 BDABLO O[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000040434235 183236219 /nfs/dbraw/zinc/23/62/19/183236219.db2.gz WMVYMNKGHLAHQK-ZETCQYMHSA-N 1 2 232.736 1.753 40 0 BDABLO O[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000040434235 183236220 /nfs/dbraw/zinc/23/62/20/183236220.db2.gz WMVYMNKGHLAHQK-ZETCQYMHSA-N 1 2 232.736 1.753 40 0 BDABLO CCCNc1[nH+]cnc2c1cnn2[C@@H]1CCCO1 ZINC000002044692 169296556 /nfs/dbraw/zinc/29/65/56/169296556.db2.gz SNEDMNSYYQGXPG-JTQLQIEISA-N 1 2 247.302 1.957 40 0 BDABLO Cc1noc([C@@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072357401 384212726 /nfs/dbraw/zinc/21/27/26/384212726.db2.gz FVXYLRBCBOYSDP-NSHDSACASA-N 1 2 247.302 1.449 40 0 BDABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N ZINC000072212412 385075243 /nfs/dbraw/zinc/07/52/43/385075243.db2.gz MJAKQUBJFUNTDO-JTQLQIEISA-N 1 2 205.261 1.347 40 0 BDABLO CCC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022538691 385919076 /nfs/dbraw/zinc/91/90/76/385919076.db2.gz UYPJBOGWTMBELU-OUAUKWLOSA-N 1 2 229.320 1.437 40 0 BDABLO CCC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022538691 385919080 /nfs/dbraw/zinc/91/90/80/385919080.db2.gz UYPJBOGWTMBELU-OUAUKWLOSA-N 1 2 229.320 1.437 40 0 BDABLO Clc1ccc2c(c1)OC[C@@]21COCC[NH2+]1 ZINC000306145721 385994562 /nfs/dbraw/zinc/99/45/62/385994562.db2.gz ONEDDHPOANBQNG-NSHDSACASA-N 1 2 225.675 1.548 40 0 BDABLO COC(=O)N(CC1CC1)c1ccc[nH+]c1N ZINC000095097712 386983592 /nfs/dbraw/zinc/98/35/92/386983592.db2.gz SEZGGDRYXUAKGR-UHFFFAOYSA-N 1 2 221.260 1.647 40 0 BDABLO Cc1nnc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)o1 ZINC000049169263 387420594 /nfs/dbraw/zinc/42/05/94/387420594.db2.gz LKYUJSHYCPUMGI-VIFPVBQESA-N 1 2 233.275 1.091 40 0 biogenic,in-vitro BDABLO Cc1nnc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)o1 ZINC000049169263 387420599 /nfs/dbraw/zinc/42/05/99/387420599.db2.gz LKYUJSHYCPUMGI-VIFPVBQESA-N 1 2 233.275 1.091 40 0 biogenic,in-vitro BDABLO COC(=O)[C@@H]1C[C@@H](C(F)(F)F)CC[NH2+]1 ZINC000217454645 388373619 /nfs/dbraw/zinc/37/36/19/388373619.db2.gz JTJHDIGEQRHIJX-WDSKDSINSA-N 1 2 211.183 1.090 40 0 BDABLO COC(=O)CCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000217767539 388381066 /nfs/dbraw/zinc/38/10/66/388381066.db2.gz SQIUTZBTMZRATE-UHFFFAOYSA-N 1 2 218.256 1.977 40 0 BDABLO COC(=O)CCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000217767539 388381068 /nfs/dbraw/zinc/38/10/68/388381068.db2.gz SQIUTZBTMZRATE-UHFFFAOYSA-N 1 2 218.256 1.977 40 0 BDABLO COCc1n[nH]c([C@@H]([NH3+])c2cccc(OC)c2)n1 ZINC000095533561 388776942 /nfs/dbraw/zinc/77/69/42/388776942.db2.gz IUXITGJBGITYFB-NSHDSACASA-N 1 2 248.286 1.008 40 0 BDABLO CCOc1ccc([C@H]([NH3+])c2nnc[nH]2)cc1OC ZINC000095534270 388780034 /nfs/dbraw/zinc/78/00/34/388780034.db2.gz HKOCOCGWZWDISA-NSHDSACASA-N 1 2 248.286 1.260 40 0 BDABLO CCOc1ccc([C@H]([NH3+])c2nc[nH]n2)cc1OC ZINC000095534270 388780038 /nfs/dbraw/zinc/78/00/38/388780038.db2.gz HKOCOCGWZWDISA-NSHDSACASA-N 1 2 248.286 1.260 40 0 BDABLO Nc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)[nH+]cn1 ZINC000072357409 132396524 /nfs/dbraw/zinc/39/65/24/132396524.db2.gz OETUXFRXDXAAAI-SECBINFHSA-N 1 2 244.302 1.166 40 0 BDABLO OCc1c[nH+]cn1Cc1cc(F)cc(F)c1 ZINC000409423495 398085316 /nfs/dbraw/zinc/08/53/16/398085316.db2.gz RVWGPCUGYBDNNF-UHFFFAOYSA-N 1 2 224.210 1.702 40 0 BDABLO CC[N@@H+]1CCO[C@H](c2nn(C)c3ncccc23)C1 ZINC000072383169 170007014 /nfs/dbraw/zinc/00/70/14/170007014.db2.gz ITWDXZUQXXPQCM-NSHDSACASA-N 1 2 246.314 1.362 40 0 BDABLO CC[N@H+]1CCO[C@H](c2nn(C)c3ncccc23)C1 ZINC000072383169 170007015 /nfs/dbraw/zinc/00/70/15/170007015.db2.gz ITWDXZUQXXPQCM-NSHDSACASA-N 1 2 246.314 1.362 40 0 BDABLO CCNc1[nH+]cnc2c1cnn2[C@H]1CCCCO1 ZINC000001676902 170178179 /nfs/dbraw/zinc/17/81/79/170178179.db2.gz WDOJJFOXOFILPK-SNVBAGLBSA-N 1 2 247.302 1.957 40 0 BDABLO CCOC(=O)C(F)(F)[C@H]1CCCC[NH2+]1 ZINC000217481823 170187864 /nfs/dbraw/zinc/18/78/64/170187864.db2.gz DPRKWWUURWTNPW-SSDOTTSWSA-N 1 2 207.220 1.327 40 0 BDABLO CCOC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000071789866 170290784 /nfs/dbraw/zinc/29/07/84/170290784.db2.gz FWYPHHYNYOBQAM-UHFFFAOYSA-N 1 2 217.228 1.444 40 0 BDABLO CCn1cc[nH+]c1CN1CCC[C@H]1c1cc[nH]n1 ZINC000072382077 172220286 /nfs/dbraw/zinc/22/02/86/172220286.db2.gz OERDSKSNCOXHLY-LBPRGKRZSA-N 1 2 245.330 1.963 40 0 BDABLO C[NH+](C)/C=C/c1nnnn1-c1ccc(Cl)cc1 ZINC000055135610 172350695 /nfs/dbraw/zinc/35/06/95/172350695.db2.gz JEZPNFLAXIIAMB-BQYQJAHWSA-N 1 2 249.705 1.848 40 0 BDABLO C[N@@H+]1CCCC[C@H]1c1ncc(C(N)=O)s1 ZINC000257337730 173010203 /nfs/dbraw/zinc/01/02/03/173010203.db2.gz YUDDLUKLHPTLDR-ZETCQYMHSA-N 1 2 225.317 1.399 40 0 BDABLO C[N@H+]1CCCC[C@H]1c1ncc(C(N)=O)s1 ZINC000257337730 173010204 /nfs/dbraw/zinc/01/02/04/173010204.db2.gz YUDDLUKLHPTLDR-ZETCQYMHSA-N 1 2 225.317 1.399 40 0 BDABLO CN1c2ccc(O)cc2[C@]2(C)CC[N@@H+](C)[C@@H]12 ZINC000053151214 173137297 /nfs/dbraw/zinc/13/72/97/173137297.db2.gz HKGWQUVGHPDEBZ-STQMWFEESA-N 1 2 218.300 1.761 40 0 in-vitro BDABLO CN1c2ccc(O)cc2[C@]2(C)CC[N@H+](C)[C@@H]12 ZINC000053151214 173137299 /nfs/dbraw/zinc/13/72/99/173137299.db2.gz HKGWQUVGHPDEBZ-STQMWFEESA-N 1 2 218.300 1.761 40 0 in-vitro BDABLO COc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000006621632 175060030 /nfs/dbraw/zinc/06/00/30/175060030.db2.gz MLTNENMDGPXNJI-UHFFFAOYSA-N 1 2 245.282 1.391 40 0 BDABLO COc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000006621632 175060032 /nfs/dbraw/zinc/06/00/32/175060032.db2.gz MLTNENMDGPXNJI-UHFFFAOYSA-N 1 2 245.282 1.391 40 0 BDABLO COc1ccc([NH2+]C[C@@H]2C[C@@H]2CO)cc1 ZINC000096509349 175151699 /nfs/dbraw/zinc/15/16/99/175151699.db2.gz YLWJAEIPDTYFCG-VHSXEESVSA-N 1 2 207.273 1.736 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2cnn(C)c2C)n1 ZINC000020349868 521655526 /nfs/dbraw/zinc/65/55/26/521655526.db2.gz ROUYOXQWIIIKGO-UHFFFAOYSA-N 1 2 247.346 1.625 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2ccn(C)n2)n1 ZINC000020349797 521655752 /nfs/dbraw/zinc/65/57/52/521655752.db2.gz YXVJTCYYEBGBRE-UHFFFAOYSA-N 1 2 233.319 1.316 40 0 BDABLO CCCn1nccc1C[NH2+]Cc1ccn(C)n1 ZINC000020349809 521672712 /nfs/dbraw/zinc/67/27/12/521672712.db2.gz AIBLKXMVWSJCGY-UHFFFAOYSA-N 1 2 233.319 1.316 40 0 BDABLO Cc1cc(N2CCC[C@@H]2c2cnccn2)nc[nH+]1 ZINC000072381860 178114451 /nfs/dbraw/zinc/11/44/51/178114451.db2.gz PQAKEEXABYTENK-GFCCVEGCSA-N 1 2 241.298 1.917 40 0 BDABLO OCCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000072225482 259322433 /nfs/dbraw/zinc/32/24/33/259322433.db2.gz VIERANPUTRHGFF-UHFFFAOYSA-N 1 2 220.316 1.997 40 0 BDABLO COCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000019695455 347033181 /nfs/dbraw/zinc/03/31/81/347033181.db2.gz UESPQJVUAZIXNS-GFCCVEGCSA-N 1 2 222.288 1.101 40 0 BDABLO COCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000019695455 347033184 /nfs/dbraw/zinc/03/31/84/347033184.db2.gz UESPQJVUAZIXNS-GFCCVEGCSA-N 1 2 222.288 1.101 40 0 BDABLO Cc1nc2cc([C@@H]3CC[NH2+]C3)[nH]n2c(=O)c1C ZINC000100228926 180085579 /nfs/dbraw/zinc/08/55/79/180085579.db2.gz CYHNMCKJDDZQRV-SECBINFHSA-N 1 2 232.287 1.129 40 0 BDABLO Cc1c[nH+]c2n1CCN(C(=O)OC(C)(C)C)C2 ZINC000230822237 350608366 /nfs/dbraw/zinc/60/83/66/350608366.db2.gz PIUWJJZSRAHOTQ-UHFFFAOYSA-N 1 2 237.303 1.942 40 0 BDABLO COc1ccc([C@]23CCCN2CCC[NH2+]3)cc1 ZINC000019329203 188280754 /nfs/dbraw/zinc/28/07/54/188280754.db2.gz PMGLPQRIWNNHRB-AWEZNQCLSA-N 1 2 232.327 1.937 40 0 BDABLO Cc1nc(Nc2nncs2)cc(C2C[NH2+]C2)n1 ZINC000257328414 188371254 /nfs/dbraw/zinc/37/12/54/188371254.db2.gz XFNXAISYXRWTJI-UHFFFAOYSA-N 1 2 248.315 1.067 40 0 BDABLO NC(=[NH2+])c1c(F)c(F)c(F)c(F)c1F ZINC000002599217 181193019 /nfs/dbraw/zinc/19/30/19/181193019.db2.gz FIXVRHAXWQPALT-UHFFFAOYSA-N 1 2 210.105 1.666 40 0 BDABLO OC1C[NH+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000362308954 183030870 /nfs/dbraw/zinc/03/08/70/183030870.db2.gz MQGKDKYUWOWDDZ-UHFFFAOYSA-N 1 2 247.216 1.762 40 0 BDABLO O=c1c2c([nH]n1C1CCCC1)C[NH2+]CC2 ZINC000110751853 183254621 /nfs/dbraw/zinc/25/46/21/183254621.db2.gz DGSXRIPOKJAMLM-UHFFFAOYSA-N 1 2 207.277 1.350 40 0 BDABLO c1cc(-c2n[nH]c([C@H]3CCC[NH2+]3)n2)ccn1 ZINC000012114037 183330317 /nfs/dbraw/zinc/33/03/17/183330317.db2.gz NNOPUXKJLMFDAQ-SECBINFHSA-N 1 2 215.260 1.291 40 0 BDABLO S=C(NC[C@H]1CCCO1)Nc1cc[nH+]cc1 ZINC000016972076 183311797 /nfs/dbraw/zinc/31/17/97/183311797.db2.gz NHXINNCKYRBCAL-SNVBAGLBSA-N 1 2 237.328 1.547 40 0 BDABLO CCC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022538695 169346432 /nfs/dbraw/zinc/34/64/32/169346432.db2.gz UYPJBOGWTMBELU-AXFHLTTASA-N 1 2 229.320 1.437 40 0 BDABLO CCC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022538695 169346433 /nfs/dbraw/zinc/34/64/33/169346433.db2.gz UYPJBOGWTMBELU-AXFHLTTASA-N 1 2 229.320 1.437 40 0 BDABLO Cc1cc2c(ncn2C[NH+]2CCOCC2)c(C)c1 ZINC000073634231 384024965 /nfs/dbraw/zinc/02/49/65/384024965.db2.gz MHGZJLDRWZDLCI-UHFFFAOYSA-N 1 2 245.326 1.943 40 0 BDABLO c1cnc(Nc2nccc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000072376727 384035759 /nfs/dbraw/zinc/03/57/59/384035759.db2.gz OFPHXKQIMWWCHC-VIFPVBQESA-N 1 2 242.286 1.435 40 0 BDABLO CCOc1ccc(C2=[NH+]CCN2)c(O)c1 ZINC000005464736 384115486 /nfs/dbraw/zinc/11/54/86/384115486.db2.gz ZGVJTPZSAIIBJM-UHFFFAOYSA-N 1 2 206.245 1.141 40 0 BDABLO CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)[O-] ZINC000079419758 384144056 /nfs/dbraw/zinc/14/40/56/384144056.db2.gz BGVCLLPQIGTKJH-WDEREUQCSA-N 1 2 228.336 1.312 40 0 BDABLO CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)[O-] ZINC000079419758 384144058 /nfs/dbraw/zinc/14/40/58/384144058.db2.gz BGVCLLPQIGTKJH-WDEREUQCSA-N 1 2 228.336 1.312 40 0 BDABLO Cc1c[nH]nc1[C@H]1CCCN1Cc1[nH+]ccn1C ZINC000072357326 384213554 /nfs/dbraw/zinc/21/35/54/384213554.db2.gz LTCUQPYCRLUDKZ-LLVKDONJSA-N 1 2 245.330 1.789 40 0 BDABLO CNc1cccc([C@@H]2CCCN(C(C)=O)C2)[nH+]1 ZINC000072381442 384217253 /nfs/dbraw/zinc/21/72/53/384217253.db2.gz UKOKTFNQCOEQDO-LLVKDONJSA-N 1 2 233.315 1.849 40 0 BDABLO c1c[nH+]c(CN2CCO[C@H](c3ccccn3)C2)[nH]1 ZINC000072382070 384219202 /nfs/dbraw/zinc/21/92/02/384219202.db2.gz BNMROOXUNPGCKG-LBPRGKRZSA-N 1 2 244.298 1.378 40 0 BDABLO c1ccc(N2CCC3(COC3)CC2)[nH+]c1 ZINC000096078155 384435171 /nfs/dbraw/zinc/43/51/71/384435171.db2.gz QRVWFGAZRCQWEH-UHFFFAOYSA-N 1 2 204.273 1.698 40 0 BDABLO CCc1cc(=O)n2[nH]c([C@H]3CCC[NH2+]C3)cc2n1 ZINC000100227225 384624368 /nfs/dbraw/zinc/62/43/68/384624368.db2.gz SGHDFLICDVKCCP-VIFPVBQESA-N 1 2 246.314 1.464 40 0 BDABLO CC(=O)c1[nH+]c(N(C)C)n2ccccc12 ZINC000107371169 384701120 /nfs/dbraw/zinc/70/11/20/384701120.db2.gz OOWDPSJSTSAITN-UHFFFAOYSA-N 1 2 203.245 1.603 40 0 BDABLO CNC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000258704356 384932270 /nfs/dbraw/zinc/93/22/70/384932270.db2.gz NRVVSTUZKZIVHB-UHFFFAOYSA-N 1 2 218.260 1.633 40 0 BDABLO c1ccc(C[N@@H+]2Cc3cncnc3C2)cc1 ZINC000072206891 385058258 /nfs/dbraw/zinc/05/82/58/385058258.db2.gz CMJVIOQTXNYNOD-UHFFFAOYSA-N 1 2 211.268 1.992 40 0 BDABLO c1ccc(C[N@H+]2Cc3cncnc3C2)cc1 ZINC000072206891 385058265 /nfs/dbraw/zinc/05/82/65/385058265.db2.gz CMJVIOQTXNYNOD-UHFFFAOYSA-N 1 2 211.268 1.992 40 0 BDABLO Cc1n[nH]c(C[NH+](C)C)c1Br ZINC000072226938 385128815 /nfs/dbraw/zinc/12/88/15/385128815.db2.gz CSUOPGAMZOBMOL-UHFFFAOYSA-N 1 2 218.098 1.542 40 0 BDABLO Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000031659571 385095606 /nfs/dbraw/zinc/09/56/06/385095606.db2.gz HYXDERNDNBQMED-UHFFFAOYSA-N 1 2 240.310 1.617 40 0 BDABLO Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000031659571 385095615 /nfs/dbraw/zinc/09/56/15/385095615.db2.gz HYXDERNDNBQMED-UHFFFAOYSA-N 1 2 240.310 1.617 40 0 BDABLO CC(C)(C)CC(C)(C)OC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000064219313 385246656 /nfs/dbraw/zinc/24/66/56/385246656.db2.gz WJWZAVFUZDCFEF-VHSXEESVSA-N 1 2 243.347 1.467 40 0 BDABLO CCCC[NH2+]Cc1c(O)[nH]c2ncccc2c1=O ZINC000033738180 385263966 /nfs/dbraw/zinc/26/39/66/385263966.db2.gz NWPQBTUUIDTLNW-UHFFFAOYSA-N 1 2 247.298 1.518 40 0 BDABLO CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257341619 385764696 /nfs/dbraw/zinc/76/46/96/385764696.db2.gz ZLCJJDUSZXPZCR-NSHDSACASA-N 1 2 219.288 1.187 40 0 BDABLO Cc1c[nH+]c([C@@H]2CCCN(c3ncccn3)C2)[nH]1 ZINC000257319347 385765083 /nfs/dbraw/zinc/76/50/83/385765083.db2.gz VRZUIPJTCORZDX-LLVKDONJSA-N 1 2 243.314 1.892 40 0 BDABLO COC[C@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225179051 386174651 /nfs/dbraw/zinc/17/46/51/386174651.db2.gz ZRGFXNXPMOKOBY-QMMMGPOBSA-N 1 2 225.317 1.403 40 0 BDABLO CSc1nc(C(C)=O)cc2c1CC[N@H+](C)C2 ZINC000169553832 387675574 /nfs/dbraw/zinc/67/55/74/387675574.db2.gz FLBAZJLVKVNKAH-UHFFFAOYSA-N 1 2 236.340 1.994 40 0 BDABLO CSc1nc(C(C)=O)cc2c1CC[N@@H+](C)C2 ZINC000169553832 387675579 /nfs/dbraw/zinc/67/55/79/387675579.db2.gz FLBAZJLVKVNKAH-UHFFFAOYSA-N 1 2 236.340 1.994 40 0 BDABLO OC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439159 388696278 /nfs/dbraw/zinc/69/62/78/388696278.db2.gz HQECTHFQODGPCN-JTQLQIEISA-N 1 2 248.330 1.260 40 0 BDABLO OC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439159 388696281 /nfs/dbraw/zinc/69/62/81/388696281.db2.gz HQECTHFQODGPCN-JTQLQIEISA-N 1 2 248.330 1.260 40 0 BDABLO OC[C@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000070453090 388730081 /nfs/dbraw/zinc/73/00/81/388730081.db2.gz IHLGQOAUIZJICT-GFCCVEGCSA-N 1 2 225.263 1.191 40 0 BDABLO CNc1ccc([NH+]2CCCCC2)c(C(N)=O)c1 ZINC000226279555 132291518 /nfs/dbraw/zinc/29/15/18/132291518.db2.gz BSAIFVVKLRCEFQ-UHFFFAOYSA-N 1 2 233.315 1.818 40 0 BDABLO OC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000044029871 132353563 /nfs/dbraw/zinc/35/35/63/132353563.db2.gz WJDYJAQMQWKTBJ-UHFFFAOYSA-N 1 2 234.303 1.012 40 0 BDABLO OC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000044029871 132353565 /nfs/dbraw/zinc/35/35/65/132353565.db2.gz WJDYJAQMQWKTBJ-UHFFFAOYSA-N 1 2 234.303 1.012 40 0 BDABLO C[N@@H+]1CCC[C@@H]1c1[nH]nc2c1C(=O)CCC2 ZINC000096515791 173036651 /nfs/dbraw/zinc/03/66/51/173036651.db2.gz KYVUSLKQRMAHBZ-SECBINFHSA-N 1 2 219.288 1.695 40 0 BDABLO C[N@H+]1CCC[C@@H]1c1[nH]nc2c1C(=O)CCC2 ZINC000096515791 173036655 /nfs/dbraw/zinc/03/66/55/173036655.db2.gz KYVUSLKQRMAHBZ-SECBINFHSA-N 1 2 219.288 1.695 40 0 BDABLO C[N@@H+]1CCC[C@@H]1c1n[nH]c2c1C(=O)CCC2 ZINC000096515791 173036657 /nfs/dbraw/zinc/03/66/57/173036657.db2.gz KYVUSLKQRMAHBZ-SECBINFHSA-N 1 2 219.288 1.695 40 0 BDABLO C[N@H+]1CCC[C@@H]1c1n[nH]c2c1C(=O)CCC2 ZINC000096515791 173036659 /nfs/dbraw/zinc/03/66/59/173036659.db2.gz KYVUSLKQRMAHBZ-SECBINFHSA-N 1 2 219.288 1.695 40 0 BDABLO Cc1ccc2c(c1)[nH+]c(CCCO)n2C ZINC000071744977 490277310 /nfs/dbraw/zinc/27/73/10/490277310.db2.gz WMGVSXPNLBEVJB-UHFFFAOYSA-N 1 2 204.273 1.807 40 0 BDABLO Cc1noc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072381856 178114349 /nfs/dbraw/zinc/11/43/49/178114349.db2.gz HZYBTDZMSAHIRA-SNVBAGLBSA-N 1 2 245.286 1.818 40 0 BDABLO Cc1cc(F)cc2c1[nH+]cc1c2NCCNC1=O ZINC000064874774 259313107 /nfs/dbraw/zinc/31/31/07/259313107.db2.gz BBOGYHYNZIMFSI-UHFFFAOYSA-N 1 2 245.257 1.838 40 0 BDABLO OC[C@@H](c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000070452822 259312893 /nfs/dbraw/zinc/31/28/93/259312893.db2.gz QABDAOKJDVWGMM-LBPRGKRZSA-N 1 2 241.718 1.706 40 0 BDABLO COCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC000019695456 347031718 /nfs/dbraw/zinc/03/17/18/347031718.db2.gz UESPQJVUAZIXNS-LBPRGKRZSA-N 1 2 222.288 1.101 40 0 BDABLO COCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC000019695456 347031719 /nfs/dbraw/zinc/03/17/19/347031719.db2.gz UESPQJVUAZIXNS-LBPRGKRZSA-N 1 2 222.288 1.101 40 0 BDABLO COC(=O)C(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022123107 350084178 /nfs/dbraw/zinc/08/41/78/350084178.db2.gz LUZYGXULZYWEBC-IUCAKERBSA-N 1 2 215.293 1.047 40 0 BDABLO CC(C)[N@H+](CCO)CC(=O)c1nccs1 ZINC000079436059 188291725 /nfs/dbraw/zinc/29/17/25/188291725.db2.gz CSXGHGWDBLSHMG-UHFFFAOYSA-N 1 2 228.317 1.029 40 0 BDABLO CC(C)[N@@H+](CCO)CC(=O)c1nccs1 ZINC000079436059 188291726 /nfs/dbraw/zinc/29/17/26/188291726.db2.gz CSXGHGWDBLSHMG-UHFFFAOYSA-N 1 2 228.317 1.029 40 0 BDABLO COc1ccc(OCc2nnc([C@H](C)[NH3+])[nH]2)cc1 ZINC000095534654 188319780 /nfs/dbraw/zinc/31/97/80/188319780.db2.gz AXJISTCVMRHFEB-QMMMGPOBSA-N 1 2 248.286 1.412 40 0 BDABLO OCc1c[nH+]cn1Cc1ccc2c(c1)OCO2 ZINC000034544513 183170841 /nfs/dbraw/zinc/17/08/41/183170841.db2.gz JPFGVLLRCYNINW-UHFFFAOYSA-N 1 2 232.239 1.152 40 0 BDABLO S=C(NC[C@@H]1CCCO1)Nc1cc[nH+]cc1 ZINC000016972070 183311456 /nfs/dbraw/zinc/31/14/56/183311456.db2.gz NHXINNCKYRBCAL-JTQLQIEISA-N 1 2 237.328 1.547 40 0 BDABLO c1cc(C[N@@H+]2CCC[C@H]2c2ccncn2)n[nH]1 ZINC000257289327 183360712 /nfs/dbraw/zinc/36/07/12/183360712.db2.gz PYDMAVRTSVRHCE-LBPRGKRZSA-N 1 2 229.287 1.537 40 0 BDABLO c1cc(C[N@H+]2CCC[C@H]2c2ccncn2)n[nH]1 ZINC000257289327 183360714 /nfs/dbraw/zinc/36/07/14/183360714.db2.gz PYDMAVRTSVRHCE-LBPRGKRZSA-N 1 2 229.287 1.537 40 0 BDABLO COC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC000090513475 384058278 /nfs/dbraw/zinc/05/82/78/384058278.db2.gz RWFXAZQKOWDYSW-UHFFFAOYSA-N 1 2 216.240 1.874 40 0 BDABLO CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)[O-] ZINC000079419761 384142543 /nfs/dbraw/zinc/14/25/43/384142543.db2.gz BGVCLLPQIGTKJH-QWRGUYRKSA-N 1 2 228.336 1.312 40 0 BDABLO CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)[O-] ZINC000079419761 384142549 /nfs/dbraw/zinc/14/25/49/384142549.db2.gz BGVCLLPQIGTKJH-QWRGUYRKSA-N 1 2 228.336 1.312 40 0 BDABLO Cc1nc(N2CCC[C@H]2Cn2cccn2)cc[nH+]1 ZINC000072369062 384213396 /nfs/dbraw/zinc/21/33/96/384213396.db2.gz RSVNDMBPLUDBHN-LBPRGKRZSA-N 1 2 243.314 1.651 40 0 BDABLO Nc1ncc2c(n1)C[N@@H+](Cc1ccccc1)C2 ZINC000095931270 384410071 /nfs/dbraw/zinc/41/00/71/384410071.db2.gz GEVBPDWWIHZQOO-UHFFFAOYSA-N 1 2 226.283 1.575 40 0 BDABLO Nc1ncc2c(n1)C[N@H+](Cc1ccccc1)C2 ZINC000095931270 384410076 /nfs/dbraw/zinc/41/00/76/384410076.db2.gz GEVBPDWWIHZQOO-UHFFFAOYSA-N 1 2 226.283 1.575 40 0 BDABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1cc[nH]n1 ZINC000072187695 385047498 /nfs/dbraw/zinc/04/74/98/385047498.db2.gz LPDBHIPVMJNYAT-NSHDSACASA-N 1 2 231.303 1.480 40 0 BDABLO O=CN1CCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213706 385083914 /nfs/dbraw/zinc/08/39/14/385083914.db2.gz FLIITMANKWXRRG-GFCCVEGCSA-N 1 2 231.299 1.949 40 0 BDABLO CN(C)c1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072212628 385080961 /nfs/dbraw/zinc/08/09/61/385080961.db2.gz LODPICLHMTWZRG-LBPRGKRZSA-N 1 2 233.315 1.831 40 0 BDABLO COc1ccc(OCc2nnc([C@@H](C)[NH3+])[nH]2)cc1 ZINC000095534655 385046779 /nfs/dbraw/zinc/04/67/79/385046779.db2.gz AXJISTCVMRHFEB-MRVPVSSYSA-N 1 2 248.286 1.412 40 0 BDABLO c1ccc2c(c1)OC[C@@H](C[NH+]1CCOCC1)O2 ZINC000031880691 385108496 /nfs/dbraw/zinc/10/84/96/385108496.db2.gz IFHNHXVGQVKTTI-LLVKDONJSA-N 1 2 235.283 1.159 40 0 BDABLO CC[C@H](O)c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC000072222509 385110392 /nfs/dbraw/zinc/11/03/92/385110392.db2.gz FULYKKSROITQOQ-LBPRGKRZSA-N 1 2 236.315 1.670 40 0 BDABLO CC(C)C(=O)c1cc2c(nc1N)CC[N@H+](C)C2 ZINC000095098417 385495840 /nfs/dbraw/zinc/49/58/40/385495840.db2.gz CSRZWOGVPXTAPY-UHFFFAOYSA-N 1 2 233.315 1.490 40 0 BDABLO CC(C)C(=O)c1cc2c(nc1N)CC[N@@H+](C)C2 ZINC000095098417 385495843 /nfs/dbraw/zinc/49/58/43/385495843.db2.gz CSRZWOGVPXTAPY-UHFFFAOYSA-N 1 2 233.315 1.490 40 0 BDABLO Fc1ccc2c(c1)OC[C@]21COCC[NH2+]1 ZINC000306145852 385994731 /nfs/dbraw/zinc/99/47/31/385994731.db2.gz SKBDQDYPZBUFEA-LLVKDONJSA-N 1 2 209.220 1.033 40 0 BDABLO Fc1ccc2c(c1)[C@]1(CO2)COCC[NH2+]1 ZINC000306145417 385993887 /nfs/dbraw/zinc/99/38/87/385993887.db2.gz DYTTYTMRVZMAFR-LLVKDONJSA-N 1 2 209.220 1.033 40 0 BDABLO CC(C)Cn1ccc(C[NH2+]Cc2cnn(C)c2)n1 ZINC000256053946 387863297 /nfs/dbraw/zinc/86/32/97/387863297.db2.gz UHBBUOUYDYUUNA-UHFFFAOYSA-N 1 2 247.346 1.562 40 0 BDABLO O=C(C[N@H+]1CCC[C@@H](CO)C1)c1cccs1 ZINC000050132059 387884324 /nfs/dbraw/zinc/88/43/24/387884324.db2.gz USBTXMRWROETNS-SNVBAGLBSA-N 1 2 239.340 1.635 40 0 BDABLO O=C(C[N@@H+]1CCC[C@@H](CO)C1)c1cccs1 ZINC000050132059 387884328 /nfs/dbraw/zinc/88/43/28/387884328.db2.gz USBTXMRWROETNS-SNVBAGLBSA-N 1 2 239.340 1.635 40 0 BDABLO CC(C)n1ccc(C[NH2+]Cc2ccn(C)n2)n1 ZINC000096811856 167760989 /nfs/dbraw/zinc/76/09/89/167760989.db2.gz AIYMYWHPYQGVKD-UHFFFAOYSA-N 1 2 233.319 1.487 40 0 BDABLO COc1ccccc1Cc1cc(N)nc(C)[nH+]1 ZINC000575621986 411863985 /nfs/dbraw/zinc/86/39/85/411863985.db2.gz HOOZLBYQSTVNBC-UHFFFAOYSA-N 1 2 229.283 1.967 40 0 BDABLO CC[C@H](C(=O)OC)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000035655759 171241582 /nfs/dbraw/zinc/24/15/82/171241582.db2.gz KKMJLMSDDAULKG-OPRDCNLKSA-N 1 2 215.293 1.047 40 0 BDABLO CCn1cc(C[NH2+]Cc2ccn(C(C)C)n2)cn1 ZINC000256054253 172171561 /nfs/dbraw/zinc/17/15/61/172171561.db2.gz VPFHNTLMKDZAFW-UHFFFAOYSA-N 1 2 247.346 1.970 40 0 BDABLO C[N@@H+]1CC[C@](C)(c2ccccc2)C(=O)C1 ZINC000001593229 173163019 /nfs/dbraw/zinc/16/30/19/173163019.db2.gz HNXXSKFSFOMTOI-CYBMUJFWSA-N 1 2 203.285 1.849 40 0 BDABLO C[N@H+]1CC[C@](C)(c2ccccc2)C(=O)C1 ZINC000001593229 173163020 /nfs/dbraw/zinc/16/30/20/173163020.db2.gz HNXXSKFSFOMTOI-CYBMUJFWSA-N 1 2 203.285 1.849 40 0 BDABLO COCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000049355752 174052867 /nfs/dbraw/zinc/05/28/67/174052867.db2.gz ZFMHGHGZJDFYKB-UHFFFAOYSA-N 1 2 245.282 1.135 40 0 BDABLO COc1ccc(C(=O)N2CC[NH+]=C2C)cc1OC ZINC000032647766 175056656 /nfs/dbraw/zinc/05/66/56/175056656.db2.gz GCLYDTPDLXOTDM-UHFFFAOYSA-N 1 2 248.282 1.578 40 0 BDABLO COc1ccc2c(c1)C(=Cc1c[nH]c[nH+]1)C(=O)N2 ZINC000035052144 175205657 /nfs/dbraw/zinc/20/56/57/175205657.db2.gz QNUKRWAIZMBVCU-NYYWCZLTSA-N 1 2 241.250 1.911 40 0 BDABLO COc1ccccc1[C@@H]([NH3+])c1ncccn1 ZINC000037467260 175346862 /nfs/dbraw/zinc/34/68/62/175346862.db2.gz ZRKPSWIOQDORCY-LLVKDONJSA-N 1 2 215.256 1.533 40 0 BDABLO CCOC(=O)[C@@H]1CC[N@@H+]1CCc1ccccc1 ZINC000062710202 323091157 /nfs/dbraw/zinc/09/11/57/323091157.db2.gz GDRGIKSJUYPJBA-ZDUSSCGKSA-N 1 2 233.311 1.867 40 0 BDABLO CCOC(=O)[C@@H]1CC[N@H+]1CCc1ccccc1 ZINC000062710202 323091158 /nfs/dbraw/zinc/09/11/58/323091158.db2.gz GDRGIKSJUYPJBA-ZDUSSCGKSA-N 1 2 233.311 1.867 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2ccnn2C)n1 ZINC000020349926 521656176 /nfs/dbraw/zinc/65/61/76/521656176.db2.gz WBJMWYHCXPPYIJ-UHFFFAOYSA-N 1 2 233.319 1.316 40 0 BDABLO CCn1ccc(C[NH2+]Cc2ccn(CC)n2)n1 ZINC000020349815 523494455 /nfs/dbraw/zinc/49/44/55/523494455.db2.gz FPJDQSIGLYFERB-UHFFFAOYSA-N 1 2 233.319 1.409 40 0 BDABLO COC(=O)[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000141587634 523763166 /nfs/dbraw/zinc/76/31/66/523763166.db2.gz VQNGDZGGEIMHTE-STQMWFEESA-N 1 2 249.310 1.185 40 0 BDABLO COC(=O)[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC000141587634 523763172 /nfs/dbraw/zinc/76/31/72/523763172.db2.gz VQNGDZGGEIMHTE-STQMWFEESA-N 1 2 249.310 1.185 40 0 BDABLO CNc1ccc([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072212463 259317637 /nfs/dbraw/zinc/31/76/37/259317637.db2.gz NCXSTDMNNFEJAL-JTQLQIEISA-N 1 2 205.261 1.417 40 0 BDABLO O=C(C[NH+]1CCCCC1)NC(=O)c1ccccc1 ZINC000001713443 342710590 /nfs/dbraw/zinc/71/05/90/342710590.db2.gz SYAGCLVTLMLOGO-UHFFFAOYSA-N 1 2 246.310 1.429 40 0 BDABLO CCCNc1cc(C)c(C(=O)OC)c[nH+]1 ZINC000072223199 259320860 /nfs/dbraw/zinc/32/08/60/259320860.db2.gz URIYWJULRVIWFU-UHFFFAOYSA-N 1 2 208.261 1.999 40 0 BDABLO c1[nH]cc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000041211001 350577957 /nfs/dbraw/zinc/57/79/57/350577957.db2.gz YOLMYBDJHDLKLX-UHFFFAOYSA-N 1 2 202.213 1.848 40 0 BDABLO CC(C)(C)OC(=O)N1CCc2[nH+]ccn2CC1 ZINC000091304676 188318737 /nfs/dbraw/zinc/31/87/37/188318737.db2.gz UUEGIWZUYCIAPL-UHFFFAOYSA-N 1 2 237.303 1.676 40 0 BDABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000205683295 368357292 /nfs/dbraw/zinc/35/72/92/368357292.db2.gz JIXGWHVDNYLSKG-LBPRGKRZSA-N 1 2 245.330 1.789 40 0 BDABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000205683295 368357294 /nfs/dbraw/zinc/35/72/94/368357294.db2.gz JIXGWHVDNYLSKG-LBPRGKRZSA-N 1 2 245.330 1.789 40 0 BDABLO CCC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000205690872 369997570 /nfs/dbraw/zinc/99/75/70/369997570.db2.gz VZTJWWPKUPBNMR-LBPRGKRZSA-N 1 2 247.342 1.919 40 0 BDABLO c1cc(C[NH+]2CCOCC2)n(C2CC2)c1 ZINC000225309637 183345347 /nfs/dbraw/zinc/34/53/47/183345347.db2.gz LKJXZKOQISDFLP-UHFFFAOYSA-N 1 2 206.289 1.655 40 0 BDABLO C[C@H]([NH3+])c1nnc(COc2ccccc2)[nH]1 ZINC000061843880 384383195 /nfs/dbraw/zinc/38/31/95/384383195.db2.gz OWNNAIWHGTUQHC-QMMMGPOBSA-N 1 2 218.260 1.403 40 0 BDABLO Nc1[nH+]cnc2c1cnn2[C@H]1CCCCO1 ZINC000001676899 384433671 /nfs/dbraw/zinc/43/36/71/384433671.db2.gz PUSIJCPBROTHKO-MRVPVSSYSA-N 1 2 219.248 1.108 40 0 BDABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N(C)C ZINC000072212650 385079464 /nfs/dbraw/zinc/07/94/64/385079464.db2.gz SDYBDQQUPGYJMB-LBPRGKRZSA-N 1 2 233.315 1.831 40 0 BDABLO CCC(=O)c1c[nH+]c(N2CCOCC2)cc1C ZINC000072223547 385112539 /nfs/dbraw/zinc/11/25/39/385112539.db2.gz RROKSDWVKAQINH-UHFFFAOYSA-N 1 2 234.299 1.819 40 0 BDABLO Cc1[nH+]c(N2CCOCC2)ccc1[C@H](C)O ZINC000072224596 385118235 /nfs/dbraw/zinc/11/82/35/385118235.db2.gz QHUOORCOLOQQBY-JTQLQIEISA-N 1 2 222.288 1.280 40 0 BDABLO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H](C)O ZINC000072224595 385118538 /nfs/dbraw/zinc/11/85/38/385118538.db2.gz QHUOORCOLOQQBY-SNVBAGLBSA-N 1 2 222.288 1.280 40 0 BDABLO Cc1cc(N2CCC(C(=O)N(C)C)CC2)nc[nH+]1 ZINC000257261823 385759606 /nfs/dbraw/zinc/75/96/06/385759606.db2.gz LIYFVSSEOZGDJH-UHFFFAOYSA-N 1 2 248.330 1.090 40 0 BDABLO c1ncc(C[NH+]2CCC(c3cnccn3)CC2)[nH]1 ZINC000257329532 385763397 /nfs/dbraw/zinc/76/33/97/385763397.db2.gz XKIUZLMMRWCBPS-UHFFFAOYSA-N 1 2 243.314 1.579 40 0 BDABLO [NH3+]C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247716067 386730763 /nfs/dbraw/zinc/73/07/63/386730763.db2.gz NHLXFMCTHFWEAP-VXGBXAGGSA-N 1 2 234.299 1.093 40 0 BDABLO [NH3+]C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247716067 386730768 /nfs/dbraw/zinc/73/07/68/386730768.db2.gz NHLXFMCTHFWEAP-VXGBXAGGSA-N 1 2 234.299 1.093 40 0 BDABLO COC(=O)[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000141587822 387418932 /nfs/dbraw/zinc/41/89/32/387418932.db2.gz VQNGDZGGEIMHTE-QWHCGFSZSA-N 1 2 249.310 1.185 40 0 BDABLO COC(=O)[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC000141587822 387418937 /nfs/dbraw/zinc/41/89/37/387418937.db2.gz VQNGDZGGEIMHTE-QWHCGFSZSA-N 1 2 249.310 1.185 40 0 BDABLO [NH3+][C@H](c1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000095533460 388777728 /nfs/dbraw/zinc/77/77/28/388777728.db2.gz VZYLEESQEWWUKU-QWRGUYRKSA-N 1 2 244.298 1.704 40 0 BDABLO Clc1nccc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000044909389 132225276 /nfs/dbraw/zinc/22/52/76/132225276.db2.gz SMNCWOTZGAUGDJ-UHFFFAOYSA-N 1 2 235.678 1.416 40 0 BDABLO CC[N@H+]1Cc2c(Cn3cccc3)nn(C)c2C1 ZINC000096084473 170040888 /nfs/dbraw/zinc/04/08/88/170040888.db2.gz XDMXTKVWXFLSQY-UHFFFAOYSA-N 1 2 230.315 1.605 40 0 BDABLO CC[N@@H+]1Cc2c(Cn3cccc3)nn(C)c2C1 ZINC000096084473 170040889 /nfs/dbraw/zinc/04/08/89/170040889.db2.gz XDMXTKVWXFLSQY-UHFFFAOYSA-N 1 2 230.315 1.605 40 0 BDABLO CC[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000036644189 170131549 /nfs/dbraw/zinc/13/15/49/170131549.db2.gz GHZWIBAQIJKVNI-UHFFFAOYSA-N 1 2 209.274 1.094 40 0 BDABLO CCOC(=O)[C@@H]([NH3+])COCc1ccccc1 ZINC000034071343 170253510 /nfs/dbraw/zinc/25/35/10/170253510.db2.gz NQAGYKGGQHDABK-NSHDSACASA-N 1 2 223.272 1.094 40 0 BDABLO CCn1ncc(C[NH2+]Cc2ccnn2C)c1F ZINC000256055003 172255208 /nfs/dbraw/zinc/25/52/08/172255208.db2.gz YSTODBLDNMNGMG-UHFFFAOYSA-N 1 2 237.282 1.065 40 0 BDABLO COCCCn1c[nH+]c2ccc(N)cc21 ZINC000223767330 174267659 /nfs/dbraw/zinc/26/76/59/174267659.db2.gz LWXRIACKASBMOO-UHFFFAOYSA-N 1 2 205.261 1.655 40 0 BDABLO COc1cc2c(cc1O)C[C@H]1CC(=O)CC[N@@H+]1C2 ZINC000024717627 175023142 /nfs/dbraw/zinc/02/31/42/175023142.db2.gz JDDREZHWKGTQBD-NSHDSACASA-N 1 2 247.294 1.490 40 0 BDABLO COc1cc2c(cc1O)C[C@H]1CC(=O)CC[N@H+]1C2 ZINC000024717627 175023144 /nfs/dbraw/zinc/02/31/44/175023144.db2.gz JDDREZHWKGTQBD-NSHDSACASA-N 1 2 247.294 1.490 40 0 BDABLO COc1ccc(-n2nnnc2/C=C/[NH+](C)C)cc1 ZINC000055112159 175045445 /nfs/dbraw/zinc/04/54/45/175045445.db2.gz BLJHZKUBNIHGJT-CMDGGOBGSA-N 1 2 245.286 1.203 40 0 BDABLO COC(=O)[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000141587050 523790019 /nfs/dbraw/zinc/79/00/19/523790019.db2.gz VQNGDZGGEIMHTE-OLZOCXBDSA-N 1 2 249.310 1.185 40 0 BDABLO COC(=O)[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC000141587050 523790025 /nfs/dbraw/zinc/79/00/25/523790025.db2.gz VQNGDZGGEIMHTE-OLZOCXBDSA-N 1 2 249.310 1.185 40 0 BDABLO O[C@@]1(C(F)(F)F)CNc2[nH+]cccc21 ZINC000034883591 582523086 /nfs/dbraw/zinc/52/30/86/582523086.db2.gz IGFWDSXFKZETQZ-ZETCQYMHSA-N 1 2 204.151 1.257 40 0 BDABLO CN(C)c1[nH+]cnc2c1cnn2[C@H]1CCCCO1 ZINC000001676903 342708361 /nfs/dbraw/zinc/70/83/61/342708361.db2.gz MQVPOHUDBZNLDB-SNVBAGLBSA-N 1 2 247.302 1.591 40 0 BDABLO CNc1[nH+]cnc2c1cnn2[C@@H]1CCCCO1 ZINC000002045054 342715365 /nfs/dbraw/zinc/71/53/65/342715365.db2.gz XGECSNNACZFIHK-VIFPVBQESA-N 1 2 233.275 1.567 40 0 BDABLO COc1cc(CO)ccc1-n1c[nH+]c(C)c1 ZINC000016698217 342914487 /nfs/dbraw/zinc/91/44/87/342914487.db2.gz WJPVRAIPKWEAHT-UHFFFAOYSA-N 1 2 218.256 1.682 40 0 BDABLO COC(=O)[C@@H]([NH3+])c1c[nH]c2ccccc21 ZINC000022061415 343038007 /nfs/dbraw/zinc/03/80/07/343038007.db2.gz BFIGWERHCJBNBJ-JTQLQIEISA-N 1 2 204.229 1.341 40 0 in-vitro BDABLO CCCC12CN3C[N@H+](CC(CC)(C3)[C@@H]1O)C2 ZINC000024541304 347014437 /nfs/dbraw/zinc/01/44/37/347014437.db2.gz FQUHVUSZWVEWKW-HIFPTAJRSA-N 1 2 224.348 1.133 40 0 BDABLO CCCC12CN3C[N@@H+](CC(CC)(C3)[C@@H]1O)C2 ZINC000024541304 347014446 /nfs/dbraw/zinc/01/44/46/347014446.db2.gz FQUHVUSZWVEWKW-HIFPTAJRSA-N 1 2 224.348 1.133 40 0 BDABLO Cc1ccc2[nH+]c(N(C)C)nc(N)c2c1 ZINC000001595640 346450555 /nfs/dbraw/zinc/45/05/55/346450555.db2.gz ORVFJIHLKMCYEL-UHFFFAOYSA-N 1 2 202.261 1.586 40 0 BDABLO Cc1[nH+]c2ccccn2c1CC(=O)NCC1CC1 ZINC000257342966 180107281 /nfs/dbraw/zinc/10/72/81/180107281.db2.gz ZQUGHSONQKJTJS-UHFFFAOYSA-N 1 2 243.310 1.711 40 0 BDABLO Cc1nnc(-c2ccn3cc[nH+]c3c2)o1 ZINC000095618998 180396124 /nfs/dbraw/zinc/39/61/24/180396124.db2.gz ZNZAFCCRFOHMIJ-UHFFFAOYSA-N 1 2 200.201 1.693 40 0 BDABLO CC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000072381479 188306701 /nfs/dbraw/zinc/30/67/01/188306701.db2.gz KUJBJEXKGOAWTQ-GFCCVEGCSA-N 1 2 233.315 1.831 40 0 BDABLO Cc1nc([C@@H]2COCC[N@H+]2CC2CC2)cc(=O)[nH]1 ZINC000257277053 188369552 /nfs/dbraw/zinc/36/95/52/188369552.db2.gz NWGLGGJFDVGDLE-LBPRGKRZSA-N 1 2 249.314 1.274 40 0 BDABLO O=C(NCCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000006554021 182201316 /nfs/dbraw/zinc/20/13/16/182201316.db2.gz PBHJQIIPRKQOHS-UHFFFAOYSA-N 1 2 233.246 1.521 40 0 BDABLO O=C(NCCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000006554021 182201318 /nfs/dbraw/zinc/20/13/18/182201318.db2.gz PBHJQIIPRKQOHS-UHFFFAOYSA-N 1 2 233.246 1.521 40 0 BDABLO c1cnc(Nc2nccc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000072376728 384036410 /nfs/dbraw/zinc/03/64/10/384036410.db2.gz OFPHXKQIMWWCHC-SECBINFHSA-N 1 2 242.286 1.435 40 0 BDABLO Cn1cc[nH+]c1C[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000072383316 384220139 /nfs/dbraw/zinc/22/01/39/384220139.db2.gz DTSDKGMRJLOPNM-NSHDSACASA-N 1 2 249.358 1.857 40 0 BDABLO CCc1cc([NH3+])ccc1N1CCOCC1 ZINC000214747177 384622137 /nfs/dbraw/zinc/62/21/37/384622137.db2.gz RPPWMZDKLAXPTM-UHFFFAOYSA-N 1 2 206.289 1.668 40 0 BDABLO CCc1cc(=O)n2[nH]c([C@@H]3CCC[NH2+]C3)cc2n1 ZINC000100227220 384624334 /nfs/dbraw/zinc/62/43/34/384624334.db2.gz SGHDFLICDVKCCP-SECBINFHSA-N 1 2 246.314 1.464 40 0 BDABLO CCC[C@H](C(=O)OC)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022538698 384767384 /nfs/dbraw/zinc/76/73/84/384767384.db2.gz UYPJBOGWTMBELU-GARJFASQSA-N 1 2 229.320 1.437 40 0 BDABLO CNc1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072212569 385075308 /nfs/dbraw/zinc/07/53/08/385075308.db2.gz IKUIHEBCJCQYQH-LLVKDONJSA-N 1 2 219.288 1.807 40 0 BDABLO CN(C)c1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072212689 385079905 /nfs/dbraw/zinc/07/99/05/385079905.db2.gz GQJNWZDVGIZTTG-GFCCVEGCSA-N 1 2 233.315 1.831 40 0 BDABLO CNc1cc([C@@H]2CCN(C(C)=O)C2)[nH+]c(C)n1 ZINC000072187570 385042336 /nfs/dbraw/zinc/04/23/36/385042336.db2.gz HEHMYWKLHNXYLY-SNVBAGLBSA-N 1 2 234.303 1.163 40 0 BDABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000072187694 385045439 /nfs/dbraw/zinc/04/54/39/385045439.db2.gz LPDBHIPVMJNYAT-LLVKDONJSA-N 1 2 231.303 1.480 40 0 BDABLO Cc1cncc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257288706 385760163 /nfs/dbraw/zinc/76/01/63/385760163.db2.gz PVGFIIIZNUJULW-GFCCVEGCSA-N 1 2 243.314 1.845 40 0 BDABLO c1cc([C@H]2CCCC[N@H+]2Cc2cnccn2)n[nH]1 ZINC000257288646 385762552 /nfs/dbraw/zinc/76/25/52/385762552.db2.gz PVBMHRNSEPHENG-CYBMUJFWSA-N 1 2 243.314 1.927 40 0 BDABLO c1cc([C@H]2CCCC[N@@H+]2Cc2cnccn2)n[nH]1 ZINC000257288646 385762555 /nfs/dbraw/zinc/76/25/55/385762555.db2.gz PVBMHRNSEPHENG-CYBMUJFWSA-N 1 2 243.314 1.927 40 0 BDABLO Nc1cc(-n2cnnc2)ccc1[NH+]1CCCC1 ZINC000070461782 387067999 /nfs/dbraw/zinc/06/79/99/387067999.db2.gz NRDSYNNFTVIZHD-UHFFFAOYSA-N 1 2 229.287 1.450 40 0 BDABLO CC(C)n1nccc1C[NH2+]Cc1ccn(C)n1 ZINC000256052375 387861114 /nfs/dbraw/zinc/86/11/14/387861114.db2.gz NBNISAKAMYYBCH-UHFFFAOYSA-N 1 2 233.319 1.487 40 0 BDABLO O[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439112 388695795 /nfs/dbraw/zinc/69/57/95/388695795.db2.gz OWSZZEGXCVQSJM-SNVBAGLBSA-N 1 2 234.303 1.012 40 0 BDABLO O[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439112 388695798 /nfs/dbraw/zinc/69/57/98/388695798.db2.gz OWSZZEGXCVQSJM-SNVBAGLBSA-N 1 2 234.303 1.012 40 0 BDABLO O[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439109 388696460 /nfs/dbraw/zinc/69/64/60/388696460.db2.gz OWSZZEGXCVQSJM-JTQLQIEISA-N 1 2 234.303 1.012 40 0 BDABLO O[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439109 388696462 /nfs/dbraw/zinc/69/64/62/388696462.db2.gz OWSZZEGXCVQSJM-JTQLQIEISA-N 1 2 234.303 1.012 40 0 BDABLO COc1ccccc1[C@@H](CO)[NH+]1CCOCC1 ZINC000070453113 388729604 /nfs/dbraw/zinc/72/96/04/388729604.db2.gz ABHOCSFUKQYRNZ-GFCCVEGCSA-N 1 2 237.299 1.061 40 0 BDABLO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccn(C)n1 ZINC000256049601 398040575 /nfs/dbraw/zinc/04/05/75/398040575.db2.gz APOADOSVYOJZGY-LLVKDONJSA-N 1 2 247.346 1.877 40 0 BDABLO CCOC(=O)C(F)(F)[C@@H]1CCCC[NH2+]1 ZINC000217481744 170188173 /nfs/dbraw/zinc/18/81/73/170188173.db2.gz DPRKWWUURWTNPW-ZETCQYMHSA-N 1 2 207.220 1.327 40 0 BDABLO CC[C@](C)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000030769411 171698807 /nfs/dbraw/zinc/69/88/07/171698807.db2.gz ODBGTFLZFHGRPX-ONGXEEELSA-N 1 2 215.293 1.097 40 0 BDABLO C[N@H+](CCO)Cc1c(F)cccc1Cl ZINC000049633345 342673453 /nfs/dbraw/zinc/67/34/53/342673453.db2.gz FVXMORHPTJMSAR-UHFFFAOYSA-N 1 2 217.671 1.903 40 0 BDABLO C[N@@H+](CCO)Cc1c(F)cccc1Cl ZINC000049633345 342673455 /nfs/dbraw/zinc/67/34/55/342673455.db2.gz FVXMORHPTJMSAR-UHFFFAOYSA-N 1 2 217.671 1.903 40 0 BDABLO COc1ccc([C@]23CCC(=O)N2CCC[NH2+]3)cc1 ZINC000035572382 343298392 /nfs/dbraw/zinc/29/83/92/343298392.db2.gz GXSGJOLMGFVYKO-AWEZNQCLSA-N 1 2 246.310 1.464 40 0 BDABLO NNc1nc(-c2ccc(F)cc2)cc[nH+]1 ZINC000049474292 343599364 /nfs/dbraw/zinc/59/93/64/343599364.db2.gz BTTAGFMURJGQKE-UHFFFAOYSA-N 1 2 204.208 1.568 40 0 BDABLO OCc1c[nH+]cn1Cc1cc(F)ccc1F ZINC000085215863 344508352 /nfs/dbraw/zinc/50/83/52/344508352.db2.gz OQJKUBBMHHJACL-UHFFFAOYSA-N 1 2 224.210 1.702 40 0 BDABLO Cc1cnc(NC(=O)C[NH+]2CCCCC2)s1 ZINC000000411877 346418696 /nfs/dbraw/zinc/41/86/96/346418696.db2.gz UWZWKWMHJVGOJR-UHFFFAOYSA-N 1 2 239.344 1.876 40 0 BDABLO CCN1CC[NH+](Cc2ccc(C=O)cc2)CC1 ZINC000095738615 347122984 /nfs/dbraw/zinc/12/29/84/347122984.db2.gz NHJPADFEOVYQPI-UHFFFAOYSA-N 1 2 232.327 1.637 40 0 BDABLO CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[O-] ZINC000101677329 347287203 /nfs/dbraw/zinc/28/72/03/347287203.db2.gz BGVCLLPQIGTKJH-GHMZBOCLSA-N 1 2 228.336 1.312 40 0 BDABLO CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[O-] ZINC000101677329 347287206 /nfs/dbraw/zinc/28/72/06/347287206.db2.gz BGVCLLPQIGTKJH-GHMZBOCLSA-N 1 2 228.336 1.312 40 0 BDABLO Cc1[nH+]c2ccccn2c1CC(=O)NC1CCC1 ZINC000257268523 180106693 /nfs/dbraw/zinc/10/66/93/180106693.db2.gz MMCFMONSARTYOM-UHFFFAOYSA-N 1 2 243.310 1.854 40 0 BDABLO Cc1nccc([C@@H]2C[N@H+](CC3CC3)CCO2)n1 ZINC000072383325 180207203 /nfs/dbraw/zinc/20/72/03/180207203.db2.gz FCPDNPQHGXFYFP-ZDUSSCGKSA-N 1 2 233.315 1.568 40 0 BDABLO Cc1nccc([C@@H]2C[N@@H+](CC3CC3)CCO2)n1 ZINC000072383325 180207205 /nfs/dbraw/zinc/20/72/05/180207205.db2.gz FCPDNPQHGXFYFP-ZDUSSCGKSA-N 1 2 233.315 1.568 40 0 BDABLO C[NH+]1CC2(C1)C[C@H](OCc1ccncc1)CCO2 ZINC000248091185 188369525 /nfs/dbraw/zinc/36/95/25/188369525.db2.gz VIULDAIEGZAVJY-CYBMUJFWSA-N 1 2 248.326 1.461 40 0 BDABLO Cn1ccc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000020352523 357339497 /nfs/dbraw/zinc/33/94/97/357339497.db2.gz PTOSYGKHGUZQHU-UHFFFAOYSA-N 1 2 217.272 1.416 40 0 BDABLO Cc1c[nH]c([C@H]2CCN(C(=O)CC3CC3)C2)[nH+]1 ZINC000205694834 368358570 /nfs/dbraw/zinc/35/85/70/368358570.db2.gz QLFPFMAVWBWLTM-NSHDSACASA-N 1 2 233.315 1.834 40 0 BDABLO OCc1cn(-c2cc[nH+]c3ccccc32)nn1 ZINC000218798267 183169407 /nfs/dbraw/zinc/16/94/07/183169407.db2.gz IBWWCVXLHAWHMW-UHFFFAOYSA-N 1 2 226.239 1.308 40 0 BDABLO O[C@H]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000242548469 183203390 /nfs/dbraw/zinc/20/33/90/183203390.db2.gz LMLCZFZNGVNUFS-XYPYZODXSA-N 1 2 248.330 1.766 40 0 BDABLO O[C@H]1CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000242548469 183203391 /nfs/dbraw/zinc/20/33/91/183203391.db2.gz LMLCZFZNGVNUFS-XYPYZODXSA-N 1 2 248.330 1.766 40 0 BDABLO S=C(NCCc1c[nH+]c[nH]1)Nc1ccccc1 ZINC000013741790 183311256 /nfs/dbraw/zinc/31/12/56/183311256.db2.gz NNVUFANQSVXJJI-UHFFFAOYSA-N 1 2 246.339 1.939 40 0 BDABLO S=C(NCCc1c[nH]c[nH+]1)Nc1ccccc1 ZINC000013741790 183311258 /nfs/dbraw/zinc/31/12/58/183311258.db2.gz NNVUFANQSVXJJI-UHFFFAOYSA-N 1 2 246.339 1.939 40 0 BDABLO CCCn1nc(C)cc1C[NH2+]Cc1ccn(C)n1 ZINC000256054121 169624863 /nfs/dbraw/zinc/62/48/63/169624863.db2.gz UZQCOVQOOAZCLD-UHFFFAOYSA-N 1 2 247.346 1.625 40 0 BDABLO Cc1ccc2ncn(C[NH+]3CCOCC3)c2c1 ZINC000073634229 384025860 /nfs/dbraw/zinc/02/58/60/384025860.db2.gz HTJXIXAGFAVNLC-UHFFFAOYSA-N 1 2 231.299 1.634 40 0 BDABLO Cn1c(Br)cc2c[nH+]c(N)nc21 ZINC000238527891 384702784 /nfs/dbraw/zinc/70/27/84/384702784.db2.gz UUJPIMIBKTXJLU-UHFFFAOYSA-N 1 2 227.065 1.313 40 0 BDABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N ZINC000072212450 385075491 /nfs/dbraw/zinc/07/54/91/385075491.db2.gz PIORCWGHRNBLTK-LLVKDONJSA-N 1 2 219.288 1.737 40 0 BDABLO Nc1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072212449 385077072 /nfs/dbraw/zinc/07/70/72/385077072.db2.gz NGBLJXUHXDLBSC-SNVBAGLBSA-N 1 2 205.261 1.347 40 0 BDABLO CNc1[nH+]cc([C@H]2CCCN2C=O)cc1C ZINC000072218968 385103548 /nfs/dbraw/zinc/10/35/48/385103548.db2.gz RYQXTUCLEKPGFT-LLVKDONJSA-N 1 2 219.288 1.725 40 0 BDABLO Clc1ccc2c(c1)[C@]1(CO2)COCC[NH2+]1 ZINC000306145405 385995059 /nfs/dbraw/zinc/99/50/59/385995059.db2.gz DPTABJNENADCAF-LLVKDONJSA-N 1 2 225.675 1.548 40 0 BDABLO CCCC(=O)N1CC[C@@]2(Cc3[nH+]ccn3C2)C1 ZINC000306129812 385992219 /nfs/dbraw/zinc/99/22/19/385992219.db2.gz INOCSCAGHXXKSA-ZDUSSCGKSA-N 1 2 233.315 1.458 40 0 BDABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccccn3)C2)C1 ZINC000247958721 386737957 /nfs/dbraw/zinc/73/79/57/386737957.db2.gz PQIYTLICRPBMHP-CYBMUJFWSA-N 1 2 248.326 1.461 40 0 BDABLO Cn1ccc(C[NH2+]Cc2ccn(C(F)F)n2)n1 ZINC000256053639 387862640 /nfs/dbraw/zinc/86/26/40/387862640.db2.gz SFJIAALTYDCYNX-UHFFFAOYSA-N 1 2 241.245 1.302 40 0 BDABLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CC[NH2+]1 ZINC000217454717 388373957 /nfs/dbraw/zinc/37/39/57/388373957.db2.gz JTJHDIGEQRHIJX-NTSWFWBYSA-N 1 2 211.183 1.090 40 0 BDABLO CNc1nc(NCCOC)[nH+]c2ccccc21 ZINC000041146857 388432014 /nfs/dbraw/zinc/43/20/14/388432014.db2.gz PKIDMADDRUHDTB-UHFFFAOYSA-N 1 2 232.287 1.730 40 0 BDABLO CC(C)(C)OC(=O)[C@H]1C[C@H](OC(C)(C)C)C[NH2+]1 ZINC000082308271 388641282 /nfs/dbraw/zinc/64/12/82/388641282.db2.gz YXZJRETWUVFEFX-VHSXEESVSA-N 1 2 243.347 1.874 40 0 BDABLO NC(=O)c1c(N)[nH+]ccc1-c1ccccc1 ZINC000062716623 388655412 /nfs/dbraw/zinc/65/54/12/388655412.db2.gz BHVGGLDYRBWUQE-UHFFFAOYSA-N 1 2 213.240 1.430 40 0 BDABLO COCc1n[nH]c([C@H]([NH3+])c2cccc(OC)c2)n1 ZINC000095533560 388776361 /nfs/dbraw/zinc/77/63/61/388776361.db2.gz IUXITGJBGITYFB-LLVKDONJSA-N 1 2 248.286 1.008 40 0 BDABLO Nc1ccc(-c2ccc(CO)cc2)c[nH+]1 ZINC000095495487 388776737 /nfs/dbraw/zinc/77/67/37/388776737.db2.gz DVRXTKLRHYNYBN-UHFFFAOYSA-N 1 2 200.241 1.823 40 0 BDABLO Nc1cc(N2CCC[C@H](c3cc[nH]n3)C2)[nH+]cn1 ZINC000072357410 132396271 /nfs/dbraw/zinc/39/62/71/132396271.db2.gz OETUXFRXDXAAAI-VIFPVBQESA-N 1 2 244.302 1.166 40 0 BDABLO CCNC(=O)c1cc(C)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257271912 170100251 /nfs/dbraw/zinc/10/02/51/170100251.db2.gz NAHXXIRYHHINRK-NSHDSACASA-N 1 2 248.330 1.301 40 0 BDABLO CCNC(=O)c1cc(C)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257271912 170100253 /nfs/dbraw/zinc/10/02/53/170100253.db2.gz NAHXXIRYHHINRK-NSHDSACASA-N 1 2 248.330 1.301 40 0 BDABLO CCOC(=O)c1c(N)sc2c1C[N@H+](C)CC2 ZINC000019093851 170289334 /nfs/dbraw/zinc/28/93/34/170289334.db2.gz OSQUHBQRPLJHRB-UHFFFAOYSA-N 1 2 240.328 1.495 40 0 BDABLO CCOC(=O)c1c(N)sc2c1C[N@@H+](C)CC2 ZINC000019093851 170289336 /nfs/dbraw/zinc/28/93/36/170289336.db2.gz OSQUHBQRPLJHRB-UHFFFAOYSA-N 1 2 240.328 1.495 40 0 BDABLO CNc1nc(NC(C)C)cc(-c2ccncc2)[nH+]1 ZINC000328970339 173207806 /nfs/dbraw/zinc/20/78/06/173207806.db2.gz DJESDUUIFMCUKL-UHFFFAOYSA-N 1 2 243.314 1.244 40 0 BDABLO COc1cc2c(cc1O)C[N@@H+]1CCC(=O)C[C@@H]1C2 ZINC000024717618 175023198 /nfs/dbraw/zinc/02/31/98/175023198.db2.gz OKUPCJIUKDLYEZ-NSHDSACASA-N 1 2 247.294 1.490 40 0 BDABLO COc1cc2c(cc1O)C[N@H+]1CCC(=O)C[C@@H]1C2 ZINC000024717618 175023199 /nfs/dbraw/zinc/02/31/99/175023199.db2.gz OKUPCJIUKDLYEZ-NSHDSACASA-N 1 2 247.294 1.490 40 0 BDABLO COc1ccc([NH2+]C[C@H]2C[C@@H]2CO)cc1 ZINC000096509350 175151643 /nfs/dbraw/zinc/15/16/43/175151643.db2.gz YLWJAEIPDTYFCG-NXEZZACHSA-N 1 2 207.273 1.736 40 0 BDABLO COc1ccc2cn[nH+]c(N)c2c1OC ZINC000217582246 175226521 /nfs/dbraw/zinc/22/65/21/175226521.db2.gz AIOWVPQTTCSROO-UHFFFAOYSA-N 1 2 205.217 1.229 40 0 BDABLO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000054962066 176002322 /nfs/dbraw/zinc/00/23/22/176002322.db2.gz PPDIUNOGUIAFLV-RKDXNWHRSA-N 1 2 231.336 1.859 40 0 BDABLO CN(N)c1ccc(Br)c[nH+]1 ZINC000166336734 523621783 /nfs/dbraw/zinc/62/17/83/523621783.db2.gz POPOTUFOTXAOTB-UHFFFAOYSA-N 1 2 202.055 1.154 40 0 BDABLO COc1ccccc1C[NH2+]Cc1ccn(C)n1 ZINC000020349080 524488185 /nfs/dbraw/zinc/48/81/85/524488185.db2.gz AVKAJEMXALIMBR-UHFFFAOYSA-N 1 2 231.299 1.719 40 0 BDABLO CC(C)(C)OC(=O)N1C[C@@H]2CC([NH3+])=C[C@H]2C1 ZINC000265540564 534863159 /nfs/dbraw/zinc/86/31/59/534863159.db2.gz FQNLIKBCVNXITL-IUCAKERBSA-N 1 2 224.304 1.716 40 0 BDABLO Cc1cc(C)n(-c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000000167670 177919689 /nfs/dbraw/zinc/91/96/89/177919689.db2.gz ACNODOYOSGDNOD-UHFFFAOYSA-N 1 2 240.270 1.465 40 0 BDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C)O[C@@H]3C2)no1 ZINC000096100135 178003893 /nfs/dbraw/zinc/00/38/93/178003893.db2.gz YOSCCNPKSOEWCJ-SUZMYJTESA-N 1 2 236.315 1.982 40 0 BDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C)O[C@@H]3C2)no1 ZINC000096100135 178003895 /nfs/dbraw/zinc/00/38/95/178003895.db2.gz YOSCCNPKSOEWCJ-SUZMYJTESA-N 1 2 236.315 1.982 40 0 BDABLO CCOC(=O)c1cnc(C[NH+](C)C)nc1C ZINC000072221001 259319482 /nfs/dbraw/zinc/31/94/82/259319482.db2.gz VUIOYYOFNFLYGH-UHFFFAOYSA-N 1 2 223.276 1.023 40 0 BDABLO Nc1c[nH+]c(Br)c2c1NCCC2 ZINC000040165654 343397934 /nfs/dbraw/zinc/39/79/34/343397934.db2.gz XSUFMZDBVWRZPX-UHFFFAOYSA-N 1 2 228.093 1.784 40 0 BDABLO Cc1ccccc1Nc1cc(N)nc(N)[nH+]1 ZINC000001675995 179308566 /nfs/dbraw/zinc/30/85/66/179308566.db2.gz TWEYPGUWWFXHHV-UHFFFAOYSA-N 1 2 215.260 1.693 40 0 BDABLO Cc1ccccc1Nc1cc(N)[nH+]c(N)n1 ZINC000001675995 179308569 /nfs/dbraw/zinc/30/85/69/179308569.db2.gz TWEYPGUWWFXHHV-UHFFFAOYSA-N 1 2 215.260 1.693 40 0 BDABLO COC(=O)[C@H]([NH3+])CSC(=O)c1ccccc1 ZINC000031938543 350403252 /nfs/dbraw/zinc/40/32/52/350403252.db2.gz URMGJDUHFXBVIE-SECBINFHSA-N 1 2 239.296 1.060 40 0 BDABLO O=CN1CCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215909 259528042 /nfs/dbraw/zinc/52/80/42/259528042.db2.gz PGWURYVMGQRNBV-ZDUSSCGKSA-N 1 2 245.326 1.975 40 0 BDABLO C[C@@](O)(c1ccc[nH+]c1N)C(F)(F)F ZINC000256052419 370636912 /nfs/dbraw/zinc/63/69/12/370636912.db2.gz NEZGOTFPFFFGNB-SSDOTTSWSA-N 1 2 206.167 1.434 40 0 BDABLO O[C@H](Nc1cccc[nH+]1)c1cccnc1 ZINC000039377216 183228954 /nfs/dbraw/zinc/22/89/54/183228954.db2.gz KRYDIJGWLGVGCQ-NSHDSACASA-N 1 2 201.229 1.580 40 0 BDABLO O=c1c2c([nH]n1-c1ccccc1)C[NH2+]CC2 ZINC000110751859 183255866 /nfs/dbraw/zinc/25/58/66/183255866.db2.gz OLIRYRRWAHSDOH-UHFFFAOYSA-N 1 2 215.256 1.224 40 0 BDABLO CSc1nccnc1C[N@H+](CCO)C1CC1 ZINC000079425385 384146925 /nfs/dbraw/zinc/14/69/25/384146925.db2.gz NIAZUZJHTOYRHD-UHFFFAOYSA-N 1 2 239.344 1.155 40 0 BDABLO CSc1nccnc1C[N@@H+](CCO)C1CC1 ZINC000079425385 384146926 /nfs/dbraw/zinc/14/69/26/384146926.db2.gz NIAZUZJHTOYRHD-UHFFFAOYSA-N 1 2 239.344 1.155 40 0 BDABLO Cc1csc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072361158 384214751 /nfs/dbraw/zinc/21/47/51/384214751.db2.gz MZRNYJKUNDXVEC-MRVPVSSYSA-N 1 2 225.317 1.074 40 0 BDABLO Cc1csc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072361158 384214755 /nfs/dbraw/zinc/21/47/55/384214755.db2.gz MZRNYJKUNDXVEC-MRVPVSSYSA-N 1 2 225.317 1.074 40 0 BDABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000072381900 384216702 /nfs/dbraw/zinc/21/67/02/384216702.db2.gz BKYKJHFHQNOBFK-LBPRGKRZSA-N 1 2 231.303 1.480 40 0 BDABLO Cn1cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000072381900 384216709 /nfs/dbraw/zinc/21/67/09/384216709.db2.gz BKYKJHFHQNOBFK-LBPRGKRZSA-N 1 2 231.303 1.480 40 0 BDABLO CNc1ccc([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072212470 385074702 /nfs/dbraw/zinc/07/47/02/385074702.db2.gz VOLMXRSWWMQGJS-NSHDSACASA-N 1 2 219.288 1.807 40 0 BDABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N ZINC000072212411 385076709 /nfs/dbraw/zinc/07/67/09/385076709.db2.gz MJAKQUBJFUNTDO-SNVBAGLBSA-N 1 2 205.261 1.347 40 0 BDABLO C=Cc1ccc(N2CCN(C=O)CC2)[nH+]c1 ZINC000072225600 385126375 /nfs/dbraw/zinc/12/63/75/385126375.db2.gz NLHCOYBKWBJQDJ-UHFFFAOYSA-N 1 2 217.272 1.003 40 0 BDABLO Cc1cc([C@H]2CCCN2C=O)c[nH+]c1N(C)C ZINC000072218608 385099654 /nfs/dbraw/zinc/09/96/54/385099654.db2.gz WTHHWSCVNBTQRR-GFCCVEGCSA-N 1 2 233.315 1.749 40 0 BDABLO CC(C)(C)CC(C)(C)OC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000064219312 385246254 /nfs/dbraw/zinc/24/62/54/385246254.db2.gz WJWZAVFUZDCFEF-UWVGGRQHSA-N 1 2 243.347 1.467 40 0 BDABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257244976 385754964 /nfs/dbraw/zinc/75/49/64/385754964.db2.gz INOMQZGQWHZDCD-ZDUSSCGKSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257244976 385754969 /nfs/dbraw/zinc/75/49/69/385754969.db2.gz INOMQZGQWHZDCD-ZDUSSCGKSA-N 1 2 243.314 1.845 40 0 BDABLO c1cc([C@@H]2CCCC[N@H+]2Cc2cnccn2)n[nH]1 ZINC000257288647 385760790 /nfs/dbraw/zinc/76/07/90/385760790.db2.gz PVBMHRNSEPHENG-ZDUSSCGKSA-N 1 2 243.314 1.927 40 0 BDABLO c1cc([C@@H]2CCCC[N@@H+]2Cc2cnccn2)n[nH]1 ZINC000257288647 385760798 /nfs/dbraw/zinc/76/07/98/385760798.db2.gz PVBMHRNSEPHENG-ZDUSSCGKSA-N 1 2 243.314 1.927 40 0 BDABLO CC(C)n1ccc(C[NH2+]Cc2ccnn2C)n1 ZINC000085161555 387854448 /nfs/dbraw/zinc/85/44/48/387854448.db2.gz TXWHUSPZPHUASP-UHFFFAOYSA-N 1 2 233.319 1.487 40 0 BDABLO Cc1c(C[NH2+]Cc2ccn(C)n2)cnn1C(C)C ZINC000256050731 387858786 /nfs/dbraw/zinc/85/87/86/387858786.db2.gz GGXKPVTUVVPQSZ-UHFFFAOYSA-N 1 2 247.346 1.796 40 0 BDABLO CC(C)Nc1cc(N2CCC(O)CC2)nc[nH+]1 ZINC000079438800 388695731 /nfs/dbraw/zinc/69/57/31/388695731.db2.gz JURPFWGIXOZLPV-UHFFFAOYSA-N 1 2 236.319 1.258 40 0 BDABLO CC(C)Nc1cc(N2CCC(O)CC2)[nH+]cn1 ZINC000079438800 388695732 /nfs/dbraw/zinc/69/57/32/388695732.db2.gz JURPFWGIXOZLPV-UHFFFAOYSA-N 1 2 236.319 1.258 40 0 BDABLO OC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000070453091 388729649 /nfs/dbraw/zinc/72/96/49/388729649.db2.gz IHLGQOAUIZJICT-LBPRGKRZSA-N 1 2 225.263 1.191 40 0 BDABLO [NH3+][C@@H](c1nc([C@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000095533463 388776339 /nfs/dbraw/zinc/77/63/39/388776339.db2.gz VZYLEESQEWWUKU-GHMZBOCLSA-N 1 2 244.298 1.704 40 0 BDABLO [NH3+][C@H](c1nc([C@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000095533462 388776774 /nfs/dbraw/zinc/77/67/74/388776774.db2.gz VZYLEESQEWWUKU-MNOVXSKESA-N 1 2 244.298 1.704 40 0 BDABLO CC[C@H](C)n1nccc1C[NH2+]Cc1ccn(C)n1 ZINC000256049602 398040664 /nfs/dbraw/zinc/04/06/64/398040664.db2.gz APOADOSVYOJZGY-NSHDSACASA-N 1 2 247.346 1.877 40 0 BDABLO CCOC(=O)[C@H]([NH3+])c1ccncc1Cl ZINC000514251251 398041352 /nfs/dbraw/zinc/04/13/52/398041352.db2.gz UZBGFTWHGPPNLK-MRVPVSSYSA-N 1 2 214.652 1.298 40 0 BDABLO OC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000070453201 322905132 /nfs/dbraw/zinc/90/51/32/322905132.db2.gz UVAOJFZBLBCOTJ-VIFPVBQESA-N 1 2 213.302 1.114 40 0 BDABLO CCOC(=O)C(F)(F)[C@H]([NH3+])c1ccncc1 ZINC000199566760 170188256 /nfs/dbraw/zinc/18/82/56/170188256.db2.gz JTGOCCRNARPXKZ-MRVPVSSYSA-N 1 2 230.214 1.280 40 0 BDABLO CCOC(=O)[C@@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000049823000 170254808 /nfs/dbraw/zinc/25/48/08/170254808.db2.gz BZDYTLZSKRPSHV-VIFPVBQESA-N 1 2 229.663 1.609 40 0 BDABLO CCOCCCNC(=S)Nc1cc[nH+]cc1 ZINC000225178486 170379937 /nfs/dbraw/zinc/37/99/37/170379937.db2.gz RNUYPTVIRGHXPF-UHFFFAOYSA-N 1 2 239.344 1.795 40 0 BDABLO CCn1cc[nH+]c1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000072382076 172221227 /nfs/dbraw/zinc/22/12/27/172221227.db2.gz OERDSKSNCOXHLY-GFCCVEGCSA-N 1 2 245.330 1.963 40 0 BDABLO CN1CCN(C(=O)NC2CC2)Cc2ccc[nH+]c21 ZINC000096260840 173069708 /nfs/dbraw/zinc/06/97/08/173069708.db2.gz MWDDCKGNCSTJSS-UHFFFAOYSA-N 1 2 246.314 1.205 40 0 BDABLO C[N@H+]1Cc2c(Cl)c3c(cc2[C@@H](O)C1)OCO3 ZINC000261828275 173199974 /nfs/dbraw/zinc/19/99/74/173199974.db2.gz INNVKGALMDRDKL-QMMMGPOBSA-N 1 2 241.674 1.548 40 0 BDABLO C[N@@H+]1Cc2c(Cl)c3c(cc2[C@@H](O)C1)OCO3 ZINC000261828275 173199980 /nfs/dbraw/zinc/19/99/80/173199980.db2.gz INNVKGALMDRDKL-QMMMGPOBSA-N 1 2 241.674 1.548 40 0 BDABLO CCn1ccc(C[NH2+]Cc2cnn(C)c2C)n1 ZINC000020349822 523494366 /nfs/dbraw/zinc/49/43/66/523494366.db2.gz TXHMMIMICQAWFE-UHFFFAOYSA-N 1 2 233.319 1.235 40 0 BDABLO Cc1cc([C@@H]2CCNC(=O)C2)[nH+]c(C)c1N ZINC000199780666 178240488 /nfs/dbraw/zinc/24/04/88/178240488.db2.gz XBOLSUSKAKRKIQ-SECBINFHSA-N 1 2 219.288 1.274 40 0 BDABLO O=C(OCCn1cc[nH+]c1)c1ccccc1 ZINC000000002255 342669521 /nfs/dbraw/zinc/66/95/21/342669521.db2.gz DPTKNRPHFRFPCX-UHFFFAOYSA-N 1 2 216.240 1.740 40 0 in-man BDABLO O=C(CC[NH+]1CC1)NCCc1ccccc1 ZINC000001614947 342705993 /nfs/dbraw/zinc/70/59/93/342705993.db2.gz ULBUETRXKYIWHF-UHFFFAOYSA-N 1 2 218.300 1.051 40 0 BDABLO Cc1ccc(Nc2cc(N)nc(N)[nH+]2)cc1 ZINC000001681552 342708849 /nfs/dbraw/zinc/70/88/49/342708849.db2.gz RZDVQXUNQRCVOQ-UHFFFAOYSA-N 1 2 215.260 1.693 40 0 BDABLO C[NH+](C)[C@@]12CS(=O)(=O)[C@@H]1CCCCCC2 ZINC000005573252 342766324 /nfs/dbraw/zinc/76/63/24/342766324.db2.gz MFTJTAYYWXUIPR-MNOVXSKESA-N 1 2 231.361 1.438 40 0 BDABLO Cc1c[nH+]c(N)c(O)c1Br ZINC000021981837 343031699 /nfs/dbraw/zinc/03/16/99/343031699.db2.gz PIBDSARCRYMJRB-UHFFFAOYSA-N 1 2 203.039 1.440 40 0 BDABLO CN1C(=O)c2ccccc2[C@@]1([NH3+])c1ccccc1 ZINC000028471878 343129716 /nfs/dbraw/zinc/12/97/16/343129716.db2.gz UFKAZIHEPKPBQF-OAHLLOKOSA-N 1 2 238.290 1.932 40 0 in-vitro BDABLO CC[C@@H](O)CN(C)c1cn[nH+]c2ccccc21 ZINC000095097472 346968637 /nfs/dbraw/zinc/96/86/37/346968637.db2.gz HGBQAQIFEFQGJG-SNVBAGLBSA-N 1 2 231.299 1.837 40 0 BDABLO O=C1CC[C@@]2(c3ccc(F)cc3)[NH2+]CCCN12 ZINC000019947390 347517639 /nfs/dbraw/zinc/51/76/39/347517639.db2.gz HRLKQWPKFDELHH-CYBMUJFWSA-N 1 2 234.274 1.594 40 0 BDABLO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257294623 180120069 /nfs/dbraw/zinc/12/00/69/180120069.db2.gz QUYVWFZIEOQGIZ-CYBMUJFWSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1nc[nH]c1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC000257294623 180120071 /nfs/dbraw/zinc/12/00/71/180120071.db2.gz QUYVWFZIEOQGIZ-CYBMUJFWSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1nc(N2CCC[C@@H]2Cn2cccn2)cc[nH+]1 ZINC000072369061 188307327 /nfs/dbraw/zinc/30/73/27/188307327.db2.gz RSVNDMBPLUDBHN-GFCCVEGCSA-N 1 2 243.314 1.651 40 0 BDABLO CC(C)Cn1nccc1C[NH2+]Cc1ccn(C)n1 ZINC000256050529 188369336 /nfs/dbraw/zinc/36/93/36/188369336.db2.gz FJPRYGKMLWGRHA-UHFFFAOYSA-N 1 2 247.346 1.562 40 0 BDABLO [NH3+]CCCc1[nH]c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000021984698 181387326 /nfs/dbraw/zinc/38/73/26/181387326.db2.gz MOGGNXJLMQHAPC-UHFFFAOYSA-N 1 2 219.244 1.152 40 0 BDABLO O=c1cc(CO)occ1Oc1cc[nH+]cc1 ZINC000256050090 370635141 /nfs/dbraw/zinc/63/51/41/370635141.db2.gz CPILPMNENGANJA-UHFFFAOYSA-N 1 2 219.196 1.319 40 0 BDABLO O=C(NCCc1c[nH+]c[nH]1)OCc1ccccc1 ZINC000082092059 182212127 /nfs/dbraw/zinc/21/21/27/182212127.db2.gz PZYMWDPVQFBCDD-UHFFFAOYSA-N 1 2 245.282 1.879 40 0 BDABLO O=C(NCCc1c[nH]c[nH+]1)OCc1ccccc1 ZINC000082092059 182212129 /nfs/dbraw/zinc/21/21/29/182212129.db2.gz PZYMWDPVQFBCDD-UHFFFAOYSA-N 1 2 245.282 1.879 40 0 BDABLO CCCCn1nnn(Cc2ccccc2)c1=[NH2+] ZINC000031912107 169040271 /nfs/dbraw/zinc/04/02/71/169040271.db2.gz ACVIZWZHMFKTID-UHFFFAOYSA-N 1 2 231.303 1.407 40 0 BDABLO O[C@H](COC[C@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000027332975 183226531 /nfs/dbraw/zinc/22/65/31/183226531.db2.gz WLCNTRVFLVTYKG-STQMWFEESA-N 1 2 236.315 1.617 40 0 BDABLO Oc1cccn2c3cccnc3[s+]c12 ZINC000011535693 183286382 /nfs/dbraw/zinc/28/63/82/183286382.db2.gz DWENPELFTHYUGF-UHFFFAOYSA-O 1 2 203.246 1.741 40 0 BDABLO CCC[N@@H+]1CCO[C@@H]2c3cc(O)ccc3OC[C@@H]21 ZINC000026728775 169205837 /nfs/dbraw/zinc/20/58/37/169205837.db2.gz YOILXOMTHPUMRG-GXTWGEPZSA-N 1 2 249.310 1.937 40 0 in-vitro BDABLO CCC[N@H+]1CCO[C@@H]2c3cc(O)ccc3OC[C@@H]21 ZINC000026728775 169205838 /nfs/dbraw/zinc/20/58/38/169205838.db2.gz YOILXOMTHPUMRG-GXTWGEPZSA-N 1 2 249.310 1.937 40 0 in-vitro BDABLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)n1 ZINC000257235811 183360084 /nfs/dbraw/zinc/36/00/84/183360084.db2.gz GZPARSIZURAQAN-LLVKDONJSA-N 1 2 243.314 1.579 40 0 BDABLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)n1 ZINC000257235811 183360089 /nfs/dbraw/zinc/36/00/89/183360089.db2.gz GZPARSIZURAQAN-LLVKDONJSA-N 1 2 243.314 1.579 40 0 BDABLO c1ccc(C2([NH+]3CCOCC3)CSC2)cc1 ZINC000031760221 183388736 /nfs/dbraw/zinc/38/87/36/183388736.db2.gz VAMPPNWJBLPWSL-UHFFFAOYSA-N 1 2 235.352 1.961 40 0 BDABLO CC(C)[N@H+](CC(=O)[O-])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000083318596 384289848 /nfs/dbraw/zinc/28/98/48/384289848.db2.gz ZANVSWOMLJAJEM-NWDGAFQWSA-N 1 2 242.363 1.654 40 0 BDABLO CC(C)[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000083318596 384289857 /nfs/dbraw/zinc/28/98/57/384289857.db2.gz ZANVSWOMLJAJEM-NWDGAFQWSA-N 1 2 242.363 1.654 40 0 BDABLO CNc1ccc([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072212469 385076417 /nfs/dbraw/zinc/07/64/17/385076417.db2.gz VOLMXRSWWMQGJS-LLVKDONJSA-N 1 2 219.288 1.807 40 0 BDABLO CCC(=O)c1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223599 385115108 /nfs/dbraw/zinc/11/51/08/385115108.db2.gz IOYRPUKELPXTHW-UHFFFAOYSA-N 1 2 247.342 1.735 40 0 BDABLO CCC(=O)c1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224644 385120143 /nfs/dbraw/zinc/12/01/43/385120143.db2.gz FLHWDLAMWDDPES-UHFFFAOYSA-N 1 2 247.342 1.735 40 0 BDABLO CCCCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000006648434 385134028 /nfs/dbraw/zinc/13/40/28/385134028.db2.gz FAJGWWHGLHPZMH-UHFFFAOYSA-N 1 2 232.327 1.919 40 0 BDABLO CNC(=O)[C@@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257290756 385760313 /nfs/dbraw/zinc/76/03/13/385760313.db2.gz QEEUWTWTAVYQKJ-ZDUSSCGKSA-N 1 2 248.330 1.138 40 0 BDABLO CCNc1nc(NC)cc(-c2ccccc2)[nH+]1 ZINC000328963471 170041412 /nfs/dbraw/zinc/04/14/12/170041412.db2.gz BOMSGTLPRUQLAZ-UHFFFAOYSA-N 1 2 228.299 1.461 40 0 BDABLO CCOC(=[NH2+])CCN1C(=O)c2ccccc2C1=O ZINC000076494865 170180003 /nfs/dbraw/zinc/18/00/03/170180003.db2.gz MQHFZEZOPNBWMH-UHFFFAOYSA-N 1 2 246.266 1.686 40 0 BDABLO Cn1nc(N)cc1C[N@H+](C)CCC(F)(F)F ZINC000408715946 411866643 /nfs/dbraw/zinc/86/66/43/411866643.db2.gz HALXRGPOSRWFQO-UHFFFAOYSA-N 1 2 236.241 1.387 40 0 BDABLO Cn1nc(N)cc1C[N@@H+](C)CCC(F)(F)F ZINC000408715946 411866645 /nfs/dbraw/zinc/86/66/45/411866645.db2.gz HALXRGPOSRWFQO-UHFFFAOYSA-N 1 2 236.241 1.387 40 0 BDABLO CC[C@@](C)(C(=O)OC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123513 171164454 /nfs/dbraw/zinc/16/44/54/171164454.db2.gz IUOXSJDTMHVUNH-UMNHJUIQSA-N 1 2 229.320 1.437 40 0 BDABLO CC[C@@](C)(C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123513 171164455 /nfs/dbraw/zinc/16/44/55/171164455.db2.gz IUOXSJDTMHVUNH-UMNHJUIQSA-N 1 2 229.320 1.437 40 0 BDABLO CC[C@@](C)([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000030769408 171175900 /nfs/dbraw/zinc/17/59/00/171175900.db2.gz ODBGTFLZFHGRPX-GXSJLCMTSA-N 1 2 215.293 1.097 40 0 BDABLO CN1CC[NH+](Cc2cccc(C=O)c2)CC1 ZINC000019369502 173087453 /nfs/dbraw/zinc/08/74/53/173087453.db2.gz KKYYCUZQPBFXKD-UHFFFAOYSA-N 1 2 218.300 1.247 40 0 BDABLO C[N@H+]1Cc2c(Cl)c3c(cc2[C@H](O)C1)OCO3 ZINC000261828271 173200568 /nfs/dbraw/zinc/20/05/68/173200568.db2.gz INNVKGALMDRDKL-MRVPVSSYSA-N 1 2 241.674 1.548 40 0 BDABLO C[N@@H+]1Cc2c(Cl)c3c(cc2[C@H](O)C1)OCO3 ZINC000261828271 173200570 /nfs/dbraw/zinc/20/05/70/173200570.db2.gz INNVKGALMDRDKL-MRVPVSSYSA-N 1 2 241.674 1.548 40 0 BDABLO CNc1cc(-c2cccnc2)[nH+]c(NC(C)C)n1 ZINC000329010914 173208152 /nfs/dbraw/zinc/20/81/52/173208152.db2.gz MDLNPCLVOYWIAH-UHFFFAOYSA-N 1 2 243.314 1.244 40 0 BDABLO COc1ccc([NH2+]C[C@@H]2C[C@H]2CO)cc1 ZINC000096509351 175151285 /nfs/dbraw/zinc/15/12/85/175151285.db2.gz YLWJAEIPDTYFCG-UWVGGRQHSA-N 1 2 207.273 1.736 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2cnn(C)c2)n1 ZINC000020349834 521655595 /nfs/dbraw/zinc/65/55/95/521655595.db2.gz UYZGHTMKLFTMHZ-UHFFFAOYSA-N 1 2 233.319 1.316 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2cn(C)nc2C)n1 ZINC000020349851 521655928 /nfs/dbraw/zinc/65/59/28/521655928.db2.gz WFNYDRAMSNBVOA-UHFFFAOYSA-N 1 2 247.346 1.625 40 0 BDABLO CCc1[nH+]c(C(N)=S)c2ccccn21 ZINC000225744718 522183408 /nfs/dbraw/zinc/18/34/08/522183408.db2.gz OUKMDLYYCFFVFQ-UHFFFAOYSA-N 1 2 205.286 1.531 40 0 BDABLO COC(=O)c1cccc(-n2c[nH+]c(C)c2)c1 ZINC000139867666 522192107 /nfs/dbraw/zinc/19/21/07/522192107.db2.gz XADHIERRCYKPBO-UHFFFAOYSA-N 1 2 216.240 1.967 40 0 BDABLO Cc1c[nH]nc1[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000072381862 178118904 /nfs/dbraw/zinc/11/89/04/178118904.db2.gz SLOKPYSBEJYHJA-NSHDSACASA-N 1 2 243.314 1.810 40 0 BDABLO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]1CCO2 ZINC000074942107 398210601 /nfs/dbraw/zinc/21/06/01/398210601.db2.gz KIHFTERTCRBQJS-QWHCGFSZSA-N 1 2 231.295 1.476 40 0 BDABLO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]1CCO2 ZINC000074942107 398210606 /nfs/dbraw/zinc/21/06/06/398210606.db2.gz KIHFTERTCRBQJS-QWHCGFSZSA-N 1 2 231.295 1.476 40 0 BDABLO Cc1cc([C@H](CCO)C[C@H](C)O)cc[nH+]1 ZINC000008701052 178260980 /nfs/dbraw/zinc/26/09/80/178260980.db2.gz LIFCAEGXHCVVOE-CMPLNLGQSA-N 1 2 209.289 1.627 40 0 BDABLO CN(c1ccccc1)c1cc(N)[nH+]c(N)n1 ZINC000015881821 342902459 /nfs/dbraw/zinc/90/24/59/342902459.db2.gz ADSJGZZCGGWLFY-UHFFFAOYSA-N 1 2 215.260 1.409 40 0 BDABLO CC(C)(C)C(=O)NC(=S)NC1=[NH+]CCS1 ZINC000009140395 346714006 /nfs/dbraw/zinc/71/40/06/346714006.db2.gz SSHPSNZDYCLNLR-UHFFFAOYSA-N 1 2 245.373 1.126 40 0 BDABLO Cc1nccc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257321496 180208958 /nfs/dbraw/zinc/20/89/58/180208958.db2.gz WBXVXBDDMUCHIE-GFCCVEGCSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1nccc([C@H]2C[N@H+](CC3CC3)CCO2)n1 ZINC000072383326 180209132 /nfs/dbraw/zinc/20/91/32/180209132.db2.gz FCPDNPQHGXFYFP-CYBMUJFWSA-N 1 2 233.315 1.568 40 0 BDABLO Cc1nccc([C@H]2C[N@@H+](CC3CC3)CCO2)n1 ZINC000072383326 180209133 /nfs/dbraw/zinc/20/91/33/180209133.db2.gz FCPDNPQHGXFYFP-CYBMUJFWSA-N 1 2 233.315 1.568 40 0 BDABLO C[NH+](C)Cc1noc(N)c1Cc1ccccc1 ZINC000026512546 357164907 /nfs/dbraw/zinc/16/49/07/357164907.db2.gz SGVARFWYGPMUKL-UHFFFAOYSA-N 1 2 231.299 1.909 40 0 BDABLO Cn1ccc(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000020354197 357340643 /nfs/dbraw/zinc/34/06/43/357340643.db2.gz RBSABULGIABNLP-UHFFFAOYSA-N 1 2 237.253 1.988 40 0 BDABLO CC(C)(C)[NH2+]SC(=S)N1CCOCC1 ZINC000000027636 359614165 /nfs/dbraw/zinc/61/41/65/359614165.db2.gz SXJUCAYPPGXJEK-UHFFFAOYSA-N 1 2 234.390 1.640 40 0 BDABLO [NH3+]CC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000072226468 181397090 /nfs/dbraw/zinc/39/70/90/181397090.db2.gz VTJCBIIALKNPST-UHFFFAOYSA-N 1 2 248.248 1.676 40 0 BDABLO COC(=O)[C@@]1([NH3+])C[C@H]1c1c[nH]c2ccccc21 ZINC000218160283 372070981 /nfs/dbraw/zinc/07/09/81/372070981.db2.gz ZPFJLVMSVXBDKW-GXFFZTMASA-N 1 2 230.267 1.526 40 0 BDABLO OC1(O)CCCC[N@@H+]1Cc1ccccc1 ZINC000001581800 183022775 /nfs/dbraw/zinc/02/27/75/183022775.db2.gz BNDVGRBCEJVYRJ-UHFFFAOYSA-N 1 2 207.273 1.311 40 0 BDABLO OC1(O)CCCC[N@H+]1Cc1ccccc1 ZINC000001581800 183022776 /nfs/dbraw/zinc/02/27/76/183022776.db2.gz BNDVGRBCEJVYRJ-UHFFFAOYSA-N 1 2 207.273 1.311 40 0 BDABLO O[C@H](COC[C@@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000027332982 183226099 /nfs/dbraw/zinc/22/60/99/183226099.db2.gz WLCNTRVFLVTYKG-OLZOCXBDSA-N 1 2 236.315 1.617 40 0 BDABLO Nc1cc(N2CCC[C@@H]2c2cnccn2)[nH+]cn1 ZINC000072357412 384213186 /nfs/dbraw/zinc/21/31/86/384213186.db2.gz HBDRSCDNYUOKNY-SNVBAGLBSA-N 1 2 242.286 1.190 40 0 BDABLO CC(C)[N@H+](CC(=O)[O-])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000083318598 384290511 /nfs/dbraw/zinc/29/05/11/384290511.db2.gz ZANVSWOMLJAJEM-RYUDHWBXSA-N 1 2 242.363 1.654 40 0 BDABLO CC(C)[N@@H+](CC(=O)[O-])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000083318598 384290514 /nfs/dbraw/zinc/29/05/14/384290514.db2.gz ZANVSWOMLJAJEM-RYUDHWBXSA-N 1 2 242.363 1.654 40 0 BDABLO c1cn(CCn2cnc3ccccc32)c[nH+]1 ZINC000012942850 384344152 /nfs/dbraw/zinc/34/41/52/384344152.db2.gz SQHLVTLZGNYQEK-UHFFFAOYSA-N 1 2 212.256 1.933 40 0 BDABLO C[C@@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096045711 384426108 /nfs/dbraw/zinc/42/61/08/384426108.db2.gz LGASFMHHVGQNEX-KXUCPTDWSA-N 1 2 224.329 1.752 40 0 BDABLO C[C@@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096045711 384426113 /nfs/dbraw/zinc/42/61/13/384426113.db2.gz LGASFMHHVGQNEX-KXUCPTDWSA-N 1 2 224.329 1.752 40 0 BDABLO CC[C@@H](C)[N@@H+]1Cc2[nH]nc(C(=O)N(C)C)c2C1 ZINC000096187507 384443627 /nfs/dbraw/zinc/44/36/27/384443627.db2.gz PACWFAYQRNNDBF-MRVPVSSYSA-N 1 2 236.319 1.226 40 0 BDABLO CC[C@@H](C)[N@H+]1Cc2[nH]nc(C(=O)N(C)C)c2C1 ZINC000096187507 384443629 /nfs/dbraw/zinc/44/36/29/384443629.db2.gz PACWFAYQRNNDBF-MRVPVSSYSA-N 1 2 236.319 1.226 40 0 BDABLO [NH3+][C@@H](c1nnc[nH]1)c1ccc(Cl)cc1 ZINC000083746171 384859825 /nfs/dbraw/zinc/85/98/25/384859825.db2.gz JGXXNPGLAMJPTK-MRVPVSSYSA-N 1 2 208.652 1.506 40 0 BDABLO [NH3+][C@@H](c1nc[nH]n1)c1ccc(Cl)cc1 ZINC000083746171 384859831 /nfs/dbraw/zinc/85/98/31/384859831.db2.gz JGXXNPGLAMJPTK-MRVPVSSYSA-N 1 2 208.652 1.506 40 0 BDABLO CNc1[nH+]cccc1[C@@H]1CCCN1C=O ZINC000072212523 385074593 /nfs/dbraw/zinc/07/45/93/385074593.db2.gz FHSHWGXNNHVZDQ-JTQLQIEISA-N 1 2 205.261 1.417 40 0 BDABLO C=Cc1c[nH+]c(N2CCN(C=O)CC2)c(C)c1 ZINC000072222649 385112357 /nfs/dbraw/zinc/11/23/57/385112357.db2.gz GNAGKMAPTXPAQV-UHFFFAOYSA-N 1 2 231.299 1.311 40 0 BDABLO CCC[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000022538747 385920067 /nfs/dbraw/zinc/92/00/67/385920067.db2.gz LKSZPKHNCRYZMP-NXEZZACHSA-N 1 2 215.293 1.097 40 0 BDABLO Clc1ccc2c(c1)OC[C@]21COCC[NH2+]1 ZINC000306145720 385995264 /nfs/dbraw/zinc/99/52/64/385995264.db2.gz ONEDDHPOANBQNG-LLVKDONJSA-N 1 2 225.675 1.548 40 0 BDABLO FC1(F)CNCC[C@@H]1[NH+]1CCCCC1 ZINC000307278457 386780441 /nfs/dbraw/zinc/78/04/41/386780441.db2.gz UPDXYZUQHSQLGD-VIFPVBQESA-N 1 2 204.264 1.470 40 0 BDABLO FC1(F)C[NH2+]CC[C@@H]1N1CCCCC1 ZINC000307278457 386780448 /nfs/dbraw/zinc/78/04/48/386780448.db2.gz UPDXYZUQHSQLGD-VIFPVBQESA-N 1 2 204.264 1.470 40 0 BDABLO COc1cccc([C@H](CO)[NH+]2CCOCC2)c1 ZINC000070453143 322904941 /nfs/dbraw/zinc/90/49/41/322904941.db2.gz AJBIJPQJBZBKHW-ZDUSSCGKSA-N 1 2 237.299 1.061 40 0 BDABLO CC(C)n1ccc(C[NH2+]Cc2cnn(C)c2)n1 ZINC000083683366 167761160 /nfs/dbraw/zinc/76/11/60/167761160.db2.gz PALOYDDJWBNEJP-UHFFFAOYSA-N 1 2 233.319 1.487 40 0 BDABLO CC1=C[C@H](O)Nc2[nH+]c3ccccc3n21 ZINC000096372329 168131800 /nfs/dbraw/zinc/13/18/00/168131800.db2.gz DVUJWYXJPMBNLZ-JTQLQIEISA-N 1 2 201.229 1.641 40 0 BDABLO CCNc1cc(-c2ccccc2)[nH+]c(NC)n1 ZINC000329010209 170041299 /nfs/dbraw/zinc/04/12/99/170041299.db2.gz LZZLTDZQPWJAGS-UHFFFAOYSA-N 1 2 228.299 1.461 40 0 BDABLO CC[C@H](C(=O)OC)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022123231 171241381 /nfs/dbraw/zinc/24/13/81/171241381.db2.gz KKMJLMSDDAULKG-LPEHRKFASA-N 1 2 215.293 1.047 40 0 BDABLO CCn1ccc(C[NH2+]Cc2cc(C)nn2C)n1 ZINC000256054417 172200834 /nfs/dbraw/zinc/20/08/34/172200834.db2.gz WEKUHJYLSUMVKA-UHFFFAOYSA-N 1 2 233.319 1.235 40 0 BDABLO CCn1ccc(C[NH2+]Cc2c(C)cnn2C)n1 ZINC000256051396 172201540 /nfs/dbraw/zinc/20/15/40/172201540.db2.gz IZZRKOKWRPOLDB-UHFFFAOYSA-N 1 2 233.319 1.235 40 0 BDABLO CNc1cc(CC2CCN(C(C)=O)CC2)[nH+]cn1 ZINC000072370191 173474280 /nfs/dbraw/zinc/47/42/80/173474280.db2.gz ABPJCQGQGSQHFD-UHFFFAOYSA-N 1 2 248.330 1.319 40 0 BDABLO C[C@H](c1nccs1)[N@H+](CCO)C1CC1 ZINC000079436092 177053743 /nfs/dbraw/zinc/05/37/43/177053743.db2.gz DPDAHPFTWLGWBK-MRVPVSSYSA-N 1 2 212.318 1.661 40 0 BDABLO C[C@H](c1nccs1)[N@@H+](CCO)C1CC1 ZINC000079436092 177053745 /nfs/dbraw/zinc/05/37/45/177053745.db2.gz DPDAHPFTWLGWBK-MRVPVSSYSA-N 1 2 212.318 1.661 40 0 BDABLO NC(=[NH2+])c1cc(Br)ccc1O ZINC000084296291 526819730 /nfs/dbraw/zinc/81/97/30/526819730.db2.gz MREGUZDZPWXJTK-UHFFFAOYSA-N 1 2 215.050 1.439 40 0 BDABLO Cc1ccc(-n2nnnc2/C=C/[NH+](C)C)cc1 ZINC000055112157 178351358 /nfs/dbraw/zinc/35/13/58/178351358.db2.gz SSWJWJCISJSIKK-CMDGGOBGSA-N 1 2 229.287 1.503 40 0 BDABLO CCCCCNc1[nH+]cnc2c1cnn2C ZINC000001562361 342703204 /nfs/dbraw/zinc/70/32/04/342703204.db2.gz JUXQDEWLGHBRQT-UHFFFAOYSA-N 1 2 219.292 1.965 40 0 BDABLO O=CN1CCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213765 259318153 /nfs/dbraw/zinc/31/81/53/259318153.db2.gz CSYGEFLLWIRFNU-LBPRGKRZSA-N 1 2 231.299 1.949 40 0 BDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](CO)C1 ZINC000043220323 342790946 /nfs/dbraw/zinc/79/09/46/342790946.db2.gz MJDGWLBJHFHHDI-NSHDSACASA-N 1 2 245.326 1.782 40 0 BDABLO O=C(c1ccccc1)[C@@H](O)n1cc[nH+]c1 ZINC000013207570 342864871 /nfs/dbraw/zinc/86/48/71/342864871.db2.gz WWULMBKBWNVCGO-LLVKDONJSA-N 1 2 202.213 1.257 40 0 BDABLO Cc1cc(CN2C(=O)CCC2=O)cc(C)[nH+]1 ZINC000013234331 342865171 /nfs/dbraw/zinc/86/51/71/342865171.db2.gz KVBPWKAYGOXUMX-UHFFFAOYSA-N 1 2 218.256 1.347 40 0 BDABLO CCCCCCn1ncc2c1nc[nH+]c2N ZINC000001562360 346447926 /nfs/dbraw/zinc/44/79/26/346447926.db2.gz XCZQZSSBCJSMAV-UHFFFAOYSA-N 1 2 219.292 1.989 40 0 BDABLO Nc1cc(Nc2ccccc2)nc(N)[nH+]1 ZINC000015884414 347138420 /nfs/dbraw/zinc/13/84/20/347138420.db2.gz XWBNHTPDQLDGES-UHFFFAOYSA-N 1 2 201.233 1.385 40 0 BDABLO Nc1cc(Nc2ccccc2)[nH+]c(N)n1 ZINC000015884414 347138423 /nfs/dbraw/zinc/13/84/23/347138423.db2.gz XWBNHTPDQLDGES-UHFFFAOYSA-N 1 2 201.233 1.385 40 0 BDABLO CN(C)C(=S)SNCCc1c[nH]c[nH+]1 ZINC000006564848 349336102 /nfs/dbraw/zinc/33/61/02/349336102.db2.gz VZBOPLUHJIXEMP-UHFFFAOYSA-N 1 2 230.362 1.037 40 0 BDABLO CN(C)C(=S)SNCCc1c[nH+]c[nH]1 ZINC000006564848 349336106 /nfs/dbraw/zinc/33/61/06/349336106.db2.gz VZBOPLUHJIXEMP-UHFFFAOYSA-N 1 2 230.362 1.037 40 0 BDABLO Nc1[nH]c(C(F)(F)F)c([C@@H](O)C(F)(F)F)[nH+]1 ZINC000044137469 363151428 /nfs/dbraw/zinc/15/14/28/363151428.db2.gz ZFYGWMGIWKVLRD-GSVOUGTGSA-N 1 2 249.114 1.606 40 0 BDABLO O=C1CC[NH2+][C@@H](c2ccc(Cl)cc2)N1 ZINC000211332690 357171869 /nfs/dbraw/zinc/17/18/69/357171869.db2.gz GIJQJKQIAQZTQF-SNVBAGLBSA-N 1 2 210.664 1.448 40 0 BDABLO CC[C@@H](O)c1ccc(N2CCOCC2)[nH+]c1C ZINC000072224598 259532186 /nfs/dbraw/zinc/53/21/86/259532186.db2.gz KBBWWHUUOPPAJS-GFCCVEGCSA-N 1 2 236.315 1.670 40 0 BDABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2C)cc1 ZINC000205703605 368359563 /nfs/dbraw/zinc/35/95/63/368359563.db2.gz MEACSYAMQNMVFY-AWEZNQCLSA-N 1 2 248.326 1.530 40 0 BDABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2C)cc1 ZINC000205703605 368359567 /nfs/dbraw/zinc/35/95/67/368359567.db2.gz MEACSYAMQNMVFY-AWEZNQCLSA-N 1 2 248.326 1.530 40 0 BDABLO Nc1ccc([NH+]2CCCC2)c(C(=O)NC2CC2)c1 ZINC000035703671 181712799 /nfs/dbraw/zinc/71/27/99/181712799.db2.gz YZALEHBMSXAFHQ-UHFFFAOYSA-N 1 2 245.326 1.761 40 0 BDABLO CCC[N@@H+]1CCO[C@H]2c3cc(O)ccc3OC[C@H]21 ZINC000027437184 169204074 /nfs/dbraw/zinc/20/40/74/169204074.db2.gz YOILXOMTHPUMRG-OCCSQVGLSA-N 1 2 249.310 1.937 40 0 in-vitro BDABLO CCC[N@H+]1CCO[C@H]2c3cc(O)ccc3OC[C@H]21 ZINC000027437184 169204075 /nfs/dbraw/zinc/20/40/75/169204075.db2.gz YOILXOMTHPUMRG-OCCSQVGLSA-N 1 2 249.310 1.937 40 0 in-vitro BDABLO Cc1csc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072361157 384214909 /nfs/dbraw/zinc/21/49/09/384214909.db2.gz MZRNYJKUNDXVEC-QMMMGPOBSA-N 1 2 225.317 1.074 40 0 BDABLO Cc1csc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072361157 384214914 /nfs/dbraw/zinc/21/49/14/384214914.db2.gz MZRNYJKUNDXVEC-QMMMGPOBSA-N 1 2 225.317 1.074 40 0 BDABLO O=C1N[C@@H](Cn2cc[nH+]c2)COc2ccccc21 ZINC000019374613 384519001 /nfs/dbraw/zinc/51/90/01/384519001.db2.gz CVZCLORFGJGOQQ-JTQLQIEISA-N 1 2 243.266 1.074 40 0 BDABLO CCC[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)OC ZINC000022538740 384767494 /nfs/dbraw/zinc/76/74/94/384767494.db2.gz LKSZPKHNCRYZMP-VHSXEESVSA-N 1 2 215.293 1.097 40 0 BDABLO CC(C)[C@H]([NH3+])c1nc(-c2cccc(O)c2)n[nH]1 ZINC000095534720 385045748 /nfs/dbraw/zinc/04/57/48/385045748.db2.gz VRURVAHYTDLBFK-JTQLQIEISA-N 1 2 232.287 1.833 40 0 BDABLO C=Cc1c[nH+]c(N2CCN(C(C)=O)CC2)c(C)c1 ZINC000072222701 385113515 /nfs/dbraw/zinc/11/35/15/385113515.db2.gz RRAVKUYWIRSPBF-UHFFFAOYSA-N 1 2 245.326 1.702 40 0 BDABLO CC[C@H](O)c1ccc(N2CCOCC2)[nH+]c1C ZINC000072224597 385117992 /nfs/dbraw/zinc/11/79/92/385117992.db2.gz KBBWWHUUOPPAJS-LBPRGKRZSA-N 1 2 236.315 1.670 40 0 BDABLO Oc1c[nH+]c(C2CC2)nc1N1CCCC1 ZINC000396174963 385329655 /nfs/dbraw/zinc/32/96/55/385329655.db2.gz LKUGILVXOXBYAC-UHFFFAOYSA-N 1 2 205.261 1.660 40 0 BDABLO Clc1ccc2c(c1)[C@@]1(CO2)COCC[NH2+]1 ZINC000306145406 385995524 /nfs/dbraw/zinc/99/55/24/385995524.db2.gz DPTABJNENADCAF-NSHDSACASA-N 1 2 225.675 1.548 40 0 BDABLO C[NH2+][C@@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869962 386105302 /nfs/dbraw/zinc/10/53/02/386105302.db2.gz MPMTYZMURYBDCD-MRVPVSSYSA-N 1 2 216.643 1.225 40 0 BDABLO [NH3+]C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247716065 386729745 /nfs/dbraw/zinc/72/97/45/386729745.db2.gz NHLXFMCTHFWEAP-NEPJUHHUSA-N 1 2 234.299 1.093 40 0 BDABLO [NH3+]C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247716065 386729749 /nfs/dbraw/zinc/72/97/49/386729749.db2.gz NHLXFMCTHFWEAP-NEPJUHHUSA-N 1 2 234.299 1.093 40 0 BDABLO CC[NH+](CC)c1ccc(-n2cnnc2)cc1N ZINC000070461779 387068280 /nfs/dbraw/zinc/06/82/80/387068280.db2.gz ZXEQCIGBARBBEH-UHFFFAOYSA-N 1 2 231.303 1.696 40 0 BDABLO CCCn1cc(C[NH2+]Cc2ccn(C)n2)cn1 ZINC000231608779 387856377 /nfs/dbraw/zinc/85/63/77/387856377.db2.gz CRZFIFBDBGKSPS-UHFFFAOYSA-N 1 2 233.319 1.316 40 0 BDABLO CCCn1cc(C[NH2+]Cc2ccn(CC)n2)cn1 ZINC000256051288 387859449 /nfs/dbraw/zinc/85/94/49/387859449.db2.gz INTZKFCPYUPGBS-UHFFFAOYSA-N 1 2 247.346 1.799 40 0 BDABLO O=C(C[N@H+]1CCC[C@H](CO)C1)c1cccs1 ZINC000050132058 387883727 /nfs/dbraw/zinc/88/37/27/387883727.db2.gz USBTXMRWROETNS-JTQLQIEISA-N 1 2 239.340 1.635 40 0 BDABLO O=C(C[N@@H+]1CCC[C@H](CO)C1)c1cccs1 ZINC000050132058 387883732 /nfs/dbraw/zinc/88/37/32/387883732.db2.gz USBTXMRWROETNS-JTQLQIEISA-N 1 2 239.340 1.635 40 0 BDABLO Cc1[nH]n(-c2ccccc2)c(=O)c1C[NH+](C)C ZINC000016607815 168135049 /nfs/dbraw/zinc/13/50/49/168135049.db2.gz QNYNDQFPMPQKMZ-LBPRGKRZSA-N 1 2 231.299 1.587 40 0 BDABLO CNc1cc(-c2ccncc2)[nH+]c(NC(C)C)n1 ZINC000328977640 173207956 /nfs/dbraw/zinc/20/79/56/173207956.db2.gz FUIXEMYSKAVFNB-UHFFFAOYSA-N 1 2 243.314 1.244 40 0 BDABLO CNc1cc([C@@H]2CCCN(C(C)=O)C2)cc[nH+]1 ZINC000257235910 173474726 /nfs/dbraw/zinc/47/47/26/173474726.db2.gz HABKLKAWWXFYGN-GFCCVEGCSA-N 1 2 233.315 1.849 40 0 BDABLO COC(=O)[C@@H]([NH3+])CSC(=O)c1ccccc1 ZINC000031938540 173706054 /nfs/dbraw/zinc/70/60/54/173706054.db2.gz URMGJDUHFXBVIE-VIFPVBQESA-N 1 2 239.296 1.060 40 0 BDABLO COc1ccc(-c2cc[nH+]c(NN)n2)cc1 ZINC000012395009 175035633 /nfs/dbraw/zinc/03/56/33/175035633.db2.gz UPTIEYGMZVWKBZ-UHFFFAOYSA-N 1 2 216.244 1.438 40 0 BDABLO Nc1nc2[nH]c(Br)cc2c[nH+]1 ZINC000108328518 487873583 /nfs/dbraw/zinc/87/35/83/487873583.db2.gz YWDKUALNKQRLGD-UHFFFAOYSA-N 1 2 213.038 1.303 40 0 BDABLO CCn1ccc(C[NH2+]Cc2cn(CC)nc2C)n1 ZINC000020349824 523492997 /nfs/dbraw/zinc/49/29/97/523492997.db2.gz FPANGCQAYZTJLG-UHFFFAOYSA-N 1 2 247.346 1.718 40 0 BDABLO CCn1ccc(C[NH2+]Cc2ccnn2CC)n1 ZINC000020349827 523493390 /nfs/dbraw/zinc/49/33/90/523493390.db2.gz XAWZXHOJKQOJEL-UHFFFAOYSA-N 1 2 233.319 1.409 40 0 BDABLO Cc1cc(N2CCC[C@@H]2c2cc[nH]n2)nc[nH+]1 ZINC000072357276 178114780 /nfs/dbraw/zinc/11/47/80/178114780.db2.gz CFODEXTUBJPMON-LLVKDONJSA-N 1 2 229.287 1.850 40 0 BDABLO Cc1cc(=O)n2[nH]c([C@@H]3CCC[NH2+]C3)cc2n1 ZINC000100227206 178201817 /nfs/dbraw/zinc/20/18/17/178201817.db2.gz LWLPGCHQVFOCGM-SECBINFHSA-N 1 2 232.287 1.210 40 0 BDABLO OC[C@H](c1ccccc1F)[NH+]1CCOCC1 ZINC000070452928 259313462 /nfs/dbraw/zinc/31/34/62/259313462.db2.gz AKWOYAPQBPNVLI-GFCCVEGCSA-N 1 2 225.263 1.191 40 0 BDABLO CNc1ccc([C@H]2CCCN2C=O)c[nH+]1 ZINC000072212464 259317269 /nfs/dbraw/zinc/31/72/69/259317269.db2.gz NCXSTDMNNFEJAL-SNVBAGLBSA-N 1 2 205.261 1.417 40 0 BDABLO Nc1nc(N)c(-c2ccc(Cl)cc2)c(C=O)[nH+]1 ZINC000001698177 342710020 /nfs/dbraw/zinc/71/00/20/342710020.db2.gz GISMZVDPMITXFT-UHFFFAOYSA-N 1 2 248.673 1.774 40 0 BDABLO COc1c2c(c(C=O)c3c1C[N@H+](C)CC3)OCO2 ZINC000021948328 343814383 /nfs/dbraw/zinc/81/43/83/343814383.db2.gz FPWJOJLYHJQBGB-UHFFFAOYSA-N 1 2 249.266 1.224 40 0 BDABLO COc1c2c(c(C=O)c3c1C[N@@H+](C)CC3)OCO2 ZINC000021948328 343814385 /nfs/dbraw/zinc/81/43/85/343814385.db2.gz FPWJOJLYHJQBGB-UHFFFAOYSA-N 1 2 249.266 1.224 40 0 BDABLO C[N@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000041392700 351028255 /nfs/dbraw/zinc/02/82/55/351028255.db2.gz RMIUXTCEJDDMHE-GFCCVEGCSA-N 1 2 239.340 1.306 40 0 BDABLO C[N@@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000041392700 351028257 /nfs/dbraw/zinc/02/82/57/351028257.db2.gz RMIUXTCEJDDMHE-GFCCVEGCSA-N 1 2 239.340 1.306 40 0 BDABLO O=CN1CCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215969 259528265 /nfs/dbraw/zinc/52/82/65/259528265.db2.gz VCXVYGCFGDPJBU-ZDUSSCGKSA-N 1 2 245.326 1.975 40 0 BDABLO OCC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000336531285 183076015 /nfs/dbraw/zinc/07/60/15/183076015.db2.gz NMOLRGNCKSTSOI-UHFFFAOYSA-N 1 2 211.236 1.012 40 0 BDABLO OCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000336531285 183076016 /nfs/dbraw/zinc/07/60/16/183076016.db2.gz NMOLRGNCKSTSOI-UHFFFAOYSA-N 1 2 211.236 1.012 40 0 BDABLO c1cc([C@@H]2CC[N@@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187722 183345510 /nfs/dbraw/zinc/34/55/10/183345510.db2.gz AYDGUHQZRVTPBJ-GFCCVEGCSA-N 1 2 228.299 1.794 40 0 BDABLO c1cc([C@@H]2CC[N@H+](Cc3ccncc3)C2)[nH]n1 ZINC000072187722 183345511 /nfs/dbraw/zinc/34/55/11/183345511.db2.gz AYDGUHQZRVTPBJ-GFCCVEGCSA-N 1 2 228.299 1.794 40 0 BDABLO c1cc([C@H]2COCC[N@H+]2CC2CCC2)n[nH]1 ZINC000257343661 183364446 /nfs/dbraw/zinc/36/44/46/183364446.db2.gz ZTXLLSQBTWBUMN-GFCCVEGCSA-N 1 2 221.304 1.583 40 0 BDABLO c1cc([C@H]2COCC[N@@H+]2CC2CCC2)n[nH]1 ZINC000257343661 183364450 /nfs/dbraw/zinc/36/44/50/183364450.db2.gz ZTXLLSQBTWBUMN-GFCCVEGCSA-N 1 2 221.304 1.583 40 0 BDABLO c1cnc(Nc2nccc([C@@H]3CC[NH2+]C3)n2)nc1 ZINC000072354552 383836620 /nfs/dbraw/zinc/83/66/20/383836620.db2.gz NNGLQWJWTICHTA-SECBINFHSA-N 1 2 242.286 1.087 40 0 BDABLO Cc1[nH+]c2cc(NC(=O)N(C)C)ccc2n1C ZINC000082351337 384223136 /nfs/dbraw/zinc/22/31/36/384223136.db2.gz OVXHXHLAKBQXQZ-UHFFFAOYSA-N 1 2 232.287 1.975 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000096041394 384426323 /nfs/dbraw/zinc/42/63/23/384426323.db2.gz FOQIRWRTPLHFLG-BFHYXJOUSA-N 1 2 248.326 1.460 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000096041394 384426328 /nfs/dbraw/zinc/42/63/28/384426328.db2.gz FOQIRWRTPLHFLG-BFHYXJOUSA-N 1 2 248.326 1.460 40 0 BDABLO [NH3+][C@H](C(=O)[O-])[C@@H](Cc1ccccc1)c1c[nH+]c[nH]1 ZINC000026892248 384885062 /nfs/dbraw/zinc/88/50/62/384885062.db2.gz UDRASQJARDGTGR-JQWIXIFHSA-N 1 2 245.282 1.148 40 0 BDABLO O=CN1CCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215910 385095213 /nfs/dbraw/zinc/09/52/13/385095213.db2.gz PGWURYVMGQRNBV-CYBMUJFWSA-N 1 2 245.326 1.975 40 0 BDABLO C[NH+](C)Cc1nccc(C(F)(F)F)n1 ZINC000085397216 385162632 /nfs/dbraw/zinc/16/26/32/385162632.db2.gz XHRTYXOUYBSLQK-UHFFFAOYSA-N 1 2 205.183 1.557 40 0 BDABLO Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000034480906 385282494 /nfs/dbraw/zinc/28/24/94/385282494.db2.gz GNIUIUYPKHPFMC-UHFFFAOYSA-N 1 2 201.151 1.987 40 0 BDABLO CNc1cc([C@H]2CCCN(C(C)=O)C2)cc[nH+]1 ZINC000257235911 385754489 /nfs/dbraw/zinc/75/44/89/385754489.db2.gz HABKLKAWWXFYGN-LBPRGKRZSA-N 1 2 233.315 1.849 40 0 BDABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257244975 385754688 /nfs/dbraw/zinc/75/46/88/385754688.db2.gz INOMQZGQWHZDCD-CYBMUJFWSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257244975 385754693 /nfs/dbraw/zinc/75/46/93/385754693.db2.gz INOMQZGQWHZDCD-CYBMUJFWSA-N 1 2 243.314 1.845 40 0 BDABLO C[NH2+][C@@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000037869856 386105179 /nfs/dbraw/zinc/10/51/79/386105179.db2.gz OQMLFVWMNDTEMB-MRVPVSSYSA-N 1 2 233.098 1.739 40 0 BDABLO O=C(C=Cc1ccccc1)NCCc1c[nH+]c[nH]1 ZINC000004880325 386702125 /nfs/dbraw/zinc/70/21/25/386702125.db2.gz HCENGXRZXKAJLN-SREVYHEPSA-N 1 2 241.294 1.782 40 0 BDABLO O=C(C=Cc1ccccc1)NCCc1c[nH]c[nH+]1 ZINC000004880325 386702133 /nfs/dbraw/zinc/70/21/33/386702133.db2.gz HCENGXRZXKAJLN-SREVYHEPSA-N 1 2 241.294 1.782 40 0 BDABLO Cn1nccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256053236 387861371 /nfs/dbraw/zinc/86/13/71/387861371.db2.gz QPUMRHLGRYIBHR-UHFFFAOYSA-N 1 2 241.245 1.302 40 0 BDABLO Nc1c(N2CCCC2)nc[nH+]c1N1CCCCC1 ZINC000040724200 132348512 /nfs/dbraw/zinc/34/85/12/132348512.db2.gz OZWLHSSLMHZTEB-UHFFFAOYSA-N 1 2 247.346 1.649 40 0 BDABLO Nc1c(N2CCCC2)[nH+]cnc1N1CCCCC1 ZINC000040724200 132348513 /nfs/dbraw/zinc/34/85/13/132348513.db2.gz OZWLHSSLMHZTEB-UHFFFAOYSA-N 1 2 247.346 1.649 40 0 BDABLO CNC(=O)[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000072382116 132397094 /nfs/dbraw/zinc/39/70/94/132397094.db2.gz VSGFUDMGPYRYGL-CYBMUJFWSA-N 1 2 248.330 1.138 40 0 BDABLO CC(C)Cn1ccc(C[NH2+]Cc2ccn(C)n2)n1 ZINC000256049614 398040720 /nfs/dbraw/zinc/04/07/20/398040720.db2.gz AQRZMIXKBNYXGC-UHFFFAOYSA-N 1 2 247.346 1.562 40 0 BDABLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1 ZINC000217464933 170001909 /nfs/dbraw/zinc/00/19/09/170001909.db2.gz JXDZNIHQFMSPPN-CYBMUJFWSA-N 1 2 248.326 1.024 40 0 BDABLO CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1 ZINC000217464933 170001911 /nfs/dbraw/zinc/00/19/11/170001911.db2.gz JXDZNIHQFMSPPN-CYBMUJFWSA-N 1 2 248.326 1.024 40 0 BDABLO CCNC(=O)c1cc(N)ccc1[NH+](CC)CC ZINC000225483890 170099986 /nfs/dbraw/zinc/09/99/86/170099986.db2.gz YFFAQEHLOQPJIV-UHFFFAOYSA-N 1 2 235.331 1.865 40 0 BDABLO CC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000005599270 171350429 /nfs/dbraw/zinc/35/04/29/171350429.db2.gz QEAVOECGARETRX-ZETCQYMHSA-N 1 2 205.265 1.574 40 0 BDABLO CCc1nn(C(C)(C)C)c2nc[nH+]c(N)c12 ZINC000065734189 172037127 /nfs/dbraw/zinc/03/71/27/172037127.db2.gz ROXQNWRGRNAAAH-UHFFFAOYSA-N 1 2 219.292 1.726 40 0 in-vitro BDABLO COCCCn1cccc1C[NH+]1CCOCC1 ZINC000225309739 174266704 /nfs/dbraw/zinc/26/67/04/174266704.db2.gz USARYOUVOAMCDX-UHFFFAOYSA-N 1 2 238.331 1.357 40 0 BDABLO COc1ccc(N)c(-n2c[nH+]c(C)c2)n1 ZINC000040443150 175136791 /nfs/dbraw/zinc/13/67/91/175136791.db2.gz QHSHVVCMDRGPLL-UHFFFAOYSA-N 1 2 204.233 1.167 40 0 BDABLO COc1ccc(NCc2nnc([C@H](C)[NH3+])[nH]2)cc1 ZINC000095534650 175153094 /nfs/dbraw/zinc/15/30/94/175153094.db2.gz OAUBLJIYEDLJST-QMMMGPOBSA-N 1 2 247.302 1.445 40 0 BDABLO COc1ccc(NCc2nc([C@H](C)[NH3+])n[nH]2)cc1 ZINC000095534650 175153097 /nfs/dbraw/zinc/15/30/97/175153097.db2.gz OAUBLJIYEDLJST-QMMMGPOBSA-N 1 2 247.302 1.445 40 0 BDABLO C[C@H]1CN2C[C@H](c3ccccn3)[NH+]=C2S1 ZINC000222555741 177279879 /nfs/dbraw/zinc/27/98/79/177279879.db2.gz COZOJRKRZATEGP-WCBMZHEXSA-N 1 2 219.313 1.930 40 0 BDABLO CCn1ccc(C[NH2+]Cc2cnn(CC)c2)n1 ZINC000020349823 523493052 /nfs/dbraw/zinc/49/30/52/523493052.db2.gz FANVRGAGQWPCLM-UHFFFAOYSA-N 1 2 233.319 1.409 40 0 BDABLO COc1cccc2ccc(N(C)N)[nH+]c21 ZINC000199547156 524261670 /nfs/dbraw/zinc/26/16/70/524261670.db2.gz JRSLZKIYUCJEHU-UHFFFAOYSA-N 1 2 203.245 1.553 40 0 BDABLO Nc1cccc([C@@H](O)c2ccccc2)[nH+]1 ZINC000039957268 527520800 /nfs/dbraw/zinc/52/08/00/527520800.db2.gz LPEAAFIPULFKJD-LBPRGKRZSA-N 1 2 200.241 1.746 40 0 BDABLO CNC(=O)[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000072382117 536369776 /nfs/dbraw/zinc/36/97/76/536369776.db2.gz VSGFUDMGPYRYGL-ZDUSSCGKSA-N 1 2 248.330 1.138 40 0 BDABLO Cc1ccc(-n2ncc3c2nc[nH+]c3N)cc1 ZINC000001672924 178349510 /nfs/dbraw/zinc/34/95/10/178349510.db2.gz HMFJTCIVXMZQIC-UHFFFAOYSA-N 1 2 225.255 1.706 40 0 BDABLO Nc1nc(N)c(CCc2ccccc2)c(N)[nH+]1 ZINC000005387040 342763018 /nfs/dbraw/zinc/76/30/18/342763018.db2.gz HAUXUMNDBGEUDB-UHFFFAOYSA-N 1 2 229.287 1.008 40 0 BDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](CO)C1 ZINC000043220324 342790861 /nfs/dbraw/zinc/79/08/61/342790861.db2.gz MJDGWLBJHFHHDI-LLVKDONJSA-N 1 2 245.326 1.782 40 0 BDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](O)C1 ZINC000043220321 342790887 /nfs/dbraw/zinc/79/08/87/342790887.db2.gz SPLVJDRDMWPEFR-JTQLQIEISA-N 1 2 231.299 1.534 40 0 BDABLO CC[NH+]1CCN(c2cc(C)c(C(=O)[O-])c[nH+]2)CC1 ZINC000072223622 259321541 /nfs/dbraw/zinc/32/15/41/259321541.db2.gz WRGFBHKSUFNVCD-UHFFFAOYSA-N 1 2 249.314 1.230 40 0 BDABLO Cc1ccc(Nc2[nH+]c(N)nc(N)c2N)cc1C ZINC000015884422 342902462 /nfs/dbraw/zinc/90/24/62/342902462.db2.gz OFSUTUHRVMFNGK-UHFFFAOYSA-N 1 2 244.302 1.584 40 0 BDABLO Cc1ccc(Nc2nc(N)[nH+]c(N)c2N)cc1C ZINC000015884422 342902464 /nfs/dbraw/zinc/90/24/64/342902464.db2.gz OFSUTUHRVMFNGK-UHFFFAOYSA-N 1 2 244.302 1.584 40 0 BDABLO COC(=O)[C@H]([NH3+])c1c[nH]c2ccccc21 ZINC000022061418 343038045 /nfs/dbraw/zinc/03/80/45/343038045.db2.gz BFIGWERHCJBNBJ-SNVBAGLBSA-N 1 2 204.229 1.341 40 0 in-vitro BDABLO Cc1c(CO)cccc1Cc1c[nH]c[nH+]1 ZINC000034439664 343271188 /nfs/dbraw/zinc/27/11/88/343271188.db2.gz RDAWYMFVGHLOAF-UHFFFAOYSA-N 1 2 202.257 1.801 40 0 in-vitro BDABLO CO[C@H]1CCOC2(C[NH+](Cc3ccco3)C2)C1 ZINC000585105383 344134531 /nfs/dbraw/zinc/13/45/31/344134531.db2.gz VRCOIFKANVKCJQ-NSHDSACASA-N 1 2 237.299 1.659 40 0 BDABLO CC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000205693998 348576136 /nfs/dbraw/zinc/57/61/36/348576136.db2.gz VGICKJRKXVQUGH-GFCCVEGCSA-N 1 2 233.315 1.529 40 0 BDABLO COC(=O)C(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022123111 350084489 /nfs/dbraw/zinc/08/44/89/350084489.db2.gz LUZYGXULZYWEBC-RKDXNWHRSA-N 1 2 215.293 1.047 40 0 BDABLO Cc1c[nH]nc1[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC000072381914 180195198 /nfs/dbraw/zinc/19/51/98/180195198.db2.gz PLUGCRSZMRJHQI-NSHDSACASA-N 1 2 243.314 1.810 40 0 BDABLO Cc1nccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257307792 180208158 /nfs/dbraw/zinc/20/81/58/180208158.db2.gz TUDUOXOMMSRQGF-ZDUSSCGKSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1nccc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257307792 180208161 /nfs/dbraw/zinc/20/81/61/180208161.db2.gz TUDUOXOMMSRQGF-ZDUSSCGKSA-N 1 2 243.314 1.845 40 0 BDABLO CN(CCO)c1ccc2cccc(O)c2[nH+]1 ZINC000041669655 358875656 /nfs/dbraw/zinc/87/56/56/358875656.db2.gz VHIWQVMWPWNLAQ-UHFFFAOYSA-N 1 2 218.256 1.369 40 0 BDABLO Nc1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072212448 259525319 /nfs/dbraw/zinc/52/53/19/259525319.db2.gz NGBLJXUHXDLBSC-JTQLQIEISA-N 1 2 205.261 1.347 40 0 BDABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N(C)C ZINC000072212649 259526257 /nfs/dbraw/zinc/52/62/57/259526257.db2.gz SDYBDQQUPGYJMB-GFCCVEGCSA-N 1 2 233.315 1.831 40 0 BDABLO O[C@@H](Nc1cccc[nH+]1)c1cccnc1 ZINC000039377214 183184201 /nfs/dbraw/zinc/18/42/01/183184201.db2.gz KRYDIJGWLGVGCQ-LLVKDONJSA-N 1 2 201.229 1.580 40 0 BDABLO S=C(NCc1cccnc1)Nc1cc[nH+]cc1 ZINC000223938936 183311437 /nfs/dbraw/zinc/31/14/37/183311437.db2.gz TZURGUMJAAVWDY-UHFFFAOYSA-N 1 2 244.323 1.963 40 0 BDABLO COC(=O)c1ccc(-n2cc[nH+]c2)cc1N ZINC000090513445 384058030 /nfs/dbraw/zinc/05/80/30/384058030.db2.gz SOYNEOQQHUVZJM-UHFFFAOYSA-N 1 2 217.228 1.241 40 0 BDABLO CNc1cccc(C2CCN(C(C)=O)CC2)[nH+]1 ZINC000072357009 384210224 /nfs/dbraw/zinc/21/02/24/384210224.db2.gz VCRPOQSXUMPUSR-UHFFFAOYSA-N 1 2 233.315 1.849 40 0 BDABLO CC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000072381480 384216800 /nfs/dbraw/zinc/21/68/00/384216800.db2.gz KUJBJEXKGOAWTQ-LBPRGKRZSA-N 1 2 233.315 1.831 40 0 BDABLO c1ccc(C[N@@H+]2CCO[C@H]3COC[C@@H]32)cc1 ZINC000219476301 384373250 /nfs/dbraw/zinc/37/32/50/384373250.db2.gz TWKCBRNWMOQQNX-STQMWFEESA-N 1 2 219.284 1.286 40 0 BDABLO c1ccc(C[N@H+]2CCO[C@H]3COC[C@@H]32)cc1 ZINC000219476301 384373255 /nfs/dbraw/zinc/37/32/55/384373255.db2.gz TWKCBRNWMOQQNX-STQMWFEESA-N 1 2 219.284 1.286 40 0 BDABLO CC(=O)N1CCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000072212355 385075563 /nfs/dbraw/zinc/07/55/63/385075563.db2.gz XWBVRZVOIZYJJV-SNVBAGLBSA-N 1 2 205.261 1.347 40 0 BDABLO Nc1ccc([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072225126 385121294 /nfs/dbraw/zinc/12/12/94/385121294.db2.gz SMQCUKIZNUUDJL-LBPRGKRZSA-N 1 2 200.241 1.746 40 0 BDABLO Cc1nc(N)cc([C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000257343500 385767479 /nfs/dbraw/zinc/76/74/79/385767479.db2.gz ZTGYRHNPCJHRBM-NSHDSACASA-N 1 2 236.319 1.149 40 0 BDABLO Cc1nc(N)cc([C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000257343500 385767485 /nfs/dbraw/zinc/76/74/85/385767485.db2.gz ZTGYRHNPCJHRBM-NSHDSACASA-N 1 2 236.319 1.149 40 0 BDABLO CCOc1ccccc1C[NH+]1CCOCC1 ZINC000102667995 387304539 /nfs/dbraw/zinc/30/45/39/387304539.db2.gz RSOGKHFESBXYCP-UHFFFAOYSA-N 1 2 221.300 1.918 40 0 BDABLO OCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000079439407 388696337 /nfs/dbraw/zinc/69/63/37/388696337.db2.gz IBDSSUHMFUINJU-UHFFFAOYSA-N 1 2 248.330 1.260 40 0 BDABLO OCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000079439407 388696340 /nfs/dbraw/zinc/69/63/40/388696340.db2.gz IBDSSUHMFUINJU-UHFFFAOYSA-N 1 2 248.330 1.260 40 0 BDABLO COCc1n[nH]c([C@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533294 388777027 /nfs/dbraw/zinc/77/70/27/388777027.db2.gz NXSZYJBBXABQDN-SNVBAGLBSA-N 1 2 236.250 1.138 40 0 BDABLO Oc1cccc2ccc(N3CCC(O)CC3)[nH+]c12 ZINC000041669941 132350530 /nfs/dbraw/zinc/35/05/30/132350530.db2.gz OHWWBRJFLLQFGA-UHFFFAOYSA-N 1 2 244.294 1.902 40 0 BDABLO Cc1cc(N2CCO[C@@H](c3cc[nH]n3)C2)nc[nH+]1 ZINC000072381871 132397303 /nfs/dbraw/zinc/39/73/03/132397303.db2.gz KNXDAMRRUDKUSI-LLVKDONJSA-N 1 2 245.286 1.086 40 0 BDABLO COC(=O)[C@H]1C[C@H](OCc2ccccc2)C[NH2+]1 ZINC000082301390 487592155 /nfs/dbraw/zinc/59/21/55/487592155.db2.gz GYBYGFMCYASWNS-NWDGAFQWSA-N 1 2 235.283 1.107 40 0 BDABLO COc1ccc(C[NH2+]Cc2nc(C)no2)cc1 ZINC000037980774 175108089 /nfs/dbraw/zinc/10/80/89/175108089.db2.gz PCQBQNSPWVXCBB-UHFFFAOYSA-N 1 2 233.271 1.676 40 0 BDABLO C[C@H](O)CN(C)c1cn[nH+]c2ccccc21 ZINC000082461937 259323203 /nfs/dbraw/zinc/32/32/03/259323203.db2.gz SNPPOYZDFGNYAL-VIFPVBQESA-N 1 2 217.272 1.447 40 0 BDABLO CC[C@@H](C(=O)OC)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022123235 343040319 /nfs/dbraw/zinc/04/03/19/343040319.db2.gz KKMJLMSDDAULKG-GUBZILKMSA-N 1 2 215.293 1.047 40 0 BDABLO Cc1cc(C=O)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000023094358 343058540 /nfs/dbraw/zinc/05/85/40/343058540.db2.gz GSYJRHVPEFTAQI-UHFFFAOYSA-N 1 2 246.354 1.863 40 0 BDABLO OC[C@@H]1CCn2cncc2C[N@@H+]1Cc1ccco1 ZINC000585096882 344131393 /nfs/dbraw/zinc/13/13/93/344131393.db2.gz DYYJUSJTSJWXGT-NSHDSACASA-N 1 2 247.298 1.243 40 0 BDABLO OC[C@@H]1CCn2cncc2C[N@H+]1Cc1ccco1 ZINC000585096882 344131395 /nfs/dbraw/zinc/13/13/95/344131395.db2.gz DYYJUSJTSJWXGT-NSHDSACASA-N 1 2 247.298 1.243 40 0 BDABLO Cn1cc[nH+]c1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000072381905 180741848 /nfs/dbraw/zinc/74/18/48/180741848.db2.gz KOMLXGVVXQQJDL-GFCCVEGCSA-N 1 2 245.330 1.870 40 0 BDABLO CCCNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305832 169224061 /nfs/dbraw/zinc/22/40/61/169224061.db2.gz HZNURDKTOUNKLA-UHFFFAOYSA-N 1 2 218.300 1.528 40 0 BDABLO CCCNc1[nH+]cnc2c1cnn2[C@H]1CCCO1 ZINC000001681841 169296781 /nfs/dbraw/zinc/29/67/81/169296781.db2.gz SNEDMNSYYQGXPG-SNVBAGLBSA-N 1 2 247.302 1.957 40 0 BDABLO Nc1nc[nH+]c(N)c1NC(=O)c1cccc(F)c1 ZINC000001749403 383934177 /nfs/dbraw/zinc/93/41/77/383934177.db2.gz HKBRECJHGZYVLI-UHFFFAOYSA-N 1 2 247.233 1.032 40 0 BDABLO Cn1cc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)cn1 ZINC000072381901 384216784 /nfs/dbraw/zinc/21/67/84/384216784.db2.gz MGEZGWQDGGZXPE-NSHDSACASA-N 1 2 231.303 1.133 40 0 BDABLO Cn1cc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)cn1 ZINC000072381901 384216787 /nfs/dbraw/zinc/21/67/87/384216787.db2.gz MGEZGWQDGGZXPE-NSHDSACASA-N 1 2 231.303 1.133 40 0 BDABLO Cc1c(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)cnn1C ZINC000072383358 384219368 /nfs/dbraw/zinc/21/93/68/384219368.db2.gz NMVQGLXHVNQARA-LLVKDONJSA-N 1 2 245.330 1.441 40 0 BDABLO Cc1c(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)cnn1C ZINC000072383358 384219373 /nfs/dbraw/zinc/21/93/73/384219373.db2.gz NMVQGLXHVNQARA-LLVKDONJSA-N 1 2 245.330 1.441 40 0 BDABLO Cc1c(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)cnn1C ZINC000072383357 384219441 /nfs/dbraw/zinc/21/94/41/384219441.db2.gz NMVQGLXHVNQARA-NSHDSACASA-N 1 2 245.330 1.441 40 0 BDABLO Cc1c(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)cnn1C ZINC000072383357 384219447 /nfs/dbraw/zinc/21/94/47/384219447.db2.gz NMVQGLXHVNQARA-NSHDSACASA-N 1 2 245.330 1.441 40 0 BDABLO c1ccc(C[N@@H+]2CCO[C@@H]3COC[C@@H]32)cc1 ZINC000219476572 384373397 /nfs/dbraw/zinc/37/33/97/384373397.db2.gz TWKCBRNWMOQQNX-QWHCGFSZSA-N 1 2 219.284 1.286 40 0 BDABLO c1ccc(C[N@H+]2CCO[C@@H]3COC[C@@H]32)cc1 ZINC000219476572 384373404 /nfs/dbraw/zinc/37/34/04/384373404.db2.gz TWKCBRNWMOQQNX-QWHCGFSZSA-N 1 2 219.284 1.286 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccn1 ZINC000096057764 384431979 /nfs/dbraw/zinc/43/19/79/384431979.db2.gz QAANQOCCCAYXTE-BFHYXJOUSA-N 1 2 248.326 1.460 40 0 BDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccccn1 ZINC000096057764 384431984 /nfs/dbraw/zinc/43/19/84/384431984.db2.gz QAANQOCCCAYXTE-BFHYXJOUSA-N 1 2 248.326 1.460 40 0 BDABLO Nc1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072212392 385076249 /nfs/dbraw/zinc/07/62/49/385076249.db2.gz ZEWAGGHBXLRWDF-JTQLQIEISA-N 1 2 205.261 1.347 40 0 BDABLO CNc1[nH+]cccc1[C@@H]1CCCN1C(C)=O ZINC000072212530 385076262 /nfs/dbraw/zinc/07/62/62/385076262.db2.gz TWVTXIYPAFBYND-NSHDSACASA-N 1 2 219.288 1.807 40 0 BDABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCN1C=O ZINC000072212763 385080937 /nfs/dbraw/zinc/08/09/37/385080937.db2.gz DHYAKNDOKGULQB-LBPRGKRZSA-N 1 2 233.315 1.831 40 0 BDABLO Cc1cc([C@H](C)O)c[nH+]c1N1CCOCC1 ZINC000072222508 385110761 /nfs/dbraw/zinc/11/07/61/385110761.db2.gz VXDJWAYYNCRNOA-JTQLQIEISA-N 1 2 222.288 1.280 40 0 BDABLO C=Cc1ccc(N2CCN(C(C)=O)CC2)[nH+]c1 ZINC000072225644 385125592 /nfs/dbraw/zinc/12/55/92/385125592.db2.gz BHRRWKYRSYEBDT-UHFFFAOYSA-N 1 2 231.299 1.393 40 0 BDABLO C[C@@H]1[C@@](c2ccccc2)([NH+](C)C)CS1(=O)=O ZINC000031760214 385103517 /nfs/dbraw/zinc/10/35/17/385103517.db2.gz DAHLIVHEFCNDLW-PWSUYJOCSA-N 1 2 239.340 1.260 40 0 BDABLO COC[C@@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225179011 386175109 /nfs/dbraw/zinc/17/51/09/386175109.db2.gz ZRGFXNXPMOKOBY-MRVPVSSYSA-N 1 2 225.317 1.403 40 0 BDABLO COC(=O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1 ZINC000032098715 386655778 /nfs/dbraw/zinc/65/57/78/386655778.db2.gz GYBYGFMCYASWNS-VXGBXAGGSA-N 1 2 235.283 1.107 40 0 BDABLO CN(C)c1[nH+]c(C(N)=S)c2ccccn21 ZINC000218891011 388585714 /nfs/dbraw/zinc/58/57/14/388585714.db2.gz WCFZVYKRQCKLNK-UHFFFAOYSA-N 1 2 220.301 1.035 40 0 BDABLO Cc1nc(N)cc(Cc2cccs2)[nH+]1 ZINC000575622563 410000204 /nfs/dbraw/zinc/00/02/04/410000204.db2.gz WXQXQNZXASTICA-UHFFFAOYSA-N 1 2 205.286 2.020 40 0 BDABLO CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020495034 170103902 /nfs/dbraw/zinc/10/39/02/170103902.db2.gz BOXCVXMLOBMOGA-UHFFFAOYSA-N 1 2 248.326 1.269 40 0 BDABLO CCOC(=O)[C@@H]([NH3+])c1cc(C)c(O)c(C)c1 ZINC000033715624 170254188 /nfs/dbraw/zinc/25/41/88/170254188.db2.gz XRGBCMWQAQGUQN-JTQLQIEISA-N 1 2 223.272 1.572 40 0 BDABLO Cc1nc(N)cc(Cc2ccc(F)cc2)[nH+]1 ZINC000575622350 411939958 /nfs/dbraw/zinc/93/99/58/411939958.db2.gz RXBCCYDCMXZKSX-UHFFFAOYSA-N 1 2 217.247 2.097 40 0 BDABLO CC[C@@](C)([NH2+]C[C@H]1CCCO1)C(=O)OC ZINC000030769415 171175245 /nfs/dbraw/zinc/17/52/45/171175245.db2.gz ODBGTFLZFHGRPX-MWLCHTKSSA-N 1 2 215.293 1.097 40 0 BDABLO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000019695508 172366050 /nfs/dbraw/zinc/36/60/50/172366050.db2.gz XVQQEJNCLSGDDS-LLVKDONJSA-N 1 2 236.319 1.025 40 0 BDABLO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000019695508 172366051 /nfs/dbraw/zinc/36/60/51/172366051.db2.gz XVQQEJNCLSGDDS-LLVKDONJSA-N 1 2 236.319 1.025 40 0 BDABLO COCCCNC(=S)Nc1cc[nH+]cc1 ZINC000013837250 174246013 /nfs/dbraw/zinc/24/60/13/174246013.db2.gz UNTKAANXSLSGSI-UHFFFAOYSA-N 1 2 225.317 1.405 40 0 BDABLO COc1ccc(C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000061468749 175073380 /nfs/dbraw/zinc/07/33/80/175073380.db2.gz YEGYMLFSXLBNEF-UHFFFAOYSA-N 1 2 248.326 1.391 40 0 BDABLO COc1cc[nH+]c(N)c1Br ZINC000071256017 175361281 /nfs/dbraw/zinc/36/12/81/175361281.db2.gz HLIMZRCCILEHET-UHFFFAOYSA-N 1 2 203.039 1.435 40 0 BDABLO CC(C)[N@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000248095025 519637615 /nfs/dbraw/zinc/63/76/15/519637615.db2.gz ZANVSWOMLJAJEM-VXGBXAGGSA-N 1 2 242.363 1.654 40 0 BDABLO CC(C)[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000248095025 519637616 /nfs/dbraw/zinc/63/76/16/519637616.db2.gz ZANVSWOMLJAJEM-VXGBXAGGSA-N 1 2 242.363 1.654 40 0 BDABLO Cc1c[nH]nc1C1CN(c2cc(C)[nH+]cn2)C1 ZINC000072381867 178112547 /nfs/dbraw/zinc/11/25/47/178112547.db2.gz SFCPAWZTHIMCPS-UHFFFAOYSA-N 1 2 229.287 1.420 40 0 BDABLO Cc1cc(NCCO)nc(-c2ccccc2)[nH+]1 ZINC000002584890 178161360 /nfs/dbraw/zinc/16/13/60/178161360.db2.gz UFYXXAYLDSTKSJ-UHFFFAOYSA-N 1 2 229.283 1.856 40 0 BDABLO Cc1ccc(Nc2[nH+]c(N)nc(N)c2N)cc1 ZINC000015884423 342902420 /nfs/dbraw/zinc/90/24/20/342902420.db2.gz CEVGHIDRUKQSEC-UHFFFAOYSA-N 1 2 230.275 1.275 40 0 BDABLO Cc1ccc(Nc2nc(N)[nH+]c(N)c2N)cc1 ZINC000015884423 342902421 /nfs/dbraw/zinc/90/24/21/342902421.db2.gz CEVGHIDRUKQSEC-UHFFFAOYSA-N 1 2 230.275 1.275 40 0 BDABLO O=C1C[C@H]([NH+]2CCOCC2)c2ccccc21 ZINC000031719402 343223497 /nfs/dbraw/zinc/22/34/97/343223497.db2.gz IRZZHMWCASJZSQ-LBPRGKRZSA-N 1 2 217.268 1.646 40 0 BDABLO OCc1cn(CCc2ccccc2)c[nH+]1 ZINC000236506575 343795544 /nfs/dbraw/zinc/79/55/44/343795544.db2.gz YJRNGYJQCJXJTB-UHFFFAOYSA-N 1 2 202.257 1.618 40 0 BDABLO CS(=O)(=O)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000115756220 344715330 /nfs/dbraw/zinc/71/53/30/344715330.db2.gz GZPQWYLRIOTJFB-UHFFFAOYSA-N 1 2 222.269 1.480 40 0 BDABLO O=C1CC[C@]2(c3ccc(F)cc3)[NH2+]CCCN12 ZINC000019947395 347517606 /nfs/dbraw/zinc/51/76/06/347517606.db2.gz HRLKQWPKFDELHH-ZDUSSCGKSA-N 1 2 234.274 1.594 40 0 BDABLO CSc1ncc(Br)c(NN)[nH+]1 ZINC000059602565 349228724 /nfs/dbraw/zinc/22/87/24/349228724.db2.gz WHXIJUFFJQVVDB-UHFFFAOYSA-N 1 2 235.110 1.247 40 0 BDABLO Cc1nc[nH]c1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257294624 180119732 /nfs/dbraw/zinc/11/97/32/180119732.db2.gz QUYVWFZIEOQGIZ-ZDUSSCGKSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1nc[nH]c1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC000257294624 180119733 /nfs/dbraw/zinc/11/97/33/180119733.db2.gz QUYVWFZIEOQGIZ-ZDUSSCGKSA-N 1 2 243.314 1.845 40 0 BDABLO Cc1nccc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257321497 180208366 /nfs/dbraw/zinc/20/83/66/180208366.db2.gz WBXVXBDDMUCHIE-LBPRGKRZSA-N 1 2 243.314 1.845 40 0 BDABLO Nc1c[nH+]ccc1OCCc1ccccn1 ZINC000020519444 363146879 /nfs/dbraw/zinc/14/68/79/363146879.db2.gz QPDYFVFDZMMYCL-UHFFFAOYSA-N 1 2 215.256 1.680 40 0 BDABLO CC(C)(C)OC(=O)[C@@H]([NH3+])c1cc[nH]c(=O)c1 ZINC000604940610 352389640 /nfs/dbraw/zinc/38/96/40/352389640.db2.gz VQFGSDBDKPQBHM-VIFPVBQESA-N 1 2 224.260 1.129 40 0 BDABLO Ic1cccn2cc[nH+]c12 ZINC000147529554 368308750 /nfs/dbraw/zinc/30/87/50/368308750.db2.gz QPUNFYOVTKEIGL-UHFFFAOYSA-N 1 2 244.035 1.939 40 0 BDABLO c1cc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)n[nH]1 ZINC000072381582 183346079 /nfs/dbraw/zinc/34/60/79/183346079.db2.gz ZEECJQKJHYDFFX-ZDUSSCGKSA-N 1 2 244.298 1.378 40 0 BDABLO c1cc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n[nH]1 ZINC000072381582 183346082 /nfs/dbraw/zinc/34/60/82/183346082.db2.gz ZEECJQKJHYDFFX-ZDUSSCGKSA-N 1 2 244.298 1.378 40 0 BDABLO c1cc([C@H]2CC[N@@H+](Cc3cncs3)C2)[nH]n1 ZINC000257321221 183364292 /nfs/dbraw/zinc/36/42/92/183364292.db2.gz WAQIENMUJIUMLC-VIFPVBQESA-N 1 2 234.328 1.856 40 0 BDABLO c1cc([C@H]2CC[N@H+](Cc3cncs3)C2)[nH]n1 ZINC000257321221 183364294 /nfs/dbraw/zinc/36/42/94/183364294.db2.gz WAQIENMUJIUMLC-VIFPVBQESA-N 1 2 234.328 1.856 40 0 BDABLO c1c[nH+]c(CN2CCCC[C@@H]2c2ccncn2)[nH]1 ZINC000072382063 183362439 /nfs/dbraw/zinc/36/24/39/183362439.db2.gz QRBUXWPTDWBFTJ-GFCCVEGCSA-N 1 2 243.314 1.927 40 0 BDABLO c1cc([C@@H]2COCC[N@H+]2CC2CCC2)n[nH]1 ZINC000257343662 183362925 /nfs/dbraw/zinc/36/29/25/183362925.db2.gz ZTXLLSQBTWBUMN-LBPRGKRZSA-N 1 2 221.304 1.583 40 0 BDABLO c1cc([C@@H]2COCC[N@@H+]2CC2CCC2)n[nH]1 ZINC000257343662 183362926 /nfs/dbraw/zinc/36/29/26/183362926.db2.gz ZTXLLSQBTWBUMN-LBPRGKRZSA-N 1 2 221.304 1.583 40 0 BDABLO [NH3+]C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622864 383866687 /nfs/dbraw/zinc/86/66/87/383866687.db2.gz NHLXFMCTHFWEAP-RYUDHWBXSA-N 1 2 234.299 1.093 40 0 BDABLO [NH3+]C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622864 383866692 /nfs/dbraw/zinc/86/66/92/383866692.db2.gz NHLXFMCTHFWEAP-RYUDHWBXSA-N 1 2 234.299 1.093 40 0 BDABLO OC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000070453200 384562681 /nfs/dbraw/zinc/56/26/81/384562681.db2.gz UVAOJFZBLBCOTJ-SECBINFHSA-N 1 2 213.302 1.114 40 0 BDABLO CC(C)[NH+](c1ccc(N)cc1C(N)=O)C(C)C ZINC000226323531 384979109 /nfs/dbraw/zinc/97/91/09/384979109.db2.gz ROEPFWPEOAYJHQ-UHFFFAOYSA-N 1 2 235.331 1.991 40 0 BDABLO CC(=O)N1CCC[C@H]1c1ccc(N(C)C)[nH+]c1 ZINC000072212590 385077847 /nfs/dbraw/zinc/07/78/47/385077847.db2.gz DWYRYAFGZSIYTQ-LBPRGKRZSA-N 1 2 233.315 1.831 40 0 BDABLO CCNc1ccc([C@H]2CCCN2C=O)c[nH+]1 ZINC000072213062 385080879 /nfs/dbraw/zinc/08/08/79/385080879.db2.gz SPNZEEQGOOEMNY-LLVKDONJSA-N 1 2 219.288 1.807 40 0 BDABLO Nc1c[nH+]ccc1OCc1ccncc1 ZINC000095098144 385486699 /nfs/dbraw/zinc/48/66/99/385486699.db2.gz OINUJHANCDTWOV-UHFFFAOYSA-N 1 2 201.229 1.638 40 0 BDABLO CC(=O)N1CCC[C@H](c2c[nH+]cn2C)C1 ZINC000257246995 385755226 /nfs/dbraw/zinc/75/52/26/385755226.db2.gz IWWVAVJLEIUTKZ-JTQLQIEISA-N 1 2 207.277 1.146 40 0 BDABLO Cc1c[nH]nc1[C@H]1COCCN1Cc1[nH]cc[nH+]1 ZINC000257224654 385755323 /nfs/dbraw/zinc/75/53/23/385755323.db2.gz FCTBZOWTMDYYRC-SNVBAGLBSA-N 1 2 247.302 1.015 40 0 BDABLO CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257341618 385764239 /nfs/dbraw/zinc/76/42/39/385764239.db2.gz ZLCJJDUSZXPZCR-LLVKDONJSA-N 1 2 219.288 1.187 40 0 BDABLO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1 ZINC000032239957 385982453 /nfs/dbraw/zinc/98/24/53/385982453.db2.gz FOYXZVHDLXZETB-GFCCVEGCSA-N 1 2 245.282 1.195 40 0 BDABLO O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1 ZINC000032239957 385982458 /nfs/dbraw/zinc/98/24/58/385982458.db2.gz FOYXZVHDLXZETB-GFCCVEGCSA-N 1 2 245.282 1.195 40 0 BDABLO Nc1[nH+]cnc(N[C@H]2CC[C@@H](CO)C2)c1Cl ZINC000295901682 386103429 /nfs/dbraw/zinc/10/34/29/386103429.db2.gz CPYBALFKBQZANO-RQJHMYQMSA-N 1 2 242.710 1.285 40 0 BDABLO Nc1nc[nH+]c(N[C@H]2CC[C@@H](CO)C2)c1Cl ZINC000295901682 386103433 /nfs/dbraw/zinc/10/34/33/386103433.db2.gz CPYBALFKBQZANO-RQJHMYQMSA-N 1 2 242.710 1.285 40 0 BDABLO NNc1[nH+]cc(Br)cc1F ZINC000095830496 387154470 /nfs/dbraw/zinc/15/44/70/387154470.db2.gz GOJACKNGUWSTLZ-UHFFFAOYSA-N 1 2 206.018 1.269 40 0 BDABLO Cn1cc(C[NH2+]Cc2ccn(C(F)F)n2)cn1 ZINC000256050427 387858397 /nfs/dbraw/zinc/85/83/97/387858397.db2.gz DZKXHLRGDJEQLE-UHFFFAOYSA-N 1 2 241.245 1.302 40 0 BDABLO COCc1n[nH]c([C@@H]([NH3+])c2ccc(C)cc2)n1 ZINC000095534128 388777513 /nfs/dbraw/zinc/77/75/13/388777513.db2.gz VKTVFZMKHXZNHY-NSHDSACASA-N 1 2 232.287 1.308 40 0 BDABLO CCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000000513522 172146025 /nfs/dbraw/zinc/14/60/25/172146025.db2.gz DDPMLFJNQIKAIJ-VIFPVBQESA-N 1 2 219.288 1.849 40 0 BDABLO COc1cc2[nH+]cc3c(=O)[nH][nH]c3c2cc1OC ZINC000064873622 175028473 /nfs/dbraw/zinc/02/84/73/175028473.db2.gz FMQCBNDXRQLYRS-UHFFFAOYSA-N 1 2 245.238 1.834 40 0 BDABLO COc1cccc(-c2n[nH]c([C@H](C)[NH3+])n2)c1 ZINC000061843964 175236663 /nfs/dbraw/zinc/23/66/63/175236663.db2.gz JUDRZEHOURQZJC-ZETCQYMHSA-N 1 2 218.260 1.500 40 0 BDABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@@H+]1C ZINC000036131817 175355008 /nfs/dbraw/zinc/35/50/08/175355008.db2.gz MUBXIJJXEBKKIM-CYBMUJFWSA-N 1 2 248.326 1.530 40 0 BDABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@H+]1C ZINC000036131817 175355010 /nfs/dbraw/zinc/35/50/10/175355010.db2.gz MUBXIJJXEBKKIM-CYBMUJFWSA-N 1 2 248.326 1.530 40 0 BDABLO Cc1noc(C2CN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072381868 178112012 /nfs/dbraw/zinc/11/20/12/178112012.db2.gz XXXIYLWOZMNQPM-UHFFFAOYSA-N 1 2 231.259 1.080 40 0 BDABLO CC[C@](C)(C(=O)OC)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000035655769 342804546 /nfs/dbraw/zinc/80/45/46/342804546.db2.gz IUOXSJDTMHVUNH-CKYFFXLPSA-N 1 2 229.320 1.437 40 0 BDABLO CC(C)CNC(=O)C[NH+]1Cc2ccccc2C1 ZINC000006326323 346648952 /nfs/dbraw/zinc/64/89/52/346648952.db2.gz RKKWCUGFSQOYIY-UHFFFAOYSA-N 1 2 232.327 1.774 40 0 BDABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[NH2+]1 ZINC000211217062 351120363 /nfs/dbraw/zinc/12/03/63/351120363.db2.gz GMNWHMJRYFBQOV-GFCCVEGCSA-N 1 2 234.299 1.188 40 0 BDABLO CNc1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072212509 259526328 /nfs/dbraw/zinc/52/63/28/259526328.db2.gz HMQNKENMCPIOII-LLVKDONJSA-N 1 2 219.288 1.807 40 0 BDABLO [NH3+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000087878894 383868711 /nfs/dbraw/zinc/86/87/11/383868711.db2.gz MHFOHLNBBAHMLF-MRVPVSSYSA-N 1 2 242.204 1.872 40 0 BDABLO Nc1[nH+]cnc2c1cnn2C1CCCCC1 ZINC000001562359 383904203 /nfs/dbraw/zinc/90/42/03/383904203.db2.gz NMRKXWXGVJSXML-UHFFFAOYSA-N 1 2 217.276 1.914 40 0 BDABLO CC(=O)N1CCC[C@H](c2cccc(N(C)C)[nH+]2)C1 ZINC000072357024 384209804 /nfs/dbraw/zinc/20/98/04/384209804.db2.gz ZLZWAVKEJJLXSD-LBPRGKRZSA-N 1 2 247.342 1.874 40 0 BDABLO Cc1c[nH]nc1[C@@H]1CCCN1Cc1[nH+]ccn1C ZINC000072357325 384212764 /nfs/dbraw/zinc/21/27/64/384212764.db2.gz LTCUQPYCRLUDKZ-NSHDSACASA-N 1 2 245.330 1.789 40 0 BDABLO CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC000072381422 384216008 /nfs/dbraw/zinc/21/60/08/384216008.db2.gz IZGXRIRJMIDWQX-UHFFFAOYSA-N 1 2 207.277 1.146 40 0 BDABLO Cc1c(N)cc[nH+]c1I ZINC000082046556 384216302 /nfs/dbraw/zinc/21/63/02/384216302.db2.gz POXJBXBVXBWWRG-UHFFFAOYSA-N 1 2 234.040 1.577 40 0 BDABLO CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000072381525 384218172 /nfs/dbraw/zinc/21/81/72/384218172.db2.gz ZBOJPFCOQQWBIF-LLVKDONJSA-N 1 2 221.304 1.221 40 0 BDABLO C[C@H](Cc1ccccn1)NC(=O)Cn1cc[nH+]c1 ZINC000019457068 384526361 /nfs/dbraw/zinc/52/63/61/384526361.db2.gz UDTZTZYPOINYKC-LLVKDONJSA-N 1 2 244.298 1.026 40 0 BDABLO CN(C)c1cc(-c2cccnc2)[nH+]c(N)n1 ZINC000253495946 384545559 /nfs/dbraw/zinc/54/55/59/384545559.db2.gz XESFANXSGYVIKC-UHFFFAOYSA-N 1 2 215.260 1.187 40 0 BDABLO CC[NH+]1C=CC(=C2N=c3ccccc3=N2)C=C1 ZINC000409416114 384766555 /nfs/dbraw/zinc/76/65/55/384766555.db2.gz BKKKRPMJBFGJBA-UHFFFAOYSA-N 1 2 223.279 1.514 40 0 BDABLO O=C1N[C@@H]2CCCC[N@@H+]2Cc2sccc21 ZINC000024527452 384823839 /nfs/dbraw/zinc/82/38/39/384823839.db2.gz RBGJSZRYEYJGFI-JTQLQIEISA-N 1 2 222.313 1.804 40 0 BDABLO O=C1N[C@@H]2CCCC[N@H+]2Cc2sccc21 ZINC000024527452 384823844 /nfs/dbraw/zinc/82/38/44/384823844.db2.gz RBGJSZRYEYJGFI-JTQLQIEISA-N 1 2 222.313 1.804 40 0 BDABLO CN(C)c1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072212688 385078853 /nfs/dbraw/zinc/07/88/53/385078853.db2.gz GQJNWZDVGIZTTG-LBPRGKRZSA-N 1 2 233.315 1.831 40 0 BDABLO CCC(=O)c1ccc(N2CCOCC2)[nH+]c1C ZINC000072224593 385120028 /nfs/dbraw/zinc/12/00/28/385120028.db2.gz VBKLGRSNUPTMBW-UHFFFAOYSA-N 1 2 234.299 1.819 40 0 BDABLO CC[C@H](O)CN(C)c1cn[nH+]c2ccccc21 ZINC000095097471 385427369 /nfs/dbraw/zinc/42/73/69/385427369.db2.gz HGBQAQIFEFQGJG-JTQLQIEISA-N 1 2 231.299 1.837 40 0 BDABLO Cc1ccnc(C2C[NH+](Cc3cnn(C)c3)C2)n1 ZINC000257201242 385753577 /nfs/dbraw/zinc/75/35/77/385753577.db2.gz AGVSNKBYFOUGNS-UHFFFAOYSA-N 1 2 243.314 1.118 40 0 BDABLO Cc1c[nH+]c([C@H]2CCN(c3ncccn3)C2)[nH]1 ZINC000257322076 385765266 /nfs/dbraw/zinc/76/52/66/385765266.db2.gz WEMPQGXGZMXSQN-JTQLQIEISA-N 1 2 229.287 1.502 40 0 BDABLO CCCC(=O)N1CC[C@]2(Cc3[nH+]ccn3C2)C1 ZINC000306129811 385993174 /nfs/dbraw/zinc/99/31/74/385993174.db2.gz INOCSCAGHXXKSA-CYBMUJFWSA-N 1 2 233.315 1.458 40 0 BDABLO COCCn1c[nH+]c2cc(C)c(N)cc21 ZINC000223769296 386100959 /nfs/dbraw/zinc/10/09/59/386100959.db2.gz KQFZDWGNRDCGGL-UHFFFAOYSA-N 1 2 205.261 1.573 40 0 BDABLO CC[NH+](CC)c1ccc(NC)cc1C(N)=O ZINC000226279525 387339838 /nfs/dbraw/zinc/33/98/38/387339838.db2.gz GHTLLQQXSSEWPE-UHFFFAOYSA-N 1 2 221.304 1.673 40 0 BDABLO CC(C)Cn1ccc(C[NH2+]Cc2ccnn2C)n1 ZINC000256054171 387861987 /nfs/dbraw/zinc/86/19/87/387861987.db2.gz VEUPBYFDKZWCNP-UHFFFAOYSA-N 1 2 247.346 1.562 40 0 BDABLO O=C(C[NH+]1CCC(O)CC1)c1cccs1 ZINC000095079070 388758605 /nfs/dbraw/zinc/75/86/05/388758605.db2.gz OARKVKAUILPNCO-UHFFFAOYSA-N 1 2 225.313 1.388 40 0 BDABLO Nc1cc(N)[nH+]c(N2CCc3ccccc3C2)n1 ZINC000013637652 132321990 /nfs/dbraw/zinc/32/19/90/132321990.db2.gz HGHIQPLSNIJKGA-UHFFFAOYSA-N 1 2 241.298 1.204 40 0 BDABLO Cc1cc(N2CCO[C@H](c3cc[nH]n3)C2)nc[nH+]1 ZINC000072381870 132397447 /nfs/dbraw/zinc/39/74/47/132397447.db2.gz KNXDAMRRUDKUSI-NSHDSACASA-N 1 2 245.286 1.086 40 0 BDABLO COc1cccc([C@@H](CO)[NH+]2CCOCC2)c1 ZINC000070453142 410472290 /nfs/dbraw/zinc/47/22/90/410472290.db2.gz AJBIJPQJBZBKHW-CYBMUJFWSA-N 1 2 237.299 1.061 40 0 BDABLO CC(C)(C)CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000064219316 166554116 /nfs/dbraw/zinc/55/41/16/166554116.db2.gz WJWZAVFUZDCFEF-ZJUUUORDSA-N 1 2 243.347 1.467 40 0 BDABLO CCn1c(C=O)ccc1Cn1cc[nH+]c1 ZINC000078404625 172143031 /nfs/dbraw/zinc/14/30/31/172143031.db2.gz VHYWNCKRLUXUGY-UHFFFAOYSA-N 1 2 203.245 1.565 40 0 BDABLO CCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000000513521 172145972 /nfs/dbraw/zinc/14/59/72/172145972.db2.gz DDPMLFJNQIKAIJ-SECBINFHSA-N 1 2 219.288 1.849 40 0 BDABLO CN1c2ccc(O)cc2[C@@]2(C)CC[N@@H+](C)[C@@H]12 ZINC000053150047 173165199 /nfs/dbraw/zinc/16/51/99/173165199.db2.gz HKGWQUVGHPDEBZ-QWHCGFSZSA-N 1 2 218.300 1.761 40 0 in-vitro BDABLO CN1c2ccc(O)cc2[C@@]2(C)CC[N@H+](C)[C@@H]12 ZINC000053150047 173165200 /nfs/dbraw/zinc/16/52/00/173165200.db2.gz HKGWQUVGHPDEBZ-QWHCGFSZSA-N 1 2 218.300 1.761 40 0 in-vitro BDABLO C[N@H+]1Cc2ccnn2[C@H](COc2ccccn2)C1 ZINC000248163633 173200828 /nfs/dbraw/zinc/20/08/28/173200828.db2.gz YWBBLSRCDPLXII-LBPRGKRZSA-N 1 2 244.298 1.344 40 0 BDABLO C[N@@H+]1Cc2ccnn2[C@H](COc2ccccn2)C1 ZINC000248163633 173200832 /nfs/dbraw/zinc/20/08/32/173200832.db2.gz YWBBLSRCDPLXII-LBPRGKRZSA-N 1 2 244.298 1.344 40 0 BDABLO CNc1nc(NC(C)C)cc(-c2cccnc2)[nH+]1 ZINC000329000656 173208400 /nfs/dbraw/zinc/20/84/00/173208400.db2.gz KASFVADWHSAXBR-UHFFFAOYSA-N 1 2 243.314 1.244 40 0 BDABLO COC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000070451579 173642312 /nfs/dbraw/zinc/64/23/12/173642312.db2.gz WVEYIBJKKOVGFX-UHFFFAOYSA-N 1 2 208.192 1.189 40 0 BDABLO COc1cccc(Oc2ncc[nH+]c2NN)c1 ZINC000070451485 175284992 /nfs/dbraw/zinc/28/49/92/175284992.db2.gz XHJDXSJQHCSAMN-UHFFFAOYSA-N 1 2 232.243 1.563 40 0 BDABLO Cc1cc(NCCO)nc(Cc2ccccc2)[nH+]1 ZINC000225325947 178162320 /nfs/dbraw/zinc/16/23/20/178162320.db2.gz CIDDLMOPIBLYCH-UHFFFAOYSA-N 1 2 243.310 1.780 40 0 BDABLO C[NH+](C)[C@@]12CS(=O)(=O)[C@H]1CCCCC2 ZINC000001869768 342713253 /nfs/dbraw/zinc/71/32/53/342713253.db2.gz ZUVUSIRWYKLPBE-UWVGGRQHSA-N 1 2 217.334 1.048 40 0 BDABLO COc1ccc([C@@]23CCCN2CCC[NH2+]3)cc1 ZINC000019329200 342945977 /nfs/dbraw/zinc/94/59/77/342945977.db2.gz PMGLPQRIWNNHRB-CQSZACIVSA-N 1 2 232.327 1.937 40 0 BDABLO COC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123361 343040393 /nfs/dbraw/zinc/04/03/93/343040393.db2.gz MEEXDXMBRIFSPR-OUAUKWLOSA-N 1 2 229.320 1.293 40 0 BDABLO COC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022123361 343040394 /nfs/dbraw/zinc/04/03/94/343040394.db2.gz MEEXDXMBRIFSPR-OUAUKWLOSA-N 1 2 229.320 1.293 40 0 BDABLO CCC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000205690856 369997981 /nfs/dbraw/zinc/99/79/81/369997981.db2.gz VZTJWWPKUPBNMR-GFCCVEGCSA-N 1 2 247.342 1.919 40 0 BDABLO Cc1ccc(OCC[NH+]2CCOCC2)cn1 ZINC000256054057 370637960 /nfs/dbraw/zinc/63/79/60/370637960.db2.gz UTWNQXMOOSUCJR-UHFFFAOYSA-N 1 2 222.288 1.101 40 0 BDABLO O=C(NCCc1c[nH+]c[nH]1)c1ccccc1F ZINC000006448526 182201353 /nfs/dbraw/zinc/20/13/53/182201353.db2.gz XCDLWYOFYASNRJ-UHFFFAOYSA-N 1 2 233.246 1.521 40 0 BDABLO O=C(NCCc1c[nH]c[nH+]1)c1ccccc1F ZINC000006448526 182201354 /nfs/dbraw/zinc/20/13/54/182201354.db2.gz XCDLWYOFYASNRJ-UHFFFAOYSA-N 1 2 233.246 1.521 40 0 BDABLO [O-][n+]1nc(-n2cc[nH+]c2)nc2ccc(Cl)cc21 ZINC000002517010 183318943 /nfs/dbraw/zinc/31/89/43/183318943.db2.gz IQGKIPDJXCAMSM-UHFFFAOYSA-N 1 2 247.645 1.102 40 0 in-vitro BDABLO O=C(C[N@@H+](CCO)C1CC1)c1cccs1 ZINC000050158202 383830977 /nfs/dbraw/zinc/83/09/77/383830977.db2.gz QCRWHBUXSFLUCR-UHFFFAOYSA-N 1 2 225.313 1.388 40 0 BDABLO O=C(C[N@H+](CCO)C1CC1)c1cccs1 ZINC000050158202 383830979 /nfs/dbraw/zinc/83/09/79/383830979.db2.gz QCRWHBUXSFLUCR-UHFFFAOYSA-N 1 2 225.313 1.388 40 0 BDABLO Cc1noc([C@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072357402 384213116 /nfs/dbraw/zinc/21/31/16/384213116.db2.gz FVXYLRBCBOYSDP-LLVKDONJSA-N 1 2 247.302 1.449 40 0 BDABLO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000072383359 384219058 /nfs/dbraw/zinc/21/90/58/384219058.db2.gz SEFPCQQQNSYGLB-NSHDSACASA-N 1 2 245.330 1.441 40 0 BDABLO Cc1nn(C)cc1C[N@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000072383359 384219064 /nfs/dbraw/zinc/21/90/64/384219064.db2.gz SEFPCQQQNSYGLB-NSHDSACASA-N 1 2 245.330 1.441 40 0 BDABLO CNc1[nH+]cnc2c1cnn2[C@@H]1CCCO1 ZINC000002044695 384503388 /nfs/dbraw/zinc/50/33/88/384503388.db2.gz VPKXEJQTMOXUTR-QMMMGPOBSA-N 1 2 219.248 1.177 40 0 BDABLO Nc1cc(C(F)(F)F)c([C@@H]2CNC(=O)C2)c[nH+]1 ZINC000199782141 384550756 /nfs/dbraw/zinc/55/07/56/384550756.db2.gz HDLCMNYECFXVAQ-YFKPBYRVSA-N 1 2 245.204 1.286 40 0 BDABLO [NH3+][C@H](c1nnc[nH]1)c1ccc(Cl)cc1 ZINC000083746170 384859329 /nfs/dbraw/zinc/85/93/29/384859329.db2.gz JGXXNPGLAMJPTK-QMMMGPOBSA-N 1 2 208.652 1.506 40 0 BDABLO [NH3+][C@H](c1nc[nH]n1)c1ccc(Cl)cc1 ZINC000083746170 384859336 /nfs/dbraw/zinc/85/93/36/384859336.db2.gz JGXXNPGLAMJPTK-QMMMGPOBSA-N 1 2 208.652 1.506 40 0 BDABLO CNc1cc([C@@H]2CCCN(C(C)=O)C2)[nH+]c(C)n1 ZINC000072187787 385047511 /nfs/dbraw/zinc/04/75/11/385047511.db2.gz QWESQGFDGCBCFZ-LLVKDONJSA-N 1 2 248.330 1.553 40 0 BDABLO c1cc([C@H]2CC[N@H+](Cc3cccnc3)C2)[nH]n1 ZINC000072187654 385043306 /nfs/dbraw/zinc/04/33/06/385043306.db2.gz KWZYSLMHJALBIR-LBPRGKRZSA-N 1 2 228.299 1.794 40 0 BDABLO NNc1[nH+]cc(F)cc1Br ZINC000095830497 385887837 /nfs/dbraw/zinc/88/78/37/385887837.db2.gz HNNHGHBNJFIQHY-UHFFFAOYSA-N 1 2 206.018 1.269 40 0 BDABLO C[NH2+][C@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000037869855 386104493 /nfs/dbraw/zinc/10/44/93/386104493.db2.gz OQMLFVWMNDTEMB-QMMMGPOBSA-N 1 2 233.098 1.739 40 0 BDABLO COC(=O)[C@@H]1C[C@H](OCc2ccccc2)C[NH2+]1 ZINC000032098716 386654833 /nfs/dbraw/zinc/65/48/33/386654833.db2.gz GYBYGFMCYASWNS-RYUDHWBXSA-N 1 2 235.283 1.107 40 0 BDABLO CC(C)n1cc(C[NH2+]Cc2ccn(C)n2)cn1 ZINC000231608716 387857147 /nfs/dbraw/zinc/85/71/47/387857147.db2.gz LVFFYVCZCCIEIB-UHFFFAOYSA-N 1 2 233.319 1.487 40 0 BDABLO O=C(C[N@H+]1CCC[C@@H](O)C1)c1cccs1 ZINC000050152804 387903318 /nfs/dbraw/zinc/90/33/18/387903318.db2.gz LGXOMUFXPRDTJX-SECBINFHSA-N 1 2 225.313 1.388 40 0 BDABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)c1cccs1 ZINC000050152804 387903321 /nfs/dbraw/zinc/90/33/21/387903321.db2.gz LGXOMUFXPRDTJX-SECBINFHSA-N 1 2 225.313 1.388 40 0 BDABLO O=C1NCCNc2c3ccc(F)cc3[nH+]cc21 ZINC000064874572 388671282 /nfs/dbraw/zinc/67/12/82/388671282.db2.gz RDPFCLSTCMJXSF-UHFFFAOYSA-N 1 2 231.230 1.529 40 0 BDABLO Sc1cccc(C[NH+]2CCOCC2)c1 ZINC000045206635 398039799 /nfs/dbraw/zinc/03/97/99/398039799.db2.gz PUTFUTWIXWFGGS-UHFFFAOYSA-N 1 2 209.314 1.808 40 0 BDABLO CC[NH+]1C=CC(=C2N=c3ccc(C)cc3=N2)C=C1 ZINC000409416126 411198571 /nfs/dbraw/zinc/19/85/71/411198571.db2.gz ZJPSAEOFOQXBNL-UHFFFAOYSA-N 1 2 237.306 1.822 40 0 BDABLO CCNc1[nH+]cnc2c1cnn2[C@@H]1CCCCO1 ZINC000002045428 170178230 /nfs/dbraw/zinc/17/82/30/170178230.db2.gz WDOJJFOXOFILPK-JTQLQIEISA-N 1 2 247.302 1.957 40 0 BDABLO C[N@@H+]1CCc2[nH]n(-c3ccccc3)c(=O)c2C1 ZINC000004110640 173002920 /nfs/dbraw/zinc/00/29/20/173002920.db2.gz CBMPQRPSDDZANJ-NSHDSACASA-N 1 2 229.283 1.341 40 0 BDABLO C[N@H+]1CCc2[nH]n(-c3ccccc3)c(=O)c2C1 ZINC000004110640 173002921 /nfs/dbraw/zinc/00/29/21/173002921.db2.gz CBMPQRPSDDZANJ-NSHDSACASA-N 1 2 229.283 1.341 40 0 BDABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@@H+]1C ZINC000036131814 175348395 /nfs/dbraw/zinc/34/83/95/175348395.db2.gz MUBXIJJXEBKKIM-ZDUSSCGKSA-N 1 2 248.326 1.530 40 0 BDABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@H+]1C ZINC000036131814 175348397 /nfs/dbraw/zinc/34/83/97/175348397.db2.gz MUBXIJJXEBKKIM-ZDUSSCGKSA-N 1 2 248.326 1.530 40 0 BDABLO CCCn1ccc(C[NH2+]Cc2cnn(CC)c2)n1 ZINC000020349884 521655608 /nfs/dbraw/zinc/65/56/08/521655608.db2.gz OOQKHYMUSBJLPH-UHFFFAOYSA-N 1 2 247.346 1.799 40 0 BDABLO