smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N)nc(Nc2ccccc2Cl)[nH+]1 ZINC000075156676 178109137 /nfs/dbraw/zinc/10/91/37/178109137.db2.gz XZYXEXPJZXRXGH-UHFFFAOYSA-N 1 2 234.690 2.764 50 0 BFAALO CC/C=C/CC(=O)NCc1c[nH+]cn1CC(C)C ZINC000252481060 187330569 /nfs/dbraw/zinc/33/05/69/187330569.db2.gz CHJJKVQDJDKQPP-AATRIKPKSA-N 1 2 249.358 2.512 50 0 BFAALO Cc1n[nH]cc1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000089599298 178191938 /nfs/dbraw/zinc/19/19/38/178191938.db2.gz VWZKBNALJPVKFB-UHFFFAOYSA-N 1 2 231.303 2.684 50 0 BFAALO C[C@H](CC(=O)N1CCCCCCC1)n1cc[nH+]c1 ZINC000032720226 538950463 /nfs/dbraw/zinc/95/04/63/538950463.db2.gz WBJVMTLTVOETSZ-CYBMUJFWSA-N 1 2 249.358 2.627 50 0 BFAALO CCC1(c2c[nH]c[nH+]2)Cc2ccccc2C1 ZINC000005424171 342763956 /nfs/dbraw/zinc/76/39/56/342763956.db2.gz HSWPZIDYAHLZDD-UHFFFAOYSA-N 1 2 212.296 2.856 50 0 investigational BFAALO CCC1(c2c[nH+]c[nH]2)Cc2ccccc2C1 ZINC000005424171 342763957 /nfs/dbraw/zinc/76/39/57/342763957.db2.gz HSWPZIDYAHLZDD-UHFFFAOYSA-N 1 2 212.296 2.856 50 0 investigational BFAALO O=C(CCn1cc[nH+]c1)Nc1ccccc1Cl ZINC000008746684 342804320 /nfs/dbraw/zinc/80/43/20/342804320.db2.gz HWCCQVCWMUFITQ-UHFFFAOYSA-N 1 2 249.701 2.565 50 0 BFAALO Nc1ccc(Sc2cccs2)c[nH+]1 ZINC000020078056 342967963 /nfs/dbraw/zinc/96/79/63/342967963.db2.gz OUNHLGUTZLVSSK-UHFFFAOYSA-N 1 2 208.311 2.877 50 0 BFAALO Nc1ccc[nH+]c1Nc1cccc(F)c1 ZINC000020317560 342981931 /nfs/dbraw/zinc/98/19/31/342981931.db2.gz IFCYNXBTLSLFJW-UHFFFAOYSA-N 1 2 203.220 2.547 50 0 BFAALO COC(=O)[C@H]([NH2+]Cc1ccc(C)cc1)C(C)(C)C ZINC000083381224 343591734 /nfs/dbraw/zinc/59/17/34/343591734.db2.gz NRKVDURPEDMLMK-ZDUSSCGKSA-N 1 2 249.354 2.672 50 0 BFAALO Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1C ZINC000021916666 343778420 /nfs/dbraw/zinc/77/84/20/343778420.db2.gz VEKLPXIHURHXBI-UHFFFAOYSA-N 1 2 243.310 2.529 50 0 BFAALO COC(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089959 344389314 /nfs/dbraw/zinc/38/93/14/344389314.db2.gz MQTJULVUQDTCDP-JTQLQIEISA-N 1 2 247.294 2.599 50 0 BFAALO COC(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089959 344389315 /nfs/dbraw/zinc/38/93/15/344389315.db2.gz MQTJULVUQDTCDP-JTQLQIEISA-N 1 2 247.294 2.599 50 0 BFAALO Cc1c[nH+]ccc1NC(=O)Nc1ccc(O)cc1 ZINC000190173553 345969643 /nfs/dbraw/zinc/96/96/43/345969643.db2.gz SUJIKVCAUJHUDS-UHFFFAOYSA-N 1 2 243.266 2.740 50 0 BFAALO Clc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000003876309 346582240 /nfs/dbraw/zinc/58/22/40/346582240.db2.gz KUDLOMXCSUUBJR-UHFFFAOYSA-N 1 2 222.675 2.616 50 0 BFAALO Cc1ccccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000021917349 179298735 /nfs/dbraw/zinc/29/87/35/179298735.db2.gz PVFAQGNPKDZRFU-GFCCVEGCSA-N 1 2 243.310 2.781 50 0 BFAALO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccccc1C ZINC000037878786 179338469 /nfs/dbraw/zinc/33/84/69/179338469.db2.gz BIMLXZQAGWDUMP-LBPRGKRZSA-N 1 2 229.327 2.877 50 0 BFAALO Cc1c[nH+]ccc1NC(=O)N1CCCC1(C)C ZINC000095981994 179708480 /nfs/dbraw/zinc/70/84/80/179708480.db2.gz UPODDFJYXOYJII-UHFFFAOYSA-N 1 2 233.315 2.796 50 0 BFAALO Cc1[nH]c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000000371901 180078451 /nfs/dbraw/zinc/07/84/51/180078451.db2.gz MXJRRPABGUWERH-UHFFFAOYSA-N 1 2 200.163 2.890 50 0 BFAALO Cc1[nH]c2cc(C(F)(F)F)ccc2[nH+]1 ZINC000000371901 180078453 /nfs/dbraw/zinc/07/84/53/180078453.db2.gz MXJRRPABGUWERH-UHFFFAOYSA-N 1 2 200.163 2.890 50 0 BFAALO Cc1[nH]c2ccc(OC(F)(F)F)cc2[nH+]1 ZINC000027987176 180084530 /nfs/dbraw/zinc/08/45/30/180084530.db2.gz BSROJRWZJKELNS-UHFFFAOYSA-N 1 2 216.162 2.770 50 0 BFAALO Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC000000227350 188333749 /nfs/dbraw/zinc/33/37/49/188333749.db2.gz NFHQYILGZNOQSP-UHFFFAOYSA-N 1 2 236.702 2.924 50 0 BFAALO CC(C)Cn1cc(CNc2cc[nH+]cc2F)cn1 ZINC000170612162 188338850 /nfs/dbraw/zinc/33/88/50/188338850.db2.gz PAEYDYOFLVOSBV-UHFFFAOYSA-N 1 2 248.305 2.685 50 0 BFAALO CC(C)n1c[nH+]cc1-c1cccc(N)c1 ZINC000221506650 538562757 /nfs/dbraw/zinc/56/27/57/538562757.db2.gz CGHHPWZJXFZUPJ-UHFFFAOYSA-N 1 2 201.273 2.713 50 0 BFAALO Fc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000095967406 360341154 /nfs/dbraw/zinc/34/11/54/360341154.db2.gz DTIUGVKKTSVUKO-ZDUSSCGKSA-N 1 2 245.301 2.716 50 0 BFAALO Nc1c(-c2ccco2)[nH+]c2ccc(Cl)cn12 ZINC000036222241 360740999 /nfs/dbraw/zinc/74/09/99/360740999.db2.gz YMXXIMPLOXMBGH-UHFFFAOYSA-N 1 2 233.658 2.830 50 0 BFAALO Cc1ccc(C)c(NC2=[NH+]CCS2)c1 ZINC000000098516 383826380 /nfs/dbraw/zinc/82/63/80/383826380.db2.gz QPVRSAMBGOVYJE-UHFFFAOYSA-N 1 2 206.314 2.818 50 0 BFAALO Cc1c[nH+]ccc1NC(=O)c1c(F)cccc1F ZINC000071885868 383896662 /nfs/dbraw/zinc/89/66/62/383896662.db2.gz SXDYZHGFUKDOAM-UHFFFAOYSA-N 1 2 248.232 2.921 50 0 BFAALO c1cn(CCCOc2ccc3c(c2)CCC3)c[nH+]1 ZINC000004810559 384083846 /nfs/dbraw/zinc/08/38/46/384083846.db2.gz UEBAUGXRLBXJJE-UHFFFAOYSA-N 1 2 242.322 2.841 50 0 BFAALO [NH3+]C1SC(=S)N=C1c1ccccc1 ZINC000005934527 384136541 /nfs/dbraw/zinc/13/65/41/384136541.db2.gz DFBLEVVSFACJOY-UHFFFAOYSA-N 1 2 208.311 2.681 50 0 BFAALO CN(C)c1ccc(NC2CCCCC2)[nH+]c1 ZINC000097019308 384282909 /nfs/dbraw/zinc/28/29/09/384282909.db2.gz PRBYGXMGEPEPGC-UHFFFAOYSA-N 1 2 219.332 2.892 50 0 BFAALO c1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)n[nH]1 ZINC000020586909 384624313 /nfs/dbraw/zinc/62/43/13/384624313.db2.gz IBYKIICKDNOHCW-CQSZACIVSA-N 1 2 242.326 2.532 50 0 BFAALO c1cc(C[N@H+]2CCCC[C@@H]2c2cccnc2)n[nH]1 ZINC000020586909 384624318 /nfs/dbraw/zinc/62/43/18/384624318.db2.gz IBYKIICKDNOHCW-CQSZACIVSA-N 1 2 242.326 2.532 50 0 BFAALO CSCc1[nH+]ccn1Cc1ccccc1 ZINC000089493792 384787647 /nfs/dbraw/zinc/78/76/47/384787647.db2.gz VPKLBVODSCTTDJ-UHFFFAOYSA-N 1 2 218.325 2.794 50 0 BFAALO CC(=O)c1ccc2[nH]c[nH+]c3cccc1c23 ZINC000018167026 384943371 /nfs/dbraw/zinc/94/33/71/384943371.db2.gz FWCFFZJHXBVFMG-UHFFFAOYSA-N 1 2 210.236 2.919 50 0 BFAALO Cc1ccc(CNc2ccc[nH+]c2C)o1 ZINC000085711643 384964747 /nfs/dbraw/zinc/96/47/47/384964747.db2.gz LYDNSMOVJCIXOY-UHFFFAOYSA-N 1 2 202.257 2.904 50 0 BFAALO c1c(CSC2=NCCS2)[nH+]c2ccccn12 ZINC000000126074 385241360 /nfs/dbraw/zinc/24/13/60/385241360.db2.gz WXAQRAKHLPNLDV-UHFFFAOYSA-N 1 2 249.364 2.670 50 0 BFAALO COc1c(C)cc(-c2cccc(N)[nH+]2)cc1C ZINC000065489496 385314915 /nfs/dbraw/zinc/31/49/15/385314915.db2.gz QEIAAPPKQGNMDN-UHFFFAOYSA-N 1 2 228.295 2.956 50 0 BFAALO Cc1[nH]cc(-c2[nH]cnc2-c2ccccc2)[nH+]1 ZINC000065529944 385321171 /nfs/dbraw/zinc/32/11/71/385321171.db2.gz VCPCZPGUIXFJSY-UHFFFAOYSA-N 1 2 224.267 2.775 50 0 BFAALO Cc1c[nH]c([C@H](C)NC(=O)C2C(C)(C)C2(C)C)[nH+]1 ZINC000534586384 386644908 /nfs/dbraw/zinc/64/49/08/386644908.db2.gz CCSYWJBLKPUEST-VIFPVBQESA-N 1 2 249.358 2.578 50 0 BFAALO Cc1nc(C[N@@H+]2CCC[C@](C)(F)C2)oc1C ZINC000295354688 387115962 /nfs/dbraw/zinc/11/59/62/387115962.db2.gz IWJUGIHMVDXTDD-LBPRGKRZSA-N 1 2 226.295 2.615 50 0 BFAALO Cc1nc(C[N@H+]2CCC[C@](C)(F)C2)oc1C ZINC000295354688 387115968 /nfs/dbraw/zinc/11/59/68/387115968.db2.gz IWJUGIHMVDXTDD-LBPRGKRZSA-N 1 2 226.295 2.615 50 0 BFAALO CC(C)[C@H]1OCC[C@H]1CNc1cccc[nH+]1 ZINC000096453806 387462426 /nfs/dbraw/zinc/46/24/26/387462426.db2.gz XVCYMPDDGVYKPL-WCQYABFASA-N 1 2 220.316 2.555 50 0 BFAALO Cc1occc1SCCn1cc[nH+]c1 ZINC000131371597 388344974 /nfs/dbraw/zinc/34/49/74/388344974.db2.gz DHTSYHSXCULVIC-UHFFFAOYSA-N 1 2 208.286 2.577 50 0 BFAALO Cc1ccc(SCCn2cc[nH+]c2)cc1 ZINC000089639268 388357410 /nfs/dbraw/zinc/35/74/10/388357410.db2.gz GPTOTNKCCMYOOS-UHFFFAOYSA-N 1 2 218.325 2.984 50 0 BFAALO CSc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000076423037 388408584 /nfs/dbraw/zinc/40/85/84/388408584.db2.gz GEXCSQWONHKXGE-UHFFFAOYSA-N 1 2 234.324 2.684 50 0 BFAALO COCc1cc(CNc2cccc[nH+]2)ccc1F ZINC000301176268 388652742 /nfs/dbraw/zinc/65/27/42/388652742.db2.gz GEZZKHDATNSQGU-UHFFFAOYSA-N 1 2 246.285 2.979 50 0 BFAALO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000004087967 132316007 /nfs/dbraw/zinc/31/60/07/132316007.db2.gz BHGVTJFROQCXLB-VXGBXAGGSA-N 1 2 249.358 2.522 50 0 BFAALO CNc1nc(N2CCCCC2)[nH+]c2ccccc21 ZINC000041146675 132349513 /nfs/dbraw/zinc/34/95/13/132349513.db2.gz KAQTUJPEUXITRC-UHFFFAOYSA-N 1 2 242.326 2.662 50 0 BFAALO Brc1ccccc1Cn1cc[nH+]c1 ZINC000039438756 166103025 /nfs/dbraw/zinc/10/30/25/166103025.db2.gz OXQPWBLBKUIDOU-UHFFFAOYSA-N 1 2 237.100 2.694 50 0 BFAALO CC(C)Oc1cc(CNc2cccc[nH+]2)ccn1 ZINC000195575582 167286049 /nfs/dbraw/zinc/28/60/49/167286049.db2.gz DQKSYCUYACJBIQ-UHFFFAOYSA-N 1 2 243.310 2.876 50 0 BFAALO CCC(=O)Nc1cc[nH+]c(C(C)(C)C)c1 ZINC000041532024 168246669 /nfs/dbraw/zinc/24/66/69/168246669.db2.gz UGNSLYGHXIXOSO-UHFFFAOYSA-N 1 2 206.289 2.728 50 0 BFAALO COc1ccc(-c2cn3cc(N)ccc3[nH+]2)cc1 ZINC000019953375 175035807 /nfs/dbraw/zinc/03/58/07/175035807.db2.gz NAFZVODTEDRUAK-UHFFFAOYSA-N 1 2 239.278 2.592 50 0 BFAALO COc1ccc(CCc2[nH+]c(C)ccc2O)cc1 ZINC000000178847 175094028 /nfs/dbraw/zinc/09/40/28/175094028.db2.gz UYAJPYFQBAOQTC-UHFFFAOYSA-N 1 2 243.306 2.889 50 0 BFAALO COc1ccc(C[NH2+][C@H](C)c2cn[nH]c2C)cc1 ZINC000089544459 175111305 /nfs/dbraw/zinc/11/13/05/175111305.db2.gz ANOZBVWVNLGIHZ-SNVBAGLBSA-N 1 2 245.326 2.578 50 0 BFAALO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000336275368 487537650 /nfs/dbraw/zinc/53/76/50/487537650.db2.gz IZUBONNENREMDT-PWSUYJOCSA-N 1 2 226.295 2.868 50 0 BFAALO Cc1cnc([C@@H](C)[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000336275368 487537655 /nfs/dbraw/zinc/53/76/55/487537655.db2.gz IZUBONNENREMDT-PWSUYJOCSA-N 1 2 226.295 2.868 50 0 BFAALO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2C)no1 ZINC000669686777 487648238 /nfs/dbraw/zinc/64/82/38/487648238.db2.gz LKNHCBGEUPFJAG-LLVKDONJSA-N 1 2 231.299 2.537 50 0 BFAALO CCc1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000253416073 523947704 /nfs/dbraw/zinc/94/77/04/523947704.db2.gz WCEUEJABIAOXII-UHFFFAOYSA-N 1 2 242.322 2.748 50 0 BFAALO CSC1(CNc2cccc[nH+]2)CCC1 ZINC000227986565 525342087 /nfs/dbraw/zinc/34/20/87/525342087.db2.gz WICLNSSSZOKOBL-UHFFFAOYSA-N 1 2 208.330 2.779 50 0 BFAALO C[C@@H](CCc1ccc(O)cc1)[NH2+]N1CCCCC1 ZINC000023282483 632779421 /nfs/dbraw/zinc/77/94/21/632779421.db2.gz ZSKXVNJNYHKUOH-ZDUSSCGKSA-N 1 2 248.370 2.704 50 0 BFAALO c1cn2cc(-c3ccc4c(c3)CCN4)ccc2[nH+]1 ZINC000888096059 635367198 /nfs/dbraw/zinc/36/71/98/635367198.db2.gz QKDALTKGVGDNMK-UHFFFAOYSA-N 1 2 235.290 2.969 50 0 BFAALO CC[N@H+](Cc1ccc(C)o1)Cc1cnc(C)cn1 ZINC001506416696 988776970 /nfs/dbraw/zinc/77/69/70/988776970.db2.gz KOYBQHFGUFIQQP-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO CC[N@@H+](Cc1ccc(C)o1)Cc1cnc(C)cn1 ZINC001506416696 988776978 /nfs/dbraw/zinc/77/69/78/988776978.db2.gz KOYBQHFGUFIQQP-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO Cc1cc(C(=O)C[NH+]2CCCCC2)cc(C)c1O ZINC000071289244 398145667 /nfs/dbraw/zinc/14/56/67/398145667.db2.gz ZPLAVZIYVWQJAQ-UHFFFAOYSA-N 1 2 247.338 2.678 50 0 BFAALO Cc1cc(N(C)C)nc(-c2ccccc2)[nH+]1 ZINC000000300157 178095985 /nfs/dbraw/zinc/09/59/85/178095985.db2.gz HRNSXRZVZYSQQJ-UHFFFAOYSA-N 1 2 213.284 2.518 50 0 BFAALO Cc1cc(N)ccc1Oc1cc[nH+]cc1 ZINC000098209864 178107172 /nfs/dbraw/zinc/10/71/72/178107172.db2.gz BEYGONQIOREWBK-UHFFFAOYSA-N 1 2 200.241 2.765 50 0 BFAALO CSc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000040479452 346842327 /nfs/dbraw/zinc/84/23/27/346842327.db2.gz RTJKAOLSEVPOKR-NSHDSACASA-N 1 2 237.368 2.629 50 0 BFAALO CSc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000040479452 346842331 /nfs/dbraw/zinc/84/23/31/346842331.db2.gz RTJKAOLSEVPOKR-NSHDSACASA-N 1 2 237.368 2.629 50 0 BFAALO Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000002493368 342721197 /nfs/dbraw/zinc/72/11/97/342721197.db2.gz ZBMJKUZAILIVOY-UHFFFAOYSA-N 1 2 216.284 2.661 50 0 BFAALO NNc1nc(-c2ccc3ccccc3c2)cc[nH+]1 ZINC000012395093 342851078 /nfs/dbraw/zinc/85/10/78/342851078.db2.gz BLODZMUIAVERDN-UHFFFAOYSA-N 1 2 236.278 2.582 50 0 BFAALO CCCCOc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019635006 342952726 /nfs/dbraw/zinc/95/27/26/342952726.db2.gz NYZAGQBRGGNDHU-UHFFFAOYSA-N 1 2 249.354 2.698 50 0 BFAALO Cc1[nH]c(CN(CC(F)(F)F)C2CC2)[nH+]c1C ZINC000585136265 344148693 /nfs/dbraw/zinc/14/86/93/344148693.db2.gz YLHDIHITHADUJJ-UHFFFAOYSA-N 1 2 247.264 2.553 50 0 BFAALO Cc1nc(N2CCC(C(F)(F)F)CC2)cc[nH+]1 ZINC000078558661 344882104 /nfs/dbraw/zinc/88/21/04/344882104.db2.gz HTAMTZWORMKABA-UHFFFAOYSA-N 1 2 245.248 2.564 50 0 BFAALO CN(Cc1ccccn1)c1[nH]c2ccccc2[nH+]1 ZINC000091456339 345593182 /nfs/dbraw/zinc/59/31/82/345593182.db2.gz DWFVKLKLSNDLEI-UHFFFAOYSA-N 1 2 238.294 2.594 50 0 BFAALO CCc1nnc(C[NH2+][C@H](C)c2cc(C)oc2C)o1 ZINC000183775111 345940403 /nfs/dbraw/zinc/94/04/03/345940403.db2.gz BFJRQYWQOFISMU-SECBINFHSA-N 1 2 249.314 2.693 50 0 BFAALO CCc1[nH+]c(C)ccc1OCc1ccon1 ZINC000190774209 345984578 /nfs/dbraw/zinc/98/45/78/345984578.db2.gz LPHMHTGNEZXFHC-UHFFFAOYSA-N 1 2 218.256 2.519 50 0 BFAALO Cc1cccc(-n2c[nH+]c3cc(N)ccc32)c1 ZINC000001431382 179000725 /nfs/dbraw/zinc/00/07/25/179000725.db2.gz VFSVFGIODYZMOF-UHFFFAOYSA-N 1 2 223.279 2.916 50 0 in-vivo BFAALO Cc1cccc(C)c1OCCCn1cc[nH+]c1 ZINC000002496986 179046790 /nfs/dbraw/zinc/04/67/90/179046790.db2.gz MCCVPDUWEAWMEY-UHFFFAOYSA-N 1 2 230.311 2.969 50 0 BFAALO Cc1ccccc1-c1nc(C[NH+]2CCCC2)no1 ZINC000089696896 179238581 /nfs/dbraw/zinc/23/85/81/179238581.db2.gz KOSIOUMRWCRHJM-UHFFFAOYSA-N 1 2 243.310 2.641 50 0 BFAALO Cc1ccccc1OCCCn1cc[nH+]c1 ZINC000002493427 179310864 /nfs/dbraw/zinc/31/08/64/179310864.db2.gz YBLWYKUEVIWTFV-UHFFFAOYSA-N 1 2 216.284 2.661 50 0 BFAALO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C ZINC000012523641 180077577 /nfs/dbraw/zinc/07/75/77/180077577.db2.gz QIOYCRVQIQHGRR-UHFFFAOYSA-N 1 2 214.190 2.901 50 0 BFAALO Cc1[nH+]c2cc(F)cc(Br)c2n1C ZINC000217049550 180079721 /nfs/dbraw/zinc/07/97/21/180079721.db2.gz QHGFZYKKEKWZGQ-UHFFFAOYSA-N 1 2 243.079 2.783 50 0 BFAALO Nc1ccc2[nH]c(-c3ccc(O)cc3)[nH+]c2c1 ZINC000100001779 191061648 /nfs/dbraw/zinc/06/16/48/191061648.db2.gz KVQRXHJWOANHCL-UHFFFAOYSA-N 1 2 225.251 2.518 50 0 BFAALO CCc1[nH+]c(C)ccc1OCc1ncc(C)o1 ZINC000190769679 353712202 /nfs/dbraw/zinc/71/22/02/353712202.db2.gz DCYONQYTLZOGSZ-UHFFFAOYSA-N 1 2 232.283 2.828 50 0 BFAALO C1=C(c2ccccc2)N2CCC[NH+]=C2S1 ZINC000003091295 356366763 /nfs/dbraw/zinc/36/67/63/356366763.db2.gz XZWPLVUQTBSUBV-UHFFFAOYSA-N 1 2 216.309 2.794 50 0 BFAALO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000036901560 361577735 /nfs/dbraw/zinc/57/77/35/361577735.db2.gz QUDPFSVGUYHNBN-VIFPVBQESA-N 1 2 233.290 2.708 50 0 BFAALO Nc1ccc[nH+]c1Nc1ccc(F)cc1 ZINC000020317535 181759937 /nfs/dbraw/zinc/75/99/37/181759937.db2.gz KANSXBGVFUJMTJ-UHFFFAOYSA-N 1 2 203.220 2.547 50 0 BFAALO CCCCc1[nH+]c2ccccc2n1COC ZINC000013221403 169027965 /nfs/dbraw/zinc/02/79/65/169027965.db2.gz QCKBBUKUXFOPAU-UHFFFAOYSA-N 1 2 218.300 2.983 50 0 BFAALO CCCCn1cc[nH+]c1-c1cccc(N)c1 ZINC000037471397 169036612 /nfs/dbraw/zinc/03/66/12/169036612.db2.gz LRHJJGOYWNDWNP-UHFFFAOYSA-N 1 2 215.300 2.932 50 0 BFAALO O[C@@H]1CCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000195575367 183195392 /nfs/dbraw/zinc/19/53/92/183195392.db2.gz IQAYUXVPACNULT-QWHCGFSZSA-N 1 2 228.295 2.560 50 0 BFAALO Oc1ccc([NH2+]C2Cc3ccccc3C2)cc1 ZINC000000009651 183274863 /nfs/dbraw/zinc/27/48/63/183274863.db2.gz CVVPWRFPKHOFEY-UHFFFAOYSA-N 1 2 225.291 2.972 50 0 BFAALO CCC[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067774935 169354267 /nfs/dbraw/zinc/35/42/67/169354267.db2.gz SDWGBWCWIPMRIM-SNVBAGLBSA-N 1 2 235.331 2.594 50 0 BFAALO FC(F)(F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000000162191 383836134 /nfs/dbraw/zinc/83/61/34/383836134.db2.gz FUJKJTAYTFLIDA-UHFFFAOYSA-N 1 2 212.174 2.891 50 0 BFAALO Cc1ccc([C@@H](O)c2c[nH+]c(C(C)C)n2C)cc1 ZINC000000372979 384152689 /nfs/dbraw/zinc/15/26/89/384152689.db2.gz VYJBNUIOSKMFRF-CQSZACIVSA-N 1 2 244.338 2.934 50 0 BFAALO C=Cc1cccc(-c2[nH+]ccn2CCCO)c1 ZINC000071752515 384176778 /nfs/dbraw/zinc/17/67/78/384176778.db2.gz VWQLSWBEIPULGZ-UHFFFAOYSA-N 1 2 228.295 2.576 50 0 BFAALO FC(F)(F)Cn1cc[nH+]c1-c1ccncc1 ZINC000071749271 384176792 /nfs/dbraw/zinc/17/67/92/384176792.db2.gz ZHWMSUANZPGOHE-UHFFFAOYSA-N 1 2 227.189 2.507 50 0 BFAALO CCCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000041147274 384180623 /nfs/dbraw/zinc/18/06/23/384180623.db2.gz MSXYBGRCFPRKSI-UHFFFAOYSA-N 1 2 244.342 2.908 50 0 BFAALO Fc1ccc(-c2n[nH]cc2-c2[nH]cc[nH+]2)c(F)c1 ZINC000072165675 384198101 /nfs/dbraw/zinc/19/81/01/384198101.db2.gz DJYVZMJISMIEOA-UHFFFAOYSA-N 1 2 246.220 2.745 50 0 BFAALO CC[C@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000019903476 384554382 /nfs/dbraw/zinc/55/43/82/384554382.db2.gz QGOHFKDBVLSCRH-VIFPVBQESA-N 1 2 209.289 2.914 50 0 BFAALO c1ccc(N2CC[C@@H]3CCCC[C@@H]32)[nH+]c1 ZINC000080972557 384732846 /nfs/dbraw/zinc/73/28/46/384732846.db2.gz ZCFZTNRSWIDGOO-RYUDHWBXSA-N 1 2 202.301 2.851 50 0 BFAALO CC[C@H](NC(=O)c1cccs1)c1[nH]cc(C)[nH+]1 ZINC000215606973 385847209 /nfs/dbraw/zinc/84/72/09/385847209.db2.gz AHEGZYYSYXQDQQ-VIFPVBQESA-N 1 2 249.339 2.661 50 0 BFAALO Cc1ccc(F)cc1-c1ccc(N)[nH+]c1 ZINC000052886378 386731610 /nfs/dbraw/zinc/73/16/10/386731610.db2.gz GCMNFEOKZOKLES-UHFFFAOYSA-N 1 2 202.232 2.778 50 0 BFAALO CC[C@H]([NH2+]Cc1nnc(C)o1)c1cccs1 ZINC000184062489 386758219 /nfs/dbraw/zinc/75/82/19/386758219.db2.gz XMZZYSRHXRPGOA-VIFPVBQESA-N 1 2 237.328 2.680 50 0 BFAALO Cc1nc(C[N@@H+]2CCC[C@@](C)(F)C2)oc1C ZINC000295354684 387116854 /nfs/dbraw/zinc/11/68/54/387116854.db2.gz IWJUGIHMVDXTDD-GFCCVEGCSA-N 1 2 226.295 2.615 50 0 BFAALO Cc1nc(C[N@H+]2CCC[C@@](C)(F)C2)oc1C ZINC000295354684 387116859 /nfs/dbraw/zinc/11/68/59/387116859.db2.gz IWJUGIHMVDXTDD-GFCCVEGCSA-N 1 2 226.295 2.615 50 0 BFAALO COc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2C)cc1 ZINC000089544460 387304123 /nfs/dbraw/zinc/30/41/23/387304123.db2.gz ANOZBVWVNLGIHZ-JTQLQIEISA-N 1 2 245.326 2.578 50 0 BFAALO COc1ncccc1-c1cccc2[nH+]c(C)cn21 ZINC000426612447 387582952 /nfs/dbraw/zinc/58/29/52/387582952.db2.gz BCMCGZZZGKZGNY-UHFFFAOYSA-N 1 2 239.278 2.713 50 0 BFAALO Cc1ccc(C)c(OCCn2cc[nH+]c2)c1 ZINC000000431552 387691781 /nfs/dbraw/zinc/69/17/81/387691781.db2.gz KNUNBYRXGBIQHS-UHFFFAOYSA-N 1 2 216.284 2.579 50 0 BFAALO Cc1noc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)n1 ZINC000042541159 388097564 /nfs/dbraw/zinc/09/75/64/388097564.db2.gz FROHJBBSIDZRDG-SECBINFHSA-N 1 2 249.289 2.710 50 0 BFAALO Cc1noc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)n1 ZINC000042541159 388097566 /nfs/dbraw/zinc/09/75/66/388097566.db2.gz FROHJBBSIDZRDG-SECBINFHSA-N 1 2 249.289 2.710 50 0 BFAALO C[C@H]([NH2+]Cc1ccon1)c1ccccc1N(C)C ZINC000093946501 388747673 /nfs/dbraw/zinc/74/76/73/388747673.db2.gz APDXKJJGXKYGBB-NSHDSACASA-N 1 2 245.326 2.591 50 0 BFAALO c1ccc(NCCC[C@H]2CCCCO2)[nH+]c1 ZINC000302238580 388840636 /nfs/dbraw/zinc/84/06/36/388840636.db2.gz WTOHKZDVOKYSDO-GFCCVEGCSA-N 1 2 220.316 2.843 50 0 BFAALO CC(=O)c1cc([N@@H+]2CCC[C@@H](C)C2)ccc1N ZINC000008730159 132319257 /nfs/dbraw/zinc/31/92/57/132319257.db2.gz BWFZBTKGMUYYLX-SNVBAGLBSA-N 1 2 232.327 2.708 50 0 BFAALO CC(=O)c1cc([N@H+]2CCC[C@@H](C)C2)ccc1N ZINC000008730159 132319259 /nfs/dbraw/zinc/31/92/59/132319259.db2.gz BWFZBTKGMUYYLX-SNVBAGLBSA-N 1 2 232.327 2.708 50 0 BFAALO Nc1ccc(N2CCCc3ccccc32)[nH+]c1 ZINC000011568720 132319401 /nfs/dbraw/zinc/31/94/01/132319401.db2.gz QPGPWDYYRQUBJT-UHFFFAOYSA-N 1 2 225.295 2.748 50 0 BFAALO Clc1ccccc1OCCn1cc[nH+]c1 ZINC000000433334 397914689 /nfs/dbraw/zinc/91/46/89/397914689.db2.gz QDDVZLYUUMSBEC-UHFFFAOYSA-N 1 2 222.675 2.616 50 0 BFAALO C(=C/Cn1cc[nH+]c1)\COc1ccccc1 ZINC000016623789 166225355 /nfs/dbraw/zinc/22/53/55/166225355.db2.gz KCQSEJGTEHINMX-SNAWJCMRSA-N 1 2 214.268 2.518 50 0 BFAALO CC1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000048341292 168185102 /nfs/dbraw/zinc/18/51/02/168185102.db2.gz XIMBCFHMZQXYLQ-UHFFFAOYSA-N 1 2 237.347 2.599 50 0 BFAALO CCC(=O)c1cccc(-c2cccc(N)[nH+]2)c1 ZINC000032547728 168257938 /nfs/dbraw/zinc/25/79/38/168257938.db2.gz ZLAUGYBCEGOPHP-UHFFFAOYSA-N 1 2 226.279 2.924 50 0 BFAALO CC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000065612945 170004779 /nfs/dbraw/zinc/00/47/79/170004779.db2.gz XRQOCOOOUBGDQN-GFCCVEGCSA-N 1 2 225.719 2.733 50 0 BFAALO CC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000065612945 170004780 /nfs/dbraw/zinc/00/47/80/170004780.db2.gz XRQOCOOOUBGDQN-GFCCVEGCSA-N 1 2 225.719 2.733 50 0 BFAALO CC[C@H](C)[N@H+](Cc1cnc[nH]1)Cc1cccnc1 ZINC000055196074 171316340 /nfs/dbraw/zinc/31/63/40/171316340.db2.gz LNFKCNVWNMWXBS-LBPRGKRZSA-N 1 2 244.342 2.605 50 0 BFAALO CC[C@H](C)[N@@H+](Cc1cnc[nH]1)Cc1cccnc1 ZINC000055196074 171316341 /nfs/dbraw/zinc/31/63/41/171316341.db2.gz LNFKCNVWNMWXBS-LBPRGKRZSA-N 1 2 244.342 2.605 50 0 BFAALO CCc1cc(OCCCO)c2ccccc2[nH+]1 ZINC000095988732 171773145 /nfs/dbraw/zinc/77/31/45/171773145.db2.gz WUEKRVFEYPIRIQ-UHFFFAOYSA-N 1 2 231.295 2.558 50 0 BFAALO CCc1nc([C@@H]2CCC[N@@H+]2CC=C(C)C)no1 ZINC000072279335 172005050 /nfs/dbraw/zinc/00/50/50/172005050.db2.gz IELPDQFMEYXAMC-NSHDSACASA-N 1 2 235.331 2.735 50 0 BFAALO CCc1nc([C@@H]2CCC[N@H+]2CC=C(C)C)no1 ZINC000072279335 172005051 /nfs/dbraw/zinc/00/50/51/172005051.db2.gz IELPDQFMEYXAMC-NSHDSACASA-N 1 2 235.331 2.735 50 0 BFAALO C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000019929688 173166399 /nfs/dbraw/zinc/16/63/99/173166399.db2.gz KFCWIHUDWIRLEE-UHFFFAOYSA-N 1 2 220.703 2.809 50 0 biogenic BFAALO C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000019929688 173166401 /nfs/dbraw/zinc/16/64/01/173166401.db2.gz KFCWIHUDWIRLEE-UHFFFAOYSA-N 1 2 220.703 2.809 50 0 biogenic BFAALO COc1cccc(OC)c1Oc1cc[nH+]cc1 ZINC000071773175 175282573 /nfs/dbraw/zinc/28/25/73/175282573.db2.gz NBKUEAARIVSWLH-UHFFFAOYSA-N 1 2 231.251 2.891 50 0 BFAALO C[C@@H]1C[NH+](Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000019607042 176303273 /nfs/dbraw/zinc/30/32/73/176303273.db2.gz KNIIMCBPRMMBRM-GHMZBOCLSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)[C@H](C)CO1 ZINC000045784347 176305728 /nfs/dbraw/zinc/30/57/28/176305728.db2.gz UEEJOQPFVHHBPB-GHMZBOCLSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)[C@H](C)CO1 ZINC000045784347 176305729 /nfs/dbraw/zinc/30/57/29/176305729.db2.gz UEEJOQPFVHHBPB-GHMZBOCLSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@H](c1nc(-c2ccsc2)no1)n1cc[nH+]c1 ZINC000078773711 177052000 /nfs/dbraw/zinc/05/20/00/177052000.db2.gz QRTCFHIKCZISKD-MRVPVSSYSA-N 1 2 246.295 2.604 50 0 BFAALO C[C@H]1C[NH+](Cc2ccccc2Cl)C[C@H](C)O1 ZINC000019607244 177265692 /nfs/dbraw/zinc/26/56/92/177265692.db2.gz WIZYVZWLXIGLSO-QWRGUYRKSA-N 1 2 239.746 2.949 50 0 BFAALO CC(C)Cc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000088296645 519438933 /nfs/dbraw/zinc/43/89/33/519438933.db2.gz JVXGDVJJRJDTCZ-UHFFFAOYSA-N 1 2 243.354 2.898 50 0 BFAALO CCCC[C@@H](CC)COCC[NH+]1CCOCC1 ZINC000019911996 521035017 /nfs/dbraw/zinc/03/50/17/521035017.db2.gz YAQPSASHYXBWDP-CQSZACIVSA-N 1 2 243.391 2.552 50 0 BFAALO COC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccc(C)o1 ZINC000078975473 522361798 /nfs/dbraw/zinc/36/17/98/522361798.db2.gz PLXVAVXHVDNDLR-CYBMUJFWSA-N 1 2 249.310 2.967 50 0 BFAALO COC(=O)c1cccc(-c2c[nH+]cn2C(C)C)c1 ZINC000261167618 582903705 /nfs/dbraw/zinc/90/37/05/582903705.db2.gz XUPZGHQIYOHDSL-UHFFFAOYSA-N 1 2 244.294 2.918 50 0 BFAALO Fc1ccccc1OCCCCn1cc[nH+]c1 ZINC000002494391 642394954 /nfs/dbraw/zinc/39/49/54/642394954.db2.gz ZYADNRUQSAZGRS-UHFFFAOYSA-N 1 2 234.274 2.881 50 0 BFAALO CCCO[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC001506416016 988780534 /nfs/dbraw/zinc/78/05/34/988780534.db2.gz CUBATWUROCBYSS-LLVKDONJSA-N 1 2 238.306 2.616 50 0 BFAALO Cc1cc(NC(=O)/C=C/c2ccco2)cc[nH+]1 ZINC000075290327 178123684 /nfs/dbraw/zinc/12/36/84/178123684.db2.gz JKLMVVBUGYLAPO-SNAWJCMRSA-N 1 2 228.251 2.635 50 0 BFAALO Cn1c2ccccc2[nH+]c1NCc1ccccn1 ZINC000000350249 342684662 /nfs/dbraw/zinc/68/46/62/342684662.db2.gz ASLWKAGVMWDGJA-UHFFFAOYSA-N 1 2 238.294 2.580 50 0 BFAALO CC(C)c1[nH+]cc([C@@H](O)c2ccccc2)n1C ZINC000000525749 342689390 /nfs/dbraw/zinc/68/93/90/342689390.db2.gz PBOSUJQHYYRGHM-ZDUSSCGKSA-N 1 2 230.311 2.625 50 0 BFAALO Cc1ccc(Nc2ccc[nH]c2=S)[nH+]c1 ZINC000005798939 342770116 /nfs/dbraw/zinc/77/01/16/342770116.db2.gz YSXYDGMGWSKWPS-UHFFFAOYSA-N 1 2 217.297 2.817 50 0 BFAALO Nc1ccc([NH+]2CCCC2)cc1C(F)(F)F ZINC000022150121 343042793 /nfs/dbraw/zinc/04/27/93/343042793.db2.gz VBKPAONDJVLHIO-UHFFFAOYSA-N 1 2 230.233 2.888 50 0 BFAALO Cc1cc(C[N@@H+](C)Cc2ccccc2)no1 ZINC000048375488 343256332 /nfs/dbraw/zinc/25/63/32/343256332.db2.gz YGWJPPKMZAZYAW-UHFFFAOYSA-N 1 2 216.284 2.615 50 0 BFAALO Cc1cc(C[N@H+](C)Cc2ccccc2)no1 ZINC000048375488 343256333 /nfs/dbraw/zinc/25/63/33/343256333.db2.gz YGWJPPKMZAZYAW-UHFFFAOYSA-N 1 2 216.284 2.615 50 0 BFAALO CC(=O)Nc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000026440380 187254699 /nfs/dbraw/zinc/25/46/99/187254699.db2.gz VGMUQMCQCPFXNQ-UHFFFAOYSA-N 1 2 217.272 2.645 50 0 BFAALO Nc1cc[nH+]c2c(OC(F)(F)F)cccc12 ZINC000036075561 343308281 /nfs/dbraw/zinc/30/82/81/343308281.db2.gz TXQDWAKYWHIPPR-UHFFFAOYSA-N 1 2 228.173 2.716 50 0 BFAALO Clc1cc2[nH+]ccn2cc1Br ZINC000038534261 343376273 /nfs/dbraw/zinc/37/62/73/343376273.db2.gz KSAJQCCWMBQXFB-UHFFFAOYSA-N 1 2 231.480 2.750 50 0 BFAALO Cc1cc2cccnc2c(NCc2[nH]cc[nH+]2)c1 ZINC000092850036 345824590 /nfs/dbraw/zinc/82/45/90/345824590.db2.gz HCIJGXJVRAKRPH-UHFFFAOYSA-N 1 2 238.294 2.878 50 0 BFAALO CCc1nnc(C[NH2+][C@@H](C)c2cc(C)oc2C)o1 ZINC000183775097 345940236 /nfs/dbraw/zinc/94/02/36/345940236.db2.gz BFJRQYWQOFISMU-VIFPVBQESA-N 1 2 249.314 2.693 50 0 BFAALO Cc1cccc(C)c1NC1=[NH+]CCS1 ZINC000013835955 179043944 /nfs/dbraw/zinc/04/39/44/179043944.db2.gz VLUXBNSRYHXDBV-UHFFFAOYSA-N 1 2 206.314 2.818 50 0 BFAALO Cc1cccc(OCCn2cc[nH+]c2)c1C ZINC000000433524 179170022 /nfs/dbraw/zinc/17/00/22/179170022.db2.gz VWWPZURXJNBUBW-UHFFFAOYSA-N 1 2 216.284 2.579 50 0 BFAALO Cc1ccccc1OC/C=C/Cn1cc[nH+]c1 ZINC000016623750 179309926 /nfs/dbraw/zinc/30/99/26/179309926.db2.gz BSPDIPGVFCBBDC-SNAWJCMRSA-N 1 2 228.295 2.827 50 0 BFAALO Cn1c[nH+]cc1CNc1ccc(F)c(Cl)c1 ZINC000075877601 180788333 /nfs/dbraw/zinc/78/83/33/180788333.db2.gz XPPHWVPXYWOUGL-UHFFFAOYSA-N 1 2 239.681 2.825 50 0 BFAALO Nc1c2ccc(Cl)cc2[nH+]c2c1C(=O)CCC2 ZINC000001461597 355776461 /nfs/dbraw/zinc/77/64/61/355776461.db2.gz YTFJCNVHRDEWJN-UHFFFAOYSA-N 1 2 246.697 2.989 50 0 BFAALO Cc1cc(NC(=O)NCc2cccs2)cc[nH+]1 ZINC000074754236 356667984 /nfs/dbraw/zinc/66/79/84/356667984.db2.gz QEUOSLNVGCIVPK-UHFFFAOYSA-N 1 2 247.323 2.773 50 0 BFAALO C[C@H](CC(=O)OCc1ccccc1)n1cc[nH+]c1 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Nc1ccc(-c2cc(F)ccc2F)c[nH+]1 ZINC000052886399 384753136 /nfs/dbraw/zinc/75/31/36/384753136.db2.gz FTTZOAFANBWLJT-UHFFFAOYSA-N 1 2 206.195 2.609 50 0 BFAALO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccsc2)o1 ZINC000048253145 384760652 /nfs/dbraw/zinc/76/06/52/384760652.db2.gz YFAMTESQNGGCNB-LLVKDONJSA-N 1 2 249.339 2.777 50 0 BFAALO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccsc2)o1 ZINC000048253145 384760661 /nfs/dbraw/zinc/76/06/61/384760661.db2.gz YFAMTESQNGGCNB-LLVKDONJSA-N 1 2 249.339 2.777 50 0 BFAALO Nc1ccccc1Cc1[nH]c2ccccc2[nH+]1 ZINC000053200451 384772480 /nfs/dbraw/zinc/77/24/80/384772480.db2.gz PAHMGEWDYDMVLE-UHFFFAOYSA-N 1 2 223.279 2.736 50 0 BFAALO CC(C)C(=O)Nc1ccccc1Cn1cc[nH+]c1 ZINC000058049605 384984049 /nfs/dbraw/zinc/98/40/49/384984049.db2.gz JNDRGRLLRBTYTJ-UHFFFAOYSA-N 1 2 243.310 2.526 50 0 BFAALO Nc1ccc(-c2[nH+]ccn2C(F)F)cc1 ZINC000061681054 385132312 /nfs/dbraw/zinc/13/23/12/385132312.db2.gz IVFVIYREGQJGGV-UHFFFAOYSA-N 1 2 209.199 2.527 50 0 BFAALO CC(C)[C@H]1OCC[C@@H]1CNc1cccc[nH+]1 ZINC000096453808 385175934 /nfs/dbraw/zinc/17/59/34/385175934.db2.gz XVCYMPDDGVYKPL-DGCLKSJQSA-N 1 2 220.316 2.555 50 0 BFAALO c1ccc(NCCC[C@@H]2CCCCO2)[nH+]c1 ZINC000302238583 385886465 /nfs/dbraw/zinc/88/64/65/385886465.db2.gz WTOHKZDVOKYSDO-LBPRGKRZSA-N 1 2 220.316 2.843 50 0 BFAALO CCCc1ccc(CN(C)Cc2[nH]cc(C)[nH+]2)o1 ZINC000216203753 385863707 /nfs/dbraw/zinc/86/37/07/385863707.db2.gz FVHUSDQJUKWRCZ-UHFFFAOYSA-N 1 2 247.342 2.896 50 0 BFAALO CCn1nc(C)c(-c2ccc(N(C)C)[nH+]c2)c1C ZINC000426642881 387582208 /nfs/dbraw/zinc/58/22/08/387582208.db2.gz KJYLWJFDZACGPA-UHFFFAOYSA-N 1 2 244.342 2.648 50 0 BFAALO c1ccc(N2CC[C@H]3CCCC[C@H]32)[nH+]c1 ZINC000225261583 387941646 /nfs/dbraw/zinc/94/16/46/387941646.db2.gz ZCFZTNRSWIDGOO-VXGBXAGGSA-N 1 2 202.301 2.851 50 0 BFAALO CC[C@H]1C[N@H+](Cc2csc(C)n2)CCS1 ZINC000076073583 388472162 /nfs/dbraw/zinc/47/21/62/388472162.db2.gz NKYNMKBLKZKIHH-NSHDSACASA-N 1 2 242.413 2.779 50 0 BFAALO CC[C@H]1C[N@@H+](Cc2csc(C)n2)CCS1 ZINC000076073583 388472165 /nfs/dbraw/zinc/47/21/65/388472165.db2.gz NKYNMKBLKZKIHH-NSHDSACASA-N 1 2 242.413 2.779 50 0 BFAALO C[C@@H](Cc1ccc(F)cc1)Nc1c[nH]c[nH+]1 ZINC000225510854 388594637 /nfs/dbraw/zinc/59/46/37/388594637.db2.gz HEAQJRQWZHBVJN-VIFPVBQESA-N 1 2 219.263 2.592 50 0 BFAALO CCOCCn1c(CC)[nH+]c2ccccc21 ZINC000002342277 388596121 /nfs/dbraw/zinc/59/61/21/388596121.db2.gz VOKKQIYRYQKOQX-UHFFFAOYSA-N 1 2 218.300 2.635 50 0 BFAALO CCc1ccc(C[N@@H+]2CCOCC23CCC3)o1 ZINC000093510102 388744765 /nfs/dbraw/zinc/74/47/65/388744765.db2.gz SQTMATHRFAWZID-UHFFFAOYSA-N 1 2 235.327 2.597 50 0 BFAALO CCc1ccc(C[N@H+]2CCOCC23CCC3)o1 ZINC000093510102 388744767 /nfs/dbraw/zinc/74/47/67/388744767.db2.gz SQTMATHRFAWZID-UHFFFAOYSA-N 1 2 235.327 2.597 50 0 BFAALO COC[C@@H](C)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000097095662 410053260 /nfs/dbraw/zinc/05/32/60/410053260.db2.gz IBILHIOVZIOHPD-LLVKDONJSA-N 1 2 245.326 2.534 50 0 BFAALO Brc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000000459533 166096454 /nfs/dbraw/zinc/09/64/54/166096454.db2.gz YLIOAWKNPLJMID-UHFFFAOYSA-N 1 2 223.073 2.839 50 0 in-vitro BFAALO Brc1c[nH+]c2n1CCCCCC2 ZINC000067802426 166104933 /nfs/dbraw/zinc/10/49/33/166104933.db2.gz CAZAWBMVQUOTOG-UHFFFAOYSA-N 1 2 229.121 2.762 50 0 BFAALO CCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2CC ZINC000000318002 168251684 /nfs/dbraw/zinc/25/16/84/168251684.db2.gz REKTZBFFXIJXHC-UHFFFAOYSA-N 1 2 232.283 2.680 50 0 BFAALO C[N@@H+]1CCO[C@@]12CCCC[C@H]2Oc1ccccc1 ZINC000257356478 173104236 /nfs/dbraw/zinc/10/42/36/173104236.db2.gz IHEOZRCZMDIADV-HUUCEWRRSA-N 1 2 247.338 2.666 50 0 BFAALO C[N@H+]1CCO[C@@]12CCCC[C@H]2Oc1ccccc1 ZINC000257356478 173104239 /nfs/dbraw/zinc/10/42/39/173104239.db2.gz IHEOZRCZMDIADV-HUUCEWRRSA-N 1 2 247.338 2.666 50 0 BFAALO COCCSCc1[nH+]cc(C)c(OC)c1C ZINC000089702211 174376739 /nfs/dbraw/zinc/37/67/39/174376739.db2.gz MMEBMRTWWUCFIN-UHFFFAOYSA-N 1 2 241.356 2.587 50 0 BFAALO COc1ccc(NC2=[NH+]C(C)(C)CS2)cc1 ZINC000003228244 175149768 /nfs/dbraw/zinc/14/97/68/175149768.db2.gz FRUWZSGHJPNFEC-UHFFFAOYSA-N 1 2 236.340 2.989 50 0 BFAALO COc1cccc(-c2c[nH]c(C)[nH+]2)c1F ZINC000032576409 175233455 /nfs/dbraw/zinc/23/34/55/175233455.db2.gz RXWNOFXCFPBZCX-UHFFFAOYSA-N 1 2 206.220 2.533 50 0 BFAALO C[C@H]1C[NH+](Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000023114703 177263467 /nfs/dbraw/zinc/26/34/67/177263467.db2.gz CVNSXCFVYUQSAW-UWVGGRQHSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)[C@@H](C)CO1 ZINC000109022659 177302246 /nfs/dbraw/zinc/30/22/46/177302246.db2.gz UEEJOQPFVHHBPB-WDEREUQCSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)[C@@H](C)CO1 ZINC000109022659 177302248 /nfs/dbraw/zinc/30/22/48/177302248.db2.gz UEEJOQPFVHHBPB-WDEREUQCSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@@H](c1nc(-c2ccccc2)no1)n1cc[nH+]c1 ZINC000071778950 487588235 /nfs/dbraw/zinc/58/82/35/487588235.db2.gz WBUQQHHCNJKQPS-JTQLQIEISA-N 1 2 240.266 2.542 50 0 BFAALO O=Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000019094241 136208341 /nfs/dbraw/zinc/20/83/41/136208341.db2.gz VQYFXWXCZMIEAN-UHFFFAOYSA-N 1 2 244.294 2.555 50 0 BFAALO Cc1cc2[nH+]c[nH]c2cc1Br ZINC000062152741 178277160 /nfs/dbraw/zinc/27/71/60/178277160.db2.gz ZQHHVSZEBVWTRO-UHFFFAOYSA-N 1 2 211.062 2.634 50 0 BFAALO Cc1nn(C[N@H+]2CCC[C@@H](C)C2)c(=S)s1 ZINC000033029231 538951094 /nfs/dbraw/zinc/95/10/94/538951094.db2.gz JOGXSCJRHJXTGK-MRVPVSSYSA-N 1 2 243.401 2.672 50 0 BFAALO Cc1nn(C[N@@H+]2CCC[C@@H](C)C2)c(=S)s1 ZINC000033029231 538951096 /nfs/dbraw/zinc/95/10/96/538951096.db2.gz JOGXSCJRHJXTGK-MRVPVSSYSA-N 1 2 243.401 2.672 50 0 BFAALO Nc1c(Br)c[nH+]c2ccccc12 ZINC000000331160 342683570 /nfs/dbraw/zinc/68/35/70/342683570.db2.gz TYGUEEGQSYNEHB-UHFFFAOYSA-N 1 2 223.073 2.580 50 0 in-vitro BFAALO Cc1cc(C)n(CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000000405759 342687018 /nfs/dbraw/zinc/68/70/18/342687018.db2.gz HQLLOOUJIPKQTD-UHFFFAOYSA-N 1 2 240.310 2.619 50 0 BFAALO Fc1cccc(Cl)c1Cn1cc[nH+]c1 ZINC000004385932 342747482 /nfs/dbraw/zinc/74/74/82/342747482.db2.gz WVFQLVIXKSHYTH-UHFFFAOYSA-N 1 2 210.639 2.724 50 0 BFAALO CCCCCn1c2ccccc2[nH+]c1CCO ZINC000015922106 342902961 /nfs/dbraw/zinc/90/29/61/342902961.db2.gz UULKIMYUZDOTAZ-UHFFFAOYSA-N 1 2 232.327 2.761 50 0 BFAALO Fc1cccc(CNc2cccc[nH+]2)c1 ZINC000019772622 342957084 /nfs/dbraw/zinc/95/70/84/342957084.db2.gz RSZUKMLGWHHWEY-UHFFFAOYSA-N 1 2 202.232 2.833 50 0 BFAALO Cc1c(Br)c[nH+]c2c1CCCN2 ZINC000032915112 343244312 /nfs/dbraw/zinc/24/43/12/343244312.db2.gz LOZNNBXDTGTNJW-UHFFFAOYSA-N 1 2 227.105 2.511 50 0 BFAALO Nc1cc2cc(Br)ccc2c[nH+]1 ZINC000035270064 343291378 /nfs/dbraw/zinc/29/13/78/343291378.db2.gz PQKLBIXLXFRNKT-UHFFFAOYSA-N 1 2 223.073 2.580 50 0 BFAALO Nc1[nH+]ccc2cc(C(F)(F)F)ccc12 ZINC000036258026 343313057 /nfs/dbraw/zinc/31/30/57/343313057.db2.gz DPYKWKCCUGWJCZ-UHFFFAOYSA-N 1 2 212.174 2.836 50 0 BFAALO Cc1cn2cc(Br)c(C)cc2[nH+]1 ZINC000036243588 343313247 /nfs/dbraw/zinc/31/32/47/343313247.db2.gz NMERPDYDFXTSQG-UHFFFAOYSA-N 1 2 225.089 2.714 50 0 BFAALO COC(=O)CCCn1cc[nH+]c1-c1ccccc1 ZINC000038302783 343373788 /nfs/dbraw/zinc/37/37/88/343373788.db2.gz MZZXGGIGIAYECE-UHFFFAOYSA-N 1 2 244.294 2.503 50 0 BFAALO CCCc1ccc([C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000041256306 343417796 /nfs/dbraw/zinc/41/77/96/343417796.db2.gz SBMMRMXIJVRSQU-AWEZNQCLSA-N 1 2 230.311 2.569 50 0 BFAALO C[C@@H](CC(=O)Nc1cccc(F)c1)n1cc[nH+]c1 ZINC000021917328 343778440 /nfs/dbraw/zinc/77/84/40/343778440.db2.gz MJHXIXMUQJRGMN-JTQLQIEISA-N 1 2 247.273 2.612 50 0 BFAALO Cc1ccc([C@H](O)c2c[nH+]c(C(C)C)n2C)cc1 ZINC000000372976 344734336 /nfs/dbraw/zinc/73/43/36/344734336.db2.gz VYJBNUIOSKMFRF-AWEZNQCLSA-N 1 2 244.338 2.934 50 0 BFAALO Cc1cccc(C)c1COCc1[nH]cc[nH+]1 ZINC000095990962 179039221 /nfs/dbraw/zinc/03/92/21/179039221.db2.gz HLSTZFBLVWGGQO-UHFFFAOYSA-N 1 2 216.284 2.743 50 0 BFAALO Cc1cccc(C[C@H](CO)c2ccccc2)[nH+]1 ZINC000000393461 179105893 /nfs/dbraw/zinc/10/58/93/179105893.db2.gz QVNGRAVUWMOPLO-CQSZACIVSA-N 1 2 227.307 2.709 50 0 BFAALO Cc1ccccc1-c1ncc(-c2[nH]cc[nH+]2)cn1 ZINC000067674008 179240246 /nfs/dbraw/zinc/24/02/46/179240246.db2.gz YVGQVLYPLNOOTK-UHFFFAOYSA-N 1 2 236.278 2.842 50 0 BFAALO Cc1nc(NCC2CCOCC2)cc(C(C)C)[nH+]1 ZINC000065434031 180017535 /nfs/dbraw/zinc/01/75/35/180017535.db2.gz WEZRIKDZVHBHED-UHFFFAOYSA-N 1 2 249.358 2.747 50 0 BFAALO Cc1[nH]c2ccc(NC(=O)CC(C)C)cc2[nH+]1 ZINC000074819671 180082691 /nfs/dbraw/zinc/08/26/91/180082691.db2.gz PEXFRSXMECUZLK-UHFFFAOYSA-N 1 2 231.299 2.856 50 0 BFAALO Cc1ccsc1CNc1cc[nH+]c(C)n1 ZINC000085485873 180202442 /nfs/dbraw/zinc/20/24/42/180202442.db2.gz IIBBKPCGXJBMIN-UHFFFAOYSA-N 1 2 219.313 2.767 50 0 BFAALO COc1ccc(CNc2cccc[nH+]2)cc1OC ZINC000001847056 188274377 /nfs/dbraw/zinc/27/43/77/188274377.db2.gz UGXGHCBYVTVEOZ-UHFFFAOYSA-N 1 2 244.294 2.711 50 0 BFAALO Nc1ccc2[nH]c(-c3ccccc3O)[nH+]c2c1 ZINC000004126423 188275223 /nfs/dbraw/zinc/27/52/23/188275223.db2.gz IRGONGJBIVBVLQ-UHFFFAOYSA-N 1 2 225.251 2.518 50 0 BFAALO Cc1[nH+]c2ccccc2n1CC1(O)CCCC1 ZINC000087463991 355284974 /nfs/dbraw/zinc/28/49/74/355284974.db2.gz LAWVJFRBAHRJDS-UHFFFAOYSA-N 1 2 230.311 2.650 50 0 BFAALO Nc1ccc2cc(C(F)(F)F)ccc2[nH+]1 ZINC000026474758 357145141 /nfs/dbraw/zinc/14/51/41/357145141.db2.gz IMXIFGHLRHXQGE-UHFFFAOYSA-N 1 2 212.174 2.836 50 0 BFAALO CCCC12CN3C[NH+](C1)CC(CCC)(C3)C2 ZINC000019320147 371131324 /nfs/dbraw/zinc/13/13/24/371131324.db2.gz QXMFOSKFAOIOTH-UHFFFAOYSA-N 1 2 222.376 2.552 50 0 biogenic BFAALO Cc1ccc(C2=CN3CC[NH+]=C3S2)cc1 ZINC000003256227 371931027 /nfs/dbraw/zinc/93/10/27/371931027.db2.gz JRDCXCFSEBWAIW-UHFFFAOYSA-N 1 2 216.309 2.712 50 0 BFAALO Cc1cccc(NC2=[NH+][C@H](C)CS2)c1 ZINC000003308366 371949032 /nfs/dbraw/zinc/94/90/32/371949032.db2.gz FWENXIRYYJLUSB-SECBINFHSA-N 1 2 206.314 2.898 50 0 BFAALO CCCc1[nH+]c2ccccc2n1COCC ZINC000039929455 373061608 /nfs/dbraw/zinc/06/16/08/373061608.db2.gz FCBZYUZJASCSCS-UHFFFAOYSA-N 1 2 218.300 2.983 50 0 BFAALO OCc1[nH+]c(-c2ccc(F)cc2)n2ccccc12 ZINC000012249758 183170441 /nfs/dbraw/zinc/17/04/41/183170441.db2.gz IKYPXGMBPKHYLV-UHFFFAOYSA-N 1 2 242.253 2.633 50 0 BFAALO CCC[NH+](CCC)Cc1nnsc1Cl ZINC000035164955 169150687 /nfs/dbraw/zinc/15/06/87/169150687.db2.gz HNEYFQBVZLQDCO-UHFFFAOYSA-N 1 2 233.768 2.814 50 0 BFAALO Oc1ccc[n+](Cc2c(F)cccc2Cl)c1 ZINC000007644107 183285866 /nfs/dbraw/zinc/28/58/66/183285866.db2.gz BFBKNFAWABZNCP-UHFFFAOYSA-O 1 2 238.669 2.521 50 0 BFAALO c1c[nH+]c(CNc2ccc3scnc3c2)[nH]1 ZINC000192256987 183327974 /nfs/dbraw/zinc/32/79/74/183327974.db2.gz DBSWMYOOXYWVQD-UHFFFAOYSA-N 1 2 230.296 2.632 50 0 BFAALO c1cc2n(c1)CC[NH+]=C2Cc1ccccc1 ZINC000002465850 183390327 /nfs/dbraw/zinc/39/03/27/183390327.db2.gz IMFWGCGNLQTLEP-UHFFFAOYSA-N 1 2 210.280 2.534 50 0 BFAALO COC(=O)[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000002506015 383967374 /nfs/dbraw/zinc/96/73/74/383967374.db2.gz GIERMKQJVHUGLN-CQSZACIVSA-N 1 2 247.338 2.823 50 0 BFAALO CC(=O)c1ccc(-n2c[nH+]c(C)c2)c(F)c1 ZINC000038540416 384086656 /nfs/dbraw/zinc/08/66/56/384086656.db2.gz YNGNQAPHYIQGAV-UHFFFAOYSA-N 1 2 218.231 2.522 50 0 BFAALO Nc1c[nH+]cc(CCOc2ccc(Cl)cc2)c1 ZINC000091820257 384147261 /nfs/dbraw/zinc/14/72/61/384147261.db2.gz LCVRLWICRDTONG-UHFFFAOYSA-N 1 2 248.713 2.939 50 0 BFAALO Nc1cc2c(cccc2C(F)(F)F)c[nH+]1 ZINC000091692355 384138437 /nfs/dbraw/zinc/13/84/37/384138437.db2.gz RPQYKUCAEHUBBL-UHFFFAOYSA-N 1 2 212.174 2.836 50 0 BFAALO C[C@@H](c1cccnc1)[N@H+](C)Cc1cncs1 ZINC000097375243 384177108 /nfs/dbraw/zinc/17/71/08/384177108.db2.gz WJCJDEYMTZIJFA-JTQLQIEISA-N 1 2 233.340 2.731 50 0 BFAALO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cncs1 ZINC000097375243 384177116 /nfs/dbraw/zinc/17/71/16/384177116.db2.gz WJCJDEYMTZIJFA-JTQLQIEISA-N 1 2 233.340 2.731 50 0 BFAALO Cn1c[nH+]cc1-c1cccc(Br)c1 ZINC000095911072 384407365 /nfs/dbraw/zinc/40/73/65/384407365.db2.gz ZBKTVJWYHULGAW-UHFFFAOYSA-N 1 2 237.100 2.850 50 0 BFAALO Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)c[nH+]1 ZINC000084397771 384866372 /nfs/dbraw/zinc/86/63/72/384866372.db2.gz WWTGXYAJVXKEKL-UHFFFAOYSA-N 1 2 241.216 2.782 50 0 in-vitro BFAALO Cn1c[nH+]c2cc(Br)c(F)c(F)c21 ZINC000085477311 384948882 /nfs/dbraw/zinc/94/88/82/384948882.db2.gz ZGZACHGAOZFXKQ-UHFFFAOYSA-N 1 2 247.042 2.614 50 0 BFAALO CN(Cc1ccc(Cl)s1)Cc1[nH]cc[nH+]1 ZINC000109826374 385192832 /nfs/dbraw/zinc/19/28/32/385192832.db2.gz YEHXPYVTFDYZMP-UHFFFAOYSA-N 1 2 241.747 2.757 50 0 BFAALO Cc1ccc2c(c1)c1c3n2CCN([NH3+])[C@H]3CCC1 ZINC000086001048 386737378 /nfs/dbraw/zinc/73/73/78/386737378.db2.gz KAEOXDBIFMYBBG-AWEZNQCLSA-N 1 2 241.338 2.516 50 0 BFAALO CN(Cc1cccnc1)c1ccc([NH+](C)C)cc1 ZINC000089326573 387295359 /nfs/dbraw/zinc/29/53/59/387295359.db2.gz GMRJELKWBSRHSB-UHFFFAOYSA-N 1 2 241.338 2.784 50 0 BFAALO CC(=O)c1cccc(-c2c[nH]c(C)[nH+]2)c1 ZINC000032561904 387352976 /nfs/dbraw/zinc/35/29/76/387352976.db2.gz UUOMWPLOJNMQJL-UHFFFAOYSA-N 1 2 200.241 2.588 50 0 BFAALO c1ccc2[nH+]c(NC[C@@H]3CCOC3)ccc2c1 ZINC000037988126 387569245 /nfs/dbraw/zinc/56/92/45/387569245.db2.gz NVMACIVGTPYXNM-NSHDSACASA-N 1 2 228.295 2.683 50 0 BFAALO Cc1ccc(CNc2cc[nH+]cc2F)o1 ZINC000225406539 388680830 /nfs/dbraw/zinc/68/08/30/388680830.db2.gz COQMUSUZCYNXPB-UHFFFAOYSA-N 1 2 206.220 2.734 50 0 BFAALO COC(=O)[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)(C)C ZINC000096003608 388802338 /nfs/dbraw/zinc/80/23/38/388802338.db2.gz NRKVDURPEDMLMK-CYBMUJFWSA-N 1 2 249.354 2.672 50 0 BFAALO c1cn(CCSCC2CCCC2)c[nH+]1 ZINC000095940645 388791114 /nfs/dbraw/zinc/79/11/14/388791114.db2.gz NSWYVWCHUANFSS-UHFFFAOYSA-N 1 2 210.346 2.807 50 0 BFAALO Cc1cc(C)c2c(=O)[nH]n(C3CCCC3)c2[nH+]1 ZINC000005730384 397867588 /nfs/dbraw/zinc/86/75/88/397867588.db2.gz JHVQLMLQXWNVDX-UHFFFAOYSA-N 1 2 231.299 2.869 50 0 BFAALO C[Si](C)(C)C(F)(F)C(F)(F)n1cc[nH+]c1 ZINC000195756275 397991630 /nfs/dbraw/zinc/99/16/30/397991630.db2.gz FRHKSKVCAHDYBD-UHFFFAOYSA-N 1 2 240.276 2.945 50 0 BFAALO CCc1[nH+]c(C(=O)C(F)(F)F)c2ccccn21 ZINC000071551289 397975466 /nfs/dbraw/zinc/97/54/66/397975466.db2.gz WJSAPQOISCLHSR-UHFFFAOYSA-N 1 2 242.200 2.642 50 0 BFAALO CC(C)OCCSc1[nH+]cc2ccccn21 ZINC000047822605 167250361 /nfs/dbraw/zinc/25/03/61/167250361.db2.gz OIEZBAPWIFVIRP-UHFFFAOYSA-N 1 2 236.340 2.851 50 0 BFAALO Brc1ccc(-n2cc[nH+]c2)cc1 ZINC000002528151 166097442 /nfs/dbraw/zinc/09/74/42/166097442.db2.gz SERULNRLZWOYPK-UHFFFAOYSA-N 1 2 223.073 2.635 50 0 in-vitro BFAALO C[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112963538 410246805 /nfs/dbraw/zinc/24/68/05/410246805.db2.gz YXIJUPBGZSHHIM-SNVBAGLBSA-N 1 2 217.316 2.733 50 0 BFAALO CCOC(=[NH2+])c1ccc(OC)cc1OC(C)C ZINC000021303902 170179862 /nfs/dbraw/zinc/17/98/62/170179862.db2.gz ZBJSSJKFWYKQHY-UHFFFAOYSA-N 1 2 237.299 2.844 50 0 BFAALO CCn1cc[nH+]c1CN1CCc2sccc2C1 ZINC000225522150 172222786 /nfs/dbraw/zinc/22/27/86/172222786.db2.gz WIGOFGMOALFQCS-UHFFFAOYSA-N 1 2 247.367 2.523 50 0 BFAALO CCn1ccnc1C[N@@H+]1CCc2sccc2C1 ZINC000225522150 172222791 /nfs/dbraw/zinc/22/27/91/172222791.db2.gz WIGOFGMOALFQCS-UHFFFAOYSA-N 1 2 247.367 2.523 50 0 BFAALO CCn1ccnc1C[N@H+]1CCc2sccc2C1 ZINC000225522150 172222793 /nfs/dbraw/zinc/22/27/93/172222793.db2.gz WIGOFGMOALFQCS-UHFFFAOYSA-N 1 2 247.367 2.523 50 0 BFAALO C[N@H+](Cc1ccco1)Cc1ccc(Cl)nc1 ZINC000035206453 172850642 /nfs/dbraw/zinc/85/06/42/172850642.db2.gz RBOLRVUYNMRHDK-UHFFFAOYSA-N 1 2 236.702 2.960 50 0 BFAALO C[N@@H+](Cc1ccco1)Cc1ccc(Cl)nc1 ZINC000035206453 172850645 /nfs/dbraw/zinc/85/06/45/172850645.db2.gz RBOLRVUYNMRHDK-UHFFFAOYSA-N 1 2 236.702 2.960 50 0 BFAALO C[N@@H+]1CCO[C@@]12CCCC[C@@H]2Oc1ccccc1 ZINC000044125714 173105209 /nfs/dbraw/zinc/10/52/09/173105209.db2.gz IHEOZRCZMDIADV-LSDHHAIUSA-N 1 2 247.338 2.666 50 0 BFAALO C[N@H+]1CCO[C@@]12CCCC[C@@H]2Oc1ccccc1 ZINC000044125714 173105213 /nfs/dbraw/zinc/10/52/13/173105213.db2.gz IHEOZRCZMDIADV-LSDHHAIUSA-N 1 2 247.338 2.666 50 0 BFAALO COCCOc1cc(C)[nH+]c2ccccc21 ZINC000225407461 174367957 /nfs/dbraw/zinc/36/79/57/174367957.db2.gz MRFGTLQKFNIIDV-UHFFFAOYSA-N 1 2 217.268 2.568 50 0 BFAALO CC(C)c1nc(NCCc2ccc[nH]2)cc[nH+]1 ZINC000097033575 490305174 /nfs/dbraw/zinc/30/51/74/490305174.db2.gz GMIQVRGQOJRHBB-UHFFFAOYSA-N 1 2 230.315 2.583 50 0 BFAALO COC(=O)c1ccc(-c2c[nH+]cn2C(C)C)cc1 ZINC000261165460 582903645 /nfs/dbraw/zinc/90/36/45/582903645.db2.gz XFZZKRSKJHCBFZ-UHFFFAOYSA-N 1 2 244.294 2.918 50 0 BFAALO Cc1cc(Cn2cc[nH+]c2)c2ccccc2n1 ZINC000071914539 178074795 /nfs/dbraw/zinc/07/47/95/178074795.db2.gz ZQIWBJUSIOCLIE-UHFFFAOYSA-N 1 2 223.279 2.788 50 0 BFAALO Cc1ccc(-n2c[nH+]c3cc(N)ccc32)cc1 ZINC000052842501 178346742 /nfs/dbraw/zinc/34/67/42/178346742.db2.gz DAQJGJHOLQNINM-UHFFFAOYSA-N 1 2 223.279 2.916 50 0 BFAALO Nc1cccc2[nH+]c(-c3ccccc3)[nH]c21 ZINC000000226022 342680518 /nfs/dbraw/zinc/68/05/18/342680518.db2.gz PVNHYDDCQMHWAL-UHFFFAOYSA-N 1 2 209.252 2.812 50 0 BFAALO C[NH+](C)c1ccc(NCc2ccncc2)cc1 ZINC000000576247 342690402 /nfs/dbraw/zinc/69/04/02/342690402.db2.gz NVYVQHZMKZXTHK-UHFFFAOYSA-N 1 2 227.311 2.760 50 0 BFAALO Brc1[nH+]c(C2CC2)n2ccccc12 ZINC000020263927 342789595 /nfs/dbraw/zinc/78/95/95/342789595.db2.gz YCRGLMSPLUGYES-UHFFFAOYSA-N 1 2 237.100 2.974 50 0 BFAALO C[C@H](C(=O)Nc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000048333337 539008294 /nfs/dbraw/zinc/00/82/94/539008294.db2.gz MDQZCAKFQGEYLE-SECBINFHSA-N 1 2 249.701 2.736 50 0 BFAALO Cc1cccc(-c2nc(C[NH+]3CCCC3)no2)c1 ZINC000051559022 539011685 /nfs/dbraw/zinc/01/16/85/539011685.db2.gz JGVBOHJXKOJEEW-UHFFFAOYSA-N 1 2 243.310 2.641 50 0 BFAALO Nc1ccc(-c2ccc(Cl)cc2)c[nH+]1 ZINC000016946495 342917820 /nfs/dbraw/zinc/91/78/20/342917820.db2.gz LVARCJGOURVXJL-UHFFFAOYSA-N 1 2 204.660 2.984 50 0 BFAALO Cc1ccc(OCCCn2cc[nH+]c2)c(C)c1 ZINC000002494147 187245632 /nfs/dbraw/zinc/24/56/32/187245632.db2.gz FYMFFPDYKWHVSK-UHFFFAOYSA-N 1 2 230.311 2.969 50 0 BFAALO Cc1cc(C)cc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000005268955 187247485 /nfs/dbraw/zinc/24/74/85/187247485.db2.gz VGAVWKJYAMODNA-UHFFFAOYSA-N 1 2 243.310 2.529 50 0 BFAALO Cc1cc(C)c(Br)c(C)[nH+]1 ZINC000039351844 187263651 /nfs/dbraw/zinc/26/36/51/187263651.db2.gz HDIJRNSEQXUVPU-UHFFFAOYSA-N 1 2 200.079 2.769 50 0 BFAALO CCc1nc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCC2)no1 ZINC000075607300 537927711 /nfs/dbraw/zinc/92/77/11/537927711.db2.gz OVGWYGKOWXOEJI-RYUDHWBXSA-N 1 2 247.342 2.878 50 0 BFAALO CCc1nc([C@@H]2CCC[N@H+]2[C@H]2C=CCCC2)no1 ZINC000075607300 537927721 /nfs/dbraw/zinc/92/77/21/537927721.db2.gz OVGWYGKOWXOEJI-RYUDHWBXSA-N 1 2 247.342 2.878 50 0 BFAALO CCN1c2cc(F)ccc2C[C@@H]1c1[nH]cc[nH+]1 ZINC000685944340 537933598 /nfs/dbraw/zinc/93/35/98/537933598.db2.gz IWLIKZLTJQBGPW-GFCCVEGCSA-N 1 2 231.274 2.673 50 0 BFAALO Cc1cc(C[N@@H+](C)Cc2cccc(C)c2)no1 ZINC000042132098 179065058 /nfs/dbraw/zinc/06/50/58/179065058.db2.gz KIYUCBWBGWGDPZ-UHFFFAOYSA-N 1 2 230.311 2.923 50 0 BFAALO Cc1cc(C[N@H+](C)Cc2cccc(C)c2)no1 ZINC000042132098 179065060 /nfs/dbraw/zinc/06/50/60/179065060.db2.gz KIYUCBWBGWGDPZ-UHFFFAOYSA-N 1 2 230.311 2.923 50 0 BFAALO Cc1[nH]ncc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000036901610 179857230 /nfs/dbraw/zinc/85/72/30/179857230.db2.gz NLLDNUJOZCHGSW-HNNXBMFYSA-N 1 2 241.338 2.885 50 0 BFAALO Cc1nc2[nH]ccc2c(N2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000095410679 180005099 /nfs/dbraw/zinc/00/50/99/180005099.db2.gz PBKBQCDTJLFGIC-PHIMTYICSA-N 1 2 242.326 2.503 50 0 BFAALO CC(C)Cn1cc[nH+]c1CNc1ncccc1F ZINC000096483036 188017226 /nfs/dbraw/zinc/01/72/26/188017226.db2.gz POSMXFYVUBRSHE-UHFFFAOYSA-N 1 2 248.305 2.685 50 0 BFAALO N=C1[NH+]=C2c3ccccc3CN2Cc2ccccc21 ZINC000004023021 181206722 /nfs/dbraw/zinc/20/67/22/181206722.db2.gz MEYHMKCZRKNZOH-UHFFFAOYSA-N 1 2 247.301 2.788 50 0 biogenic BFAALO CC(C)(C)c1cc(NC(=O)C2CC2)cc[nH+]1 ZINC000041571081 358058954 /nfs/dbraw/zinc/05/89/54/358058954.db2.gz SJZXIJWGPVAHCN-UHFFFAOYSA-N 1 2 218.300 2.728 50 0 BFAALO CCc1nc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCC2)no1 ZINC000257365274 370689551 /nfs/dbraw/zinc/68/95/51/370689551.db2.gz OVGWYGKOWXOEJI-NEPJUHHUSA-N 1 2 247.342 2.878 50 0 BFAALO CCc1nc([C@@H]2CCC[N@H+]2[C@@H]2C=CCCC2)no1 ZINC000257365274 370689553 /nfs/dbraw/zinc/68/95/53/370689553.db2.gz OVGWYGKOWXOEJI-NEPJUHHUSA-N 1 2 247.342 2.878 50 0 BFAALO CCN(Cc1c[nH+]cn1C)c1ccccc1C ZINC000170656124 363935682 /nfs/dbraw/zinc/93/56/82/363935682.db2.gz LGXQVHWQAYANHM-UHFFFAOYSA-N 1 2 229.327 2.755 50 0 BFAALO Nc1ccc(Oc2ccc(F)cc2)c[nH+]1 ZINC000019869091 181723256 /nfs/dbraw/zinc/72/32/56/181723256.db2.gz GJYQBDCLIHYVSB-UHFFFAOYSA-N 1 2 204.204 2.595 50 0 BFAALO Cc1cc(-c2c[nH+]c3ccc(F)cn32)ccn1 ZINC000426420502 206048099 /nfs/dbraw/zinc/04/80/99/206048099.db2.gz XONMWJKAYOPSPN-UHFFFAOYSA-N 1 2 227.242 2.844 50 0 BFAALO CCCCn1c2ccccc2[nH+]c1NCCOC ZINC000005285335 169035012 /nfs/dbraw/zinc/03/50/12/169035012.db2.gz DZGRAZSEGRPMOB-UHFFFAOYSA-N 1 2 247.342 2.895 50 0 BFAALO Oc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000227396 183272028 /nfs/dbraw/zinc/27/20/28/183272028.db2.gz BGTLUMBJNNLMAH-UHFFFAOYSA-N 1 2 224.263 2.859 50 0 BFAALO Cc1cc(C)n(-c2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000067895404 383955931 /nfs/dbraw/zinc/95/59/31/383955931.db2.gz XVUFDXDSDPJRLN-UHFFFAOYSA-N 1 2 238.294 2.879 50 0 BFAALO Cn1c[nH+]cc1-c1ccc(Br)cc1 ZINC000090131967 384030421 /nfs/dbraw/zinc/03/04/21/384030421.db2.gz GBRRZXCIOPPVND-UHFFFAOYSA-N 1 2 237.100 2.850 50 0 BFAALO CC(C)(C)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072439437 384222408 /nfs/dbraw/zinc/22/24/08/384222408.db2.gz HKCTUKJBEWJOGL-UHFFFAOYSA-N 1 2 249.358 2.552 50 0 BFAALO Cc1c[nH+]c(C)nc1N1CCc2ccccc2C1 ZINC000408518642 384273414 /nfs/dbraw/zinc/27/34/14/384273414.db2.gz ROEQLRCGQWUWGV-UHFFFAOYSA-N 1 2 239.322 2.656 50 0 BFAALO c1ccc2[nH+]c(N3CCCCC3)[nH]c2c1 ZINC000011535802 384288927 /nfs/dbraw/zinc/28/89/27/384288927.db2.gz JUYQSMXGDBGGSX-UHFFFAOYSA-N 1 2 201.273 2.553 50 0 BFAALO Nc1ccc2c[nH+]ccc2c1Br ZINC000013488994 384362950 /nfs/dbraw/zinc/36/29/50/384362950.db2.gz JDEBLBVBKMBILY-UHFFFAOYSA-N 1 2 223.073 2.580 50 0 BFAALO C[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000012710225 384331892 /nfs/dbraw/zinc/33/18/92/384331892.db2.gz YXMZBUFXLZIGQW-UHFFFAOYSA-N 1 2 243.310 2.579 50 0 BFAALO C[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000012710225 384331900 /nfs/dbraw/zinc/33/19/00/384331900.db2.gz YXMZBUFXLZIGQW-UHFFFAOYSA-N 1 2 243.310 2.579 50 0 BFAALO CCCCNc1cc(-c2cccs2)[nH+]c(N)n1 ZINC000096319446 384452351 /nfs/dbraw/zinc/45/23/51/384452351.db2.gz VKGFKAFFSJOUIS-UHFFFAOYSA-N 1 2 248.355 2.999 50 0 BFAALO CCc1cccc(CC)c1-n1cc[nH+]c1 ZINC000047843989 384468757 /nfs/dbraw/zinc/46/87/57/384468757.db2.gz HLABUWOSYZYNKP-UHFFFAOYSA-N 1 2 200.285 2.997 50 0 BFAALO Clc1c(Br)ccc2[nH+]ccn21 ZINC000084251244 384616153 /nfs/dbraw/zinc/61/61/53/384616153.db2.gz STOHYIMQKKNYNR-UHFFFAOYSA-N 1 2 231.480 2.750 50 0 BFAALO Fc1ccc2c(c1)CC[N@@H+](Cc1cncs1)C2 ZINC000097051062 384622902 /nfs/dbraw/zinc/62/29/02/384622902.db2.gz WXPBENYPHFBSOT-UHFFFAOYSA-N 1 2 248.326 2.841 50 0 BFAALO Fc1ccc2c(c1)CC[N@H+](Cc1cncs1)C2 ZINC000097051062 384622908 /nfs/dbraw/zinc/62/29/08/384622908.db2.gz WXPBENYPHFBSOT-UHFFFAOYSA-N 1 2 248.326 2.841 50 0 BFAALO O=[N+](Nc1ccc(O)cc1)c1ccc(O)cc1 ZINC000368046776 384692677 /nfs/dbraw/zinc/69/26/77/384692677.db2.gz GNUFJJNQCRXCAY-UHFFFAOYSA-O 1 2 231.231 2.535 50 0 BFAALO COC[C@@H](C)SCc1cn2ccccc2[nH+]1 ZINC000084495907 384761033 /nfs/dbraw/zinc/76/10/33/384761033.db2.gz LCYUIECWXLAYFJ-SNVBAGLBSA-N 1 2 236.340 2.602 50 0 BFAALO Nc1cc(-c2cnc3ccccc3c2)cc[nH+]1 ZINC000065397907 385306436 /nfs/dbraw/zinc/30/64/36/385306436.db2.gz ZIWHDUFEYAYTGJ-UHFFFAOYSA-N 1 2 221.263 2.879 50 0 BFAALO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccn2)oc1C ZINC000089558247 387344245 /nfs/dbraw/zinc/34/42/45/387344245.db2.gz HLFKDPAJHWACDL-LLVKDONJSA-N 1 2 245.326 2.879 50 0 BFAALO Cc1nc(C[N@H+](C)[C@H](C)c2ccccn2)oc1C ZINC000089558247 387344251 /nfs/dbraw/zinc/34/42/51/387344251.db2.gz HLFKDPAJHWACDL-LLVKDONJSA-N 1 2 245.326 2.879 50 0 BFAALO Cn1ccccc1=[NH+]Cc1ccccc1Cl ZINC000254622702 388347570 /nfs/dbraw/zinc/34/75/70/388347570.db2.gz BTUXMXAZTPIHKD-UHFFFAOYSA-N 1 2 232.714 2.779 50 0 BFAALO CCO[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC000195531024 388476870 /nfs/dbraw/zinc/47/68/70/388476870.db2.gz MJXJMLWZXKLZPS-RYUDHWBXSA-N 1 2 247.342 2.545 50 0 BFAALO Cc1c[nH+]ccc1NC(=O)c1ccc(F)cc1 ZINC000069741569 388426114 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CCO[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC000195531022 388477251 /nfs/dbraw/zinc/47/72/51/388477251.db2.gz MJXJMLWZXKLZPS-NEPJUHHUSA-N 1 2 247.342 2.545 50 0 BFAALO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)c(O)c1 ZINC000069586132 388421426 /nfs/dbraw/zinc/42/14/26/388421426.db2.gz MSOJRDHTEMKILP-UHFFFAOYSA-N 1 2 242.278 2.656 50 0 BFAALO c1cn(-c2ccc(SC3CCCC3)nn2)c[nH+]1 ZINC000070688644 388439565 /nfs/dbraw/zinc/43/95/65/388439565.db2.gz FZMWBZOVHHFQKK-UHFFFAOYSA-N 1 2 246.339 2.697 50 0 BFAALO CC[C@H]([NH2+]Cc1noc(C)n1)c1cccs1 ZINC000096013850 388804180 /nfs/dbraw/zinc/80/41/80/388804180.db2.gz JUJOHRBBVVCRSU-VIFPVBQESA-N 1 2 237.328 2.680 50 0 BFAALO Cc1cccc2c(C)cc(N3CCOCC3)[nH+]c12 ZINC000000304269 132313354 /nfs/dbraw/zinc/31/33/54/132313354.db2.gz TZOKKBDHYLJNDY-UHFFFAOYSA-N 1 2 242.322 2.688 50 0 BFAALO Cc1cc(C)c(NC(=O)c2ccco2)c(C)[nH+]1 ZINC000097039888 410041722 /nfs/dbraw/zinc/04/17/22/410041722.db2.gz NGXXMPWFNNCOKD-UHFFFAOYSA-N 1 2 230.267 2.852 50 0 BFAALO Brc1ccccc1-c1c[nH]c[nH+]1 ZINC000021953255 166101255 /nfs/dbraw/zinc/10/12/55/166101255.db2.gz FELOTSCACKQLHT-UHFFFAOYSA-N 1 2 223.073 2.839 50 0 BFAALO C[C@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112963539 410247333 /nfs/dbraw/zinc/24/73/33/410247333.db2.gz YXIJUPBGZSHHIM-JTQLQIEISA-N 1 2 217.316 2.733 50 0 BFAALO CCOC(=[NH2+])c1ccc(Br)cc1 ZINC000037928020 170180055 /nfs/dbraw/zinc/18/00/55/170180055.db2.gz SKFQJMAGPTUFEW-UHFFFAOYSA-N 1 2 228.089 2.811 50 0 BFAALO CCOC(=O)[C@@H]([NH2+]CC(C)C)c1ccccc1 ZINC000037853300 170255461 /nfs/dbraw/zinc/25/54/61/170255461.db2.gz PEJYAMCCFVSGGU-ZDUSSCGKSA-N 1 2 235.327 2.536 50 0 BFAALO CCOCC1(CNc2nc[nH+]c(C)c2C)CCC1 ZINC000092045715 170357058 /nfs/dbraw/zinc/35/70/58/170357058.db2.gz IYTPKXQJMVBVHA-UHFFFAOYSA-N 1 2 249.358 2.712 50 0 BFAALO C[N@@H+]1CCO[C@]12CCCC[C@@H]2Oc1ccccc1 ZINC000044125717 173111048 /nfs/dbraw/zinc/11/10/48/173111048.db2.gz IHEOZRCZMDIADV-GJZGRUSLSA-N 1 2 247.338 2.666 50 0 BFAALO C[N@H+]1CCO[C@]12CCCC[C@@H]2Oc1ccccc1 ZINC000044125717 173111049 /nfs/dbraw/zinc/11/10/49/173111049.db2.gz IHEOZRCZMDIADV-GJZGRUSLSA-N 1 2 247.338 2.666 50 0 BFAALO CN1Cc2ccc3c4c(ccc(c24)C1)C[NH+](C)C3 ZINC000004395712 173201444 /nfs/dbraw/zinc/20/14/44/173201444.db2.gz VHNSKBKZGHFGKH-UHFFFAOYSA-N 1 2 238.334 2.731 50 0 BFAALO C[N@@H+]1[C@H](CCc2ccccc2)OCC1(C)C ZINC000071773339 173205394 /nfs/dbraw/zinc/20/53/94/173205394.db2.gz BXXIIAIIGOXHSG-ZDUSSCGKSA-N 1 2 219.328 2.686 50 0 BFAALO C[N@H+]1[C@H](CCc2ccccc2)OCC1(C)C ZINC000071773339 173205396 /nfs/dbraw/zinc/20/53/96/173205396.db2.gz BXXIIAIIGOXHSG-ZDUSSCGKSA-N 1 2 219.328 2.686 50 0 BFAALO COc1ccc(CCc2[nH+]cccc2O)cc1 ZINC000000186613 175093413 /nfs/dbraw/zinc/09/34/13/175093413.db2.gz HRFPTQCLYZRBDT-UHFFFAOYSA-N 1 2 229.279 2.581 50 0 BFAALO COc1ccc([NH2+]CCc2ccccn2)cc1 ZINC000004231705 175150375 /nfs/dbraw/zinc/15/03/75/175150375.db2.gz NXRQNMNZSKSLEE-UHFFFAOYSA-N 1 2 228.295 2.745 50 0 BFAALO COc1ccc2[nH]c(N3CCCCC3)[nH+]c2c1 ZINC000000305268 175202001 /nfs/dbraw/zinc/20/20/01/175202001.db2.gz KLJZYJJYRWZUKI-UHFFFAOYSA-N 1 2 231.299 2.562 50 0 BFAALO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnsc2Cl)C1 ZINC000035164952 176362322 /nfs/dbraw/zinc/36/23/22/176362322.db2.gz SFUIILRXKBXIQJ-HTQZYQBOSA-N 1 2 245.779 2.669 50 0 BFAALO C[C@H]1C[NH+](Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000019606843 177265555 /nfs/dbraw/zinc/26/55/55/177265555.db2.gz ABPZVYPJUQZREO-QWRGUYRKSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnsc2Cl)C1 ZINC000035164948 177314582 /nfs/dbraw/zinc/31/45/82/177314582.db2.gz SFUIILRXKBXIQJ-OCAPTIKFSA-N 1 2 245.779 2.669 50 0 BFAALO C[C@@H]1C[C@H](C)C[N@H+](Cc2nnsc2Cl)C1 ZINC000035164948 177314583 /nfs/dbraw/zinc/31/45/83/177314583.db2.gz SFUIILRXKBXIQJ-OCAPTIKFSA-N 1 2 245.779 2.669 50 0 BFAALO C[N@H+](Cc1ccncc1)Cc1c(F)cccc1F ZINC000183745349 487644413 /nfs/dbraw/zinc/64/44/13/487644413.db2.gz DLBABMRTBQLDIB-UHFFFAOYSA-N 1 2 248.276 2.992 50 0 BFAALO C[N@@H+](Cc1ccncc1)Cc1c(F)cccc1F ZINC000183745349 487644417 /nfs/dbraw/zinc/64/44/17/487644417.db2.gz DLBABMRTBQLDIB-UHFFFAOYSA-N 1 2 248.276 2.992 50 0 BFAALO CSc1ccc(Cn2cc[nH+]c2)cc1 ZINC000040477626 488029656 /nfs/dbraw/zinc/02/96/56/488029656.db2.gz GIHFZRQNKIIQJG-UHFFFAOYSA-N 1 2 204.298 2.653 50 0 BFAALO C[C@H](CCc1ccc(O)cc1)[NH2+]N1CCCCC1 ZINC000023282485 632778950 /nfs/dbraw/zinc/77/89/50/632778950.db2.gz ZSKXVNJNYHKUOH-CYBMUJFWSA-N 1 2 248.370 2.704 50 0 BFAALO CCCCc1cc(C[NH+]2CCCCC2)n[nH]1 ZINC000004005487 633909693 /nfs/dbraw/zinc/90/96/93/633909693.db2.gz ZHTGLWGMZXMZRN-UHFFFAOYSA-N 1 2 221.348 2.738 50 0 BFAALO Cc1cc(C[N@@H+]2CCc3sccc3C2)on1 ZINC000040487672 178003809 /nfs/dbraw/zinc/00/38/09/178003809.db2.gz DFUPPAGRSQMHPT-UHFFFAOYSA-N 1 2 234.324 2.603 50 0 BFAALO Cc1cc(C[N@H+]2CCc3sccc3C2)on1 ZINC000040487672 178003812 /nfs/dbraw/zinc/00/38/12/178003812.db2.gz DFUPPAGRSQMHPT-UHFFFAOYSA-N 1 2 234.324 2.603 50 0 BFAALO CCC(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000074932063 168340762 /nfs/dbraw/zinc/34/07/62/168340762.db2.gz OIBARWAAHWJOMW-UHFFFAOYSA-N 1 2 206.289 2.765 50 0 BFAALO Cc1cc(NCc2ccncc2)nc(C2CC2)[nH+]1 ZINC000095416423 178174169 /nfs/dbraw/zinc/17/41/69/178174169.db2.gz GPYUUFZZIMFJRT-UHFFFAOYSA-N 1 2 240.310 2.670 50 0 BFAALO Cc1cc(Nc2ccc([NH+](C)C)cc2)ncn1 ZINC000011907836 178191867 /nfs/dbraw/zinc/19/18/67/178191867.db2.gz KUTLHDTYSNCEKO-UHFFFAOYSA-N 1 2 228.299 2.595 50 0 BFAALO C[C@@H](CC(=O)N1CCCCCCC1)n1cc[nH+]c1 ZINC000032720225 538950673 /nfs/dbraw/zinc/95/06/73/538950673.db2.gz WBJVMTLTVOETSZ-ZDUSSCGKSA-N 1 2 249.358 2.627 50 0 BFAALO COC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000044857420 346831478 /nfs/dbraw/zinc/83/14/78/346831478.db2.gz CTPSIEYPELUXRU-UHFFFAOYSA-N 1 2 229.235 2.661 50 0 biogenic BFAALO Cc1[nH+]cc(-c2cncc(C(F)F)c2)n1C ZINC000630053309 361923854 /nfs/dbraw/zinc/92/38/54/361923854.db2.gz PRAAIAOXMFXRRO-UHFFFAOYSA-N 1 2 223.226 2.728 50 0 BFAALO C[C@@H](C(=O)Nc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000048333336 539008297 /nfs/dbraw/zinc/00/82/97/539008297.db2.gz MDQZCAKFQGEYLE-VIFPVBQESA-N 1 2 249.701 2.736 50 0 BFAALO CCCc1[nH+]c2ccccc2n1CCOC ZINC000013018338 342863154 /nfs/dbraw/zinc/86/31/54/342863154.db2.gz VJGZPUGGCGWLQB-UHFFFAOYSA-N 1 2 218.300 2.635 50 0 BFAALO Cc1ccc(NC(=O)c2ccc(N)cc2)c(C)[nH+]1 ZINC000071774195 398337376 /nfs/dbraw/zinc/33/73/76/398337376.db2.gz LYQGEPVEGHFFJM-UHFFFAOYSA-N 1 2 241.294 2.533 50 0 BFAALO Nc1ccc2[nH]c(-c3cccc(F)c3)[nH+]c2c1 ZINC000019440874 342949179 /nfs/dbraw/zinc/94/91/79/342949179.db2.gz LJPZRDOOEROXQP-UHFFFAOYSA-N 1 2 227.242 2.951 50 0 BFAALO Nc1[nH+]ccc2ccc(Br)cc12 ZINC000021304136 343009243 /nfs/dbraw/zinc/00/92/43/343009243.db2.gz PLOCDXILPIGHEZ-UHFFFAOYSA-N 1 2 223.073 2.580 50 0 BFAALO Fc1ccc(OCCCCn2cc[nH+]c2)cc1 ZINC000023550145 343066145 /nfs/dbraw/zinc/06/61/45/343066145.db2.gz QSHZIRDMVYIXJA-UHFFFAOYSA-N 1 2 234.274 2.881 50 0 BFAALO Cc1nnc([C@@H]2CCC[N@@H+]2Cc2cccs2)[nH]1 ZINC000097941175 343728426 /nfs/dbraw/zinc/72/84/26/343728426.db2.gz YYVKTWXCFRRAJY-NSHDSACASA-N 1 2 248.355 2.512 50 0 BFAALO Cc1nnc([C@@H]2CCC[N@H+]2Cc2cccs2)[nH]1 ZINC000097941175 343728429 /nfs/dbraw/zinc/72/84/29/343728429.db2.gz YYVKTWXCFRRAJY-NSHDSACASA-N 1 2 248.355 2.512 50 0 BFAALO Cc1ccccc1CCCn1cc[nH+]c1 ZINC000175916059 179263269 /nfs/dbraw/zinc/26/32/69/179263269.db2.gz JQRCBTMQKBVASF-UHFFFAOYSA-N 1 2 200.285 2.824 50 0 BFAALO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccccc2)no1 ZINC000075573191 180056439 /nfs/dbraw/zinc/05/64/39/180056439.db2.gz SJRPQICGKXUZJZ-CYBMUJFWSA-N 1 2 243.310 2.715 50 0 BFAALO Cc1nc([C@H]2CCC[N@H+]2Cc2ccccc2)no1 ZINC000075573191 180056442 /nfs/dbraw/zinc/05/64/42/180056442.db2.gz SJRPQICGKXUZJZ-CYBMUJFWSA-N 1 2 243.310 2.715 50 0 BFAALO CCOc1cc2c(cc1OCC)C(C)=[NH+]CC2 ZINC000002512259 363077598 /nfs/dbraw/zinc/07/75/98/363077598.db2.gz IOPIDDLIIVFOGD-UHFFFAOYSA-N 1 2 233.311 2.849 50 0 BFAALO CC1(C)c2cc(O)ccc2O[C@H]1[NH+]1CCCCC1 ZINC000039391718 187773831 /nfs/dbraw/zinc/77/38/31/187773831.db2.gz ITRLVVKTHRNGDT-CQSZACIVSA-N 1 2 247.338 2.874 50 0 BFAALO Cc1ccc(NCc2[nH+]ccn2C)cc1C ZINC000036804446 361492342 /nfs/dbraw/zinc/49/23/42/361492342.db2.gz OTNUQBQCTVQPAA-UHFFFAOYSA-N 1 2 215.300 2.649 50 0 BFAALO CC(C)OCCCNc1cn[nH+]c2ccccc12 ZINC000383230720 367608783 /nfs/dbraw/zinc/60/87/83/367608783.db2.gz AEEVFWXJCOXWOF-UHFFFAOYSA-N 1 2 245.326 2.857 50 0 BFAALO O[C@H](Cc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000024060104 183228650 /nfs/dbraw/zinc/22/86/50/183228650.db2.gz VVNWMABUIGWULI-LLVKDONJSA-N 1 2 244.319 2.901 50 0 BFAALO Oc1cccc2ccc(N3CCCC3)[nH+]c12 ZINC000011920108 183298870 /nfs/dbraw/zinc/29/88/70/183298870.db2.gz VFXNXIAJNHKLIN-UHFFFAOYSA-N 1 2 214.268 2.541 50 0 BFAALO CCC[NH2+]c1ccc(N)cc1Br ZINC000043596542 169295171 /nfs/dbraw/zinc/29/51/71/169295171.db2.gz PBLWLYUIANLFNC-UHFFFAOYSA-N 1 2 229.121 2.853 50 0 BFAALO c1ccc2c(NCc3cccnc3)cn[nH+]c2c1 ZINC000046087272 183495044 /nfs/dbraw/zinc/49/50/44/183495044.db2.gz JSSLKQGERKWCDI-UHFFFAOYSA-N 1 2 236.278 2.637 50 0 BFAALO Cc1cc(C)c(C(N)=O)c(Nc2ccccc2)[nH+]1 ZINC000000238761 383845470 /nfs/dbraw/zinc/84/54/70/383845470.db2.gz YQAXTGBLDONCMW-UHFFFAOYSA-N 1 2 241.294 2.541 50 0 BFAALO Nc1cc2ccc(C(F)(F)F)cc2c[nH+]1 ZINC000091692354 384137949 /nfs/dbraw/zinc/13/79/49/384137949.db2.gz JNVIPWYNNHHWEQ-UHFFFAOYSA-N 1 2 212.174 2.836 50 0 BFAALO COCCn1c2ccccc2[nH+]c1C(C)C ZINC000013143417 384349673 /nfs/dbraw/zinc/34/96/73/384349673.db2.gz IUWGYEUCXNCELH-UHFFFAOYSA-N 1 2 218.300 2.806 50 0 BFAALO Nc1cccc2c1[nH+]cn2Cc1ccccc1 ZINC000095217990 384368987 /nfs/dbraw/zinc/36/89/87/384368987.db2.gz CCLYBXATLKLSKT-UHFFFAOYSA-N 1 2 223.279 2.667 50 0 BFAALO Cc1cn(-c2ccc(Br)cc2)c[nH+]1 ZINC000095915794 384407101 /nfs/dbraw/zinc/40/71/01/384407101.db2.gz RHUGYTKASKANII-UHFFFAOYSA-N 1 2 237.100 2.943 50 0 BFAALO c1ccc(NCCc2nc3ccccc3[nH]2)[nH+]c1 ZINC000095618971 384382952 /nfs/dbraw/zinc/38/29/52/384382952.db2.gz ACCRZMDPDLXAJR-UHFFFAOYSA-N 1 2 238.294 2.613 50 0 BFAALO CC(C)n1c[nH+]cc1CN(C)[C@@H](C)c1ccon1 ZINC000097797455 384560643 /nfs/dbraw/zinc/56/06/43/384560643.db2.gz NGDKQZPSBMVTNA-NSHDSACASA-N 1 2 248.330 2.645 50 0 BFAALO c1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)n[nH]1 ZINC000020586912 384622952 /nfs/dbraw/zinc/62/29/52/384622952.db2.gz IBYKIICKDNOHCW-AWEZNQCLSA-N 1 2 242.326 2.532 50 0 BFAALO c1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)n[nH]1 ZINC000020586912 384622962 /nfs/dbraw/zinc/62/29/62/384622962.db2.gz IBYKIICKDNOHCW-AWEZNQCLSA-N 1 2 242.326 2.532 50 0 BFAALO CSC1=[NH+]CCN1c1ccc(C)cc1 ZINC000032919130 385193070 /nfs/dbraw/zinc/19/30/70/385193070.db2.gz RHKQGWGFKRVUHM-UHFFFAOYSA-N 1 2 206.314 2.534 50 0 BFAALO CC(C)[C@@H]1OCC[C@H]1CNc1cccc[nH+]1 ZINC000096453807 385174631 /nfs/dbraw/zinc/17/46/31/385174631.db2.gz XVCYMPDDGVYKPL-AAEUAGOBSA-N 1 2 220.316 2.555 50 0 BFAALO FC(F)(F)c1cc[nH+]c(N2CC(F)(F)C2)c1 ZINC000169725708 385418326 /nfs/dbraw/zinc/41/83/26/385418326.db2.gz IXCHRNSOTBUDEL-UHFFFAOYSA-N 1 2 238.159 2.556 50 0 BFAALO CC(C)(C)C(=O)CSCCCn1cc[nH+]c1 ZINC000180438210 385522946 /nfs/dbraw/zinc/52/29/46/385522946.db2.gz FKLWAFBDFAEXAO-UHFFFAOYSA-N 1 2 240.372 2.622 50 0 BFAALO CCCc1[nH+]ccn1-c1cc(C)ccn1 ZINC000065403566 385627951 /nfs/dbraw/zinc/62/79/51/385627951.db2.gz VLYSSHBJGZMNPR-UHFFFAOYSA-N 1 2 201.273 2.528 50 0 BFAALO FC(F)C1CCN(c2cccc[nH+]2)CC1 ZINC000336083188 386190002 /nfs/dbraw/zinc/19/00/02/386190002.db2.gz ZYDCJWKPBVTKNV-UHFFFAOYSA-N 1 2 212.243 2.563 50 0 BFAALO FC(F)(F)c1cnc(-n2cc[nH+]c2)c(Cl)c1 ZINC000001401433 386233226 /nfs/dbraw/zinc/23/32/26/386233226.db2.gz HPSWODAGYYMHDK-UHFFFAOYSA-N 1 2 247.607 2.940 50 0 BFAALO Cc1c[nH]c([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)[nH+]1 ZINC000534586383 386644385 /nfs/dbraw/zinc/64/43/85/386644385.db2.gz CCSYWJBLKPUEST-SECBINFHSA-N 1 2 249.358 2.578 50 0 BFAALO COc1ccc(-c2c[nH+]c(C(C)C)n2C)cn1 ZINC000585120311 386669679 /nfs/dbraw/zinc/66/96/79/386669679.db2.gz GRGSZRZWSXFJKE-UHFFFAOYSA-N 1 2 231.299 2.614 50 0 BFAALO CC(C)c1[nH+]cc(-c2cc(F)ccc2CO)n1C ZINC000585120214 386670707 /nfs/dbraw/zinc/67/07/07/386670707.db2.gz ABEYHUBWVZOORQ-UHFFFAOYSA-N 1 2 248.301 2.842 50 0 BFAALO Nc1ccc(-c2ccc(-c3cc[nH]n3)s2)c[nH+]1 ZINC000426498364 387576244 /nfs/dbraw/zinc/57/62/44/387576244.db2.gz CCWBLERNSGMDMF-UHFFFAOYSA-N 1 2 242.307 2.613 50 0 BFAALO CSCc1cc[nH+]c(NCc2cccn2C)c1 ZINC000089756759 388367209 /nfs/dbraw/zinc/36/72/09/388367209.db2.gz AUYKGKWGEIBQQL-UHFFFAOYSA-N 1 2 247.367 2.895 50 0 BFAALO CCC[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067774936 388407077 /nfs/dbraw/zinc/40/70/77/388407077.db2.gz SDWGBWCWIPMRIM-JTQLQIEISA-N 1 2 235.331 2.594 50 0 BFAALO CC[N@H+](CCCNC(=O)C(C)C)c1ccccc1 ZINC000040017227 388412050 /nfs/dbraw/zinc/41/20/50/388412050.db2.gz OBUZOJBBBSRETJ-UHFFFAOYSA-N 1 2 248.370 2.675 50 0 BFAALO CC[N@@H+](CCCNC(=O)C(C)C)c1ccccc1 ZINC000040017227 388412053 /nfs/dbraw/zinc/41/20/53/388412053.db2.gz OBUZOJBBBSRETJ-UHFFFAOYSA-N 1 2 248.370 2.675 50 0 BFAALO Cc1c[nH+]ccc1NC(=O)C1CCCCC1 ZINC000069948013 388430487 /nfs/dbraw/zinc/43/04/87/388430487.db2.gz LBYAOIUOCFUZME-UHFFFAOYSA-N 1 2 218.300 2.909 50 0 BFAALO FC(F)(F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019634723 388743933 /nfs/dbraw/zinc/74/39/33/388743933.db2.gz 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2.779 50 0 BFAALO CC[C@@H]1C[N@@H+](Cc2csc(C)n2)CCS1 ZINC000076073580 171091961 /nfs/dbraw/zinc/09/19/61/171091961.db2.gz NKYNMKBLKZKIHH-LLVKDONJSA-N 1 2 242.413 2.779 50 0 BFAALO CCc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000062807344 172010110 /nfs/dbraw/zinc/01/01/10/172010110.db2.gz MXZRWGLRCREKFP-UHFFFAOYSA-N 1 2 225.089 2.888 50 0 BFAALO CCc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000062807344 172010112 /nfs/dbraw/zinc/01/01/12/172010112.db2.gz MXZRWGLRCREKFP-UHFFFAOYSA-N 1 2 225.089 2.888 50 0 BFAALO COCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000095406541 174376888 /nfs/dbraw/zinc/37/68/88/174376888.db2.gz IKMTTXBIZXFDOC-UHFFFAOYSA-N 1 2 248.351 2.752 50 0 BFAALO COc1cccc(F)c1-c1c[nH]c(C)[nH+]1 ZINC000065527156 175273859 /nfs/dbraw/zinc/27/38/59/175273859.db2.gz COQLACWJTKDIBT-UHFFFAOYSA-N 1 2 206.220 2.533 50 0 BFAALO COc1cc[nH+]c(-c2cccc(N(C)C)c2)c1 ZINC000096132834 175357098 /nfs/dbraw/zinc/35/70/98/175357098.db2.gz NKSXSGJZLWKWDJ-UHFFFAOYSA-N 1 2 228.295 2.823 50 0 BFAALO C[C@H](Oc1ccc[nH+]c1N)c1ccccc1 ZINC000039279578 177025250 /nfs/dbraw/zinc/02/52/50/177025250.db2.gz PPDXZQYCEONNNJ-JTQLQIEISA-N 1 2 214.268 2.804 50 0 BFAALO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012341307 177262160 /nfs/dbraw/zinc/26/21/60/177262160.db2.gz KNIIMCBPRMMBRM-PHIMTYICSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012341307 177262162 /nfs/dbraw/zinc/26/21/62/177262162.db2.gz KNIIMCBPRMMBRM-PHIMTYICSA-N 1 2 239.746 2.949 50 0 BFAALO Cc1cnc([C@H](C)[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000336275367 487537473 /nfs/dbraw/zinc/53/74/73/487537473.db2.gz IZUBONNENREMDT-JQWIXIFHSA-N 1 2 226.295 2.868 50 0 BFAALO Cc1cnc([C@H](C)[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000336275367 487537474 /nfs/dbraw/zinc/53/74/74/487537474.db2.gz IZUBONNENREMDT-JQWIXIFHSA-N 1 2 226.295 2.868 50 0 BFAALO Cn1c[nH+]cc1CN1CCCCc2sccc21 ZINC000684771534 488341145 /nfs/dbraw/zinc/34/11/45/488341145.db2.gz DABFHKNTDGEWBM-UHFFFAOYSA-N 1 2 247.367 2.825 50 0 BFAALO CCC(CC)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000084727486 491122417 /nfs/dbraw/zinc/12/24/17/491122417.db2.gz FIFVZTGCHRHXHA-UHFFFAOYSA-N 1 2 245.326 2.500 50 0 BFAALO CCCc1ccc(C[N@H+](C)Cc2cnccn2)o1 ZINC000215561012 535417055 /nfs/dbraw/zinc/41/70/55/535417055.db2.gz SCHJYGMLMIVNDU-UHFFFAOYSA-N 1 2 245.326 2.654 50 0 BFAALO CCCc1ccc(C[N@@H+](C)Cc2cnccn2)o1 ZINC000215561012 535417058 /nfs/dbraw/zinc/41/70/58/535417058.db2.gz SCHJYGMLMIVNDU-UHFFFAOYSA-N 1 2 245.326 2.654 50 0 BFAALO CCCC(=O)OCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000888093445 583180113 /nfs/dbraw/zinc/18/01/13/583180113.db2.gz PSTYKFKDKMFXMJ-UHFFFAOYSA-N 1 2 244.294 2.920 50 0 BFAALO CCc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000000431575 643074770 /nfs/dbraw/zinc/07/47/70/643074770.db2.gz RZTCTGXOVXQJOA-UHFFFAOYSA-N 1 2 216.284 2.525 50 0 BFAALO CN(CC(C)(C)CO)c1[nH+]ccc2ccccc21 ZINC001506410065 988780719 /nfs/dbraw/zinc/78/07/19/988780719.db2.gz DAYPJGKWMZPSOH-UHFFFAOYSA-N 1 2 244.338 2.690 50 0 BFAALO Nc1ccc(C(F)(F)F)c2cc[nH+]cc12 ZINC000685962680 538909527 /nfs/dbraw/zinc/90/95/27/538909527.db2.gz PHXSADPYAUOUFD-UHFFFAOYSA-N 1 2 212.174 2.836 50 0 BFAALO Cc1cc(N(C)C)nc(Nc2ccccc2C)[nH+]1 ZINC000001425759 178097070 /nfs/dbraw/zinc/09/70/70/178097070.db2.gz OYXCDSXMERALRC-UHFFFAOYSA-N 1 2 242.326 2.903 50 0 BFAALO Cc1cc(NN)c2cccc(C(C)C)c2[nH+]1 ZINC000014807673 178177463 /nfs/dbraw/zinc/17/74/63/178177463.db2.gz CXTWLUWUBXIOAZ-UHFFFAOYSA-N 1 2 215.300 2.952 50 0 BFAALO Cc1cnc([C@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000125195908 178179703 /nfs/dbraw/zinc/17/97/03/178179703.db2.gz ZPRSXULJGXKENG-VIFPVBQESA-N 1 2 234.328 2.723 50 0 BFAALO CCc1ccsc1C(=O)Nc1cc[nH+]cc1O ZINC000170593640 361765588 /nfs/dbraw/zinc/76/55/88/361765588.db2.gz AXEQUEGMGNEOMG-UHFFFAOYSA-N 1 2 248.307 2.663 50 0 BFAALO Cc1cc([C@@](C)(O)CNc2cccc[nH+]2)c(C)o1 ZINC000078308418 178243300 /nfs/dbraw/zinc/24/33/00/178243300.db2.gz WIEXCXCKCFNEDV-AWEZNQCLSA-N 1 2 246.310 2.611 50 0 BFAALO CCCc1[nH+]cc([C@@H](O)c2ccc(C)cc2)n1C ZINC000000170150 342678975 /nfs/dbraw/zinc/67/89/75/342678975.db2.gz HBXMZDAHOUFAFK-HNNXBMFYSA-N 1 2 244.338 2.763 50 0 BFAALO Nc1ccc2[nH]c(-c3cccs3)[nH+]c2c1 ZINC000005687374 342768559 /nfs/dbraw/zinc/76/85/59/342768559.db2.gz ODERBZFANUDJQA-UHFFFAOYSA-N 1 2 215.281 2.874 50 0 BFAALO Nc1cccc2c(Br)c[nH+]cc12 ZINC000005933743 342771514 /nfs/dbraw/zinc/77/15/14/342771514.db2.gz BAQIJWFGYGKBRU-UHFFFAOYSA-N 1 2 223.073 2.580 50 0 BFAALO CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000004341393 342853755 /nfs/dbraw/zinc/85/37/55/342853755.db2.gz AQTIEZYJQMOLMG-UHFFFAOYSA-N 1 2 242.307 2.537 50 0 BFAALO CC(C)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000019770611 342956697 /nfs/dbraw/zinc/95/66/97/342956697.db2.gz JQLDXBOSEKDSJY-UHFFFAOYSA-N 1 2 249.354 2.521 50 0 BFAALO Cc1ccc(C[N@@H+](C)Cc2c(C)noc2C)o1 ZINC000042978285 362047717 /nfs/dbraw/zinc/04/77/17/362047717.db2.gz FBOJNZMIOJOOOA-UHFFFAOYSA-N 1 2 234.299 2.825 50 0 BFAALO Cc1ccc(C[N@H+](C)Cc2c(C)noc2C)o1 ZINC000042978285 362047723 /nfs/dbraw/zinc/04/77/23/362047723.db2.gz FBOJNZMIOJOOOA-UHFFFAOYSA-N 1 2 234.299 2.825 50 0 BFAALO C[C@H](O)CCc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000026462094 343105663 /nfs/dbraw/zinc/10/56/63/343105663.db2.gz ANEHHLDOZYEWQV-ZETCQYMHSA-N 1 2 224.691 2.530 50 0 BFAALO Nc1cc[nH+]c(Sc2ccccc2)c1 ZINC000005647653 346295900 /nfs/dbraw/zinc/29/59/00/346295900.db2.gz QTHRLAXTADMPEC-UHFFFAOYSA-N 1 2 202.282 2.815 50 0 BFAALO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccccc1C ZINC000037878785 179321281 /nfs/dbraw/zinc/32/12/81/179321281.db2.gz BIMLXZQAGWDUMP-GFCCVEGCSA-N 1 2 229.327 2.877 50 0 BFAALO Cc1cccn2cc(-c3ccc(N)cc3)[nH+]c12 ZINC000002455777 179354769 /nfs/dbraw/zinc/35/47/69/179354769.db2.gz GWBJQNMMOJBUIU-UHFFFAOYSA-N 1 2 223.279 2.892 50 0 BFAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1C ZINC000067605127 180119107 /nfs/dbraw/zinc/11/91/07/180119107.db2.gz ZWQHETODQRATNV-UHFFFAOYSA-N 1 2 238.294 2.786 50 0 BFAALO CC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029910675 352671788 /nfs/dbraw/zinc/67/17/88/352671788.db2.gz NQBXPLXZRFRUJN-UHFFFAOYSA-N 1 2 243.310 2.857 50 0 BFAALO FC(F)(F)C1=[NH+]CCNC(c2ccccc2)=C1 ZINC000000090508 180879011 /nfs/dbraw/zinc/87/90/11/180879011.db2.gz MTGUYKMVEUMQQY-UHFFFAOYSA-N 1 2 240.228 2.525 50 0 BFAALO CC(C)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000001459407 355770486 /nfs/dbraw/zinc/77/04/86/355770486.db2.gz NTEKDQGPPPJOSM-UHFFFAOYSA-N 1 2 243.310 2.645 50 0 BFAALO CCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000039338895 359647680 /nfs/dbraw/zinc/64/76/80/359647680.db2.gz WTYYZJDYWJCCTH-UHFFFAOYSA-N 1 2 229.283 2.611 50 0 BFAALO C[C@H](CCc1ccccc1F)Nc1c[nH]c[nH+]1 ZINC000225510902 370996062 /nfs/dbraw/zinc/99/60/62/370996062.db2.gz JOUDZVLTWHVWPH-SNVBAGLBSA-N 1 2 233.290 2.982 50 0 BFAALO c1cn(CCSC2CCCCC2)c[nH+]1 ZINC000159341485 206091449 /nfs/dbraw/zinc/09/14/49/206091449.db2.gz ZBOQYCFUDFUXKE-UHFFFAOYSA-N 1 2 210.346 2.949 50 0 BFAALO OCc1cccc(NCc2ccccc2Cl)[nH+]1 ZINC000170089119 183168137 /nfs/dbraw/zinc/16/81/37/183168137.db2.gz YNAARJCSNRYATB-UHFFFAOYSA-N 1 2 248.713 2.839 50 0 BFAALO Oc1cccc(-c2[nH+]ccn2CC(F)(F)F)c1 ZINC000071708050 183287284 /nfs/dbraw/zinc/28/72/84/183287284.db2.gz URCGLCPFJVPOSK-UHFFFAOYSA-N 1 2 242.200 2.818 50 0 BFAALO FC(F)(F)c1ccccc1-n1cc[nH+]c1 ZINC000000156214 383835875 /nfs/dbraw/zinc/83/58/75/383835875.db2.gz WZBWBNCQUTXYEL-UHFFFAOYSA-N 1 2 212.174 2.891 50 0 in-vitro BFAALO c1cc2n(c1)CC[NH+]=C2CCc1ccccc1 ZINC000000300843 383853770 /nfs/dbraw/zinc/85/37/70/383853770.db2.gz ZESLXYXTEXXGOI-UHFFFAOYSA-N 1 2 224.307 2.924 50 0 BFAALO CC(C)N1CCC[NH2+][C@]1(C)c1ccccc1 ZINC000071773922 384001127 /nfs/dbraw/zinc/00/11/27/384001127.db2.gz IANOMTUMKSQTDF-AWEZNQCLSA-N 1 2 218.344 2.563 50 0 BFAALO Cc1ccn2c(N)c(-c3cccs3)[nH+]c2c1 ZINC000003888329 384033942 /nfs/dbraw/zinc/03/39/42/384033942.db2.gz RWCXUFFPULHMEE-UHFFFAOYSA-N 1 2 229.308 2.953 50 0 BFAALO FC(F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000336409290 384224565 /nfs/dbraw/zinc/22/45/65/384224565.db2.gz FEQDLABXDYYWRV-UHFFFAOYSA-N 1 2 208.211 2.869 50 0 BFAALO c1cn(-c2ncnc3c4ccccc4oc32)c[nH+]1 ZINC000009338089 384244901 /nfs/dbraw/zinc/24/49/01/384244901.db2.gz IHNRZBZZHUQTOZ-UHFFFAOYSA-N 1 2 236.234 2.562 50 0 BFAALO CCc1ccc(Nc2[nH+]cccc2N)cc1 ZINC000015864733 384444175 /nfs/dbraw/zinc/44/41/75/384444175.db2.gz CVOVVCDULLXROA-UHFFFAOYSA-N 1 2 213.284 2.970 50 0 BFAALO C[C@@H](CCc1cccn1C)Nc1cccc[nH+]1 ZINC000078423487 384711635 /nfs/dbraw/zinc/71/16/35/384711635.db2.gz PBCJZTIZFGGTTH-LBPRGKRZSA-N 1 2 229.327 2.853 50 0 BFAALO CC[C@@H](C)[N@H+](Cc1cnc[nH]1)Cc1cccnc1 ZINC000055196071 384874283 /nfs/dbraw/zinc/87/42/83/384874283.db2.gz LNFKCNVWNMWXBS-GFCCVEGCSA-N 1 2 244.342 2.605 50 0 BFAALO CC[C@@H](C)[N@@H+](Cc1cnc[nH]1)Cc1cccnc1 ZINC000055196071 384874291 /nfs/dbraw/zinc/87/42/91/384874291.db2.gz LNFKCNVWNMWXBS-GFCCVEGCSA-N 1 2 244.342 2.605 50 0 BFAALO Cc1cc(C[N@@H+](C)Cc2ccc(C)cc2)no1 ZINC000058024656 384978405 /nfs/dbraw/zinc/97/84/05/384978405.db2.gz SMLAXBDUMGHGDG-UHFFFAOYSA-N 1 2 230.311 2.923 50 0 BFAALO Cc1cc(C[N@H+](C)Cc2ccc(C)cc2)no1 ZINC000058024656 384978412 /nfs/dbraw/zinc/97/84/12/384978412.db2.gz SMLAXBDUMGHGDG-UHFFFAOYSA-N 1 2 230.311 2.923 50 0 BFAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2C)[nH+]1 ZINC000065502623 385316613 /nfs/dbraw/zinc/31/66/13/385316613.db2.gz BZMJTBJKSOUPGE-UHFFFAOYSA-N 1 2 238.294 2.786 50 0 BFAALO Cc1cc(C)[nH+]c(CN(C)Cc2cscn2)c1 ZINC000244882641 386588605 /nfs/dbraw/zinc/58/86/05/386588605.db2.gz XVPWWXBOHIQPFU-UHFFFAOYSA-N 1 2 247.367 2.787 50 0 BFAALO Fc1cc(NCc2[nH]cc[nH+]2)ccc1Cl ZINC000049715191 387006222 /nfs/dbraw/zinc/00/62/22/387006222.db2.gz BYUHXWDCFDQWRJ-UHFFFAOYSA-N 1 2 225.654 2.814 50 0 BFAALO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000036901561 388006176 /nfs/dbraw/zinc/00/61/76/388006176.db2.gz QUDPFSVGUYHNBN-SECBINFHSA-N 1 2 233.290 2.708 50 0 BFAALO Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000082545044 388037674 /nfs/dbraw/zinc/03/76/74/388037674.db2.gz YCICADUXPJHXGT-UHFFFAOYSA-N 1 2 223.279 2.736 50 0 BFAALO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000042541156 388097077 /nfs/dbraw/zinc/09/70/77/388097077.db2.gz FROHJBBSIDZRDG-VIFPVBQESA-N 1 2 249.289 2.710 50 0 BFAALO Cc1noc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000042541156 388097081 /nfs/dbraw/zinc/09/70/81/388097081.db2.gz FROHJBBSIDZRDG-VIFPVBQESA-N 1 2 249.289 2.710 50 0 BFAALO CC(C)c1[nH+]ccn1-c1ccc(CCO)cc1 ZINC000065371026 388259642 /nfs/dbraw/zinc/25/96/42/388259642.db2.gz KGVMMLJQEVNFMF-UHFFFAOYSA-N 1 2 230.311 2.531 50 0 BFAALO C[C@@H]([NH2+]Cc1ccon1)c1ccccc1N(C)C ZINC000093946502 388748535 /nfs/dbraw/zinc/74/85/35/388748535.db2.gz APDXKJJGXKYGBB-LLVKDONJSA-N 1 2 245.326 2.591 50 0 BFAALO COc1ccc(CNc2c[nH+]ccc2OC)cc1 ZINC000095972281 388798251 /nfs/dbraw/zinc/79/82/51/388798251.db2.gz NPMGCUKRCOEYRQ-UHFFFAOYSA-N 1 2 244.294 2.711 50 0 BFAALO CC(C)(C)c1cc(Cn2cc[nH+]c2)ccc1O ZINC000000155470 388802725 /nfs/dbraw/zinc/80/27/25/388802725.db2.gz BASAXQLKZGXFFT-UHFFFAOYSA-N 1 2 230.311 2.935 50 0 BFAALO CCc1ccc(NCc2[nH]cc[nH+]2)cc1F ZINC000125887937 388811777 /nfs/dbraw/zinc/81/17/77/388811777.db2.gz XPEMEFIXOMXJIK-UHFFFAOYSA-N 1 2 219.263 2.723 50 0 BFAALO Cn1ccnc1C[N@H+](Cc1cccs1)C1CC1 ZINC000058171839 398070919 /nfs/dbraw/zinc/07/09/19/398070919.db2.gz GYAGOYBJPYHKHG-UHFFFAOYSA-N 1 2 247.367 2.646 50 0 BFAALO Cn1ccnc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000058171839 398070922 /nfs/dbraw/zinc/07/09/22/398070922.db2.gz GYAGOYBJPYHKHG-UHFFFAOYSA-N 1 2 247.367 2.646 50 0 BFAALO Cn1cc[nH+]c1CN(Cc1cccs1)C1CC1 ZINC000058171839 398070925 /nfs/dbraw/zinc/07/09/25/398070925.db2.gz GYAGOYBJPYHKHG-UHFFFAOYSA-N 1 2 247.367 2.646 50 0 BFAALO COCCN(C)c1ccc(-c2ccsc2)c[nH+]1 ZINC000585091884 487576899 /nfs/dbraw/zinc/57/68/99/487576899.db2.gz AMIURHHJPXUAES-UHFFFAOYSA-N 1 2 248.351 2.893 50 0 BFAALO COC[C@H](C)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000097095661 410052771 /nfs/dbraw/zinc/05/27/71/410052771.db2.gz IBILHIOVZIOHPD-NSHDSACASA-N 1 2 245.326 2.534 50 0 BFAALO Brc1cccc(Cn2cc[nH+]c2)c1 ZINC000012370275 166100915 /nfs/dbraw/zinc/10/09/15/166100915.db2.gz BGYZLOIBJCHCTI-UHFFFAOYSA-N 1 2 237.100 2.694 50 0 in-vivo BFAALO Brc1ccccc1-c1[nH]cc[nH+]1 ZINC000034146357 166103504 /nfs/dbraw/zinc/10/35/04/166103504.db2.gz LMTCUTLBCVWIFS-UHFFFAOYSA-N 1 2 223.073 2.839 50 0 BFAALO CC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000065612941 170006939 /nfs/dbraw/zinc/00/69/39/170006939.db2.gz XRQOCOOOUBGDQN-LBPRGKRZSA-N 1 2 225.719 2.733 50 0 BFAALO CC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000065612941 170006940 /nfs/dbraw/zinc/00/69/40/170006940.db2.gz XRQOCOOOUBGDQN-LBPRGKRZSA-N 1 2 225.719 2.733 50 0 BFAALO C[N@@H+]1[C@@H](CCc2ccccc2)OCC1(C)C ZINC000071773338 173205492 /nfs/dbraw/zinc/20/54/92/173205492.db2.gz BXXIIAIIGOXHSG-CYBMUJFWSA-N 1 2 219.328 2.686 50 0 BFAALO C[N@H+]1[C@@H](CCc2ccccc2)OCC1(C)C ZINC000071773338 173205496 /nfs/dbraw/zinc/20/54/96/173205496.db2.gz BXXIIAIIGOXHSG-CYBMUJFWSA-N 1 2 219.328 2.686 50 0 BFAALO COCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000053420654 174300960 /nfs/dbraw/zinc/30/09/60/174300960.db2.gz SIESNCIODJAPJX-UHFFFAOYSA-N 1 2 235.283 2.521 50 0 BFAALO COc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1 ZINC000058007685 175095335 /nfs/dbraw/zinc/09/53/35/175095335.db2.gz WYUVKIYZSXBJIC-UHFFFAOYSA-N 1 2 246.310 2.624 50 0 BFAALO COc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1 ZINC000058007685 175095337 /nfs/dbraw/zinc/09/53/37/175095337.db2.gz WYUVKIYZSXBJIC-UHFFFAOYSA-N 1 2 246.310 2.624 50 0 BFAALO COc1ccc([NH2+]CC(C)C)c(OC)c1 ZINC000019903356 175150530 /nfs/dbraw/zinc/15/05/30/175150530.db2.gz AIRPCVIPEGVBPJ-UHFFFAOYSA-N 1 2 209.289 2.772 50 0 BFAALO C[C@@H](c1cccc(F)c1)N1CCn2cc[nH+]c2C1 ZINC000097201310 176017758 /nfs/dbraw/zinc/01/77/58/176017758.db2.gz VMYCNBFGFFEUTF-NSHDSACASA-N 1 2 245.301 2.599 50 0 BFAALO C[C@@H]1C[NH+](Cc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000023114701 176304321 /nfs/dbraw/zinc/30/43/21/176304321.db2.gz CVNSXCFVYUQSAW-NXEZZACHSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@H]1C[NH+](Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000023280380 177260202 /nfs/dbraw/zinc/26/02/02/177260202.db2.gz QKXZECVENBQXPC-UWVGGRQHSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000023280376 177260728 /nfs/dbraw/zinc/26/07/28/177260728.db2.gz QKXZECVENBQXPC-AOOOYVTPSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000023280376 177260729 /nfs/dbraw/zinc/26/07/29/177260729.db2.gz QKXZECVENBQXPC-AOOOYVTPSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000012341304 177263649 /nfs/dbraw/zinc/26/36/49/177263649.db2.gz VMZLJDJODGHFPC-AOOOYVTPSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000012341304 177263650 /nfs/dbraw/zinc/26/36/50/177263650.db2.gz VMZLJDJODGHFPC-AOOOYVTPSA-N 1 2 241.281 2.574 50 0 BFAALO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000336275369 487537352 /nfs/dbraw/zinc/53/73/52/487537352.db2.gz IZUBONNENREMDT-ZYHUDNBSSA-N 1 2 226.295 2.868 50 0 BFAALO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000336275369 487537358 /nfs/dbraw/zinc/53/73/58/487537358.db2.gz IZUBONNENREMDT-ZYHUDNBSSA-N 1 2 226.295 2.868 50 0 BFAALO CCCc1c[nH+]c(C)nc1NC[C@]1(C)CCCO1 ZINC000670453402 487507149 /nfs/dbraw/zinc/50/71/49/487507149.db2.gz RLWXUEYVEJFJSL-AWEZNQCLSA-N 1 2 249.358 2.719 50 0 BFAALO CC(=O)c1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000084036688 518290191 /nfs/dbraw/zinc/29/01/91/518290191.db2.gz QWFWKFAXZACKHI-UHFFFAOYSA-N 1 2 232.327 2.708 50 0 BFAALO COc1ccc([NH2+]CCC(=O)c2ccco2)cc1 ZINC000002522084 524677836 /nfs/dbraw/zinc/67/78/36/524677836.db2.gz HDQJYYUCFXPIPN-UHFFFAOYSA-N 1 2 245.278 2.973 50 0 BFAALO CC(C)c1nn(C)cc1-c1cccc2[nH+]ccn21 ZINC000904219572 584853137 /nfs/dbraw/zinc/85/31/37/584853137.db2.gz OZDCMICQNGUIHF-UHFFFAOYSA-N 1 2 240.310 2.858 50 0 BFAALO CCC(=O)c1ccccc1OCCn1cc[nH+]c1 ZINC000004842215 635115316 /nfs/dbraw/zinc/11/53/16/635115316.db2.gz OTHQVLLHUXACTD-UHFFFAOYSA-N 1 2 244.294 2.555 50 0 BFAALO Cc1n[nH]c(C)c1-c1cc(C)c2[nH+]ccn2c1 ZINC000426370776 635694639 /nfs/dbraw/zinc/69/46/39/635694639.db2.gz ZAVGCMGKNZZWGT-UHFFFAOYSA-N 1 2 226.283 2.650 50 0 BFAALO Cc1cc(C[NH2+]C2(c3ccccc3F)CC2)no1 ZINC000095985306 178018520 /nfs/dbraw/zinc/01/85/20/178018520.db2.gz NVERBHYQIGXORZ-UHFFFAOYSA-N 1 2 246.285 2.901 50 0 BFAALO Cc1cc(NC(=O)c2ccc(F)c(F)c2)cc[nH+]1 ZINC000071900262 178150528 /nfs/dbraw/zinc/15/05/28/178150528.db2.gz RJFJRNHGZDQAEC-UHFFFAOYSA-N 1 2 248.232 2.921 50 0 BFAALO Cc1ccc(O)c(CCc2ccccc2)[nH+]1 ZINC000000251343 342681277 /nfs/dbraw/zinc/68/12/77/342681277.db2.gz XQUQTPFCPUQDGI-UHFFFAOYSA-N 1 2 213.280 2.881 50 0 BFAALO Cn1c2ccccc2[nH+]c1NCc1ccco1 ZINC000000350255 342684572 /nfs/dbraw/zinc/68/45/72/342684572.db2.gz UBNUCQQDFYUHQK-UHFFFAOYSA-N 1 2 227.267 2.778 50 0 BFAALO Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC000005593688 342766709 /nfs/dbraw/zinc/76/67/09/342766709.db2.gz NEWWXWMKZVSLFT-UHFFFAOYSA-N 1 2 209.252 2.812 50 0 BFAALO CC[N@H+](Cc1nnc(C)o1)Cc1ccccc1C ZINC000048059339 342793917 /nfs/dbraw/zinc/79/39/17/342793917.db2.gz KABMOQIBVKVLQE-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO CC[N@@H+](Cc1nnc(C)o1)Cc1ccccc1C ZINC000048059339 342793921 /nfs/dbraw/zinc/79/39/21/342793921.db2.gz KABMOQIBVKVLQE-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO Cc1ccc(OCCn2cc[nH+]c2)cc1C ZINC000000433222 343269909 /nfs/dbraw/zinc/26/99/09/343269909.db2.gz LYGKFUZSRFSKDK-UHFFFAOYSA-N 1 2 216.284 2.579 50 0 BFAALO Nc1ccc(Br)c2cc[nH+]cc12 ZINC000039119718 343385469 /nfs/dbraw/zinc/38/54/69/343385469.db2.gz BTFXYVXBWMRHIB-UHFFFAOYSA-N 1 2 223.073 2.580 50 0 BFAALO Nc1ccc(-c2cc(F)cc(F)c2)c[nH+]1 ZINC000041214475 343417355 /nfs/dbraw/zinc/41/73/55/343417355.db2.gz PGNMGBYVHYFYBX-UHFFFAOYSA-N 1 2 206.195 2.609 50 0 BFAALO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(F)c1 ZINC000166543768 344924143 /nfs/dbraw/zinc/92/41/43/344924143.db2.gz XJQWSDCHIBNTNO-CYBMUJFWSA-N 1 2 233.290 2.790 50 0 BFAALO O=C(CCC1CCCCC1)NC1=[NH+]CCS1 ZINC000000189927 346402138 /nfs/dbraw/zinc/40/21/38/346402138.db2.gz BNPXHHBRHHBNSM-UHFFFAOYSA-N 1 2 240.372 2.566 50 0 BFAALO Clc1cccc(OCCn2cc[nH+]c2)c1 ZINC000000431619 346418734 /nfs/dbraw/zinc/41/87/34/346418734.db2.gz VPAOHFJUGCBTIC-UHFFFAOYSA-N 1 2 222.675 2.616 50 0 BFAALO COCCCSCc1ccc(C)[nH+]c1C ZINC000195571504 347647709 /nfs/dbraw/zinc/64/77/09/347647709.db2.gz FVJBDDZRPDNFCF-UHFFFAOYSA-N 1 2 225.357 2.968 50 0 BFAALO CC[C@@H]([NH2+]Cc1nnc(C)o1)c1cccs1 ZINC000184062504 347878662 /nfs/dbraw/zinc/87/86/62/347878662.db2.gz XMZZYSRHXRPGOA-SECBINFHSA-N 1 2 237.328 2.680 50 0 BFAALO Cc1[nH+]c2ccc(N)cc2n1-c1ccccc1 ZINC000007986296 180092663 /nfs/dbraw/zinc/09/26/63/180092663.db2.gz UVOUBANZZAIMEZ-UHFFFAOYSA-N 1 2 223.279 2.916 50 0 BFAALO Cc1nc(N)c(-c2ccc(Cl)cc2)c[nH+]1 ZINC000011737091 180121174 /nfs/dbraw/zinc/12/11/74/180121174.db2.gz LYKQKQGGANXOJD-UHFFFAOYSA-N 1 2 219.675 2.688 50 0 BFAALO C[NH+](C)Cc1cc(Cl)c(O)c(Cl)c1 ZINC000019851453 188108272 /nfs/dbraw/zinc/10/82/72/188108272.db2.gz IBHHIABVMOAELM-UHFFFAOYSA-N 1 2 220.099 2.761 50 0 BFAALO [NH2+]=C1Nc2ccccc2Oc2ccccc21 ZINC000004108798 181340237 /nfs/dbraw/zinc/34/02/37/181340237.db2.gz WJWDEWXJRCMLMU-UHFFFAOYSA-N 1 2 210.236 2.829 50 0 BFAALO Cc1ccc(Nc2[nH+]cccc2N)c(F)c1 ZINC000020585793 371302128 /nfs/dbraw/zinc/30/21/28/371302128.db2.gz WLCZICNNPYWJGG-UHFFFAOYSA-N 1 2 217.247 2.855 50 0 BFAALO Cc1cccc(NC2=[NH+][C@@H](C)CS2)c1 ZINC000003308364 371949714 /nfs/dbraw/zinc/94/97/14/371949714.db2.gz FWENXIRYYJLUSB-VIFPVBQESA-N 1 2 206.314 2.898 50 0 BFAALO Oc1cc(Br)ccc1-c1[nH]cc[nH+]1 ZINC000095616726 183256387 /nfs/dbraw/zinc/25/63/87/183256387.db2.gz DMARJHVWFFDMSN-UHFFFAOYSA-N 1 2 239.072 2.545 50 0 BFAALO c1ccc(C2=[NH+]CCN3[C@@H](c4ccccc4)[C@@H]23)cc1 ZINC000023243458 183388689 /nfs/dbraw/zinc/38/86/89/183388689.db2.gz QVPANXFAXRPUEK-PZEDNMLSSA-N 1 2 248.329 2.915 50 0 BFAALO CCc1cccc(OCCn2cc[nH+]c2)c1 ZINC000000311499 383853812 /nfs/dbraw/zinc/85/38/12/383853812.db2.gz NKDNGXGTUVKPLR-UHFFFAOYSA-N 1 2 216.284 2.525 50 0 BFAALO C[NH+](C)c1ccc(Nc2cc(Cl)ncn2)cc1 ZINC000000966626 383885996 /nfs/dbraw/zinc/88/59/96/383885996.db2.gz OHEQIHGFHCGZKW-UHFFFAOYSA-N 1 2 248.717 2.940 50 0 BFAALO Fc1ccc(-c2n[nH]cc2-c2[nH]cc[nH+]2)cc1 ZINC000067847431 383954358 /nfs/dbraw/zinc/95/43/58/383954358.db2.gz ASPQNFCSTOMKOU-UHFFFAOYSA-N 1 2 228.230 2.606 50 0 BFAALO Nc1cc2cccc(C(F)(F)F)c2c[nH+]1 ZINC000091692353 384138503 /nfs/dbraw/zinc/13/85/03/384138503.db2.gz CYOPFIOCKFMNHI-UHFFFAOYSA-N 1 2 212.174 2.836 50 0 BFAALO CCc1cc(NCCCOC2CCCC2)nc[nH+]1 ZINC000095392817 384371394 /nfs/dbraw/zinc/37/13/94/384371394.db2.gz DZPJFUCIBHZRJP-UHFFFAOYSA-N 1 2 249.358 2.800 50 0 BFAALO Nc1ccc(SCc2ccccc2)c[nH+]1 ZINC000019869339 384544470 /nfs/dbraw/zinc/54/44/70/384544470.db2.gz IYYBMHZDZXPAGP-UHFFFAOYSA-N 1 2 216.309 2.956 50 0 BFAALO Cc1cc(C)c(NCc2[nH+]ccn2C)c(C)c1 ZINC000051923584 384705567 /nfs/dbraw/zinc/70/55/67/384705567.db2.gz MCFNMGFFVGZYMG-UHFFFAOYSA-N 1 2 229.327 2.957 50 0 BFAALO Nc1[nH+]cccc1OCC1CCCCC1 ZINC000026513734 384877152 /nfs/dbraw/zinc/87/71/52/384877152.db2.gz GSQLAKVHHSYJHS-UHFFFAOYSA-N 1 2 206.289 2.623 50 0 BFAALO c1cn(C23CC4CC(CC(C4)C2)C3)c[nH+]1 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/nfs/dbraw/zinc/73/74/34/388737434.db2.gz MDNJDLHTTGUXBM-UHFFFAOYSA-N 1 2 248.717 2.654 50 0 BFAALO Cc1ccc(C[NH2+]Cc2ccn[nH]2)cc1Cl ZINC000225502709 388723950 /nfs/dbraw/zinc/72/39/50/388723950.db2.gz SPILZFBMSCWDRF-UHFFFAOYSA-N 1 2 235.718 2.661 50 0 BFAALO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000095427007 388769625 /nfs/dbraw/zinc/76/96/25/388769625.db2.gz SHUVXZZBSOTAME-VIFPVBQESA-N 1 2 233.290 2.708 50 0 BFAALO Cc1c[nH+]cc(NCc2cnn(C(C)(C)C)c2)c1 ZINC000095430902 388771729 /nfs/dbraw/zinc/77/17/29/388771729.db2.gz PSVGOTDMCSBTLE-UHFFFAOYSA-N 1 2 244.342 2.954 50 0 BFAALO C[C@H]1CN(c2cccc[nH+]2)CCC1(F)F ZINC000291193212 132218062 /nfs/dbraw/zinc/21/80/62/132218062.db2.gz SYITZAQJCDTKLN-VIFPVBQESA-N 1 2 212.243 2.563 50 0 BFAALO Cc1cc(N2CCC(O)CC2)[nH+]c2ccccc12 ZINC000000244893 132313218 /nfs/dbraw/zinc/31/32/18/132313218.db2.gz PBODOLYEBSHHSA-UHFFFAOYSA-N 1 2 242.322 2.504 50 0 BFAALO Brc1ccc(C[NH+]2CCC2)cc1 ZINC000096025003 166097128 /nfs/dbraw/zinc/09/71/28/166097128.db2.gz 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249.314 2.726 50 0 BFAALO CCn1ccnc1C[N@H+](C)Cc1sccc1C ZINC000065380558 172218084 /nfs/dbraw/zinc/21/80/84/172218084.db2.gz KXNBGNDEDXMMER-UHFFFAOYSA-N 1 2 249.383 2.905 50 0 BFAALO CCn1ccnc1C[N@@H+](C)Cc1sccc1C ZINC000065380558 172218086 /nfs/dbraw/zinc/21/80/86/172218086.db2.gz KXNBGNDEDXMMER-UHFFFAOYSA-N 1 2 249.383 2.905 50 0 BFAALO COCCSCc1c(C)[nH+]c2ccccn21 ZINC000089547725 174375456 /nfs/dbraw/zinc/37/54/56/174375456.db2.gz ABMDHDZXXUFLES-UHFFFAOYSA-N 1 2 236.340 2.522 50 0 BFAALO COc1cc2c(cc1OC)C(C)=[NH+]C(C)(C)C2 ZINC000002055021 175024935 /nfs/dbraw/zinc/02/49/35/175024935.db2.gz GHDJZAVHDPGMGK-UHFFFAOYSA-N 1 2 233.311 2.848 50 0 biogenic BFAALO COc1cc2cc[nH+]cc2cc1OCCSC ZINC000097378076 175027005 /nfs/dbraw/zinc/02/70/05/175027005.db2.gz RMVQRIHBYMZNRK-UHFFFAOYSA-N 1 2 249.335 2.985 50 0 BFAALO COc1ccc(-c2c[nH]c(C)[nH+]2)c(C)c1 ZINC000065406989 175030339 /nfs/dbraw/zinc/03/03/39/175030339.db2.gz GNOHHKXPVGGMAH-UHFFFAOYSA-N 1 2 202.257 2.702 50 0 BFAALO COc1ccc(-c2ccc(N)[nH+]c2)c(C)c1 ZINC000052886414 175033910 /nfs/dbraw/zinc/03/39/10/175033910.db2.gz NNXMTMFZUPCBAA-UHFFFAOYSA-N 1 2 214.268 2.648 50 0 BFAALO COc1cccc(CNc2[nH+]cccc2OC)c1 ZINC000169025966 175268870 /nfs/dbraw/zinc/26/88/70/175268870.db2.gz FMWJXJYDJIZQON-UHFFFAOYSA-N 1 2 244.294 2.711 50 0 BFAALO COc1ccccc1-n1c[nH+]c2cc(N)ccc21 ZINC000000972525 175312468 /nfs/dbraw/zinc/31/24/68/175312468.db2.gz SWJKWARGFFLVJA-UHFFFAOYSA-N 1 2 239.278 2.616 50 0 BFAALO COc1cc[nH+]cc1NC(=O)C1CCCCC1 ZINC000069378772 175375754 /nfs/dbraw/zinc/37/57/54/175375754.db2.gz AQAYXPPDNBVWET-UHFFFAOYSA-N 1 2 234.299 2.609 50 0 BFAALO C[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000078241666 176101386 /nfs/dbraw/zinc/10/13/86/176101386.db2.gz FZCGMAHJHIDDBE-SECBINFHSA-N 1 2 229.274 2.510 50 0 BFAALO C[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000078241666 176101387 /nfs/dbraw/zinc/10/13/87/176101387.db2.gz FZCGMAHJHIDDBE-SECBINFHSA-N 1 2 229.274 2.510 50 0 BFAALO C[C@@H]1C[NH+](Cc2cccc(Cl)c2)C[C@@H](C)O1 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ZINC000089969322 521448730 /nfs/dbraw/zinc/44/87/30/521448730.db2.gz UCSNXGKDBBQDPJ-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO CC[N@@H+](Cc1nc(C)c(C)o1)Cc1ccccn1 ZINC000089969322 521448736 /nfs/dbraw/zinc/44/87/36/521448736.db2.gz UCSNXGKDBBQDPJ-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO COC(=O)c1ccccc1-c1c[nH+]cn1C(C)C ZINC000261115969 582898187 /nfs/dbraw/zinc/89/81/87/582898187.db2.gz HGRTXAQLDMPIGI-UHFFFAOYSA-N 1 2 244.294 2.918 50 0 BFAALO CCc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000016667684 642981177 /nfs/dbraw/zinc/98/11/77/642981177.db2.gz DUJSJXQAPZMABU-UHFFFAOYSA-N 1 2 230.311 2.915 50 0 BFAALO C[C@@H](Nc1cc[nH+]cc1F)C1=CCCCC1 ZINC001529190123 990338922 /nfs/dbraw/zinc/33/89/22/990338922.db2.gz FFJHQPWBQKXXIG-SNVBAGLBSA-N 1 2 220.291 2.943 50 0 BFAALO Cc1cc(F)ccc1NC1=[NH+]CCS1 ZINC000001045614 178089217 /nfs/dbraw/zinc/08/92/17/178089217.db2.gz FUWXIXFHPRDTSQ-UHFFFAOYSA-N 1 2 210.277 2.649 50 0 BFAALO Cc1cc(N2CCc3ccccc32)nc(C)[nH+]1 ZINC000032769728 178120590 /nfs/dbraw/zinc/12/05/90/178120590.db2.gz VIHNZQRVQZTRNI-UHFFFAOYSA-N 1 2 225.295 2.788 50 0 BFAALO Cc1cc(NC(=O)Cc2cccs2)cc[nH+]1 ZINC000072281119 178133845 /nfs/dbraw/zinc/13/38/45/178133845.db2.gz WZDAWCRDLJQJME-UHFFFAOYSA-N 1 2 232.308 2.633 50 0 BFAALO Cc1cc(NC(=O)NC(C2CC2)C2CC2)cc[nH+]1 ZINC000096489204 178137557 /nfs/dbraw/zinc/13/75/57/178137557.db2.gz KEOVMBRQSCCLTB-UHFFFAOYSA-N 1 2 245.326 2.700 50 0 BFAALO CC1(C)C[NH+]=C(Nc2ccccc2)S1 ZINC000000135011 342676372 /nfs/dbraw/zinc/67/63/72/342676372.db2.gz YIPRTJZUHWOBBD-UHFFFAOYSA-N 1 2 206.314 2.980 50 0 BFAALO CC(C)c1[nH+]cc([C@H](O)c2ccccc2)n1C ZINC000000525746 342689589 /nfs/dbraw/zinc/68/95/89/342689589.db2.gz PBOSUJQHYYRGHM-CYBMUJFWSA-N 1 2 230.311 2.625 50 0 BFAALO CC[C@@H](C)Cn1c2ccccc2[nH+]c1CCO ZINC000008786051 342804938 /nfs/dbraw/zinc/80/49/38/342804938.db2.gz OOJUWOLZPKRRCN-LLVKDONJSA-N 1 2 232.327 2.617 50 0 BFAALO CC(C)Cn1c2ccccc2[nH+]c1CCCO ZINC000012382417 342850695 /nfs/dbraw/zinc/85/06/95/342850695.db2.gz BMXGJPJVPRUCDE-UHFFFAOYSA-N 1 2 232.327 2.617 50 0 BFAALO [NH3+]c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000019874937 342960192 /nfs/dbraw/zinc/96/01/92/342960192.db2.gz RXWRAZGLVOCTDG-UHFFFAOYSA-N 1 2 224.307 2.832 50 0 BFAALO C[C@@H](O)CCc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000026462087 343105702 /nfs/dbraw/zinc/10/57/02/343105702.db2.gz ANEHHLDOZYEWQV-SSDOTTSWSA-N 1 2 224.691 2.530 50 0 BFAALO C[C@H](CC(=O)Nc1ccc(F)cc1)n1cc[nH+]c1 ZINC000021917340 343778304 /nfs/dbraw/zinc/77/83/04/343778304.db2.gz SGGWNKWWCBCHJH-SNVBAGLBSA-N 1 2 247.273 2.612 50 0 BFAALO CC[C@@H](c1ccccn1)[N@H+](C)Cc1coc(C)n1 ZINC000067774813 343904772 /nfs/dbraw/zinc/90/47/72/343904772.db2.gz NCWDSCIQYDXUOF-AWEZNQCLSA-N 1 2 245.326 2.961 50 0 BFAALO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1coc(C)n1 ZINC000067774813 343904774 /nfs/dbraw/zinc/90/47/74/343904774.db2.gz NCWDSCIQYDXUOF-AWEZNQCLSA-N 1 2 245.326 2.961 50 0 BFAALO COC(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089960 344389146 /nfs/dbraw/zinc/38/91/46/344389146.db2.gz 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IWYAOYMSUXAEHT-UHFFFAOYSA-N 1 2 227.242 2.723 50 0 BFAALO Cc1cc(C[N@@H+](C)Cc2sccc2C)no1 ZINC000040465910 373280637 /nfs/dbraw/zinc/28/06/37/373280637.db2.gz OWTKRBRHJPCRPL-UHFFFAOYSA-N 1 2 236.340 2.985 50 0 BFAALO Cc1cc(C[N@H+](C)Cc2sccc2C)no1 ZINC000040465910 373280644 /nfs/dbraw/zinc/28/06/44/373280644.db2.gz OWTKRBRHJPCRPL-UHFFFAOYSA-N 1 2 236.340 2.985 50 0 BFAALO c1ccc(C2=[NH+]CCN3[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000034857979 183389573 /nfs/dbraw/zinc/38/95/73/183389573.db2.gz QVPANXFAXRPUEK-QNZPCDNOSA-N 1 2 248.329 2.915 50 0 BFAALO CCC[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000075093563 169372371 /nfs/dbraw/zinc/37/23/71/169372371.db2.gz UKKHCBLZGAWMLL-MRVPVSSYSA-N 1 2 236.344 2.644 50 0 BFAALO FC(F)(F)c1cccc(-n2cc[nH+]c2)c1 ZINC000000160385 383835801 /nfs/dbraw/zinc/83/58/01/383835801.db2.gz KZVUPVJLOACZIL-UHFFFAOYSA-N 1 2 212.174 2.891 50 0 BFAALO c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000071899574 384044745 /nfs/dbraw/zinc/04/47/45/384044745.db2.gz CBRUBVMDRAGESN-AWEZNQCLSA-N 1 2 239.322 2.772 50 0 BFAALO Cc1cccc(C[C@@H](CO)c2ccccc2)[nH+]1 ZINC000004558720 384069598 /nfs/dbraw/zinc/06/95/98/384069598.db2.gz QVNGRAVUWMOPLO-AWEZNQCLSA-N 1 2 227.307 2.709 50 0 BFAALO Nc1cc2cccc(Br)c2c[nH+]1 ZINC000091692368 384137393 /nfs/dbraw/zinc/13/73/93/384137393.db2.gz MELBFTIXTXTDDR-UHFFFAOYSA-N 1 2 223.073 2.580 50 0 BFAALO CCc1cc(NCC2(COC)CCCC2)nc[nH+]1 ZINC000095359094 384371374 /nfs/dbraw/zinc/37/13/74/384371374.db2.gz FWVGOXLSRMTBGR-UHFFFAOYSA-N 1 2 249.358 2.658 50 0 BFAALO Cc1ccc(OCCCn2cc[nH+]c2)cc1C ZINC000002497243 384571885 /nfs/dbraw/zinc/57/18/85/384571885.db2.gz BVJQFSKSXFEDIP-UHFFFAOYSA-N 1 2 230.311 2.969 50 0 BFAALO Cc1ccc(F)c(-c2ccc(N)[nH+]c2)c1 ZINC000052886377 384752791 /nfs/dbraw/zinc/75/27/91/384752791.db2.gz MDZIEXYUPXYZGX-UHFFFAOYSA-N 1 2 202.232 2.778 50 0 BFAALO CCCCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000072307754 385221868 /nfs/dbraw/zinc/22/18/68/385221868.db2.gz KIRKNZNXFSCZON-UHFFFAOYSA-N 1 2 218.304 2.503 50 0 BFAALO Cc1cc(C)nc(NCc2c[nH+]c(C)c(C)c2)n1 ZINC000065535034 385322519 /nfs/dbraw/zinc/32/25/19/385322519.db2.gz CWKIBOQOMKRYSO-UHFFFAOYSA-N 1 2 242.326 2.717 50 0 BFAALO CCCC[N@H+](Cc1ncon1)Cc1ccccc1 ZINC000299791383 386489698 /nfs/dbraw/zinc/48/96/98/386489698.db2.gz DZURJDHKYVKIGX-UHFFFAOYSA-N 1 2 245.326 2.872 50 0 BFAALO CCCC[N@@H+](Cc1ncon1)Cc1ccccc1 ZINC000299791383 386489707 /nfs/dbraw/zinc/48/97/07/386489707.db2.gz DZURJDHKYVKIGX-UHFFFAOYSA-N 1 2 245.326 2.872 50 0 BFAALO CC(C)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000064553551 387219885 /nfs/dbraw/zinc/21/98/85/387219885.db2.gz CIFGNZPLDFCNPW-UHFFFAOYSA-N 1 2 230.315 2.670 50 0 BFAALO Cc1c[nH]c([C@@H](C)NC(=O)CCC(C)(C)C)[nH+]1 ZINC000426526050 387579240 /nfs/dbraw/zinc/57/92/40/387579240.db2.gz JSCDNTHSORXRHT-SNVBAGLBSA-N 1 2 237.347 2.722 50 0 BFAALO FC(F)(F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000070163100 388433336 /nfs/dbraw/zinc/43/33/36/388433336.db2.gz VGQSHPDOXRWNAO-UHFFFAOYSA-N 1 2 226.201 2.950 50 0 BFAALO FCCCCC[NH2+]c1ccc(-n2cncn2)cc1 ZINC000225433062 388693101 /nfs/dbraw/zinc/69/31/01/388693101.db2.gz OYKLMIIRBPBCDS-UHFFFAOYSA-N 1 2 248.305 2.819 50 0 BFAALO CCSc1ccc(NCc2[nH]cc[nH+]2)cn1 ZINC000095430858 388769097 /nfs/dbraw/zinc/76/90/97/388769097.db2.gz ABAIXMUTESJKHV-UHFFFAOYSA-N 1 2 234.328 2.529 50 0 BFAALO CC1CCN(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000225522430 388829906 /nfs/dbraw/zinc/82/99/06/388829906.db2.gz QPXDPFGMWVZQAN-UHFFFAOYSA-N 1 2 242.326 2.504 50 0 BFAALO Brc1ccc(Cn2cc[nH+]c2)cc1 ZINC000004810192 166098308 /nfs/dbraw/zinc/09/83/08/166098308.db2.gz MZJSYLIOMLCYIS-UHFFFAOYSA-N 1 2 237.100 2.694 50 0 in-vivo BFAALO Brc1ccccc1-n1cc[nH+]c1 ZINC000079390172 166102432 /nfs/dbraw/zinc/10/24/32/166102432.db2.gz HFPBSOYHRXOAMW-UHFFFAOYSA-N 1 2 223.073 2.635 50 0 BFAALO CC[C@@H]1C[NH+]=C(Nc2cccc(OC)c2)S1 ZINC000003228237 171099697 /nfs/dbraw/zinc/09/96/97/171099697.db2.gz NVQONLPKBDCYGW-LLVKDONJSA-N 1 2 236.340 2.989 50 0 BFAALO CC[C@@H]1CSC(Nc2ccc(OC)cc2)=[NH+]1 ZINC000004697641 171114540 /nfs/dbraw/zinc/11/45/40/171114540.db2.gz UVFSATDTIMWDEQ-SECBINFHSA-N 1 2 236.340 2.989 50 0 BFAALO CC[C@H](C)Cn1c2ccccc2[nH+]c1CCO ZINC000008786052 171300749 /nfs/dbraw/zinc/30/07/49/171300749.db2.gz OOJUWOLZPKRRCN-NSHDSACASA-N 1 2 232.327 2.617 50 0 BFAALO CCc1nc([C@H]2CCC[N@@H+]2CC=C(C)C)no1 ZINC000072279336 172006821 /nfs/dbraw/zinc/00/68/21/172006821.db2.gz IELPDQFMEYXAMC-LLVKDONJSA-N 1 2 235.331 2.735 50 0 BFAALO CCc1nc([C@H]2CCC[N@H+]2CC=C(C)C)no1 ZINC000072279336 172006823 /nfs/dbraw/zinc/00/68/23/172006823.db2.gz IELPDQFMEYXAMC-LLVKDONJSA-N 1 2 235.331 2.735 50 0 BFAALO COCCSCc1cn2c(cccc2C)[nH+]1 ZINC000095404311 174376461 /nfs/dbraw/zinc/37/64/61/174376461.db2.gz NMZXKARWJBIMOF-UHFFFAOYSA-N 1 2 236.340 2.522 50 0 BFAALO COCCn1cc[nH+]c1-c1cc(C)c(O)c(C)c1 ZINC000067841218 174431395 /nfs/dbraw/zinc/43/13/95/174431395.db2.gz VMYKKUQPGQNYCU-UHFFFAOYSA-N 1 2 246.310 2.519 50 0 BFAALO COc1cccc(OC2C[NH+](CC=C(C)C)C2)c1 ZINC000072153923 175282803 /nfs/dbraw/zinc/28/28/03/175282803.db2.gz PPOWZPUOSRGXLS-UHFFFAOYSA-N 1 2 247.338 2.724 50 0 BFAALO COc1ccccc1OC/C=C/Cn1cc[nH+]c1 ZINC000016624006 175340639 /nfs/dbraw/zinc/34/06/39/175340639.db2.gz KHKWNCOFQJUJDT-SNAWJCMRSA-N 1 2 244.294 2.527 50 0 BFAALO C[C@@H]1C[NH+](Cc2ccccc2Cl)C[C@@H](C)O1 ZINC000019607241 176307520 /nfs/dbraw/zinc/30/75/20/176307520.db2.gz WIZYVZWLXIGLSO-GHMZBOCLSA-N 1 2 239.746 2.949 50 0 BFAALO C[C@H](CCc1cccn1C)Nc1cccc[nH+]1 ZINC000078423489 176641236 /nfs/dbraw/zinc/64/12/36/176641236.db2.gz PBCJZTIZFGGTTH-GFCCVEGCSA-N 1 2 229.327 2.853 50 0 BFAALO C[C@H]1CCCC[N@@H+]1CC(=O)c1ccccc1F ZINC000003306793 177074876 /nfs/dbraw/zinc/07/48/76/177074876.db2.gz LBWBSVPWFFGJEC-NSHDSACASA-N 1 2 235.302 2.883 50 0 BFAALO C[C@H]1CCCC[N@H+]1CC(=O)c1ccccc1F ZINC000003306793 177074879 /nfs/dbraw/zinc/07/48/79/177074879.db2.gz LBWBSVPWFFGJEC-NSHDSACASA-N 1 2 235.302 2.883 50 0 BFAALO OCCCCCSc1[nH+]cc2ccccn21 ZINC000072058046 527536150 /nfs/dbraw/zinc/53/61/50/527536150.db2.gz SQLCXZSFYMDOPX-UHFFFAOYSA-N 1 2 236.340 2.589 50 0 BFAALO CC1(C)C[NH2+]C=C(c2ccccc2)CC1=O ZINC000001512858 642821845 /nfs/dbraw/zinc/82/18/45/642821845.db2.gz KEPWWVMOGLFIPK-UHFFFAOYSA-N 1 2 215.296 2.616 50 0 BFAALO Cc1cc(C)n(C2C[NH+](Cc3ccsc3)C2)n1 ZINC000097522739 177922228 /nfs/dbraw/zinc/92/22/28/177922228.db2.gz FMUVPZKEVRHWRY-UHFFFAOYSA-N 1 2 247.367 2.618 50 0 BFAALO Cc1cc(Cl)nc([C@@H]2CCCC[N@H+]2C)n1 ZINC000072343830 178073369 /nfs/dbraw/zinc/07/33/69/178073369.db2.gz WBTVNMZPILFKRX-VIFPVBQESA-N 1 2 225.723 2.595 50 0 BFAALO Cc1cc(Cl)nc([C@@H]2CCCC[N@@H+]2C)n1 ZINC000072343830 178073373 /nfs/dbraw/zinc/07/33/73/178073373.db2.gz WBTVNMZPILFKRX-VIFPVBQESA-N 1 2 225.723 2.595 50 0 BFAALO Cc1cccc(NC2=[NH+]C[C@@H](C)S2)c1 ZINC000000134999 342676421 /nfs/dbraw/zinc/67/64/21/342676421.db2.gz NBNOKMADYAZRNP-SECBINFHSA-N 1 2 206.314 2.898 50 0 BFAALO CCCc1nc(C[NH+]2CCSCC2)cs1 ZINC000047993548 342712346 /nfs/dbraw/zinc/71/23/46/342712346.db2.gz IEPIPDMDXYZAIG-UHFFFAOYSA-N 1 2 242.413 2.644 50 0 BFAALO Fc1ccc(CNc2cccc[nH+]2)cc1 ZINC000004501579 342748318 /nfs/dbraw/zinc/74/83/18/342748318.db2.gz PZILXGBGUICZBR-UHFFFAOYSA-N 1 2 202.232 2.833 50 0 BFAALO Cc1c[nH+]ccc1NC(=O)c1cccs1 ZINC000004740978 342751362 /nfs/dbraw/zinc/75/13/62/342751362.db2.gz FSOZFNZCNXKUIT-UHFFFAOYSA-N 1 2 218.281 2.704 50 0 BFAALO CC[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000019903475 342962425 /nfs/dbraw/zinc/96/24/25/342962425.db2.gz QGOHFKDBVLSCRH-SECBINFHSA-N 1 2 209.289 2.914 50 0 BFAALO Nc1ccc2c(c1)[nH+]c(CO)n2C1CCCCC1 ZINC000019894366 342961744 /nfs/dbraw/zinc/96/17/44/342961744.db2.gz LNXBDHBMFQHJCU-UHFFFAOYSA-N 1 2 245.326 2.616 50 0 BFAALO CCCn1cc[nH+]c1-c1cccc(N)c1 ZINC000037471398 343346283 /nfs/dbraw/zinc/34/62/83/343346283.db2.gz BHTVWAQWMJILRC-UHFFFAOYSA-N 1 2 201.273 2.542 50 0 BFAALO Cc1ccc(C)c(NC(=O)CCn2cc[nH+]c2)c1 ZINC000021916661 343778186 /nfs/dbraw/zinc/77/81/86/343778186.db2.gz CSMXEMJETUDFJF-UHFFFAOYSA-N 1 2 243.310 2.529 50 0 BFAALO CCCCSc1ncc(-c2[nH]cc[nH+]2)cn1 ZINC000067820051 343905998 /nfs/dbraw/zinc/90/59/98/343905998.db2.gz RIFRRINYVORYSW-UHFFFAOYSA-N 1 2 234.328 2.759 50 0 BFAALO Cc1ccc(O)c(CCc2ccc(O)cc2)[nH+]1 ZINC000000186296 345437333 /nfs/dbraw/zinc/43/73/33/345437333.db2.gz OQSFPJGKCRSQOW-UHFFFAOYSA-N 1 2 229.279 2.586 50 0 biogenic BFAALO c1csc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000095994702 345686919 /nfs/dbraw/zinc/68/69/19/345686919.db2.gz BGHNURZVSPHZHT-LLVKDONJSA-N 1 2 245.351 2.922 50 0 BFAALO Cc1c/c(=[NH+]/c2ccccc2)n2ccsc2n1 ZINC000008804394 346236843 /nfs/dbraw/zinc/23/68/43/346236843.db2.gz BBPBQRNTVWLARS-QINSGFPZSA-N 1 2 241.319 2.937 50 0 BFAALO CCc1ccc(C2=CN3CC[NH+]=C3S2)cc1 ZINC000002597980 346514297 /nfs/dbraw/zinc/51/42/97/346514297.db2.gz GMWASIUCNTWDPA-UHFFFAOYSA-N 1 2 230.336 2.966 50 0 BFAALO Cc1[nH]ncc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000036901609 187392190 /nfs/dbraw/zinc/39/21/90/187392190.db2.gz NLLDNUJOZCHGSW-OAHLLOKOSA-N 1 2 241.338 2.885 50 0 BFAALO Cc1nc2[nH]ccc2c(N2C[C@@H]3CCC[C@H]3C2)[nH+]1 ZINC000095410681 180003225 /nfs/dbraw/zinc/00/32/25/180003225.db2.gz PBKBQCDTJLFGIC-QWRGUYRKSA-N 1 2 242.326 2.503 50 0 BFAALO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2)no1 ZINC000075573190 180045451 /nfs/dbraw/zinc/04/54/51/180045451.db2.gz SJRPQICGKXUZJZ-ZDUSSCGKSA-N 1 2 243.310 2.715 50 0 BFAALO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2)no1 ZINC000075573190 180045453 /nfs/dbraw/zinc/04/54/53/180045453.db2.gz SJRPQICGKXUZJZ-ZDUSSCGKSA-N 1 2 243.310 2.715 50 0 BFAALO Cc1nc(N[C@@H]2CCOC3(CCCC3)C2)cc[nH+]1 ZINC000097228574 180202765 /nfs/dbraw/zinc/20/27/65/180202765.db2.gz DBYJKXFCFNKKRB-GFCCVEGCSA-N 1 2 247.342 2.689 50 0 BFAALO Cc1nn(C(C)C)cc1-c1ccc(N(C)C)[nH+]c1 ZINC000426503247 191093389 /nfs/dbraw/zinc/09/33/89/191093389.db2.gz IXNNOFSPLFQRDB-UHFFFAOYSA-N 1 2 244.342 2.900 50 0 BFAALO Clc1cc(NCc2[nH]cc[nH+]2)nc2[nH]ccc21 ZINC000072143220 180576411 /nfs/dbraw/zinc/57/64/11/180576411.db2.gz HRAGVWRUDWUKRX-UHFFFAOYSA-N 1 2 247.689 2.552 50 0 BFAALO Clc1c(C[NH+]2CCCCC2)nc2ccccn12 ZINC000001257011 353113274 /nfs/dbraw/zinc/11/32/74/353113274.db2.gz CGXVAROIVPDXAX-UHFFFAOYSA-N 1 2 249.745 2.974 50 0 BFAALO Cc1nc(N2CCCCCCC2)cc[nH+]1 ZINC000097009492 188149168 /nfs/dbraw/zinc/14/91/68/188149168.db2.gz ZBABVDQCWDIOID-UHFFFAOYSA-N 1 2 205.305 2.556 50 0 BFAALO c1cn(CC2CCC2)c(-c2cccnc2)[nH+]1 ZINC000096009635 538613572 /nfs/dbraw/zinc/61/35/72/538613572.db2.gz RIHLGORYHYSBTR-UHFFFAOYSA-N 1 2 213.284 2.745 50 0 BFAALO Fc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000095967405 360341299 /nfs/dbraw/zinc/34/12/99/360341299.db2.gz DTIUGVKKTSVUKO-CYBMUJFWSA-N 1 2 245.301 2.716 50 0 BFAALO Nc1ccc(-c2cccc(-c3cc[nH]n3)c2)c[nH+]1 ZINC000020560621 371297185 /nfs/dbraw/zinc/29/71/85/371297185.db2.gz PMABBNJZOURNFM-UHFFFAOYSA-N 1 2 236.278 2.721 50 0 BFAALO CCCCN(CCCC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000328599253 168804859 /nfs/dbraw/zinc/80/48/59/168804859.db2.gz QXIVXVLXBOZEJC-BQYQJAHWSA-N 1 2 249.358 2.852 50 0 BFAALO CCCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000003833030 372075330 /nfs/dbraw/zinc/07/53/30/372075330.db2.gz QMVKQJKVSRTURI-UHFFFAOYSA-N 1 2 244.294 2.829 50 0 BFAALO CCCCn1c2ccccc2[nH+]c1CCCO ZINC000002279930 169034082 /nfs/dbraw/zinc/03/40/82/169034082.db2.gz RGWOPEVAGWCRTP-UHFFFAOYSA-N 1 2 232.327 2.761 50 0 BFAALO c1cn(Cc2ccc(-c3ccncc3)cc2)c[nH+]1 ZINC000096130958 183329365 /nfs/dbraw/zinc/32/93/65/183329365.db2.gz HQIKKOOZOQBJGD-UHFFFAOYSA-N 1 2 235.290 2.993 50 0 BFAALO S=C(NCc1ccccc1)Nc1cc[nH+]cc1 ZINC000013837252 183311755 /nfs/dbraw/zinc/31/17/55/183311755.db2.gz PCUDQZBJNIWVQM-UHFFFAOYSA-N 1 2 243.335 2.568 50 0 BFAALO CCCOc1cc(F)ccc1NCc1[nH]cc[nH+]1 ZINC000084756802 169315867 /nfs/dbraw/zinc/31/58/67/169315867.db2.gz IZGGTSLDWGKUDX-UHFFFAOYSA-N 1 2 249.289 2.950 50 0 BFAALO C[C@H](c1cccnc1)[N@H+](C)Cc1cncs1 ZINC000097375244 384178674 /nfs/dbraw/zinc/17/86/74/384178674.db2.gz WJCJDEYMTZIJFA-SNVBAGLBSA-N 1 2 233.340 2.731 50 0 BFAALO C[C@H](c1cccnc1)[N@@H+](C)Cc1cncs1 ZINC000097375244 384178678 /nfs/dbraw/zinc/17/86/78/384178678.db2.gz WJCJDEYMTZIJFA-SNVBAGLBSA-N 1 2 233.340 2.731 50 0 BFAALO Cc1ccc2c(c1)c1c3n2CCN([NH3+])[C@@H]3CCC1 ZINC000096190211 384441862 /nfs/dbraw/zinc/44/18/62/384441862.db2.gz KAEOXDBIFMYBBG-CQSZACIVSA-N 1 2 241.338 2.516 50 0 BFAALO C[C@@]1(Cn2cc[nH+]c2-c2ccncc2)CCCO1 ZINC000082156553 384648321 /nfs/dbraw/zinc/64/83/21/384648321.db2.gz KOVCADIYXLAUDH-AWEZNQCLSA-N 1 2 243.310 2.514 50 0 BFAALO Cc1ccc(Cl)c(NCc2[nH]cc[nH+]2)c1 ZINC000083351652 384761884 /nfs/dbraw/zinc/76/18/84/384761884.db2.gz DDJDTMIARYIKRF-UHFFFAOYSA-N 1 2 221.691 2.984 50 0 BFAALO CO[C@@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000096429144 385165155 /nfs/dbraw/zinc/16/51/55/385165155.db2.gz SIQHQNNMRSAZPA-ZDUSSCGKSA-N 1 2 228.295 2.881 50 0 BFAALO CO[C@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000096429145 385165980 /nfs/dbraw/zinc/16/59/80/385165980.db2.gz SIQHQNNMRSAZPA-CYBMUJFWSA-N 1 2 228.295 2.881 50 0 BFAALO Nc1ccc(-c2ccc(-n3cccn3)cc2)c[nH+]1 ZINC000065395986 385303189 /nfs/dbraw/zinc/30/31/89/385303189.db2.gz XJJREEKCRMLNBV-UHFFFAOYSA-N 1 2 236.278 2.517 50 0 BFAALO CC(C)c1[nH+]ccn1[C@@H](C)c1nnc(C2CC2)[nH]1 ZINC000065463878 385315870 /nfs/dbraw/zinc/31/58/70/385315870.db2.gz YUBDZGHVCBFIIC-VIFPVBQESA-N 1 2 245.330 2.611 50 0 BFAALO CC[C@@H](C)n1[nH]c(=O)c2c1[nH+]c(C)cc2C ZINC000004416006 385576281 /nfs/dbraw/zinc/57/62/81/385576281.db2.gz BBGUJTVOVKTZKP-SECBINFHSA-N 1 2 219.288 2.725 50 0 BFAALO CCCc1ccc(C[N@H+](C)Cc2cnn(C)c2)o1 ZINC000215950215 385853913 /nfs/dbraw/zinc/85/39/13/385853913.db2.gz GEQKBJNWKLFKAE-UHFFFAOYSA-N 1 2 247.342 2.598 50 0 BFAALO CCCc1ccc(C[N@@H+](C)Cc2cnn(C)c2)o1 ZINC000215950215 385853917 /nfs/dbraw/zinc/85/39/17/385853917.db2.gz GEQKBJNWKLFKAE-UHFFFAOYSA-N 1 2 247.342 2.598 50 0 BFAALO c1ccc(N2CC[C@@H]3CCCC[C@H]32)[nH+]c1 ZINC000225261548 386180646 /nfs/dbraw/zinc/18/06/46/386180646.db2.gz ZCFZTNRSWIDGOO-NWDGAFQWSA-N 1 2 202.301 2.851 50 0 BFAALO Cc1cc(C)c(C[NH2+]CC(F)F)c(C)c1 ZINC000147392356 177861136 /nfs/dbraw/zinc/86/11/36/177861136.db2.gz WSNARGXVCDDHPL-UHFFFAOYSA-N 1 2 213.271 2.967 50 0 BFAALO Cc1noc(C[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000055970955 388345033 /nfs/dbraw/zinc/34/50/33/388345033.db2.gz RPFXPLDFFQJFPQ-UHFFFAOYSA-N 1 2 243.310 2.543 50 0 BFAALO Cc1noc(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC000055970955 388345034 /nfs/dbraw/zinc/34/50/34/388345034.db2.gz RPFXPLDFFQJFPQ-UHFFFAOYSA-N 1 2 243.310 2.543 50 0 BFAALO Nc1[nH+]cnc(NC2CCCCCC2)c1Cl ZINC000227840986 388372352 /nfs/dbraw/zinc/37/23/52/388372352.db2.gz IWYUOLYZMAQHCY-UHFFFAOYSA-N 1 2 240.738 2.847 50 0 BFAALO Nc1nc[nH+]c(NC2CCCCCC2)c1Cl ZINC000227840986 388372354 /nfs/dbraw/zinc/37/23/54/388372354.db2.gz IWYUOLYZMAQHCY-UHFFFAOYSA-N 1 2 240.738 2.847 50 0 BFAALO CC(C)c1cc(NCCCO)nc(C(C)C)[nH+]1 ZINC000090065263 388386386 /nfs/dbraw/zinc/38/63/86/388386386.db2.gz JBUNEGFVKCNGSL-UHFFFAOYSA-N 1 2 237.347 2.518 50 0 BFAALO CCOc1cc(NCc2[nH]cc[nH+]2)ccc1C ZINC000095429033 388770230 /nfs/dbraw/zinc/77/02/30/388770230.db2.gz GSBLTVKPYIZHIB-UHFFFAOYSA-N 1 2 231.299 2.729 50 0 BFAALO Cc1csc(C[N@@H+](C)CCOCC(C)C)n1 ZINC000252490184 388862749 /nfs/dbraw/zinc/86/27/49/388862749.db2.gz KLHFPJPXVRBBQF-UHFFFAOYSA-N 1 2 242.388 2.556 50 0 BFAALO Cc1csc(C[N@H+](C)CCOCC(C)C)n1 ZINC000252490184 388862752 /nfs/dbraw/zinc/86/27/52/388862752.db2.gz KLHFPJPXVRBBQF-UHFFFAOYSA-N 1 2 242.388 2.556 50 0 BFAALO C[C@]12CCN(c3cccc[nH+]3)C[C@H]1C2(F)F ZINC000291993518 132218586 /nfs/dbraw/zinc/21/85/86/132218586.db2.gz QRMCIJSYZKQQFU-KOLCDFICSA-N 1 2 224.254 2.563 50 0 BFAALO c1ccc(N2CCOC3(CCCCC3)C2)[nH+]c1 ZINC000301419017 132253722 /nfs/dbraw/zinc/25/37/22/132253722.db2.gz BLCKNDWEECZSCU-UHFFFAOYSA-N 1 2 232.327 2.621 50 0 BFAALO Cc1cc(C)c(OCCn2cc[nH+]c2)c(C)c1 ZINC000000433429 397914682 /nfs/dbraw/zinc/91/46/82/397914682.db2.gz ZKXCMIQDIDVXPD-UHFFFAOYSA-N 1 2 230.311 2.887 50 0 BFAALO Nc1cc2[nH+]cccc2c(C(F)(F)F)c1 ZINC000095802891 397982814 /nfs/dbraw/zinc/98/28/14/397982814.db2.gz DTOADGCDFRAFIE-UHFFFAOYSA-N 1 2 212.174 2.836 50 0 BFAALO FC1=CCC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000585094314 487578382 /nfs/dbraw/zinc/57/83/82/487578382.db2.gz ITAJJLQSWOBCIS-UHFFFAOYSA-N 1 2 243.285 2.689 50 0 BFAALO FC1=CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000585094314 487578385 /nfs/dbraw/zinc/57/83/85/487578385.db2.gz ITAJJLQSWOBCIS-UHFFFAOYSA-N 1 2 243.285 2.689 50 0 BFAALO CC(C)Oc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000004810572 167297801 /nfs/dbraw/zinc/29/78/01/167297801.db2.gz OWVPHBAVRCPFHC-UHFFFAOYSA-N 1 2 246.310 2.749 50 0 BFAALO CC(C)SCc1cc[nH+]c(N(C)C)c1 ZINC000127449837 167335950 /nfs/dbraw/zinc/33/59/50/167335950.db2.gz YRULHQFKVWJIEM-UHFFFAOYSA-N 1 2 210.346 2.789 50 0 BFAALO CCc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000006343525 171864712 /nfs/dbraw/zinc/86/47/12/171864712.db2.gz BYKIMFCYYYKRPG-UHFFFAOYSA-N 1 2 230.311 2.915 50 0 BFAALO CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000089651125 173310288 /nfs/dbraw/zinc/31/02/88/173310288.db2.gz MBVJSTNSOXALRL-UHFFFAOYSA-N 1 2 242.278 2.542 50 0 BFAALO COc1c(C)c[nH+]c(CSc2ncc[nH]2)c1C ZINC000079005042 174927490 /nfs/dbraw/zinc/92/74/90/174927490.db2.gz PWCXBZWWHZEXGQ-UHFFFAOYSA-N 1 2 249.339 2.722 50 0 BFAALO COc1cc2c(cc1OC)CC1(CCCC1)[NH+]=C2 ZINC000000322075 175024670 /nfs/dbraw/zinc/02/46/70/175024670.db2.gz HKUAIVBFYAEDRF-UHFFFAOYSA-N 1 2 245.322 2.992 50 0 biogenic BFAALO COc1ccc(-c2cn3c([nH+]2)CCC3)cc1 ZINC000000493005 175036122 /nfs/dbraw/zinc/03/61/22/175036122.db2.gz WOYRQBRHXBCHHZ-UHFFFAOYSA-N 1 2 214.268 2.505 50 0 BFAALO COc1ccc(-n2cccc2-c2[nH]cc[nH+]2)cc1 ZINC000067789121 175043728 /nfs/dbraw/zinc/04/37/28/175043728.db2.gz XOGVEZSNMKJXPK-UHFFFAOYSA-N 1 2 239.278 2.876 50 0 BFAALO COc1ccc(CCCn2cc[nH+]c2)c(OC)c1 ZINC000091492979 175090034 /nfs/dbraw/zinc/09/00/34/175090034.db2.gz OALDOAFXKTYNFN-UHFFFAOYSA-N 1 2 246.310 2.533 50 0 BFAALO COc1ccc(CCNc2cccc[nH+]2)cc1 ZINC000020016290 175092948 /nfs/dbraw/zinc/09/29/48/175092948.db2.gz DBPITLNFQYDSIF-UHFFFAOYSA-N 1 2 228.295 2.745 50 0 BFAALO C[C@@H](Oc1ccc[nH+]c1N)c1ccccc1 ZINC000039279579 176006398 /nfs/dbraw/zinc/00/63/98/176006398.db2.gz PPDXZQYCEONNNJ-SNVBAGLBSA-N 1 2 214.268 2.804 50 0 BFAALO C[C@@H](c1ccccn1)[N@H+](C)Cc1cncs1 ZINC000097058757 176026246 /nfs/dbraw/zinc/02/62/46/176026246.db2.gz FZUHMAYEVUJOKB-JTQLQIEISA-N 1 2 233.340 2.731 50 0 BFAALO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cncs1 ZINC000097058757 176026247 /nfs/dbraw/zinc/02/62/47/176026247.db2.gz FZUHMAYEVUJOKB-JTQLQIEISA-N 1 2 233.340 2.731 50 0 BFAALO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000023114702 177263200 /nfs/dbraw/zinc/26/32/00/177263200.db2.gz CVNSXCFVYUQSAW-AOOOYVTPSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000023114702 177263202 /nfs/dbraw/zinc/26/32/02/177263202.db2.gz CVNSXCFVYUQSAW-AOOOYVTPSA-N 1 2 241.281 2.574 50 0 BFAALO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000045784350 177264378 /nfs/dbraw/zinc/26/43/78/177264378.db2.gz UEEJOQPFVHHBPB-MNOVXSKESA-N 1 2 239.746 2.949 50 0 BFAALO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1 ZINC000045784350 177264380 /nfs/dbraw/zinc/26/43/80/177264380.db2.gz UEEJOQPFVHHBPB-MNOVXSKESA-N 1 2 239.746 2.949 50 0 BFAALO C[C@H]1C[NH+]=C(Nc2cccc(F)c2)S1 ZINC000000086372 177282237 /nfs/dbraw/zinc/28/22/37/177282237.db2.gz HACQCQBZFCWXOT-ZETCQYMHSA-N 1 2 210.277 2.729 50 0 BFAALO C[C@H]1C[C@H](C)C[NH+](Cc2nnsc2Cl)C1 ZINC000035164950 177358121 /nfs/dbraw/zinc/35/81/21/177358121.db2.gz SFUIILRXKBXIQJ-YUMQZZPRSA-N 1 2 245.779 2.669 50 0 BFAALO FC(F)(F)CC[N@H+](Cc1ccon1)C1CCC1 ZINC000084618114 488072419 /nfs/dbraw/zinc/07/24/19/488072419.db2.gz CCXXXSRZLMAVSV-UHFFFAOYSA-N 1 2 248.248 2.982 50 0 BFAALO FC(F)(F)CC[N@@H+](Cc1ccon1)C1CCC1 ZINC000084618114 488072423 /nfs/dbraw/zinc/07/24/23/488072423.db2.gz CCXXXSRZLMAVSV-UHFFFAOYSA-N 1 2 248.248 2.982 50 0 BFAALO C[C@H](c1nc(-c2ccccc2)no1)n1cc[nH+]c1 ZINC000071778951 487588342 /nfs/dbraw/zinc/58/83/42/487588342.db2.gz WBUQQHHCNJKQPS-SNVBAGLBSA-N 1 2 240.266 2.542 50 0 BFAALO Cc1cccn2cc(-c3ccccc3N)[nH+]c12 ZINC000258159077 525470258 /nfs/dbraw/zinc/47/02/58/525470258.db2.gz DPBLHPUFTCYWHT-UHFFFAOYSA-N 1 2 223.279 2.892 50 0 BFAALO Cc1ccc2cc(C)c(N3CCOCC3)[nH+]c2c1 ZINC000004997197 635181147 /nfs/dbraw/zinc/18/11/47/635181147.db2.gz PSELKCSXCRNZGZ-UHFFFAOYSA-N 1 2 242.322 2.688 50 0 BFAALO CC(C)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019770552 643043603 /nfs/dbraw/zinc/04/36/03/643043603.db2.gz WLMZTZLKKJPZHN-UHFFFAOYSA-N 1 2 249.354 2.521 50 0 BFAALO Cc1cc(NC(=O)Nc2ccc(O)cc2)cc[nH+]1 ZINC000186630841 178142753 /nfs/dbraw/zinc/14/27/53/178142753.db2.gz PBKKXNXUADJBEA-UHFFFAOYSA-N 1 2 243.266 2.740 50 0 BFAALO Cc1cc(NC(=O)c2c(F)cccc2F)cc[nH+]1 ZINC000079001757 178148718 /nfs/dbraw/zinc/14/87/18/178148718.db2.gz QXIVQIAIBAPIID-UHFFFAOYSA-N 1 2 248.232 2.921 50 0 BFAALO Nc1ccc2[nH]c(-c3ccc4[nH]cnc4c3)[nH+]c2c1 ZINC000004992701 342755914 /nfs/dbraw/zinc/75/59/14/342755914.db2.gz YHHKGFJFZFCHMW-UHFFFAOYSA-N 1 2 249.277 2.688 50 0 BFAALO Cc1ccc([NH+]2CCCCCC2)c(N)c1 ZINC000008702591 342802713 /nfs/dbraw/zinc/80/27/13/342802713.db2.gz GSLPCAGRAZIKRY-UHFFFAOYSA-N 1 2 204.317 2.958 50 0 BFAALO Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1 ZINC000020980499 343001035 /nfs/dbraw/zinc/00/10/35/343001035.db2.gz FWEZTFXDAVPZNY-UHFFFAOYSA-N 1 2 237.306 2.930 50 0 BFAALO CCOc1cccc(-c2cccc(N)[nH+]2)c1 ZINC000032553327 343237651 /nfs/dbraw/zinc/23/76/51/343237651.db2.gz FUBIYHHIXAOQPJ-UHFFFAOYSA-N 1 2 214.268 2.730 50 0 BFAALO Oc1cccc2c1CC[C@H]2Nc1cccc[nH+]1 ZINC000091485170 345595026 /nfs/dbraw/zinc/59/50/26/345595026.db2.gz RBLMMPLFJYILGE-GFCCVEGCSA-N 1 2 226.279 2.887 50 0 BFAALO CCN1c2cc(F)ccc2C[C@H]1c1[nH]cc[nH+]1 ZINC000685944343 537933684 /nfs/dbraw/zinc/93/36/84/537933684.db2.gz IWLIKZLTJQBGPW-LBPRGKRZSA-N 1 2 231.274 2.673 50 0 BFAALO Cc1ccccc1-n1c[nH+]c2cc(N)ccc21 ZINC000052842540 179242574 /nfs/dbraw/zinc/24/25/74/179242574.db2.gz BHWCOKDEIGALOH-UHFFFAOYSA-N 1 2 223.279 2.916 50 0 BFAALO Cc1cc(C)cc(OCCCn2cc[nH+]c2)c1 ZINC000005285854 348723717 /nfs/dbraw/zinc/72/37/17/348723717.db2.gz WXRZRIJFWCONEW-UHFFFAOYSA-N 1 2 230.311 2.969 50 0 BFAALO Cc1nc(SCCCn2cc[nH+]c2)oc1C ZINC000097114226 180031820 /nfs/dbraw/zinc/03/18/20/180031820.db2.gz WZKYCDJEOSJGLH-UHFFFAOYSA-N 1 2 237.328 2.670 50 0 BFAALO Cc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000000751999 180075471 /nfs/dbraw/zinc/07/54/71/180075471.db2.gz FHDFUQGJYYGLHJ-UHFFFAOYSA-N 1 2 211.062 2.634 50 0 BFAALO Cc1[nH]c2cc(Br)ccc2[nH+]1 ZINC000000751999 180075473 /nfs/dbraw/zinc/07/54/73/180075473.db2.gz FHDFUQGJYYGLHJ-UHFFFAOYSA-N 1 2 211.062 2.634 50 0 BFAALO Cc1nc(NCCCOC2CCCC2)cc[nH+]1 ZINC000266398778 180197677 /nfs/dbraw/zinc/19/76/77/180197677.db2.gz PAVUFKULFRUGLL-UHFFFAOYSA-N 1 2 235.331 2.546 50 0 BFAALO CCc1ccc(OCC[N@@H+]2COC(C)(C)C2)cc1 ZINC000020445259 188108535 /nfs/dbraw/zinc/10/85/35/188108535.db2.gz DTHYJSSGZFQCDI-UHFFFAOYSA-N 1 2 249.354 2.696 50 0 BFAALO CCc1ccc(OCC[N@H+]2COC(C)(C)C2)cc1 ZINC000020445259 188108536 /nfs/dbraw/zinc/10/85/36/188108536.db2.gz DTHYJSSGZFQCDI-UHFFFAOYSA-N 1 2 249.354 2.696 50 0 BFAALO C[C@@H](CC(=O)OCc1ccccc1)n1cc[nH+]c1 ZINC000006651049 360546196 /nfs/dbraw/zinc/54/61/96/360546196.db2.gz MKAAOJVROHERPX-LBPRGKRZSA-N 1 2 244.294 2.578 50 0 BFAALO OCCCc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000026462067 183065122 /nfs/dbraw/zinc/06/51/22/183065122.db2.gz JWXBWRZLAGOIBU-UHFFFAOYSA-N 1 2 245.109 2.795 50 0 BFAALO O[C@@H](Cc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000024060102 183185058 /nfs/dbraw/zinc/18/50/58/183185058.db2.gz VVNWMABUIGWULI-NSHDSACASA-N 1 2 244.319 2.901 50 0 BFAALO O[C@H]1CCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000195575369 183237118 /nfs/dbraw/zinc/23/71/18/183237118.db2.gz IQAYUXVPACNULT-STQMWFEESA-N 1 2 228.295 2.560 50 0 BFAALO c1ccc(C2=[NH+]CCN3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000023243461 183389597 /nfs/dbraw/zinc/38/95/97/183389597.db2.gz QVPANXFAXRPUEK-YGYNJSFOSA-N 1 2 248.329 2.915 50 0 BFAALO CCCOc1ccc(C=O)cc1Cn1cc[nH+]c1 ZINC000006659905 169317767 /nfs/dbraw/zinc/31/77/67/169317767.db2.gz JUPHOORCJSVMHL-UHFFFAOYSA-N 1 2 244.294 2.533 50 0 BFAALO CCOc1ccc(-c2c[nH]c[nH+]2)cc1OCC ZINC000067714440 383939298 /nfs/dbraw/zinc/93/92/98/383939298.db2.gz YBNASGZAQMOTRU-UHFFFAOYSA-N 1 2 232.283 2.874 50 0 BFAALO CC[C@H](c1ccccn1)[N@H+](C)Cc1coc(C)n1 ZINC000067774815 383945658 /nfs/dbraw/zinc/94/56/58/383945658.db2.gz NCWDSCIQYDXUOF-CQSZACIVSA-N 1 2 245.326 2.961 50 0 BFAALO CC[C@H](c1ccccn1)[N@@H+](C)Cc1coc(C)n1 ZINC000067774815 383945663 /nfs/dbraw/zinc/94/56/63/383945663.db2.gz NCWDSCIQYDXUOF-CQSZACIVSA-N 1 2 245.326 2.961 50 0 BFAALO CC(C)(C)c1[nH+]ccn1-c1ccc2c(c1)OCO2 ZINC000067804001 383950373 /nfs/dbraw/zinc/95/03/73/383950373.db2.gz AYYJQPHLGQMHCC-UHFFFAOYSA-N 1 2 244.294 2.899 50 0 BFAALO CC1(C)Cc2[nH+]c3ccccc3c(N)c2C(=O)C1 ZINC000002468749 383966632 /nfs/dbraw/zinc/96/66/32/383966632.db2.gz RFXDMILSJZCTDQ-UHFFFAOYSA-N 1 2 240.306 2.972 50 0 biogenic BFAALO c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000071899573 384043817 /nfs/dbraw/zinc/04/38/17/384043817.db2.gz CBRUBVMDRAGESN-CQSZACIVSA-N 1 2 239.322 2.772 50 0 BFAALO C[NH+](C)CSc1ccc(Cl)cc1 ZINC000071773114 384178710 /nfs/dbraw/zinc/17/87/10/384178710.db2.gz GVTUWJGZDYATNU-UHFFFAOYSA-N 1 2 201.722 2.951 50 0 BFAALO Cc1ccc2c(c1)[C@@H](Nc1cc[nH+]c(C)n1)CO2 ZINC000097016220 384285398 /nfs/dbraw/zinc/28/53/98/384285398.db2.gz RODUULJNTBPAOU-LBPRGKRZSA-N 1 2 241.294 2.639 50 0 BFAALO Fc1cc(C[NH2+]CC(F)F)ccc1Cl ZINC000147328209 384286864 /nfs/dbraw/zinc/28/68/64/384286864.db2.gz HUDJSBPIMLLQOL-UHFFFAOYSA-N 1 2 223.625 2.834 50 0 BFAALO Cn1c[nH+]cc1CSc1nc2ccccc2o1 ZINC000072312925 384411663 /nfs/dbraw/zinc/41/16/63/384411663.db2.gz RONJOTHTUHKRIQ-UHFFFAOYSA-N 1 2 245.307 2.854 50 0 BFAALO CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000078990986 384714637 /nfs/dbraw/zinc/71/46/37/384714637.db2.gz BBUMMKBDAGBSPA-UHFFFAOYSA-N 1 2 204.298 2.735 50 0 BFAALO c1ccc(N2CC[C@H]3CCCC[C@@H]32)[nH+]c1 ZINC000080972548 384733733 /nfs/dbraw/zinc/73/37/33/384733733.db2.gz ZCFZTNRSWIDGOO-NEPJUHHUSA-N 1 2 202.301 2.851 50 0 BFAALO CN(Cc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000061745094 384739754 /nfs/dbraw/zinc/73/97/54/384739754.db2.gz RLWURKBHRBANCA-UHFFFAOYSA-N 1 2 237.306 2.971 50 0 BFAALO Cc1noc([C@H](C)[N@@H+]2CCc3sccc3C2)n1 ZINC000027812874 384916090 /nfs/dbraw/zinc/91/60/90/384916090.db2.gz RVQMCQIGFZHMKE-QMMMGPOBSA-N 1 2 249.339 2.559 50 0 BFAALO Cc1noc([C@H](C)[N@H+]2CCc3sccc3C2)n1 ZINC000027812874 384916097 /nfs/dbraw/zinc/91/60/97/384916097.db2.gz RVQMCQIGFZHMKE-QMMMGPOBSA-N 1 2 249.339 2.559 50 0 BFAALO c1ccc(N[C@@H]2CCOC3(CCCC3)C2)[nH+]c1 ZINC000095425687 384931237 /nfs/dbraw/zinc/93/12/37/384931237.db2.gz RTNRWYITFPQPCJ-GFCCVEGCSA-N 1 2 232.327 2.985 50 0 BFAALO FC(F)(F)c1cc[nH+]c(N2CCSC2)c1 ZINC000169725710 385418395 /nfs/dbraw/zinc/41/83/95/385418395.db2.gz GLLYBQDBKZYZRM-UHFFFAOYSA-N 1 2 234.246 2.611 50 0 BFAALO CCCc1cc(C[N@H+](C)CCCSC)n[nH]1 ZINC000215931230 385853855 /nfs/dbraw/zinc/85/38/55/385853855.db2.gz MQGIHJOCOJGFEJ-UHFFFAOYSA-N 1 2 241.404 2.547 50 0 BFAALO CCCc1cc(C[N@@H+](C)CCCSC)n[nH]1 ZINC000215931230 385853858 /nfs/dbraw/zinc/85/38/58/385853858.db2.gz MQGIHJOCOJGFEJ-UHFFFAOYSA-N 1 2 241.404 2.547 50 0 BFAALO c1cn(Cc2nc3ccccc3s2)c[nH+]1 ZINC000032860169 386318916 /nfs/dbraw/zinc/31/89/16/386318916.db2.gz JMKXEPJZVZBCEY-UHFFFAOYSA-N 1 2 215.281 2.541 50 0 BFAALO CC[C@@H](C)n1c2ccccc2[nH+]c1CCCO ZINC000012949611 386415880 /nfs/dbraw/zinc/41/58/80/386415880.db2.gz QHRSKPBPUWDGHI-LLVKDONJSA-N 1 2 232.327 2.932 50 0 BFAALO Cc1nc(C[N@@H+]2CCc3sccc3C2)co1 ZINC000647956333 386689459 /nfs/dbraw/zinc/68/94/59/386689459.db2.gz JPHAGIYLHXNDIQ-UHFFFAOYSA-N 1 2 234.324 2.603 50 0 BFAALO Cc1nc(C[N@H+]2CCc3sccc3C2)co1 ZINC000647956333 386689466 /nfs/dbraw/zinc/68/94/66/386689466.db2.gz JPHAGIYLHXNDIQ-UHFFFAOYSA-N 1 2 234.324 2.603 50 0 BFAALO CCOc1ccccc1Nc1nc(N)cc(C)[nH+]1 ZINC000075156675 387064040 /nfs/dbraw/zinc/06/40/40/387064040.db2.gz YPJCKPOIWYWPRX-UHFFFAOYSA-N 1 2 244.298 2.510 50 0 BFAALO CCC/C=C/c1ccc(C[NH+]2CCOCC2)cn1 ZINC000426382941 387563326 /nfs/dbraw/zinc/56/33/26/387563326.db2.gz QLBRLIDILNOGEI-SNAWJCMRSA-N 1 2 246.354 2.727 50 0 BFAALO c1ccc2[nH+]c(NC[C@H]3CCOC3)ccc2c1 ZINC000037988127 387570087 /nfs/dbraw/zinc/57/00/87/387570087.db2.gz NVMACIVGTPYXNM-LLVKDONJSA-N 1 2 228.295 2.683 50 0 BFAALO Nc1cc2cc(-c3ccncc3F)ccc2c[nH+]1 ZINC000426518778 387578202 /nfs/dbraw/zinc/57/82/02/387578202.db2.gz LELAKYKWEJGZSX-UHFFFAOYSA-N 1 2 239.253 2.848 50 0 BFAALO CC(C)c1nc(N[C@@H]2CCCC[C@H]2CO)cc[nH+]1 ZINC000170615828 388257897 /nfs/dbraw/zinc/25/78/97/388257897.db2.gz YXTGIFNSLYBOLG-NWDGAFQWSA-N 1 2 249.358 2.563 50 0 BFAALO O=C(CCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000089873052 388369020 /nfs/dbraw/zinc/36/90/20/388369020.db2.gz BWKREZFEUNXBME-UHFFFAOYSA-N 1 2 240.262 2.902 50 0 BFAALO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000042355918 388443612 /nfs/dbraw/zinc/44/36/12/388443612.db2.gz BZMDKGHYLYJOHY-SNVBAGLBSA-N 1 2 249.339 2.777 50 0 BFAALO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000042355918 388443615 /nfs/dbraw/zinc/44/36/15/388443615.db2.gz BZMDKGHYLYJOHY-SNVBAGLBSA-N 1 2 249.339 2.777 50 0 BFAALO c1ccc(NCCNc2cccc[nH+]2)cc1 ZINC000095398952 388766305 /nfs/dbraw/zinc/76/63/05/388766305.db2.gz PXECQVDVECCLCB-UHFFFAOYSA-N 1 2 213.284 2.606 50 0 BFAALO C=Cc1cccc(C[N@H+](C)Cc2nc(C)no2)c1 ZINC000067725746 134398497 /nfs/dbraw/zinc/39/84/97/134398497.db2.gz VWVMVJDNMJWWQK-UHFFFAOYSA-N 1 2 243.310 2.653 50 0 BFAALO C=Cc1cccc(C[N@@H+](C)Cc2nc(C)no2)c1 ZINC000067725746 134398500 /nfs/dbraw/zinc/39/85/00/134398500.db2.gz VWVMVJDNMJWWQK-UHFFFAOYSA-N 1 2 243.310 2.653 50 0 BFAALO Brc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000037974129 166101519 /nfs/dbraw/zinc/10/15/19/166101519.db2.gz NVNCBJALMQWYAO-UHFFFAOYSA-N 1 2 223.073 2.839 50 0 BFAALO CC(C)Oc1ccc(C=O)cc1Cn1cc[nH+]c1 ZINC000013424677 167291782 /nfs/dbraw/zinc/29/17/82/167291782.db2.gz UWMWGLGHZZJUJW-UHFFFAOYSA-N 1 2 244.294 2.531 50 0 BFAALO CC[N@H+](Cc1nnc(C)o1)Cc1cccc(C)c1 ZINC000048044686 411172629 /nfs/dbraw/zinc/17/26/29/411172629.db2.gz DRQREYKDIJHSFT-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO CC[N@@H+](Cc1nnc(C)o1)Cc1cccc(C)c1 ZINC000048044686 411172634 /nfs/dbraw/zinc/17/26/34/411172634.db2.gz DRQREYKDIJHSFT-UHFFFAOYSA-N 1 2 245.326 2.709 50 0 BFAALO CC12CN3CC(C)(C[NH+](C1)C3c1cccs1)C2 ZINC000019324166 168074337 /nfs/dbraw/zinc/07/43/37/168074337.db2.gz AXSULNBQGJAEOG-UHFFFAOYSA-N 1 2 248.395 2.794 50 0 BFAALO CCc1[nH]c2ccc(OC(F)F)cc2[nH+]1 ZINC000014807275 172012613 /nfs/dbraw/zinc/01/26/13/172012613.db2.gz MRUPOZMEBWQYNA-UHFFFAOYSA-N 1 2 212.199 2.727 50 0 BFAALO COc1ccc(-c2[nH+]ccn2C)c2cccnc12 ZINC000096161165 175040424 /nfs/dbraw/zinc/04/04/24/175040424.db2.gz STDJPJRSXUHJNO-UHFFFAOYSA-N 1 2 239.278 2.644 50 0 BFAALO COc1cccc(CNc2c[nH+]ccc2OC)c1 ZINC000095972283 175269111 /nfs/dbraw/zinc/26/91/11/175269111.db2.gz JCNHJEMVHFAZGA-UHFFFAOYSA-N 1 2 244.294 2.711 50 0 BFAALO COc1cc[nH+]cc1NC(=O)CC1CCCC1 ZINC000069350401 175375878 /nfs/dbraw/zinc/37/58/78/175375878.db2.gz FLHOQNBIRUJUBG-UHFFFAOYSA-N 1 2 234.299 2.609 50 0 BFAALO C[C@@H](c1ccccc1Cl)[NH+]1CCOCC1 ZINC000033868090 176025305 /nfs/dbraw/zinc/02/53/05/176025305.db2.gz ZOLWZYIMYQTEKB-JTQLQIEISA-N 1 2 225.719 2.733 50 0 BFAALO C[C@H](c1ccccn1)[N@H+](C)Cc1cncs1 ZINC000097058763 177042316 /nfs/dbraw/zinc/04/23/16/177042316.db2.gz FZUHMAYEVUJOKB-SNVBAGLBSA-N 1 2 233.340 2.731 50 0 BFAALO C[C@H](c1ccccn1)[N@@H+](C)Cc1cncs1 ZINC000097058763 177042317 /nfs/dbraw/zinc/04/23/17/177042317.db2.gz FZUHMAYEVUJOKB-SNVBAGLBSA-N 1 2 233.340 2.731 50 0 BFAALO C[C@H]1CCC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000003306803 177096533 /nfs/dbraw/zinc/09/65/33/177096533.db2.gz NCUQLIHPAJDEAY-NSHDSACASA-N 1 2 235.302 2.740 50 0 BFAALO C[C@H]1CCC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000003306803 177096534 /nfs/dbraw/zinc/09/65/34/177096534.db2.gz NCUQLIHPAJDEAY-NSHDSACASA-N 1 2 235.302 2.740 50 0 BFAALO CC(C)[N@H+](Cc1cscn1)Cc1ccccn1 ZINC000048253426 490176725 /nfs/dbraw/zinc/17/67/25/490176725.db2.gz AGOBAHIKBVSQQF-UHFFFAOYSA-N 1 2 247.367 2.949 50 0 BFAALO CC(C)[N@@H+](Cc1cscn1)Cc1ccccn1 ZINC000048253426 490176728 /nfs/dbraw/zinc/17/67/28/490176728.db2.gz AGOBAHIKBVSQQF-UHFFFAOYSA-N 1 2 247.367 2.949 50 0 BFAALO COC[C@H]([NH2+]Cc1ccc(C)o1)c1ccc(C)o1 ZINC000078975468 522748732 /nfs/dbraw/zinc/74/87/32/522748732.db2.gz PLXVAVXHVDNDLR-ZDUSSCGKSA-N 1 2 249.310 2.967 50 0 BFAALO Cc1csc(CN(C)c2cc[nH+]cc2F)n1 ZINC001506429626 988784931 /nfs/dbraw/zinc/78/49/31/988784931.db2.gz SIPUTSOOOIELHK-UHFFFAOYSA-N 1 2 237.303 2.622 50 0 BFAALO