smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@H]1[NH2+]C[C@@H](OC)N[C@H]1C(C)C 307095533 533485001 /nfs/dbraw/zinc/48/50/01/533485001.db2.gz GLISPOXTYYBTDJ-VGMNWLOBSA-N 1 1 188.271 0.149 10 0 ACAEMO C[C@H](O)C1=C[NH2+][C@H](C)C=C1 306629539 534048541 /nfs/dbraw/zinc/04/85/41/534048541.db2.gz CHOWXYSIWVBRHJ-RQJHMYQMSA-N 1 1 139.198 0.799 10 0 in-vitro ACAEMO C[NH+]1CCN(c2cccnn2)CC1 13470084 536424290 /nfs/dbraw/zinc/42/42/90/536424290.db2.gz IPXCBUSKMHFZIC-UHFFFAOYSA-N 1 1 178.239 0.228 10 0 ACAEMO CN1CCN(c2cc[nH+]cc2)CC1 13470045 536424726 /nfs/dbraw/zinc/42/47/26/536424726.db2.gz NGHHVCGBOOCIBY-UHFFFAOYSA-N 1 1 177.251 0.833 10 0 ACAEMO C#CCN(C)CC(F)(F)C[NH3+] 17668589 537776764 /nfs/dbraw/zinc/77/67/64/537776764.db2.gz AOQGAXYCJNZQPQ-UHFFFAOYSA-N 1 1 162.183 0.145 10 0 ACAEMO C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 18505193 537777353 /nfs/dbraw/zinc/77/73/53/537777353.db2.gz JCMGRYDIKYOOKZ-SFYZADRCSA-N 1 1 141.214 0.727 10 0 ACAEMO CC[C@](C)(O)C[N@@H+](C)CCO 17666198 537777495 /nfs/dbraw/zinc/77/74/95/537777495.db2.gz FPXNEKJKMGLZBJ-QMMMGPOBSA-N 1 1 161.245 0.072 10 0 ACAEMO O=C1NCCC[NH2+][C@H]1CC(F)F 675068133 537777496 /nfs/dbraw/zinc/77/74/96/537777496.db2.gz MXVIEFZRNAILPN-YFKPBYRVSA-N 1 1 178.182 0.120 10 0 ACAEMO O=C1NCCC[NH2+][C@@H]1CC(F)F 675068121 537778011 /nfs/dbraw/zinc/77/80/11/537778011.db2.gz MXVIEFZRNAILPN-RXMQYKEDSA-N 1 1 178.182 0.120 10 0 ACAEMO CC[C@@](C)(O)C[N@@H+](C)CCO 17666197 537779297 /nfs/dbraw/zinc/77/92/97/537779297.db2.gz FPXNEKJKMGLZBJ-MRVPVSSYSA-N 1 1 161.245 0.072 10 0 ACAEMO CCCN(C)CC(F)(F)C[NH3+] 17666295 537779343 /nfs/dbraw/zinc/77/93/43/537779343.db2.gz YDJRWHGGVPEYIE-UHFFFAOYSA-N 1 1 166.215 0.922 10 0 ACAEMO C1C[NH2+]C[C@H](CC2CC2)N1 23313013 537786930 /nfs/dbraw/zinc/78/69/30/537786930.db2.gz KLOKTRQXNCCRJN-QMMMGPOBSA-N 1 1 140.230 0.348 10 0 ACAEMO C1C[NH2+]C[C@@H](CC2CC2)N1 23313016 537787702 /nfs/dbraw/zinc/78/77/02/537787702.db2.gz KLOKTRQXNCCRJN-MRVPVSSYSA-N 1 1 140.230 0.348 10 0 ACAEMO NNc1ccc2c([nH+]1)OC(F)(F)O2 675073283 537788716 /nfs/dbraw/zinc/78/87/16/537788716.db2.gz ILIFGRLSGXSMRB-UHFFFAOYSA-N 1 1 189.121 0.689 10 0 ACAEMO COC(C)(C)C[N@H+](C)CCN 22968838 537788910 /nfs/dbraw/zinc/78/89/10/537788910.db2.gz ADIDXFUVDQDKIL-UHFFFAOYSA-N 1 1 160.261 0.302 10 0 ACAEMO COC(C)(C)C[N@@H+](C)CCN 22968838 537788913 /nfs/dbraw/zinc/78/89/13/537788913.db2.gz ADIDXFUVDQDKIL-UHFFFAOYSA-N 1 1 160.261 0.302 10 0 ACAEMO CCOCC[NH+]1CCOCC1 34489226 537790961 /nfs/dbraw/zinc/79/09/61/537790961.db2.gz HXLHUPIZECLJAP-UHFFFAOYSA-N 1 1 159.229 0.355 10 0 ACAEMO c1nn2c(c1[C@H]1CC[NH2+]C1)CNCC2 675077184 537791759 /nfs/dbraw/zinc/79/17/59/537791759.db2.gz ZTTFEQAZLQFNBO-QMMMGPOBSA-N 1 1 192.266 0.063 10 0 ACAEMO Cc1ncc(C2=C[C@@H](N)C[NH2+]C2)n1C 675076999 537792336 /nfs/dbraw/zinc/79/23/36/537792336.db2.gz IHURIBGXOOLRKK-SECBINFHSA-N 1 1 192.266 0.042 10 0 ACAEMO Cc1ncc(C2=C[C@H](N)C[NH2+]C2)n1C 675077001 537793341 /nfs/dbraw/zinc/79/33/41/537793341.db2.gz IHURIBGXOOLRKK-VIFPVBQESA-N 1 1 192.266 0.042 10 0 ACAEMO CCn1nccc1C1=C[C@H](N)C[NH2+]C1 675076674 537794024 /nfs/dbraw/zinc/79/40/24/537794024.db2.gz FTVHYRKVNOUIKL-VIFPVBQESA-N 1 1 192.266 0.217 10 0 ACAEMO c1nn2c(c1[C@@H]1CC[NH2+]C1)CNCC2 675077183 537794137 /nfs/dbraw/zinc/79/41/37/537794137.db2.gz ZTTFEQAZLQFNBO-MRVPVSSYSA-N 1 1 192.266 0.063 10 0 ACAEMO N[C@@H]1C=C(c2cccnc2)C[NH2+]C1 675076298 537794509 /nfs/dbraw/zinc/79/45/09/537794509.db2.gz APVREWFALASBSF-SNVBAGLBSA-N 1 1 175.235 0.396 10 0 ACAEMO [NH3+]Cc1nc2c(s1)CC(=O)CC2 675077004 537794575 /nfs/dbraw/zinc/79/45/75/537794575.db2.gz VWAIZNDFZLPKPF-UHFFFAOYSA-N 1 1 182.248 0.660 10 0 ACAEMO CCn1nccc1C1=C[C@@H](N)C[NH2+]C1 675076673 537795008 /nfs/dbraw/zinc/79/50/08/537795008.db2.gz FTVHYRKVNOUIKL-SECBINFHSA-N 1 1 192.266 0.217 10 0 ACAEMO [NH3+]C1(c2cnn3c2CNCC3)CCC1 675076590 537795038 /nfs/dbraw/zinc/79/50/38/537795038.db2.gz PGOJHFXJNQIORT-UHFFFAOYSA-N 1 1 192.266 0.324 10 0 ACAEMO N[C@H]1C=C(c2cccnc2)C[NH2+]C1 675076297 537795828 /nfs/dbraw/zinc/79/58/28/537795828.db2.gz APVREWFALASBSF-JTQLQIEISA-N 1 1 175.235 0.396 10 0 ACAEMO N[C@H]1C=C(c2ccoc2)C[NH2+]C1 675077717 537796301 /nfs/dbraw/zinc/79/63/01/537796301.db2.gz HOCBTNTYHXWYIM-VIFPVBQESA-N 1 1 164.208 0.594 10 0 ACAEMO [NH3+][C@H]1C=C(Cc2ccncc2)CNC1 675077774 537796452 /nfs/dbraw/zinc/79/64/52/537796452.db2.gz IKEWUOYHILLCSE-NSHDSACASA-N 1 1 189.262 0.481 10 0 ACAEMO N[C@@H]1C=C(c2cscn2)C[NH2+]C1 675077979 537796887 /nfs/dbraw/zinc/79/68/87/537796887.db2.gz LRDSNUQJOKLNKQ-SSDOTTSWSA-N 1 1 181.264 0.457 10 0 ACAEMO N[C@@H]1C=C(c2ccns2)C[NH2+]C1 675077659 537796909 /nfs/dbraw/zinc/79/69/09/537796909.db2.gz GYXJPQUQTUIWSE-SSDOTTSWSA-N 1 1 181.264 0.457 10 0 ACAEMO Cc1ncsc1C1=C[C@@H](N)C[NH2+]C1 675077975 537796924 /nfs/dbraw/zinc/79/69/24/537796924.db2.gz LMKLGOGIUNKMRO-MRVPVSSYSA-N 1 1 195.291 0.765 10 0 ACAEMO N[C@H]1C=C(c2cncs2)C[NH2+]C1 675077404 537797040 /nfs/dbraw/zinc/79/70/40/537797040.db2.gz DOXJIKDUUDGSLV-ZETCQYMHSA-N 1 1 181.264 0.457 10 0 ACAEMO [NH3+][C@H]1C=C(c2ccc[nH]2)CNC1 675077472 537797369 /nfs/dbraw/zinc/79/73/69/537797369.db2.gz FJSJCVPHGIZEQU-QMMMGPOBSA-N 1 1 163.224 0.329 10 0 ACAEMO [NH3+][C@H]1C=C(Cc2cccnc2)CNC1 675078149 537797456 /nfs/dbraw/zinc/79/74/56/537797456.db2.gz WIVRCTJSKVWYNG-NSHDSACASA-N 1 1 189.262 0.481 10 0 ACAEMO Cc1ccc(C2=C[C@H]([NH3+])CNC2)cn1 675077794 537797499 /nfs/dbraw/zinc/79/74/99/537797499.db2.gz RHHFJBFLDMMOEH-NSHDSACASA-N 1 1 189.262 0.704 10 0 ACAEMO [NH3+][C@H]1C=C(Cc2ccns2)CNC1 675077602 537797561 /nfs/dbraw/zinc/79/75/61/537797561.db2.gz GKVPPGKXFBGRMP-QMMMGPOBSA-N 1 1 195.291 0.543 10 0 ACAEMO N[C@H]1C=C(c2cscn2)C[NH2+]C1 675077980 537797681 /nfs/dbraw/zinc/79/76/81/537797681.db2.gz LRDSNUQJOKLNKQ-ZETCQYMHSA-N 1 1 181.264 0.457 10 0 ACAEMO N[C@@H]1C=C(c2ccoc2)C[NH2+]C1 675077714 537797716 /nfs/dbraw/zinc/79/77/16/537797716.db2.gz HOCBTNTYHXWYIM-SECBINFHSA-N 1 1 164.208 0.594 10 0 ACAEMO Cc1cocc1C1=C[C@@H](N)C[NH2+]C1 675077745 537797870 /nfs/dbraw/zinc/79/78/70/537797870.db2.gz HVFFIAZRQRFOIU-SECBINFHSA-N 1 1 178.235 0.902 10 0 ACAEMO N[C@H]1C=C(c2nccs2)C[NH2+]C1 675077846 537797915 /nfs/dbraw/zinc/79/79/15/537797915.db2.gz JEUKKOYDQKUEHT-ZETCQYMHSA-N 1 1 181.264 0.457 10 0 ACAEMO N[C@@H]1C=C(c2nccs2)C[NH2+]C1 675077842 537798175 /nfs/dbraw/zinc/79/81/75/537798175.db2.gz JEUKKOYDQKUEHT-SSDOTTSWSA-N 1 1 181.264 0.457 10 0 ACAEMO N[C@@H]1C=C(c2cnsc2)C[NH2+]C1 675077706 537798220 /nfs/dbraw/zinc/79/82/20/537798220.db2.gz HNEBEOFJGLSPGL-MRVPVSSYSA-N 1 1 181.264 0.457 10 0 ACAEMO Cc1cc(C2=C[C@H](N)C[NH2+]C2)sn1 675077997 537798284 /nfs/dbraw/zinc/79/82/84/537798284.db2.gz LVPZZCCXUKTPCI-QMMMGPOBSA-N 1 1 195.291 0.765 10 0 ACAEMO CC(C)OCC1=C[C@@H]([NH3+])CNC1 675077232 537798432 /nfs/dbraw/zinc/79/84/32/537798432.db2.gz BHBNATNKLQQFDE-SECBINFHSA-N 1 1 170.256 0.268 10 0 ACAEMO Cc1cocc1C1=C[C@H](N)C[NH2+]C1 675077747 537798611 /nfs/dbraw/zinc/79/86/11/537798611.db2.gz HVFFIAZRQRFOIU-VIFPVBQESA-N 1 1 178.235 0.902 10 0 ACAEMO CCn1cnc(C2=C[C@@H](N)C[NH2+]C2)c1 675077855 537798824 /nfs/dbraw/zinc/79/88/24/537798824.db2.gz JHJKPUDIAJWLGP-SECBINFHSA-N 1 1 192.266 0.217 10 0 ACAEMO N[C@@H]1C=C(c2ccncc2F)C[NH2+]C1 675077748 537798890 /nfs/dbraw/zinc/79/88/90/537798890.db2.gz HXFYWBFGNPWBOO-MRVPVSSYSA-N 1 1 193.225 0.535 10 0 ACAEMO Cc1nc(C2=C[C@@H](N)C[NH2+]C2)cn1C 675077579 537798956 /nfs/dbraw/zinc/79/89/56/537798956.db2.gz GESXIOFREHDAGM-SECBINFHSA-N 1 1 192.266 0.042 10 0 ACAEMO N[C@H]1C=C(c2ccncc2F)C[NH2+]C1 675077749 537799055 /nfs/dbraw/zinc/79/90/55/537799055.db2.gz HXFYWBFGNPWBOO-QMMMGPOBSA-N 1 1 193.225 0.535 10 0 ACAEMO CC(C)OCC1=C[C@H]([NH3+])CNC1 675077233 537799182 /nfs/dbraw/zinc/79/91/82/537799182.db2.gz BHBNATNKLQQFDE-VIFPVBQESA-N 1 1 170.256 0.268 10 0 ACAEMO [NH3+][C@@H]1C=C(c2ccc[nH]2)CNC1 675077470 537799227 /nfs/dbraw/zinc/79/92/27/537799227.db2.gz FJSJCVPHGIZEQU-MRVPVSSYSA-N 1 1 163.224 0.329 10 0 ACAEMO CCn1cnc(C2=C[C@H](N)C[NH2+]C2)c1 675077856 537799295 /nfs/dbraw/zinc/79/92/95/537799295.db2.gz JHJKPUDIAJWLGP-VIFPVBQESA-N 1 1 192.266 0.217 10 0 ACAEMO Cc1csc(C2=C[C@@H](N)C[NH2+]C2)n1 675077306 537799355 /nfs/dbraw/zinc/79/93/55/537799355.db2.gz CFFLAQKWFLWNFH-MRVPVSSYSA-N 1 1 195.291 0.765 10 0 ACAEMO N[C@H]1C=C(c2ccns2)C[NH2+]C1 675077666 537799422 /nfs/dbraw/zinc/79/94/22/537799422.db2.gz GYXJPQUQTUIWSE-ZETCQYMHSA-N 1 1 181.264 0.457 10 0 ACAEMO [NH3+][C@@H]1C=C(Cc2ccns2)CNC1 675077600 537799557 /nfs/dbraw/zinc/79/95/57/537799557.db2.gz GKVPPGKXFBGRMP-MRVPVSSYSA-N 1 1 195.291 0.543 10 0 ACAEMO Cc1csc(C2=C[C@H](N)C[NH2+]C2)n1 675077310 537799698 /nfs/dbraw/zinc/79/96/98/537799698.db2.gz CFFLAQKWFLWNFH-QMMMGPOBSA-N 1 1 195.291 0.765 10 0 ACAEMO N[C@@H]1C=C(c2cncs2)C[NH2+]C1 675077403 537799934 /nfs/dbraw/zinc/79/99/34/537799934.db2.gz DOXJIKDUUDGSLV-SSDOTTSWSA-N 1 1 181.264 0.457 10 0 ACAEMO Cc1nc(C2=C[C@H](N)C[NH2+]C2)cn1C 675077581 537800052 /nfs/dbraw/zinc/80/00/52/537800052.db2.gz GESXIOFREHDAGM-VIFPVBQESA-N 1 1 192.266 0.042 10 0 ACAEMO [NH3+][C@H]1C=C(Cc2cncs2)CNC1 675077422 537800114 /nfs/dbraw/zinc/80/01/14/537800114.db2.gz DYWOBESYITYPEY-QMMMGPOBSA-N 1 1 195.291 0.543 10 0 ACAEMO Cc1cncc(C2=C[C@@H]([NH3+])CNC2)c1 675077948 537800146 /nfs/dbraw/zinc/80/01/46/537800146.db2.gz KKRSCMWLXBGCCG-LLVKDONJSA-N 1 1 189.262 0.704 10 0 ACAEMO N[C@H]1C=C(c2cnsc2)C[NH2+]C1 675077707 537800203 /nfs/dbraw/zinc/80/02/03/537800203.db2.gz HNEBEOFJGLSPGL-QMMMGPOBSA-N 1 1 181.264 0.457 10 0 ACAEMO [NH3+][C@@H]1C=C(Cc2cncs2)CNC1 675077420 537800334 /nfs/dbraw/zinc/80/03/34/537800334.db2.gz DYWOBESYITYPEY-MRVPVSSYSA-N 1 1 195.291 0.543 10 0 ACAEMO Cc1ccc(C2=C[C@@H]([NH3+])CNC2)cn1 675077793 537800369 /nfs/dbraw/zinc/80/03/69/537800369.db2.gz RHHFJBFLDMMOEH-LLVKDONJSA-N 1 1 189.262 0.704 10 0 ACAEMO [NH3+][C@@H]1C=C(Cc2cccnc2)CNC1 675078148 537800451 /nfs/dbraw/zinc/80/04/51/537800451.db2.gz WIVRCTJSKVWYNG-LLVKDONJSA-N 1 1 189.262 0.481 10 0 ACAEMO Cc1coc(C2=C[C@@H](N)C[NH2+]C2)c1 675077641 537800495 /nfs/dbraw/zinc/80/04/95/537800495.db2.gz GRQLXBDXFZGBTQ-SECBINFHSA-N 1 1 178.235 0.902 10 0 ACAEMO Cc1cncc(C2=C[C@H]([NH3+])CNC2)c1 675077949 537800519 /nfs/dbraw/zinc/80/05/19/537800519.db2.gz KKRSCMWLXBGCCG-NSHDSACASA-N 1 1 189.262 0.704 10 0 ACAEMO [NH3+][C@@H]1C=C(Cc2ccncc2)CNC1 675077773 537800550 /nfs/dbraw/zinc/80/05/50/537800550.db2.gz IKEWUOYHILLCSE-LLVKDONJSA-N 1 1 189.262 0.481 10 0 ACAEMO Cc1coc(C2=C[C@H](N)C[NH2+]C2)c1 675077644 537800747 /nfs/dbraw/zinc/80/07/47/537800747.db2.gz GRQLXBDXFZGBTQ-VIFPVBQESA-N 1 1 178.235 0.902 10 0 ACAEMO Cc1cc(C2=C[C@@H](N)C[NH2+]C2)sn1 675077996 537800808 /nfs/dbraw/zinc/80/08/08/537800808.db2.gz LVPZZCCXUKTPCI-MRVPVSSYSA-N 1 1 195.291 0.765 10 0 ACAEMO Cc1ncsc1C1=C[C@H](N)C[NH2+]C1 675077976 537800917 /nfs/dbraw/zinc/80/09/17/537800917.db2.gz LMKLGOGIUNKMRO-QMMMGPOBSA-N 1 1 195.291 0.765 10 0 ACAEMO Cc1cnn(C)c1C1=C[C@@H](N)C[NH2+]C1 675078410 537801415 /nfs/dbraw/zinc/80/14/15/537801415.db2.gz YDIXTVYZWFZGDI-SECBINFHSA-N 1 1 192.266 0.042 10 0 ACAEMO [NH3+][C@H]1C=C(Cc2cscn2)CNC1 675078334 537801623 /nfs/dbraw/zinc/80/16/23/537801623.db2.gz OTCNOKATYYNMOH-QMMMGPOBSA-N 1 1 195.291 0.543 10 0 ACAEMO [NH3+][C@@H]1C=C(Cc2cscn2)CNC1 675078283 537801700 /nfs/dbraw/zinc/80/17/00/537801700.db2.gz OTCNOKATYYNMOH-MRVPVSSYSA-N 1 1 195.291 0.543 10 0 ACAEMO Cc1nn(C)cc1C1=C[C@H](N)C[NH2+]C1 675078339 537802043 /nfs/dbraw/zinc/80/20/43/537802043.db2.gz OUESPIWBXPGVIT-VIFPVBQESA-N 1 1 192.266 0.042 10 0 ACAEMO Cc1cnn(C)c1C1=C[C@H](N)C[NH2+]C1 675078412 537802095 /nfs/dbraw/zinc/80/20/95/537802095.db2.gz YDIXTVYZWFZGDI-VIFPVBQESA-N 1 1 192.266 0.042 10 0 ACAEMO Cc1ccncc1C1=C[C@H](N)C[NH2+]C1 675078368 537802199 /nfs/dbraw/zinc/80/21/99/537802199.db2.gz PBLADBFBMDEPOF-JTQLQIEISA-N 1 1 189.262 0.704 10 0 ACAEMO Cc1nn(C)cc1C1=C[C@@H](N)C[NH2+]C1 675078335 537802322 /nfs/dbraw/zinc/80/23/22/537802322.db2.gz OUESPIWBXPGVIT-SECBINFHSA-N 1 1 192.266 0.042 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C[C@H](O)[C@@H](C)[N@H+](C)Cc1cc[nH]n1 308323256 573235008 /nfs/dbraw/zinc/23/50/08/573235008.db2.gz CUMOKBQODCXVSU-SFYZADRCSA-N 1 1 183.255 0.611 10 0 ACAEMO C[C@H](O)[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 308323256 573235010 /nfs/dbraw/zinc/23/50/10/573235010.db2.gz CUMOKBQODCXVSU-SFYZADRCSA-N 1 1 183.255 0.611 10 0 ACAEMO Cc1ncnc(C)c1C(=O)C[NH3+] 82851403 573235056 /nfs/dbraw/zinc/23/50/56/573235056.db2.gz KWFRKZVFCGUDTF-UHFFFAOYSA-N 1 1 165.196 0.235 10 0 ACAEMO CC[C@](C)(CN)[N@H+](C)CCO 50091262 573235067 /nfs/dbraw/zinc/23/50/67/573235067.db2.gz ROFRCEGJAZDOPW-MRVPVSSYSA-N 1 1 160.261 0.038 10 0 ACAEMO CC[C@](C)(CN)[N@@H+](C)CCO 50091262 573235071 /nfs/dbraw/zinc/23/50/71/573235071.db2.gz ROFRCEGJAZDOPW-MRVPVSSYSA-N 1 1 160.261 0.038 10 0 ACAEMO CNc1c(N)nc(C)[nH+]c1C 238322937 573235169 /nfs/dbraw/zinc/23/51/69/573235169.db2.gz CRZHZMYOVJHDHW-UHFFFAOYSA-N 1 1 152.201 0.717 10 0 ACAEMO C/C=C/C[NH2+][C@H](C)c1nnnn1C 308315875 573235288 /nfs/dbraw/zinc/23/52/88/573235288.db2.gz VJAHFMYEJICKPN-SMMXGFFBSA-N 1 1 181.243 0.437 10 0 ACAEMO [NH3+][C@H](CO)c1nccc(C2CCC2)n1 259042630 573235504 /nfs/dbraw/zinc/23/55/04/573235504.db2.gz IIRSIVCAVDBXDW-MRVPVSSYSA-N 1 1 193.250 0.736 10 0 ACAEMO C[N@H+]1CC[C@@H](C[C@@H]2CNC(=O)O2)C1 258241501 573235617 /nfs/dbraw/zinc/23/56/17/573235617.db2.gz HGNMTGZGKPJKIO-JGVFFNPUSA-N 1 1 184.239 0.437 10 0 ACAEMO C[N@@H+](C[C@H]1CCOC1)C(C)(C)CN 50090675 573235798 /nfs/dbraw/zinc/23/57/98/573235798.db2.gz LVDGIRWCZHYRMN-SECBINFHSA-N 1 1 186.299 0.692 10 0 ACAEMO CN(C[C@H]1CCOC1)C(C)(C)C[NH3+] 50090675 573235801 /nfs/dbraw/zinc/23/58/01/573235801.db2.gz LVDGIRWCZHYRMN-SECBINFHSA-N 1 1 186.299 0.692 10 0 ACAEMO [NH3+][C@@H](CO)c1nccc(C2CCC2)n1 259042634 573235843 /nfs/dbraw/zinc/23/58/43/573235843.db2.gz IIRSIVCAVDBXDW-QMMMGPOBSA-N 1 1 193.250 0.736 10 0 ACAEMO C[NH2+][C@H](C(=O)[O-])[C@@H]([NH3+])c1ccccc1 259388162 573235988 /nfs/dbraw/zinc/23/59/88/573235988.db2.gz LHNMOMIDDLPJSR-IUCAKERBSA-N 1 1 194.234 0.359 10 0 ACAEMO COCCC[N@H+]1C[C@H](O)CC1(C)C 259386798 573238958 /nfs/dbraw/zinc/23/89/58/573238958.db2.gz LNFBLBQHNGIGNC-SECBINFHSA-N 1 1 187.283 0.868 10 0 ACAEMO C[NH2+][C@H](c1ccc[nH]1)[C@H]([NH3+])CC(=O)[O-] 259389809 573239004 /nfs/dbraw/zinc/23/90/04/573239004.db2.gz MGJFXKWDNOGTSO-MUWHJKNJSA-N 1 1 197.238 0.077 10 0 ACAEMO CC[N@H+]1CC=C(COC)C1 258244748 573239023 /nfs/dbraw/zinc/23/90/23/573239023.db2.gz XLFRQDHSBNVTHV-UHFFFAOYSA-N 1 1 141.214 0.895 10 0 ACAEMO CC[C@@](C)(CN)[N@@H+](C)CCCO 50091302 573239135 /nfs/dbraw/zinc/23/91/35/573239135.db2.gz ZUJSDYKFDYEKBL-VIFPVBQESA-N 1 1 174.288 0.428 10 0 ACAEMO CC[C@@](C)(C[NH3+])N(C)CCCO 50091302 573239139 /nfs/dbraw/zinc/23/91/39/573239139.db2.gz ZUJSDYKFDYEKBL-VIFPVBQESA-N 1 1 174.288 0.428 10 0 ACAEMO C[C@H](O)[C@H](C)[N@H+](C)Cc1cc[nH]n1 308323257 573239218 /nfs/dbraw/zinc/23/92/18/573239218.db2.gz CUMOKBQODCXVSU-YUMQZZPRSA-N 1 1 183.255 0.611 10 0 ACAEMO C[C@H](O)[C@H](C)[N@@H+](C)Cc1cc[nH]n1 308323257 573239224 /nfs/dbraw/zinc/23/92/24/573239224.db2.gz CUMOKBQODCXVSU-YUMQZZPRSA-N 1 1 183.255 0.611 10 0 ACAEMO CCC[N@@H+](CCO)[C@@](C)(CC)CN 50091947 573238656 /nfs/dbraw/zinc/23/86/56/573238656.db2.gz YXDOBWHJOGHGMF-JTQLQIEISA-N 1 1 188.315 0.818 10 0 ACAEMO COCC(=O)[C@H]1[NH+]=CNC2=C1CCC2 238324245 573240514 /nfs/dbraw/zinc/24/05/14/573240514.db2.gz BHUKIALQXLIEKH-JTQLQIEISA-N 1 1 194.234 0.640 10 0 ACAEMO C[C@@H](O)CCC[N@H+](CCN)C1CC1 308324779 573240566 /nfs/dbraw/zinc/24/05/66/573240566.db2.gz DVHQDACSMRFTOJ-SECBINFHSA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@@H](O)CCC[N@@H+](CCN)C1CC1 308324779 573240571 /nfs/dbraw/zinc/24/05/71/573240571.db2.gz DVHQDACSMRFTOJ-SECBINFHSA-N 1 1 186.299 0.571 10 0 ACAEMO CN(CCCO)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746861 573240586 /nfs/dbraw/zinc/24/05/86/573240586.db2.gz DBBZEHJAWZBOJP-ZACCUICWSA-N 1 1 198.310 0.584 10 0 ACAEMO CN(C)c1ccc([C@H]([NH3+])CN)cn1 238314955 573240639 /nfs/dbraw/zinc/24/06/39/573240639.db2.gz ORVMNNZHQXRDNK-MRVPVSSYSA-N 1 1 180.255 0.106 10 0 ACAEMO C[C@H](O)CCC[N@H+](CCN)C1CC1 308324780 573240674 /nfs/dbraw/zinc/24/06/74/573240674.db2.gz DVHQDACSMRFTOJ-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@H](O)CCC[N@@H+](CCN)C1CC1 308324780 573240680 /nfs/dbraw/zinc/24/06/80/573240680.db2.gz DVHQDACSMRFTOJ-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO CN(C)CC[C@@H]1C=CC[NH2+]1 238314391 573240733 /nfs/dbraw/zinc/24/07/33/573240733.db2.gz KFLABHJPBYXCNB-QMMMGPOBSA-N 1 1 140.230 0.466 10 0 ACAEMO CC[C@H]1C[NH2+][C@H](C)C(=O)N1C 238314800 573240775 /nfs/dbraw/zinc/24/07/75/573240775.db2.gz VHDGZVWSNXCHKE-RQJHMYQMSA-N 1 1 156.229 0.215 10 0 ACAEMO CCO[C@H]1C[NH2+]CC1(F)F 259046058 573240979 /nfs/dbraw/zinc/24/09/79/573240979.db2.gz ANNGORRATQBPLT-YFKPBYRVSA-N 1 1 151.156 0.630 10 0 ACAEMO C[N@@H+]1CCN[C@@H](CCc2cc[nH]c2)C1 259042859 573240987 /nfs/dbraw/zinc/24/09/87/573240987.db2.gz CZQUAYAEIQKHFD-NSHDSACASA-N 1 1 193.294 0.851 10 0 ACAEMO C[N@H+]1CCN[C@@H](CCc2cc[nH]c2)C1 259042859 573240991 /nfs/dbraw/zinc/24/09/91/573240991.db2.gz CZQUAYAEIQKHFD-NSHDSACASA-N 1 1 193.294 0.851 10 0 ACAEMO COC(C)(C)c1noc(C[NH3+])n1 86070835 573241052 /nfs/dbraw/zinc/24/10/52/573241052.db2.gz PLGZZQJMEKYLBM-UHFFFAOYSA-N 1 1 171.200 0.410 10 0 ACAEMO CC1(O)CN(c2ccc(N)[nH+]c2)C1 116056382 573241375 /nfs/dbraw/zinc/24/13/75/573241375.db2.gz MSRBJKAFGFOQJX-UHFFFAOYSA-N 1 1 179.223 0.235 10 0 ACAEMO CC(C)[N@@H+](CCO)[C@H]1CCCC1=O 50158067 573241390 /nfs/dbraw/zinc/24/13/90/573241390.db2.gz GFIYMQLPTLKPNA-VIFPVBQESA-N 1 1 185.267 0.811 10 0 ACAEMO C[N@H+]1CCC[C@@H](c2ccnc(=O)[nH]2)C1 259044342 573241597 /nfs/dbraw/zinc/24/15/97/573241597.db2.gz IMYPTXTXLZUIJG-MRVPVSSYSA-N 1 1 193.250 0.991 10 0 ACAEMO NC(=O)[C@@H]1[NH2+]Cc2ccccc21 116027308 573241605 /nfs/dbraw/zinc/24/16/05/573241605.db2.gz VKYTVITWNRXGGT-MRVPVSSYSA-N 1 1 162.192 0.316 10 0 ACAEMO COC(=O)C1=CC[C@@H]2CCC[N@H+]2C1 238316023 573242084 /nfs/dbraw/zinc/24/20/84/573242084.db2.gz AGVFXULZCXXSDC-VIFPVBQESA-N 1 1 181.235 0.954 10 0 ACAEMO CC[C@H](O)[C@H]1CCC[C@@H](CN)[N@@H+]1C 238315183 573242155 /nfs/dbraw/zinc/24/21/55/573242155.db2.gz UPVSKNCXAITJRJ-AEJSXWLSSA-N 1 1 186.299 0.569 10 0 ACAEMO CC[C@H](O)[C@H]1CCC[C@@H](CN)[N@H+]1C 238315183 573242161 /nfs/dbraw/zinc/24/21/61/573242161.db2.gz UPVSKNCXAITJRJ-AEJSXWLSSA-N 1 1 186.299 0.569 10 0 ACAEMO C/C=C\COc1nc(NN)[nH+]cc1F 308320265 573242169 /nfs/dbraw/zinc/24/21/69/573242169.db2.gz MWWPXCGGLZJBHY-IHWYPQMZSA-N 1 1 198.201 0.856 10 0 ACAEMO C[C@H](F)CC[N@H+]1CC[C@H](C(N)=O)C1 308321569 573242711 /nfs/dbraw/zinc/24/27/11/573242711.db2.gz BKJLMMAOEITMPW-YUMQZZPRSA-N 1 1 188.246 0.542 10 0 ACAEMO CC(=O)CCC[N@H+]1CCC[C@H]1CO 50150253 573243033 /nfs/dbraw/zinc/24/30/33/573243033.db2.gz YCBUCIJDCGBOOM-JTQLQIEISA-N 1 1 185.267 0.812 10 0 ACAEMO OCC1(N2CCC[NH2+]CC2)CCC1 82863410 573243047 /nfs/dbraw/zinc/24/30/47/573243047.db2.gz AROVRLKTVYKYMH-UHFFFAOYSA-N 1 1 184.283 0.197 10 0 ACAEMO C[C@@H]1C[C@@]1(CO)[C@@H]1CC[N@@H+](C)C1 259043775 573243065 /nfs/dbraw/zinc/24/30/65/573243065.db2.gz UDPKFQVRKGNTQH-BBBLOLIVSA-N 1 1 169.268 0.957 10 0 ACAEMO C[C@@]1(C2CCC2)C[NH2+]CCN1 259043894 573243220 /nfs/dbraw/zinc/24/32/20/573243220.db2.gz KVKHPUQYJBGVDR-VIFPVBQESA-N 1 1 154.257 0.738 10 0 ACAEMO C[C@@H](F)CC[N@H+]1CC[C@H](C(N)=O)C1 308321568 573243307 /nfs/dbraw/zinc/24/33/07/573243307.db2.gz BKJLMMAOEITMPW-SFYZADRCSA-N 1 1 188.246 0.542 10 0 ACAEMO O[C@@H](c1cnc[nH]1)[C@@H]1CCCC[NH2+]1 221302786 573243338 /nfs/dbraw/zinc/24/33/38/573243338.db2.gz NGBBJNTWECMGJN-IONNQARKSA-N 1 1 181.239 0.585 10 0 ACAEMO C[C@@H]1C[C@]1(CO)[C@H]1CC[N@@H+](C)C1 259043779 573243367 /nfs/dbraw/zinc/24/33/67/573243367.db2.gz UDPKFQVRKGNTQH-KXUCPTDWSA-N 1 1 169.268 0.957 10 0 ACAEMO COC(=O)C1=CC[C@H]2CCC[N@H+]2C1 238316156 573243460 /nfs/dbraw/zinc/24/34/60/573243460.db2.gz AGVFXULZCXXSDC-SECBINFHSA-N 1 1 181.235 0.954 10 0 ACAEMO COC(C)(C)c1noc([C@@H](C)[NH3+])n1 86070902 573243535 /nfs/dbraw/zinc/24/35/35/573243535.db2.gz KTFIAFOSUSYDOB-RXMQYKEDSA-N 1 1 185.227 0.971 10 0 ACAEMO CC(=O)CCC[N@H+]1CCC[C@@H]1CO 50150251 573243550 /nfs/dbraw/zinc/24/35/50/573243550.db2.gz YCBUCIJDCGBOOM-SNVBAGLBSA-N 1 1 185.267 0.812 10 0 ACAEMO CC(=O)CCC[N@H+]1CCC[C@H]1C(N)=O 50133238 573243567 /nfs/dbraw/zinc/24/35/67/573243567.db2.gz BQTTUBYWAOEJFR-VIFPVBQESA-N 1 1 198.266 0.305 10 0 ACAEMO C[NH2+][C@H]([C@H](C)O)[C@H]1CCCN(C)C1 259391165 573243622 /nfs/dbraw/zinc/24/36/22/573243622.db2.gz RORJWWMBGAVXCY-LPEHRKFASA-N 1 1 186.299 0.297 10 0 ACAEMO C[NH2+][C@H]([C@H](C)O)[C@@H]1CCCN(C)C1 259391158 573243812 /nfs/dbraw/zinc/24/38/12/573243812.db2.gz RORJWWMBGAVXCY-IVZWLZJFSA-N 1 1 186.299 0.297 10 0 ACAEMO C[C@@H]1C[C@]1(CO)[C@@H]1CC[N@@H+](C)C1 259043782 573245521 /nfs/dbraw/zinc/24/55/21/573245521.db2.gz UDPKFQVRKGNTQH-OPRDCNLKSA-N 1 1 169.268 0.957 10 0 ACAEMO Cc1cccc(CC[NH2+]CNN)c1 259045990 573245662 /nfs/dbraw/zinc/24/56/62/573245662.db2.gz JPLSNDZTYIYBFV-UHFFFAOYSA-N 1 1 179.267 0.548 10 0 ACAEMO CNC(=O)[C@@H]1CCC[N@H+]1CCC(C)=O 50154335 573245999 /nfs/dbraw/zinc/24/59/99/573245999.db2.gz LIHAFUHZPQMRDL-VIFPVBQESA-N 1 1 198.266 0.176 10 0 ACAEMO [NH3+]C[C@@]1(c2ccccn2)CCCN1 258609966 573246550 /nfs/dbraw/zinc/24/65/50/573246550.db2.gz IPOSNORSUHUZJI-SNVBAGLBSA-N 1 1 177.251 0.619 10 0 ACAEMO C[N@H+]1CCC[C@@H](/C=C/CO)C1 259048493 573246573 /nfs/dbraw/zinc/24/65/73/573246573.db2.gz ASPYEAOHEOJFJA-SGRBOOSSSA-N 1 1 155.241 0.877 10 0 ACAEMO CC(=O)CC[N@H+]1CCC[C@H]1CO 50149988 573246603 /nfs/dbraw/zinc/24/66/03/573246603.db2.gz GRYYTHMFKUIXEC-VIFPVBQESA-N 1 1 171.240 0.422 10 0 ACAEMO [NH3+]C[C@]1(c2ccccn2)CCCN1 258609964 573246619 /nfs/dbraw/zinc/24/66/19/573246619.db2.gz IPOSNORSUHUZJI-JTQLQIEISA-N 1 1 177.251 0.619 10 0 ACAEMO C[NH2+][C@@H]([C@H]1CCCN(C)C1)[C@@H](C)O 259391163 573246656 /nfs/dbraw/zinc/24/66/56/573246656.db2.gz RORJWWMBGAVXCY-KXUCPTDWSA-N 1 1 186.299 0.297 10 0 ACAEMO CNC(=O)C[N@H+](C)CCCC(C)=O 50133789 573246732 /nfs/dbraw/zinc/24/67/32/573246732.db2.gz UAAYFULCMSRDFJ-UHFFFAOYSA-N 1 1 186.255 0.033 10 0 ACAEMO CNC(=O)C[N@@H+](C)CCCC(C)=O 50133789 573246738 /nfs/dbraw/zinc/24/67/38/573246738.db2.gz UAAYFULCMSRDFJ-UHFFFAOYSA-N 1 1 186.255 0.033 10 0 ACAEMO C[C@H]([NH3+])c1nc(C(=O)NC#N)cs1 86075793 573246784 /nfs/dbraw/zinc/24/67/84/573246784.db2.gz BJASFPOHZGKWOI-BYPYZUCNSA-N 1 1 196.235 0.374 10 0 ACAEMO C[C@H]1NCC[NH2+][C@@H]1Cc1ccco1 258609088 573246808 /nfs/dbraw/zinc/24/68/08/573246808.db2.gz PCNZZEHPWOQPSM-PSASIEDQSA-N 1 1 180.251 0.772 10 0 ACAEMO CCC[C@H]([NH2+]C)C1(CN)COC1 259049251 573246884 /nfs/dbraw/zinc/24/68/84/573246884.db2.gz AGEXFQMSANYRKW-QMMMGPOBSA-N 1 1 172.272 0.350 10 0 ACAEMO NC(=O)[C@H]1[NH2+]Cc2ccccc21 116027311 573246990 /nfs/dbraw/zinc/24/69/90/573246990.db2.gz VKYTVITWNRXGGT-QMMMGPOBSA-N 1 1 162.192 0.316 10 0 ACAEMO C[NH+]1CCN(Cc2coc(N)n2)CC1 258247726 573249244 /nfs/dbraw/zinc/24/92/44/573249244.db2.gz RAAYOUJMJTUGTC-UHFFFAOYSA-N 1 1 196.254 0.004 10 0 ACAEMO c1nnc(C[NH2+]C[C@H]2CCCO2)o1 308321953 573249281 /nfs/dbraw/zinc/24/92/81/573249281.db2.gz BWTVTKFPTKWIBU-SSDOTTSWSA-N 1 1 183.211 0.338 10 0 ACAEMO Cc1nnc(C(=O)[C@H](C)[NH3+])c(C)n1 82872497 573249292 /nfs/dbraw/zinc/24/92/92/573249292.db2.gz OCTKCVNVHBXREJ-BYPYZUCNSA-N 1 1 180.211 0.018 10 0 ACAEMO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC1 308322289 573249299 /nfs/dbraw/zinc/24/92/99/573249299.db2.gz ZKBIRFQXADSONA-BDAKNGLRSA-N 1 1 184.283 0.995 10 0 ACAEMO CCC[C@@H]([NH2+]C)C1(CN)COC1 259049247 573249321 /nfs/dbraw/zinc/24/93/21/573249321.db2.gz AGEXFQMSANYRKW-MRVPVSSYSA-N 1 1 172.272 0.350 10 0 ACAEMO [NH3+]CC(=O)c1ccc2cnoc2c1 82868809 573249478 /nfs/dbraw/zinc/24/94/78/573249478.db2.gz UUVIGPZTMVMVIV-UHFFFAOYSA-N 1 1 176.175 0.969 10 0 ACAEMO C[C@@H]1CCC[N@H+]1C1CC(O)C1 116158667 573249505 /nfs/dbraw/zinc/24/95/05/573249505.db2.gz ONKCEJBUCOGCSW-AFPNSQJFSA-N 1 1 155.241 0.994 10 0 ACAEMO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC1 308322292 573249675 /nfs/dbraw/zinc/24/96/75/573249675.db2.gz ZKBIRFQXADSONA-IUCAKERBSA-N 1 1 184.283 0.995 10 0 ACAEMO CCOC(=O)C(=O)[C@@H]1CCC[N@@H+](C)C1 259048222 573250839 /nfs/dbraw/zinc/25/08/39/573250839.db2.gz DNTXCXQQFCQVTF-MRVPVSSYSA-N 1 1 199.250 0.460 10 0 ACAEMO C[C@H]1CC[N@H+](CCO)[C@@H](CN)C1 235554474 573250870 /nfs/dbraw/zinc/25/08/70/573250870.db2.gz SQUSRCDOVJMLHV-DTWKUNHWSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@H]1CC[N@@H+](CCO)[C@@H](CN)C1 235554474 573250873 /nfs/dbraw/zinc/25/08/73/573250873.db2.gz SQUSRCDOVJMLHV-DTWKUNHWSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@@H]([NH3+])c1ccc(CN)o1 258609502 573250985 /nfs/dbraw/zinc/25/09/85/573250985.db2.gz VQVVZRSUJRAXSR-RXMQYKEDSA-N 1 1 140.186 0.758 10 0 ACAEMO C[N@H+]1CC[C@@H](Cc2cc(CO)n[nH]2)C1 259393581 573250998 /nfs/dbraw/zinc/25/09/98/573250998.db2.gz WXOFKHGQPQZPBD-QMMMGPOBSA-N 1 1 195.266 0.396 10 0 ACAEMO C[N@@H+]1CC[C@@H](Cc2cc(CO)[nH]n2)C1 259393581 573251003 /nfs/dbraw/zinc/25/10/03/573251003.db2.gz WXOFKHGQPQZPBD-QMMMGPOBSA-N 1 1 195.266 0.396 10 0 ACAEMO C[N@H+]1CC[C@@H](Cc2cc(CO)[nH]n2)C1 259393581 573251006 /nfs/dbraw/zinc/25/10/06/573251006.db2.gz WXOFKHGQPQZPBD-QMMMGPOBSA-N 1 1 195.266 0.396 10 0 ACAEMO CNc1cc(C)[nH+]c(C(=N)NO)c1 116139335 573251016 /nfs/dbraw/zinc/25/10/16/573251016.db2.gz LRRPZKSAGXBIFE-UHFFFAOYSA-N 1 1 180.211 0.736 10 0 ACAEMO C[N@H+]1CC[C@H](Cc2cc(CO)n[nH]2)C1 259393575 573253727 /nfs/dbraw/zinc/25/37/27/573253727.db2.gz WXOFKHGQPQZPBD-MRVPVSSYSA-N 1 1 195.266 0.396 10 0 ACAEMO C[N@@H+]1CC[C@H](Cc2cc(CO)[nH]n2)C1 259393575 573253734 /nfs/dbraw/zinc/25/37/34/573253734.db2.gz WXOFKHGQPQZPBD-MRVPVSSYSA-N 1 1 195.266 0.396 10 0 ACAEMO C[N@H+]1CC[C@H](Cc2cc(CO)[nH]n2)C1 259393575 573253743 /nfs/dbraw/zinc/25/37/43/573253743.db2.gz WXOFKHGQPQZPBD-MRVPVSSYSA-N 1 1 195.266 0.396 10 0 ACAEMO C[N@H+]1CC[C@H](Oc2cn[nH]c2)C1 258260156 573253746 /nfs/dbraw/zinc/25/37/46/573253746.db2.gz AUQUAASIOIPYBO-ZETCQYMHSA-N 1 1 167.212 0.493 10 0 ACAEMO COCNC1CC[NH+](C)CC1 259055864 573253861 /nfs/dbraw/zinc/25/38/61/573253861.db2.gz KLTISQPQCBSCSY-UHFFFAOYSA-N 1 1 158.245 0.274 10 0 ACAEMO C[NH2+]Cc1nc2c(C)cccn2n1 107313678 573253920 /nfs/dbraw/zinc/25/39/20/573253920.db2.gz WCNZJUDJGKQCIA-UHFFFAOYSA-N 1 1 176.223 0.757 10 0 ACAEMO COCC[N@@H+](C)[C@@H](C)[C@@H]1CCOC1 308327752 573253922 /nfs/dbraw/zinc/25/39/22/573253922.db2.gz GOHWVYRFHUYXIO-VHSXEESVSA-N 1 1 187.283 0.990 10 0 ACAEMO CNC1=[NH+]c2c(C)nn(C)c2C=NC1 238318553 573253935 /nfs/dbraw/zinc/25/39/35/573253935.db2.gz KGXYHFWLGDLDRP-UHFFFAOYSA-N 1 1 191.238 0.410 10 0 ACAEMO CC[N@@H+](CC1CCC1)[C@@H]1COC[C@H]1O 308530459 573253985 /nfs/dbraw/zinc/25/39/85/573253985.db2.gz JYQWJCPLJSILFK-GHMZBOCLSA-N 1 1 199.294 0.868 10 0 ACAEMO C[N@H+]1CC[C@@H](C[C@H]2COC(=O)N2)C1 258612674 573255434 /nfs/dbraw/zinc/25/54/34/573255434.db2.gz VVXXOYSTKFJTOX-YUMQZZPRSA-N 1 1 184.239 0.437 10 0 ACAEMO C[N@H+]1CCC[C@@H](CC2(CO)COC2)C1 259394839 573255461 /nfs/dbraw/zinc/25/54/61/573255461.db2.gz NUHYBJMTQAYVGE-JTQLQIEISA-N 1 1 199.294 0.727 10 0 ACAEMO C[C@]1(O)CC[N@H+](C2CCC(=O)CC2)C1 235748474 573255564 /nfs/dbraw/zinc/25/55/64/573255564.db2.gz BIVUJPWYXUEJSF-NSHDSACASA-N 1 1 197.278 0.955 10 0 ACAEMO COC(=O)[C@@H]1C[N@@H+](C)CCC12CC2 259604468 573255588 /nfs/dbraw/zinc/25/55/88/573255588.db2.gz DFJWRDQJYSVMHZ-QMMMGPOBSA-N 1 1 183.251 0.891 10 0 ACAEMO C/C=C/C[N@@H+]1CCO[C@H](COC)C1 308328208 573255619 /nfs/dbraw/zinc/25/56/19/573255619.db2.gz GZSGJHNTXVDHTC-FSIBCCDJSA-N 1 1 185.267 0.910 10 0 ACAEMO C/C=C/C[N@H+]1CCO[C@H](COC)C1 308328208 573255625 /nfs/dbraw/zinc/25/56/25/573255625.db2.gz GZSGJHNTXVDHTC-FSIBCCDJSA-N 1 1 185.267 0.910 10 0 ACAEMO COCC[N@@H+](C)[C@]1(CN)CC[C@@H]2C[C@@H]21 308530488 573255694 /nfs/dbraw/zinc/25/56/94/573255694.db2.gz JZSYJQLZSKBKSS-VWYCJHECSA-N 1 1 198.310 0.692 10 0 ACAEMO COc1cccc(CC[NH2+]CNN)c1 259055838 573255701 /nfs/dbraw/zinc/25/57/01/573255701.db2.gz KLCQUOFLCKAJIR-UHFFFAOYSA-N 1 1 195.266 0.248 10 0 ACAEMO COCCN(C)[C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 308530488 573255713 /nfs/dbraw/zinc/25/57/13/573255713.db2.gz JZSYJQLZSKBKSS-VWYCJHECSA-N 1 1 198.310 0.692 10 0 ACAEMO 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/nfs/dbraw/zinc/25/70/22/573257022.db2.gz VYQSEQYGSJOULC-ZCFIWIBFSA-N 1 1 153.229 0.869 10 0 ACAEMO C[C@@H]([N@@H+](C)C[C@H](O)CN)C(C)(C)C 42746927 573257025 /nfs/dbraw/zinc/25/70/25/573257025.db2.gz QTZOUVDPFYHRGC-RKDXNWHRSA-N 1 1 188.315 0.672 10 0 ACAEMO C[N@H+]1C[C@@H]2CCC[C@H](C1)N2CCCO 238319207 573257069 /nfs/dbraw/zinc/25/70/69/573257069.db2.gz DGEAWEIJQFXVIL-PHIMTYICSA-N 1 1 198.310 0.537 10 0 ACAEMO CN1C[C@@H]2CCC[C@H](C1)[N@@H+]2CCCO 238319207 573257071 /nfs/dbraw/zinc/25/70/71/573257071.db2.gz DGEAWEIJQFXVIL-PHIMTYICSA-N 1 1 198.310 0.537 10 0 ACAEMO CN1C[C@@H]2CCC[C@H](C1)[N@H+]2CCCO 238319207 573257075 /nfs/dbraw/zinc/25/70/75/573257075.db2.gz DGEAWEIJQFXVIL-PHIMTYICSA-N 1 1 198.310 0.537 10 0 ACAEMO C[C@@H]([NH3+])C[C@H](N)c1ccc[nH]1 259397140 573257097 /nfs/dbraw/zinc/25/70/97/573257097.db2.gz NYMBETIQZWGNHK-RQJHMYQMSA-N 1 1 153.229 0.752 10 0 ACAEMO C[C@@H]1CC[N@@H+](C[C@](C)(N)CO)C1 82887327 573257141 /nfs/dbraw/zinc/25/71/41/573257141.db2.gz ITTNTPAXFFFYPT-BDAKNGLRSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@@H]([NH3+])C[C@@H](N)c1ccc[nH]1 259397136 573257142 /nfs/dbraw/zinc/25/71/42/573257142.db2.gz NYMBETIQZWGNHK-RNFRBKRXSA-N 1 1 153.229 0.752 10 0 ACAEMO C[C@@H]1CCN(C[C@](C)([NH3+])CO)C1 82887327 573257147 /nfs/dbraw/zinc/25/71/47/573257147.db2.gz ITTNTPAXFFFYPT-BDAKNGLRSA-N 1 1 172.272 0.038 10 0 ACAEMO CC(C)[N@H+]1CC[C@H](c2noc(N)n2)C1 257981798 573257165 /nfs/dbraw/zinc/25/71/65/573257165.db2.gz KZICFZVNQYPTLJ-ZETCQYMHSA-N 1 1 196.254 0.850 10 0 ACAEMO C[N@H+]1C[C@@H]2CCC[C@H](C1)N2CCO 238319216 573257178 /nfs/dbraw/zinc/25/71/78/573257178.db2.gz IYCULBJJHWBRLI-AOOOYVTPSA-N 1 1 184.283 0.147 10 0 ACAEMO CN1C[C@@H]2CCC[C@H](C1)[N@@H+]2CCO 238319216 573257182 /nfs/dbraw/zinc/25/71/82/573257182.db2.gz IYCULBJJHWBRLI-AOOOYVTPSA-N 1 1 184.283 0.147 10 0 ACAEMO CN1C[C@@H]2CCC[C@H](C1)[N@H+]2CCO 238319216 573257185 /nfs/dbraw/zinc/25/71/85/573257185.db2.gz IYCULBJJHWBRLI-AOOOYVTPSA-N 1 1 184.283 0.147 10 0 ACAEMO C[C@H]1CCC[N@@H+](C[C@](C)(N)CO)C1 82884744 573257194 /nfs/dbraw/zinc/25/71/94/573257194.db2.gz NZPITGZWGAZDHE-UWVGGRQHSA-N 1 1 186.299 0.428 10 0 ACAEMO C[C@H]1CCCN(C[C@](C)([NH3+])CO)C1 82884744 573257197 /nfs/dbraw/zinc/25/71/97/573257197.db2.gz NZPITGZWGAZDHE-UWVGGRQHSA-N 1 1 186.299 0.428 10 0 ACAEMO C[C@H]1CC[C@H](CNCC[NH3+])O1 116320964 573257216 /nfs/dbraw/zinc/25/72/16/573257216.db2.gz YXFJVGDVBSZBJF-JGVFFNPUSA-N 1 1 158.245 0.102 10 0 ACAEMO C[C@]([NH3+])(CO)CCN1CCCCC1 82882522 573257300 /nfs/dbraw/zinc/25/73/00/573257300.db2.gz SGCJWHGSLGTNDV-SNVBAGLBSA-N 1 1 186.299 0.572 10 0 ACAEMO C[C@H](O)C(=O)[C@H]1CCC[N@@H+](C)C1 259055593 573257313 /nfs/dbraw/zinc/25/73/13/573257313.db2.gz GONACHCYMQKNKO-YUMQZZPRSA-N 1 1 171.240 0.278 10 0 ACAEMO C[C@H]1CCC[N@H+]1C[C@](C)(N)CO 82883603 573257331 /nfs/dbraw/zinc/25/73/31/573257331.db2.gz AKCILIKUYTWSJL-IUCAKERBSA-N 1 1 172.272 0.180 10 0 ACAEMO C[C@H]1CCCN1C[C@](C)([NH3+])CO 82883603 573257334 /nfs/dbraw/zinc/25/73/34/573257334.db2.gz AKCILIKUYTWSJL-IUCAKERBSA-N 1 1 172.272 0.180 10 0 ACAEMO [NH3+][C@H](CO)CN1CCCCCC1 82884778 573257349 /nfs/dbraw/zinc/25/73/49/573257349.db2.gz PVVCAPKPSUMRJU-VIFPVBQESA-N 1 1 172.272 0.182 10 0 ACAEMO C[C@@H](CCCO)[N@H+]1CCC[C@H](O)C1 308329325 573257812 /nfs/dbraw/zinc/25/78/12/573257812.db2.gz JJTSLFAPAKLSDO-UWVGGRQHSA-N 1 1 187.283 0.604 10 0 ACAEMO C[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO 688737593 573257818 /nfs/dbraw/zinc/25/78/18/573257818.db2.gz OCSFJAIRRODAEN-BBBLOLIVSA-N 1 1 187.283 0.460 10 0 ACAEMO CC1(C)CCN(C[C@H]([NH3+])CO)CC1 82882439 573257865 /nfs/dbraw/zinc/25/78/65/573257865.db2.gz WWLFWSMWESDLKK-VIFPVBQESA-N 1 1 186.299 0.428 10 0 ACAEMO CO[C@H](C)Cc1nnc([C@H](C)[NH3+])[nH]1 129205395 573257870 /nfs/dbraw/zinc/25/78/70/573257870.db2.gz AQSWAIJSKSJPAP-RITPCOANSA-N 1 1 184.243 0.402 10 0 ACAEMO Cc1[nH+]c(CN(C)O)c2n1CCC2 82886312 573257964 /nfs/dbraw/zinc/25/79/64/573257964.db2.gz NGVFSCIZBIUDDP-UHFFFAOYSA-N 1 1 181.239 0.959 10 0 ACAEMO C[NH+](C)CCc1nc(CN)co1 258260456 573257992 /nfs/dbraw/zinc/25/79/92/573257992.db2.gz XFQFOCJSCVALGM-UHFFFAOYSA-N 1 1 169.228 0.237 10 0 ACAEMO [NH3+][C@H](CO)CN1CCCCCCC1 82883845 573258027 /nfs/dbraw/zinc/25/80/27/573258027.db2.gz NVYFWWNMRGGQSS-JTQLQIEISA-N 1 1 186.299 0.572 10 0 ACAEMO C[C@@H]1CC[C@@H](CNCC[NH3+])O1 116320966 573259830 /nfs/dbraw/zinc/25/98/30/573259830.db2.gz YXFJVGDVBSZBJF-SFYZADRCSA-N 1 1 158.245 0.102 10 0 ACAEMO C[NH2+]Cc1c[nH]c(C[C@@H](C)OC)n1 129213446 573259842 /nfs/dbraw/zinc/25/98/42/573259842.db2.gz JRWAFDISZUNMEP-SSDOTTSWSA-N 1 1 183.255 0.707 10 0 ACAEMO CNC(=O)[C@H](O)CC1=[NH+]CC(C)(C)C1 238325958 573259900 /nfs/dbraw/zinc/25/99/00/573259900.db2.gz VSKJWWASIXVNBV-MRVPVSSYSA-N 1 1 198.266 0.354 10 0 ACAEMO C[C@@H]1CCC[N@@H+](C[C@H](N)CO)C1 82884717 573259947 /nfs/dbraw/zinc/25/99/47/573259947.db2.gz YNAIAHSUBLJGGP-BDAKNGLRSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@@H]1CCCN(C[C@H]([NH3+])CO)C1 82884717 573259951 /nfs/dbraw/zinc/25/99/51/573259951.db2.gz YNAIAHSUBLJGGP-BDAKNGLRSA-N 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164.199 0.545 10 0 ACAEMO [NH3+]Cc1ccc(-c2n[nH]c(=O)o2)cc1 104497269 574013547 /nfs/dbraw/zinc/01/35/47/574013547.db2.gz QRWLRSNNAQYJCD-UHFFFAOYSA-N 1 1 191.190 0.489 10 0 ACAEMO C[C@H]([NH3+])C(=O)OC[C@@H]1CCCO1 48636882 574014340 /nfs/dbraw/zinc/01/43/40/574014340.db2.gz JCWZBURBPWVWKO-BQBZGAKWSA-N 1 1 173.212 0.056 10 0 ACAEMO C[NH2+]Cc1noc(-c2cc(C)on2)n1 85222589 574014350 /nfs/dbraw/zinc/01/43/50/574014350.db2.gz ROZUEGMCNIBWMG-UHFFFAOYSA-N 1 1 194.194 0.752 10 0 ACAEMO C[N@H+]1CC[C@@](N)(C(F)F)C1 87688166 574014352 /nfs/dbraw/zinc/01/43/52/574014352.db2.gz JEGIBQGXNJMUAX-LURJTMIESA-N 1 1 150.172 0.285 10 0 ACAEMO C[C@H](N)[C@H](C)[NH2+][C@@H](CO)C1CCC1 717583442 574014421 /nfs/dbraw/zinc/01/44/21/574014421.db2.gz NDYOGTOEJDWDSW-NRPADANISA-N 1 1 186.299 0.473 10 0 ACAEMO CC(=O)[C@H]([NH3+])c1ccc(CO)c(F)c1 104498583 574014476 /nfs/dbraw/zinc/01/44/76/574014476.db2.gz AONJYIUUPUMFRT-JTQLQIEISA-N 1 1 197.209 0.907 10 0 ACAEMO COCCN1C[C@@H]2C[NH+](C)C[C@H]2C1 585382449 574014579 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199.294 0.868 10 0 ACAEMO CN(C)CC[N@H+]1CCC[C@@](C)(O)C1 161013041 1169262995 /nfs/dbraw/zinc/26/29/95/1169262995.db2.gz BPELGHLVHBFYGV-SNVBAGLBSA-N 1 1 186.299 0.395 10 0 ACAEMO C[NH+](C)CCN1CCC[C@@](C)(O)C1 161013041 1169263002 /nfs/dbraw/zinc/26/30/02/1169263002.db2.gz BPELGHLVHBFYGV-SNVBAGLBSA-N 1 1 186.299 0.395 10 0 ACAEMO C[N@H+](CCO)Cc1[nH]nc2c1CCC2 162885696 1169264232 /nfs/dbraw/zinc/26/42/32/1169264232.db2.gz PVHFDQMDYUJLLA-UHFFFAOYSA-N 1 1 195.266 0.323 10 0 ACAEMO C[N@@H+](CCO)Cc1[nH]nc2c1CCC2 162885696 1169264239 /nfs/dbraw/zinc/26/42/39/1169264239.db2.gz PVHFDQMDYUJLLA-UHFFFAOYSA-N 1 1 195.266 0.323 10 0 ACAEMO C[N@H+](CCO)Cc1cnco1 162878240 1169264306 /nfs/dbraw/zinc/26/43/06/1169264306.db2.gz HSIWMZHLWJQKRG-UHFFFAOYSA-N 1 1 156.185 0.099 10 0 ACAEMO C[N@@H+](CCO)Cc1cnco1 162878240 1169264318 /nfs/dbraw/zinc/26/43/18/1169264318.db2.gz HSIWMZHLWJQKRG-UHFFFAOYSA-N 1 1 156.185 0.099 10 0 ACAEMO [NH3+][C@@H]1C[C@H](NC/C=C/CO)C12CCC2 717548612 674048372 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930535637 674052933 /nfs/dbraw/zinc/05/29/33/674052933.db2.gz JJSJMMWJWYQLBV-JTQLQIEISA-N 1 1 196.294 0.949 10 0 ACAEMO COCC(COC)[N@H+]1C[C@H](C)[C@@H]1C 930581908 674052972 /nfs/dbraw/zinc/05/29/72/674052972.db2.gz JQIPDWPXBRLZAB-IUCAKERBSA-N 1 1 187.283 0.988 10 0 ACAEMO COCC(COC)[N@H+]1C[C@@H](C)[C@@H]1C 930581906 674053025 /nfs/dbraw/zinc/05/30/25/674053025.db2.gz JQIPDWPXBRLZAB-BDAKNGLRSA-N 1 1 187.283 0.988 10 0 ACAEMO COC1CCC([N@H+]2CC[C@@H](N)C2)CC1 164296970 1169272306 /nfs/dbraw/zinc/27/23/06/1169272306.db2.gz HSBMLJXXXQNZTL-KPPDAEKUSA-N 1 1 198.310 0.977 10 0 ACAEMO COC1CCC(N2CC[C@@H]([NH3+])C2)CC1 164296970 1169272327 /nfs/dbraw/zinc/27/23/27/1169272327.db2.gz HSBMLJXXXQNZTL-KPPDAEKUSA-N 1 1 198.310 0.977 10 0 ACAEMO COCC(COC)[N@H+]1C[C@@H](C)[C@H]1C 930581909 674053284 /nfs/dbraw/zinc/05/32/84/674053284.db2.gz JQIPDWPXBRLZAB-RKDXNWHRSA-N 1 1 187.283 0.988 10 0 ACAEMO COCC(COC)[N@H+]1C[C@H](C)[C@H]1C 930581907 674053297 /nfs/dbraw/zinc/05/32/97/674053297.db2.gz 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ACAEMO C[C@@]1(F)CCC[N@@H+](C[C@H](O)CO)C1 930594960 674054265 /nfs/dbraw/zinc/05/42/65/674054265.db2.gz NDDIOQOXLFJVKE-DTWKUNHWSA-N 1 1 191.246 0.164 10 0 ACAEMO CC(=O)CC[N@@H+]1CC[C@@H](O)[C@H]1C 930652051 674054336 /nfs/dbraw/zinc/05/43/36/674054336.db2.gz DGZPLEUMQMSZRH-RKDXNWHRSA-N 1 1 171.240 0.421 10 0 ACAEMO C[C@H]1C[N@H+]([C@@H](C)C2CC2)CC(=O)N1 930643762 674054583 /nfs/dbraw/zinc/05/45/83/674054583.db2.gz ZICBGBAHICHPDH-YUMQZZPRSA-N 1 1 182.267 0.605 10 0 ACAEMO C[C@@H](C1CC1)[N@@H+]1CC(=O)N[C@H](C)C1 930643761 674054652 /nfs/dbraw/zinc/05/46/52/674054652.db2.gz ZICBGBAHICHPDH-SFYZADRCSA-N 1 1 182.267 0.605 10 0 ACAEMO Cc1nnc(CC[N@@H+]2CC[C@H](F)C2)o1 930602465 674054659 /nfs/dbraw/zinc/05/46/59/674054659.db2.gz UDWBUDAASSHZIC-QMMMGPOBSA-N 1 1 199.229 0.964 10 0 ACAEMO Cc1nnc(CC[N@H+]2CC[C@H](F)C2)o1 930602465 674054660 /nfs/dbraw/zinc/05/46/60/674054660.db2.gz UDWBUDAASSHZIC-QMMMGPOBSA-N 1 1 199.229 0.964 10 0 ACAEMO C[C@H]1C[N@H+]([C@H](C)C2CC2)CC(=O)N1 930643759 674054799 /nfs/dbraw/zinc/05/47/99/674054799.db2.gz ZICBGBAHICHPDH-JGVFFNPUSA-N 1 1 182.267 0.605 10 0 ACAEMO C[C@]1(F)CCC[N@@H+](C[C@@H](O)CO)C1 930594931 674054851 /nfs/dbraw/zinc/05/48/51/674054851.db2.gz NDDIOQOXLFJVKE-BDAKNGLRSA-N 1 1 191.246 0.164 10 0 ACAEMO C[C@@H]1C[N@H+]([C@H](C)C2CC2)CC(=O)N1 930643756 674054873 /nfs/dbraw/zinc/05/48/73/674054873.db2.gz ZICBGBAHICHPDH-HTQZYQBOSA-N 1 1 182.267 0.605 10 0 ACAEMO F[C@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 930603682 674054928 /nfs/dbraw/zinc/05/49/28/674054928.db2.gz PTLVMYGXNFKDFV-DTWKUNHWSA-N 1 1 189.230 0.446 10 0 ACAEMO C[C@@]1(F)CCC[N@@H+](C[C@@H](O)CO)C1 930594966 674055257 /nfs/dbraw/zinc/05/52/57/674055257.db2.gz NDDIOQOXLFJVKE-RKDXNWHRSA-N 1 1 191.246 0.164 10 0 ACAEMO CC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 933760532 674055668 /nfs/dbraw/zinc/05/56/68/674055668.db2.gz UPMLZKAKHFARLJ-WPRPVWTQSA-N 1 1 182.267 0.594 10 0 ACAEMO CCC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 933748194 674055777 /nfs/dbraw/zinc/05/57/77/674055777.db2.gz 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185.271 0.398 10 0 ACAEMO O[C@H](C[N@@H+]1C[C@H]2COC[C@H]2C1)C1CC1 718335593 674061047 /nfs/dbraw/zinc/06/10/47/674061047.db2.gz BXJKCNVAOCZWFA-OUAUKWLOSA-N 1 1 197.278 0.336 10 0 ACAEMO CC(=O)CC[N@@H+]1C[C@H]2COC[C@H]2C1 718208352 674061182 /nfs/dbraw/zinc/06/11/82/674061182.db2.gz XLQJWFLIMCUIAD-AOOOYVTPSA-N 1 1 183.251 0.544 10 0 ACAEMO CC(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C 719373976 674064675 /nfs/dbraw/zinc/06/46/75/674064675.db2.gz PWRWEJFYKSZOER-RKDXNWHRSA-N 1 1 199.298 0.787 10 0 ACAEMO C[C@@H](O)CC[N@H+]1CCC[C@@H](O)[C@H]1C 718905256 674063513 /nfs/dbraw/zinc/06/35/13/674063513.db2.gz AWULGAPBEFIOQW-OPRDCNLKSA-N 1 1 187.283 0.603 10 0 ACAEMO CO[C@@H](C)C[N@H+]1CCC[C@@H](O)[C@H]1C 718905498 674063532 /nfs/dbraw/zinc/06/35/32/674063532.db2.gz HHTCPBPCAVIRTO-IVZWLZJFSA-N 1 1 187.283 0.867 10 0 ACAEMO FCC[N@H+]1CC[C@@H](C2OCCO2)C1 719056747 674063594 /nfs/dbraw/zinc/06/35/94/674063594.db2.gz FHBSLIIZRLKMAP-MRVPVSSYSA-N 1 1 189.230 0.651 10 0 ACAEMO 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/nfs/dbraw/zinc/06/72/22/674067222.db2.gz KCMAZGISJHRZCI-SNVBAGLBSA-N 1 1 183.251 0.876 10 0 ACAEMO C[N@@H+](CCO)C[C@@H]1C[C@H]2CCC[C@@H]2O1 720586694 674070715 /nfs/dbraw/zinc/07/07/15/674070715.db2.gz DBDDFEHUHXMUEP-VWYCJHECSA-N 1 1 199.294 0.868 10 0 ACAEMO Cc1conc1C[N@@H+]1CC[C@H](O)C1 720350886 674067463 /nfs/dbraw/zinc/06/74/63/674067463.db2.gz MILFYNCTBAIXIN-QMMMGPOBSA-N 1 1 182.223 0.550 10 0 ACAEMO Cc1conc1C[N@H+]1CC[C@H](O)C1 720350886 674067465 /nfs/dbraw/zinc/06/74/65/674067465.db2.gz MILFYNCTBAIXIN-QMMMGPOBSA-N 1 1 182.223 0.550 10 0 ACAEMO Cc1conc1C[NH2+]C(C)(C)CO 720343941 674067474 /nfs/dbraw/zinc/06/74/74/674067474.db2.gz DGDUVQDWBLTTMS-UHFFFAOYSA-N 1 1 184.239 0.844 10 0 ACAEMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCO 720347630 674067488 /nfs/dbraw/zinc/06/74/88/674067488.db2.gz KAWFEYAYYZXWHJ-UWVGGRQHSA-N 1 1 184.283 0.147 10 0 ACAEMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCO 720347630 674067490 /nfs/dbraw/zinc/06/74/90/674067490.db2.gz KAWFEYAYYZXWHJ-UWVGGRQHSA-N 1 1 184.283 0.147 10 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198.310 0.536 10 0 ACAEMO Cc1conc1C[N@@H+]1CCC[C@H]1CO 720354447 674068114 /nfs/dbraw/zinc/06/81/14/674068114.db2.gz DTJBKLLBYYHRFG-VIFPVBQESA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@H+]1CCC[C@H]1CO 720354447 674068115 /nfs/dbraw/zinc/06/81/15/674068115.db2.gz DTJBKLLBYYHRFG-VIFPVBQESA-N 1 1 196.250 0.940 10 0 ACAEMO C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C 720351675 674068133 /nfs/dbraw/zinc/06/81/33/674068133.db2.gz NCIYSRQJJPMKIS-DCAQKATOSA-N 1 1 198.310 0.536 10 0 ACAEMO Cc1conc1C[N@@H+]1CC[C@](C)(O)C1 720355661 674068150 /nfs/dbraw/zinc/06/81/50/674068150.db2.gz LQOCRFKSBVRKAD-JTQLQIEISA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@H+]1CC[C@](C)(O)C1 720355661 674068151 /nfs/dbraw/zinc/06/81/51/674068151.db2.gz LQOCRFKSBVRKAD-JTQLQIEISA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@@H+](C)C[C@@H](C)O 720352320 674068159 /nfs/dbraw/zinc/06/81/59/674068159.db2.gz CSVKNOAIRQCZMO-MRVPVSSYSA-N 1 1 184.239 0.796 10 0 ACAEMO Cc1conc1C[N@H+](C)C[C@@H](C)O 720352320 674068161 /nfs/dbraw/zinc/06/81/61/674068161.db2.gz CSVKNOAIRQCZMO-MRVPVSSYSA-N 1 1 184.239 0.796 10 0 ACAEMO Cc1conc1C[N@@H+]1CCC[C@@H]1CO 720354441 674068168 /nfs/dbraw/zinc/06/81/68/674068168.db2.gz DTJBKLLBYYHRFG-SECBINFHSA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@H+]1CCC[C@@H]1CO 720354441 674068169 /nfs/dbraw/zinc/06/81/69/674068169.db2.gz DTJBKLLBYYHRFG-SECBINFHSA-N 1 1 196.250 0.940 10 0 ACAEMO C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C 720351669 674068173 /nfs/dbraw/zinc/06/81/73/674068173.db2.gz NCIYSRQJJPMKIS-AXFHLTTASA-N 1 1 198.310 0.536 10 0 ACAEMO Cc1conc1C[N@@H+]1CCC[C@H](O)C1 720358043 674068198 /nfs/dbraw/zinc/06/81/98/674068198.db2.gz UFQBGUIQTVZLLW-VIFPVBQESA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@H+]1CCC[C@H](O)C1 720358043 674068200 /nfs/dbraw/zinc/06/82/00/674068200.db2.gz UFQBGUIQTVZLLW-VIFPVBQESA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@@H+](C)[C@H](C)CO 720352298 674068210 /nfs/dbraw/zinc/06/82/10/674068210.db2.gz BVWWZNJVFNTLIR-MRVPVSSYSA-N 1 1 184.239 0.796 10 0 ACAEMO Cc1conc1C[N@H+](C)[C@H](C)CO 720352298 674068212 /nfs/dbraw/zinc/06/82/12/674068212.db2.gz BVWWZNJVFNTLIR-MRVPVSSYSA-N 1 1 184.239 0.796 10 0 ACAEMO Cc1conc1C[N@@H+](C)[C@@H](C)CO 720352299 674068234 /nfs/dbraw/zinc/06/82/34/674068234.db2.gz BVWWZNJVFNTLIR-QMMMGPOBSA-N 1 1 184.239 0.796 10 0 ACAEMO Cc1conc1C[N@H+](C)[C@@H](C)CO 720352299 674068236 /nfs/dbraw/zinc/06/82/36/674068236.db2.gz BVWWZNJVFNTLIR-QMMMGPOBSA-N 1 1 184.239 0.796 10 0 ACAEMO C[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C 720351681 674068242 /nfs/dbraw/zinc/06/82/42/674068242.db2.gz NCIYSRQJJPMKIS-GARJFASQSA-N 1 1 198.310 0.536 10 0 ACAEMO Cc1conc1C[N@@H+]1CC[C@@](C)(O)C1 720355662 674068251 /nfs/dbraw/zinc/06/82/51/674068251.db2.gz LQOCRFKSBVRKAD-SNVBAGLBSA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@H+]1CC[C@@](C)(O)C1 720355662 674068253 /nfs/dbraw/zinc/06/82/53/674068253.db2.gz LQOCRFKSBVRKAD-SNVBAGLBSA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@@H+]1CC[C@@H](CO)C1 720359679 674068257 /nfs/dbraw/zinc/06/82/57/674068257.db2.gz YYEJWBPKRHMAHO-SECBINFHSA-N 1 1 196.250 0.797 10 0 ACAEMO Cc1conc1C[N@H+]1CC[C@@H](CO)C1 720359679 674068259 /nfs/dbraw/zinc/06/82/59/674068259.db2.gz YYEJWBPKRHMAHO-SECBINFHSA-N 1 1 196.250 0.797 10 0 ACAEMO CO[C@H](C)C[NH+]1CC(C)(O)C1 167431914 1169287191 /nfs/dbraw/zinc/28/71/91/1169287191.db2.gz AKHNQTILPIVJNG-SSDOTTSWSA-N 1 1 159.229 0.088 10 0 ACAEMO Cc1conc1C[NH+]1CCC(O)CC1 720355657 674068295 /nfs/dbraw/zinc/06/82/95/674068295.db2.gz LIFJGRHWKYKKOH-UHFFFAOYSA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@@H+]1CCC[C@@H](O)C1 720358036 674068317 /nfs/dbraw/zinc/06/83/17/674068317.db2.gz UFQBGUIQTVZLLW-SECBINFHSA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@H+]1CCC[C@@H](O)C1 720358036 674068318 /nfs/dbraw/zinc/06/83/18/674068318.db2.gz UFQBGUIQTVZLLW-SECBINFHSA-N 1 1 196.250 0.940 10 0 ACAEMO Cc1conc1C[N@H+](C)CCCO 720359628 674068331 /nfs/dbraw/zinc/06/83/31/674068331.db2.gz YEWYMQFLFFREBW-UHFFFAOYSA-N 1 1 184.239 0.797 10 0 ACAEMO Cc1conc1C[N@@H+](C)CCCO 720359628 674068332 /nfs/dbraw/zinc/06/83/32/674068332.db2.gz YEWYMQFLFFREBW-UHFFFAOYSA-N 1 1 184.239 0.797 10 0 ACAEMO Cc1conc1C[N@@H+]1CC[C@H](CO)C1 720359680 674068334 /nfs/dbraw/zinc/06/83/34/674068334.db2.gz YYEJWBPKRHMAHO-VIFPVBQESA-N 1 1 196.250 0.797 10 0 ACAEMO Cc1conc1C[N@H+]1CC[C@H](CO)C1 720359680 674068335 /nfs/dbraw/zinc/06/83/35/674068335.db2.gz YYEJWBPKRHMAHO-VIFPVBQESA-N 1 1 196.250 0.797 10 0 ACAEMO CO[C@@H](C)C[NH+]1CC(C)(O)C1 167431813 1169287536 /nfs/dbraw/zinc/28/75/36/1169287536.db2.gz AKHNQTILPIVJNG-ZETCQYMHSA-N 1 1 159.229 0.088 10 0 ACAEMO Cc1conc1C[N@H+]1C[C@H](O)C[C@@H]1C 720368743 674068675 /nfs/dbraw/zinc/06/86/75/674068675.db2.gz FWTIZFOLOPGSHP-DTWKUNHWSA-N 1 1 196.250 0.938 10 0 ACAEMO Cc1conc1C[N@@H+]1C[C@H](O)C[C@@H]1C 720368743 674068677 /nfs/dbraw/zinc/06/86/77/674068677.db2.gz FWTIZFOLOPGSHP-DTWKUNHWSA-N 1 1 196.250 0.938 10 0 ACAEMO Cc1conc1C[N@H+]1C[C@H](C)[C@@H](O)C1 720368778 674068749 /nfs/dbraw/zinc/06/87/49/674068749.db2.gz GSFUPZQVSBOJRS-XVKPBYJWSA-N 1 1 196.250 0.796 10 0 ACAEMO Cc1conc1C[N@@H+]1C[C@H](C)[C@@H](O)C1 720368778 674068751 /nfs/dbraw/zinc/06/87/51/674068751.db2.gz GSFUPZQVSBOJRS-XVKPBYJWSA-N 1 1 196.250 0.796 10 0 ACAEMO Cc1conc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 720368776 674068785 /nfs/dbraw/zinc/06/87/85/674068785.db2.gz GSFUPZQVSBOJRS-XCBNKYQSSA-N 1 1 196.250 0.796 10 0 ACAEMO Cc1conc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 720368776 674068789 /nfs/dbraw/zinc/06/87/89/674068789.db2.gz GSFUPZQVSBOJRS-XCBNKYQSSA-N 1 1 196.250 0.796 10 0 ACAEMO Cc1conc1C[N@H+]1C[C@@H](O)C[C@@H]1C 720368744 674068891 /nfs/dbraw/zinc/06/88/91/674068891.db2.gz FWTIZFOLOPGSHP-IUCAKERBSA-N 1 1 196.250 0.938 10 0 ACAEMO Cc1conc1C[N@@H+]1C[C@@H](O)C[C@@H]1C 720368744 674068894 /nfs/dbraw/zinc/06/88/94/674068894.db2.gz FWTIZFOLOPGSHP-IUCAKERBSA-N 1 1 196.250 0.938 10 0 ACAEMO Cc1cc(C[NH2+]C2CC(CO)C2)no1 720369141 674068917 /nfs/dbraw/zinc/06/89/17/674068917.db2.gz 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189.280 0.268 10 0 ACAEMO C[C@H]1CC[N@H+]1[C@@H]1CCS(=O)(=O)C1 1254330153 1169867545 /nfs/dbraw/zinc/86/75/45/1169867545.db2.gz KSFXYBKSQDMULG-JGVFFNPUSA-N 1 1 189.280 0.268 10 0 ACAEMO C[N@@H+]([C@H]1CCCOC1)C1(C)COC1 1254382141 1169869441 /nfs/dbraw/zinc/86/94/41/1169869441.db2.gz GRESKDVSONLGRZ-VIFPVBQESA-N 1 1 185.267 0.886 10 0 ACAEMO CN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCOC1 1254382904 1169869702 /nfs/dbraw/zinc/86/97/02/1169869702.db2.gz RRZVQUWAWIFLGM-VWYCJHECSA-N 1 1 196.294 0.554 10 0 ACAEMO C[N@@H+]([C@@H]1CCCOC1)C1(C)COC1 1254382140 1169875117 /nfs/dbraw/zinc/87/51/17/1169875117.db2.gz GRESKDVSONLGRZ-SECBINFHSA-N 1 1 185.267 0.886 10 0 ACAEMO C1COC[C@@H]([N@@H+]2C[C@@H]3C[C@H](C2)O3)C1 1254382915 1169876301 /nfs/dbraw/zinc/87/63/01/1169876301.db2.gz RYKNULPQEZAHNK-LPEHRKFASA-N 1 1 183.251 0.639 10 0 ACAEMO C1COC[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)O3)C1 1254382915 1169876313 /nfs/dbraw/zinc/87/63/13/1169876313.db2.gz RYKNULPQEZAHNK-LPEHRKFASA-N 1 1 183.251 0.639 10 0 ACAEMO 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OLGRYILHRDOTLP-IONNQARKSA-N 1 1 178.239 0.441 10 0 ACAEMO OC[C@@H]([NH2+]Cc1cnon1)C1CCC1 1328424206 1170263152 /nfs/dbraw/zinc/26/31/52/1170263152.db2.gz KBENSUGRNHIYIV-SECBINFHSA-N 1 1 197.238 0.320 10 0 ACAEMO CC[N@@H+](C)[C@@H](C)CNC(=O)C(F)F 1329369542 1170268605 /nfs/dbraw/zinc/26/86/05/1170268605.db2.gz CTZGXYNZPUYLCV-LURJTMIESA-N 1 1 194.225 0.708 10 0 ACAEMO CNC(=O)CCC[N@H+]1CC[C@@H]2C[C@@H]21 1329870754 1170273295 /nfs/dbraw/zinc/27/32/95/1170273295.db2.gz MKQGIHWRQLNLOP-BDAKNGLRSA-N 1 1 182.267 0.607 10 0 ACAEMO C[C@H](O[NH+]=C(N)[C@H]1C[C@@H]1C)C(N)=O 1329942787 1170273613 /nfs/dbraw/zinc/27/36/13/1170273613.db2.gz ZZKDAULNOYOOBU-ZLUOBGJFSA-N 1 1 185.227 0.015 10 0 ACAEMO C[C@H](O[NH+]=C(N)[C@@H]1C[C@@H]1C)C(N)=O 1329942775 1170273935 /nfs/dbraw/zinc/27/39/35/1170273935.db2.gz ZZKDAULNOYOOBU-HCWXCVPCSA-N 1 1 185.227 0.015 10 0 ACAEMO C[C@H](O[NH+]=C(N)[C@@H]1C[C@H]1C)C(N)=O 1329942777 1170274559 /nfs/dbraw/zinc/27/45/59/1170274559.db2.gz ZZKDAULNOYOOBU-NGJCXOISSA-N 1 1 185.227 0.015 10 0 ACAEMO C[C@H](O[NH+]=C(N)[C@H]1C[C@H]1C)C(N)=O 1329942785 1170275345 /nfs/dbraw/zinc/27/53/45/1170275345.db2.gz ZZKDAULNOYOOBU-SRQIZXRXSA-N 1 1 185.227 0.015 10 0 ACAEMO CNC(=O)CCC[N@H+]1CC[C@H]2C[C@H]21 1329870755 1170275626 /nfs/dbraw/zinc/27/56/26/1170275626.db2.gz MKQGIHWRQLNLOP-DTWKUNHWSA-N 1 1 182.267 0.607 10 0 ACAEMO C[C@@H](O)CC[N@H+]1CC[C@@]12CCOC2 1330544720 1170278762 /nfs/dbraw/zinc/27/87/62/1170278762.db2.gz JIPUZVQWHZYDHM-ZJUUUORDSA-N 1 1 185.267 0.622 10 0 ACAEMO C[C@H](O)CC[N@H+]1CC[C@@]12CCOC2 1330544714 1170279030 /nfs/dbraw/zinc/27/90/30/1170279030.db2.gz JIPUZVQWHZYDHM-UWVGGRQHSA-N 1 1 185.267 0.622 10 0 ACAEMO C[C@@H](O)CC[N@H+]1CC[C@]12CCOC2 1330544705 1170279081 /nfs/dbraw/zinc/27/90/81/1170279081.db2.gz JIPUZVQWHZYDHM-NXEZZACHSA-N 1 1 185.267 0.622 10 0 ACAEMO COC1(C[N@@H+](C)[C@@H](C)CO)CCC1 1330577406 1170279233 /nfs/dbraw/zinc/27/92/33/1170279233.db2.gz GOCYFMMPPCLYGI-VIFPVBQESA-N 1 1 187.283 0.868 10 0 ACAEMO 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CC[C@H](COC)[N@@H+](C)CCN 70624740 571700691 /nfs/dbraw/zinc/70/06/91/571700691.db2.gz APNYYKWIRNBJRJ-MRVPVSSYSA-N 1 1 160.261 0.302 10 0 ACAEMO Cc1nnc(C[NH2+][C@@H](C)C[C@@H](C)O)o1 235245480 571700730 /nfs/dbraw/zinc/70/07/30/571700730.db2.gz CHUWPPOFGKKKSQ-NKWVEPMBSA-N 1 1 199.254 0.627 10 0 ACAEMO CC[C@@H](COC)[NH2+]Cc1nc(C)no1 70624177 571700797 /nfs/dbraw/zinc/70/07/97/571700797.db2.gz BLWWGAGBVBXABY-QMMMGPOBSA-N 1 1 199.254 0.893 10 0 ACAEMO CC[C@]([NH3+])(COC)c1ncon1 70624800 571700858 /nfs/dbraw/zinc/70/08/58/571700858.db2.gz VVKYAXAZXAUTIY-ZETCQYMHSA-N 1 1 171.200 0.280 10 0 ACAEMO CCC[N@H+]1C[C@](C)(O)CNC[C@H]1C 250041186 571700866 /nfs/dbraw/zinc/70/08/66/571700866.db2.gz UNPAQTKVMNALMD-NXEZZACHSA-N 1 1 186.299 0.441 10 0 ACAEMO CCCN1C[C@](C)(O)C[NH2+]C[C@H]1C 250041186 571700867 /nfs/dbraw/zinc/70/08/67/571700867.db2.gz UNPAQTKVMNALMD-NXEZZACHSA-N 1 1 186.299 0.441 10 0 ACAEMO CC[C@](CN)(COC)[NH2+]C1CC1 70624608 571700908 /nfs/dbraw/zinc/70/09/08/571700908.db2.gz 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/nfs/dbraw/zinc/70/19/55/571701955.db2.gz VNEPXBDZTDBCLS-DTWKUNHWSA-N 1 1 172.272 0.444 10 0 ACAEMO c1ccc2c(c1)OCCN1CC[NH2+][C@@H]21 22876905 571701968 /nfs/dbraw/zinc/70/19/68/571701968.db2.gz GNWZFEPAZDEVHW-LLVKDONJSA-N 1 1 190.246 0.983 10 0 ACAEMO CN(C)[C@@H](CN)[C@H]1CCCC[NH2+]1 214012756 571702043 /nfs/dbraw/zinc/70/20/43/571702043.db2.gz XKVJOWKANZJSEB-BDAKNGLRSA-N 1 1 171.288 0.017 10 0 ACAEMO CN(C)[C@@H](CN)[C@@H]1CCCC[NH2+]1 214012640 571702062 /nfs/dbraw/zinc/70/20/62/571702062.db2.gz XKVJOWKANZJSEB-IUCAKERBSA-N 1 1 171.288 0.017 10 0 ACAEMO CC[C@@H](COC)N1CCC[NH2+]CC1 70624719 571702155 /nfs/dbraw/zinc/70/21/55/571702155.db2.gz GWJKNKGDRKVVKK-JTQLQIEISA-N 1 1 186.299 0.707 10 0 ACAEMO CN1CC[C@@H]([NH3+])[C@@H]1C1CCOCC1 712127525 571702242 /nfs/dbraw/zinc/70/22/42/571702242.db2.gz XRVSPFHTKCTGJA-ZJUUUORDSA-N 1 1 184.283 0.444 10 0 ACAEMO C[N@@H+]1CC[C@@H](N)[C@@H]1C1CCOCC1 712127525 571702234 /nfs/dbraw/zinc/70/22/34/571702234.db2.gz XRVSPFHTKCTGJA-ZJUUUORDSA-N 1 1 184.283 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181.191 0.548 10 0 ACAEMO CCc1n[nH]nc1C[C@@H]1CCC[NH2+]1 214247277 571740060 /nfs/dbraw/zinc/74/00/60/571740060.db2.gz CTGSXEWNUUGKLD-ZETCQYMHSA-N 1 1 180.255 0.662 10 0 ACAEMO CCc1[nH]nnc1C[C@@H]1CCC[NH2+]1 214247277 571740056 /nfs/dbraw/zinc/74/00/56/571740056.db2.gz CTGSXEWNUUGKLD-ZETCQYMHSA-N 1 1 180.255 0.662 10 0 ACAEMO COc1cnc(C(=O)[C@H](C)[NH3+])nc1 214260323 571740121 /nfs/dbraw/zinc/74/01/21/571740121.db2.gz CCSZLVRCGJEKJN-YFKPBYRVSA-N 1 1 181.195 0.015 10 0 ACAEMO Cc1cccnc1C[NH2+][C@@H](C)C(N)=O 70908825 571740293 /nfs/dbraw/zinc/74/02/93/571740293.db2.gz NHJDEQZZUJUPEZ-QMMMGPOBSA-N 1 1 193.250 0.353 10 0 ACAEMO C[NH2+][C@@H](C(N)=O)c1cnn(C(C)C)c1 234415676 571740389 /nfs/dbraw/zinc/74/03/89/571740389.db2.gz VFIOERPOJWOCNL-MRVPVSSYSA-N 1 1 196.254 0.210 10 0 ACAEMO COCC1=CCC[N@@H+](C)C1 140694728 571740413 /nfs/dbraw/zinc/74/04/13/571740413.db2.gz WVNPDIDLWAQRQP-UHFFFAOYSA-N 1 1 141.214 0.895 10 0 ACAEMO CCN(Cc1cnc[nH]1)[C@H]1CC[NH2+]C1 70900705 571740419 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219267426 571962648 /nfs/dbraw/zinc/96/26/48/571962648.db2.gz HGQXCSXHZYVEPQ-UWVGGRQHSA-N 1 1 186.299 0.441 10 0 ACAEMO CC(C)C[N@H+]1CCN[C@H](CCO)C1 219267120 571962739 /nfs/dbraw/zinc/96/27/39/571962739.db2.gz NYQWDQMZAWQXAT-SNVBAGLBSA-N 1 1 186.299 0.299 10 0 ACAEMO CC(C)CN1CC[NH2+][C@H](CCO)C1 219267120 571962740 /nfs/dbraw/zinc/96/27/40/571962740.db2.gz NYQWDQMZAWQXAT-SNVBAGLBSA-N 1 1 186.299 0.299 10 0 ACAEMO C[NH+](C)CCNC[C@H](O)c1ccco1 32009653 571962931 /nfs/dbraw/zinc/96/29/31/571962931.db2.gz GMMRPMXLDLJQFN-VIFPVBQESA-N 1 1 198.266 0.464 10 0 ACAEMO CO[C@H]1CC[N@@H+](CCC(C)=O)C1 234796222 571963034 /nfs/dbraw/zinc/96/30/34/571963034.db2.gz HQHIQPUEIMYIAP-VIFPVBQESA-N 1 1 171.240 0.686 10 0 ACAEMO Cc1nnc(C[NH2+]CC(C)(C)CO)o1 235802445 571963045 /nfs/dbraw/zinc/96/30/45/571963045.db2.gz POQKDIXXWUDQEX-UHFFFAOYSA-N 1 1 199.254 0.486 10 0 ACAEMO CO[C@H]1C[C@H]([NH2+]C[C@@H](C)N)C1(C)C 234799288 571963374 /nfs/dbraw/zinc/96/33/74/571963374.db2.gz QMAUAVKJVXLSPS-VGMNWLOBSA-N 1 1 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571990207 /nfs/dbraw/zinc/99/02/07/571990207.db2.gz UQRYEKWLXASHKU-UHFFFAOYSA-N 1 1 196.254 0.186 10 0 ACAEMO COCC[N@H+]1C[C@@H](C)NC[C@H]1C1CC1 68697756 571990918 /nfs/dbraw/zinc/99/09/18/571990918.db2.gz TUMYMSGEXOOWBF-KOLCDFICSA-N 1 1 198.310 0.705 10 0 ACAEMO CC(C)[N@H+]1C[C@H](C)O[C@](C)(O)C1 39104644 571990752 /nfs/dbraw/zinc/99/07/52/571990752.db2.gz BTRJTOGCLDLDJT-IUCAKERBSA-N 1 1 173.256 0.824 10 0 ACAEMO CCn1cc[nH+]c1N(C)CCCO 300860235 571991448 /nfs/dbraw/zinc/99/14/48/571991448.db2.gz VBVWZAABDOMZLO-UHFFFAOYSA-N 1 1 183.255 0.722 10 0 ACAEMO C[N@H+]1CCC[C@@H]1CNC1COC1 231359795 571991610 /nfs/dbraw/zinc/99/16/10/571991610.db2.gz FTLVMUCNVSQONA-SECBINFHSA-N 1 1 170.256 0.069 10 0 ACAEMO CN1CCC[C@@H]1C[NH2+]C1COC1 231359795 571991611 /nfs/dbraw/zinc/99/16/11/571991611.db2.gz FTLVMUCNVSQONA-SECBINFHSA-N 1 1 170.256 0.069 10 0 ACAEMO COCC[C@H](C)N[C@H]1CCC[NH2+]C1 81707379 571991696 /nfs/dbraw/zinc/99/16/96/571991696.db2.gz IFWPXTFHVUJANX-UWVGGRQHSA-N 1 1 186.299 0.753 10 0 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10 0 ACAEMO CNCC[NH2+][C@H]1C[C@H](OC)C1(C)C 234385617 571995539 /nfs/dbraw/zinc/99/55/39/571995539.db2.gz NJGATKDLIKUDFD-IUCAKERBSA-N 1 1 186.299 0.609 10 0 ACAEMO C[C@H]1CCC[C@@H]2CN(N)CC[N@@H+]12 39113667 571994520 /nfs/dbraw/zinc/99/45/20/571994520.db2.gz XKUCVPJYHNPKLB-DTWKUNHWSA-N 1 1 169.272 0.419 10 0 ACAEMO CCCc1nc(CC2C[NH2+]C2)n[nH]1 81767795 571994548 /nfs/dbraw/zinc/99/45/48/571994548.db2.gz QWGHHAXDSGBZFU-UHFFFAOYSA-N 1 1 180.255 0.519 10 0 ACAEMO CCCc1nnc(CC2C[NH2+]C2)[nH]1 81767795 571994549 /nfs/dbraw/zinc/99/45/49/571994549.db2.gz QWGHHAXDSGBZFU-UHFFFAOYSA-N 1 1 180.255 0.519 10 0 ACAEMO C[C@@H]1CCC[C@@H]2CN(N)CC[N@@H+]12 39113666 571994561 /nfs/dbraw/zinc/99/45/61/571994561.db2.gz XKUCVPJYHNPKLB-RKDXNWHRSA-N 1 1 169.272 0.419 10 0 ACAEMO C[C@H]1CCC[C@H]2CN(N)CC[N@@H+]12 39113665 571994614 /nfs/dbraw/zinc/99/46/14/571994614.db2.gz XKUCVPJYHNPKLB-IUCAKERBSA-N 1 1 169.272 0.419 10 0 ACAEMO CNCC[NH2+][C@@]1(C)CCO[C@H]1C 234385464 571994617 /nfs/dbraw/zinc/99/46/17/571994617.db2.gz LAPQQNSXRJXZDX-IUCAKERBSA-N 1 1 172.272 0.363 10 0 ACAEMO CNCC[NH2+][C@@]1(C)CCO[C@@H]1C 234385445 571994656 /nfs/dbraw/zinc/99/46/56/571994656.db2.gz LAPQQNSXRJXZDX-BDAKNGLRSA-N 1 1 172.272 0.363 10 0 ACAEMO [NH3+]Cc1noc(Cc2cocn2)n1 74304215 571994664 /nfs/dbraw/zinc/99/46/64/571994664.db2.gz SSTBHWOKTKWVLG-UHFFFAOYSA-N 1 1 180.167 0.107 10 0 ACAEMO [NH3+]Cc1nccc2[nH]c3nccn3c12 74279340 571994673 /nfs/dbraw/zinc/99/46/73/571994673.db2.gz ROSMGQJGHJBLNE-UHFFFAOYSA-N 1 1 187.206 0.669 10 0 ACAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1N 39113663 571994919 /nfs/dbraw/zinc/99/49/19/571994919.db2.gz BLZDNDZCHOKPLQ-DTWKUNHWSA-N 1 1 169.272 0.419 10 0 ACAEMO Cc1nccn1-c1cnc(C[NH3+])[nH]1 74307253 571995179 /nfs/dbraw/zinc/99/51/79/571995179.db2.gz CTBUADXSJYNSMM-UHFFFAOYSA-N 1 1 177.211 0.363 10 0 ACAEMO O[C@H]1CCOC[C@@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687772282 571995269 /nfs/dbraw/zinc/99/52/69/571995269.db2.gz GUJBVWJRNKYYFB-RCWTZXSCSA-N 1 1 197.278 0.621 10 0 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193.250 0.536 10 0 ACAEMO CSCC[NH2+][C@@H]1CNC[C@@H](C)C1 401871597 571996014 /nfs/dbraw/zinc/99/60/14/571996014.db2.gz LDZAFOBFVLPUAI-IUCAKERBSA-N 1 1 188.340 0.937 10 0 ACAEMO CC[C@H]1CC[C@@H]2CN(N)CC[N@H+]2C1 39114420 571996192 /nfs/dbraw/zinc/99/61/92/571996192.db2.gz NFYGDVKXBPJUEC-VHSXEESVSA-N 1 1 183.299 0.666 10 0 ACAEMO CC1(C)C[N@H+]2CCC[C@H]2C(=O)O1 39115939 571996207 /nfs/dbraw/zinc/99/62/07/571996207.db2.gz JVKDBCILUYMIRV-ZETCQYMHSA-N 1 1 169.224 0.786 10 0 ACAEMO CNCC[NH2+][C@H]1C[C@@H](OC)C1(C)C 234385601 571996257 /nfs/dbraw/zinc/99/62/57/571996257.db2.gz NJGATKDLIKUDFD-DTWKUNHWSA-N 1 1 186.299 0.609 10 0 ACAEMO CCC[C@H]([NH3+])[C@@]1(O)CCCN(C)C1 74279870 571996449 /nfs/dbraw/zinc/99/64/49/571996449.db2.gz WWESUINGOGZLAC-VHSXEESVSA-N 1 1 186.299 0.571 10 0 ACAEMO C[NH2+]Cc1nnc(N(C)CC(C)C)o1 234383786 571996494 /nfs/dbraw/zinc/99/64/94/571996494.db2.gz RAEIAHSXEKWNPT-UHFFFAOYSA-N 1 1 198.270 0.881 10 0 ACAEMO c1cc(C[NH2+]C[C@@]23COC[C@@H]2C3)[nH]n1 689254542 571996603 /nfs/dbraw/zinc/99/66/03/571996603.db2.gz AGZANXMVNSMYIA-WPRPVWTQSA-N 1 1 193.250 0.536 10 0 ACAEMO CNCC[NH2+][C@@H]1C[C@@H](OC)C1(C)C 234385368 571996546 /nfs/dbraw/zinc/99/65/46/571996546.db2.gz NJGATKDLIKUDFD-RKDXNWHRSA-N 1 1 186.299 0.609 10 0 ACAEMO C[C@H](O)C(C)(C)C[N@@H+](C)CCCO 300869046 571996593 /nfs/dbraw/zinc/99/65/93/571996593.db2.gz WUTKLWREVXVLNU-VIFPVBQESA-N 1 1 189.299 0.708 10 0 ACAEMO C[C@H]1CN(C(=O)N(C)C)CC[N@H+]1C 39115096 571997313 /nfs/dbraw/zinc/99/73/13/571997313.db2.gz GCONWMBEYLCIIX-QMMMGPOBSA-N 1 1 185.271 0.304 10 0 ACAEMO CC[C@H]1CC[C@H]2CN(N)CC[N@H+]2C1 39114422 571997481 /nfs/dbraw/zinc/99/74/81/571997481.db2.gz NFYGDVKXBPJUEC-UWVGGRQHSA-N 1 1 183.299 0.666 10 0 ACAEMO [NH3+]CC(=O)c1ncoc1-c1cn[nH]c1 74270698 571996875 /nfs/dbraw/zinc/99/68/75/571996875.db2.gz OKVZOZSUDYMQKJ-UHFFFAOYSA-N 1 1 192.178 0.206 10 0 ACAEMO CNCC[NH2+][C@]1(C)CCO[C@H]1C 234385679 571997016 /nfs/dbraw/zinc/99/70/16/571997016.db2.gz LAPQQNSXRJXZDX-DTWKUNHWSA-N 1 1 172.272 0.363 10 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572051966 /nfs/dbraw/zinc/05/19/66/572051966.db2.gz QBEQMIXROUWIGL-UHFFFAOYSA-N 1 1 150.185 0.335 10 0 ACAEMO C[NH2+][C@H](CCN(C)C)[C@H](C)COC 687705099 572052331 /nfs/dbraw/zinc/05/23/31/572052331.db2.gz FEKDKKLNSKPGGO-NXEZZACHSA-N 1 1 188.315 0.809 10 0 ACAEMO CC(C)[C@H]([NH3+])[C@H](N)C(C)C 34079943 572052278 /nfs/dbraw/zinc/05/22/78/572052278.db2.gz KQDYUNYMUMMKOL-OCAPTIKFSA-N 1 1 144.262 0.953 10 0 ACAEMO CC(C)[C@H](N)[C@H]([NH3+])C(C)C 34079943 572052282 /nfs/dbraw/zinc/05/22/82/572052282.db2.gz KQDYUNYMUMMKOL-OCAPTIKFSA-N 1 1 144.262 0.953 10 0 ACAEMO CC(C)[C@@H](N)[C@H]([NH3+])C(C)C 34079944 572052356 /nfs/dbraw/zinc/05/23/56/572052356.db2.gz KQDYUNYMUMMKOL-HTQZYQBOSA-N 1 1 144.262 0.953 10 0 ACAEMO CCOCC[N@@H+](CC)CCC(N)=O 82537645 572052378 /nfs/dbraw/zinc/05/23/78/572052378.db2.gz ZRDICERCPHPHJS-UHFFFAOYSA-N 1 1 188.271 0.220 10 0 ACAEMO CCN(CC)C[C@H]([NH3+])[C@H](C)COC 687705246 572052422 /nfs/dbraw/zinc/05/24/22/572052422.db2.gz ISXNTQJYJFHMTA-ZJUUUORDSA-N 1 1 188.315 0.938 10 0 ACAEMO CC[NH+](CC)C[C@H](N)[C@H](C)COC 687705246 572052426 /nfs/dbraw/zinc/05/24/26/572052426.db2.gz ISXNTQJYJFHMTA-ZJUUUORDSA-N 1 1 188.315 0.938 10 0 ACAEMO CCN(CC)C[C@@H]([NH3+])[C@@H](C)COC 687705245 572052539 /nfs/dbraw/zinc/05/25/39/572052539.db2.gz ISXNTQJYJFHMTA-VHSXEESVSA-N 1 1 188.315 0.938 10 0 ACAEMO CC[NH+](CC)C[C@@H](N)[C@@H](C)COC 687705245 572052541 /nfs/dbraw/zinc/05/25/41/572052541.db2.gz ISXNTQJYJFHMTA-VHSXEESVSA-N 1 1 188.315 0.938 10 0 ACAEMO CN(C)C(=O)[C@H]1[NH2+]CCc2occc21 34076324 572052549 /nfs/dbraw/zinc/05/25/49/572052549.db2.gz RWEVWLISAXJNLZ-VIFPVBQESA-N 1 1 194.234 0.555 10 0 ACAEMO C[NH2+][C@@H](CCN(C)C)[C@H](C)COC 687705107 572052551 /nfs/dbraw/zinc/05/25/51/572052551.db2.gz FEKDKKLNSKPGGO-ZJUUUORDSA-N 1 1 188.315 0.809 10 0 ACAEMO CCN(CC)C[C@@H]([NH3+])[C@H](C)COC 687705225 572052701 /nfs/dbraw/zinc/05/27/01/572052701.db2.gz ISXNTQJYJFHMTA-NXEZZACHSA-N 1 1 188.315 0.938 10 0 ACAEMO CC[NH+](CC)C[C@@H](N)[C@H](C)COC 687705225 572052703 /nfs/dbraw/zinc/05/27/03/572052703.db2.gz ISXNTQJYJFHMTA-NXEZZACHSA-N 1 1 188.315 0.938 10 0 ACAEMO COC[C@@H](C)[C@H]([NH3+])C(C)(C)N(C)C 687704970 572052790 /nfs/dbraw/zinc/05/27/90/572052790.db2.gz CVBOHKYBQOQTAS-BDAKNGLRSA-N 1 1 188.315 0.936 10 0 ACAEMO COC[C@H](C)[C@@H]([NH3+])C(C)(C)N(C)C 687704971 572052841 /nfs/dbraw/zinc/05/28/41/572052841.db2.gz CVBOHKYBQOQTAS-DTWKUNHWSA-N 1 1 188.315 0.936 10 0 ACAEMO C[NH2+][C@@H](CCN(C)C)[C@@H](C)COC 687705104 572053533 /nfs/dbraw/zinc/05/35/33/572053533.db2.gz FEKDKKLNSKPGGO-UWVGGRQHSA-N 1 1 188.315 0.809 10 0 ACAEMO CCN(CC)C[C@H]([NH3+])[C@@H](C)COC 687705244 572053569 /nfs/dbraw/zinc/05/35/69/572053569.db2.gz ISXNTQJYJFHMTA-UWVGGRQHSA-N 1 1 188.315 0.938 10 0 ACAEMO CC[NH+](CC)C[C@H](N)[C@@H](C)COC 687705244 572053571 /nfs/dbraw/zinc/05/35/71/572053571.db2.gz ISXNTQJYJFHMTA-UWVGGRQHSA-N 1 1 188.315 0.938 10 0 ACAEMO COC[C@@H](C)[C@@H]([NH3+])C(C)(C)N(C)C 687704975 572053580 /nfs/dbraw/zinc/05/35/80/572053580.db2.gz 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/nfs/dbraw/zinc/05/45/48/572054548.db2.gz YZGPZCBOFIMUNU-UHFFFAOYSA-N 1 1 186.299 0.836 10 0 ACAEMO C[C@@H](CC[NH3+])NCc1cncn1C 235088644 572054777 /nfs/dbraw/zinc/05/47/77/572054777.db2.gz USMFOCLMCKPBKR-QMMMGPOBSA-N 1 1 182.271 0.247 10 0 ACAEMO C[N@H+]1CCSC[C@H]1CO 34109498 572054590 /nfs/dbraw/zinc/05/45/90/572054590.db2.gz GFOJUZUYQKDSMA-ZCFIWIBFSA-N 1 1 147.243 0.026 10 0 ACAEMO C[C@H](O)CC[N@H+](C)CCN(C)C 82543149 572054688 /nfs/dbraw/zinc/05/46/88/572054688.db2.gz PFPVPMNYVHCLQG-VIFPVBQESA-N 1 1 174.288 0.251 10 0 ACAEMO C[C@H](O)CC[N@@H+](C)CCN(C)C 82543149 572054691 /nfs/dbraw/zinc/05/46/91/572054691.db2.gz PFPVPMNYVHCLQG-VIFPVBQESA-N 1 1 174.288 0.251 10 0 ACAEMO C[C@@H](O)CCN(C)CCC[NH+](C)C 82543190 572054741 /nfs/dbraw/zinc/05/47/41/572054741.db2.gz UFXJITTUPXCGHM-SNVBAGLBSA-N 1 1 188.315 0.641 10 0 ACAEMO C[C@@H](O)CC[N@H+](C)CCCN(C)C 82543190 572054743 /nfs/dbraw/zinc/05/47/43/572054743.db2.gz UFXJITTUPXCGHM-SNVBAGLBSA-N 1 1 188.315 0.641 10 0 ACAEMO 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CC[N@@H+](CC(C)C)[C@@H](C[NH3+])C(=O)[O-] 82775181 572109430 /nfs/dbraw/zinc/10/94/30/572109430.db2.gz IQNWDCGNBRULMT-QMMMGPOBSA-N 1 1 188.271 0.376 10 0 ACAEMO CCCC[N@@H+](CC)[C@@H](C[NH3+])C(=O)[O-] 82775144 572109489 /nfs/dbraw/zinc/10/94/89/572109489.db2.gz HKJQSDXTQUQBSV-QMMMGPOBSA-N 1 1 188.271 0.520 10 0 ACAEMO CCC[N@@H+](CC)[C@@H](CC[NH3+])C(=O)[O-] 82775568 572109544 /nfs/dbraw/zinc/10/95/44/572109544.db2.gz IPWNPIZSRKCLCQ-QMMMGPOBSA-N 1 1 188.271 0.520 10 0 ACAEMO COCCN(C)CCC(C)(C)[NH3+] 82773125 572109566 /nfs/dbraw/zinc/10/95/66/572109566.db2.gz FKYXEPXCXBUQCP-UHFFFAOYSA-N 1 1 174.288 0.692 10 0 ACAEMO CCC[N@@H+](C(C)C)[C@@H](C[NH3+])C(=O)[O-] 82775197 572109576 /nfs/dbraw/zinc/10/95/76/572109576.db2.gz QOIGGGNFWDUEQF-QMMMGPOBSA-N 1 1 188.271 0.519 10 0 ACAEMO CC[C@H](C)[C@H](C[NH3+])N1CCN(C)CC1 37227958 572109651 /nfs/dbraw/zinc/10/96/51/572109651.db2.gz LLJRRUYPWSKZKZ-QWRGUYRKSA-N 1 1 199.342 0.607 10 0 ACAEMO C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])C(=O)[O-] 82775331 572109670 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/nfs/dbraw/zinc/11/29/99/572112999.db2.gz DRSPXLAMZOYHTQ-APPZFPTMSA-N 1 1 188.271 0.519 10 0 ACAEMO CCCC[N@@H+]1CCCN(C)C[C@@H]1CN 219821770 572113145 /nfs/dbraw/zinc/11/31/45/572113145.db2.gz MMKFFTXHKKQQIX-NSHDSACASA-N 1 1 199.342 0.751 10 0 ACAEMO CCCC[N@H+]1CCCN(C)C[C@@H]1CN 219821770 572113146 /nfs/dbraw/zinc/11/31/46/572113146.db2.gz MMKFFTXHKKQQIX-NSHDSACASA-N 1 1 199.342 0.751 10 0 ACAEMO CC(=O)C[C@H](C)[N@@H+](CCO)C1CC1 82792524 572113300 /nfs/dbraw/zinc/11/33/00/572113300.db2.gz NFIRPSGFDRPFKL-QMMMGPOBSA-N 1 1 185.267 0.811 10 0 ACAEMO CC[C@H](C)[N@H+]1CCCN(C)[C@H](CN)C1 219820820 572113328 /nfs/dbraw/zinc/11/33/28/572113328.db2.gz REFREHSJSADDBT-WDEREUQCSA-N 1 1 199.342 0.750 10 0 ACAEMO C[N@H+](CC(N)=O)Cc1ccccc1N 37268063 572113348 /nfs/dbraw/zinc/11/33/48/572113348.db2.gz JTEKFNXZCIOCKK-UHFFFAOYSA-N 1 1 193.250 0.186 10 0 ACAEMO C[N@@H+](CC(N)=O)Cc1ccccc1N 37268063 572113351 /nfs/dbraw/zinc/11/33/51/572113351.db2.gz JTEKFNXZCIOCKK-UHFFFAOYSA-N 1 1 193.250 0.186 10 0 ACAEMO 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COCC[N@@H+]1CC[C@H](N)[C@@]1(C)C1CC1 711988078 572229698 /nfs/dbraw/zinc/22/96/98/572229698.db2.gz UYIAHLXTFOCTPR-WDEREUQCSA-N 1 1 198.310 0.835 10 0 ACAEMO COCC[N@H+]1CC[C@H](N)[C@@]1(C)C1CC1 711988078 572229699 /nfs/dbraw/zinc/22/96/99/572229699.db2.gz UYIAHLXTFOCTPR-WDEREUQCSA-N 1 1 198.310 0.835 10 0 ACAEMO COCCN1CC[C@H]([NH3+])[C@@]1(C)C1CC1 711988078 572229701 /nfs/dbraw/zinc/22/97/01/572229701.db2.gz UYIAHLXTFOCTPR-WDEREUQCSA-N 1 1 198.310 0.835 10 0 ACAEMO O[C@H](Cc1[nH]cc[nH+]1)C[C@@H]1CCCO1 83524689 572229727 /nfs/dbraw/zinc/22/97/27/572229727.db2.gz SEVLRKLAVFCTIJ-IUCAKERBSA-N 1 1 196.250 0.882 10 0 ACAEMO CC(C)[N@@H+](CCO)CC1(O)CCC1 687713412 572229765 /nfs/dbraw/zinc/22/97/65/572229765.db2.gz RCARKMQBHPLNOF-UHFFFAOYSA-N 1 1 187.283 0.604 10 0 ACAEMO OC[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1 687713419 572229802 /nfs/dbraw/zinc/22/98/02/572229802.db2.gz COIXFRKMXBPLSG-VHSXEESVSA-N 1 1 185.267 0.214 10 0 ACAEMO C[N@@H+](CCO)CCC[C@H]1CCCO1 83530568 572230163 /nfs/dbraw/zinc/23/01/63/572230163.db2.gz CTVWMBUCHOXKHZ-JTQLQIEISA-N 1 1 187.283 0.870 10 0 ACAEMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCCO 687713596 572231119 /nfs/dbraw/zinc/23/11/19/572231119.db2.gz GZPBRQLPZFXFBP-ZJUUUORDSA-N 1 1 187.283 0.604 10 0 ACAEMO OC1C[NH+](CCC[C@H]2CCCO2)C1 83530619 572230296 /nfs/dbraw/zinc/23/02/96/572230296.db2.gz CVNFWZWQBSXBGM-JTQLQIEISA-N 1 1 185.267 0.622 10 0 ACAEMO COC(=O)[C@H]([NH3+])CC[C@@H]1CCCO1 83527125 572230329 /nfs/dbraw/zinc/23/03/29/572230329.db2.gz GIKHACDKFLEDGV-JGVFFNPUSA-N 1 1 187.239 0.446 10 0 ACAEMO CN(CCC(N)=[NH2+])CC[C@@H]1CCCO1 83527218 572230346 /nfs/dbraw/zinc/23/03/46/572230346.db2.gz KECNHDIMQLYIEC-VIFPVBQESA-N 1 1 199.298 0.813 10 0 ACAEMO COC(=O)[C@H]([NH3+])CC[C@H]1CCCO1 83527127 572230458 /nfs/dbraw/zinc/23/04/58/572230458.db2.gz GIKHACDKFLEDGV-HTQZYQBOSA-N 1 1 187.239 0.446 10 0 ACAEMO OC1C[NH+](CCC[C@@H]2CCCO2)C1 83530620 572230645 /nfs/dbraw/zinc/23/06/45/572230645.db2.gz CVNFWZWQBSXBGM-SNVBAGLBSA-N 1 1 185.267 0.622 10 0 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NXESRDCGXTUFED-SNVBAGLBSA-N 1 1 186.299 0.692 10 0 ACAEMO C[C@H]1CCC[C@H](CO)[N@H+]1CCCO 687713595 572232232 /nfs/dbraw/zinc/23/22/32/572232232.db2.gz GZPBRQLPZFXFBP-VHSXEESVSA-N 1 1 187.283 0.604 10 0 ACAEMO COC(=O)[C@@H]([NH3+])CC[C@H]1CCCO1 83527128 572232246 /nfs/dbraw/zinc/23/22/46/572232246.db2.gz GIKHACDKFLEDGV-SFYZADRCSA-N 1 1 187.239 0.446 10 0 ACAEMO CC[C@@H](CC(N)=S)[N@@H+](C)CCO 37899330 572232320 /nfs/dbraw/zinc/23/23/20/572232320.db2.gz QVEAXOSXFOZSHE-ZETCQYMHSA-N 1 1 190.312 0.365 10 0 ACAEMO CN(C)CC[N@@H+](C)CC1(O)CCC1 687713707 572232446 /nfs/dbraw/zinc/23/24/46/572232446.db2.gz YQQCZNNLTLKVQX-UHFFFAOYSA-N 1 1 186.299 0.395 10 0 ACAEMO CN(CC[NH+](C)C)CC1(O)CCC1 687713707 572232449 /nfs/dbraw/zinc/23/24/49/572232449.db2.gz YQQCZNNLTLKVQX-UHFFFAOYSA-N 1 1 186.299 0.395 10 0 ACAEMO COCC1([N@@H+](C)CCCCO)CC1 687713618 572232561 /nfs/dbraw/zinc/23/25/61/572232561.db2.gz WXZFCKSRYLKKTE-UHFFFAOYSA-N 1 1 187.283 0.870 10 0 ACAEMO CC(C)(C)OC1C[NH+](CCCO)C1 687713597 572232571 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1 1 188.315 0.686 10 0 ACAEMO C[C@H]([NH2+][C@H](C)CCN(C)C)[C@@H](C)O 87129023 572372855 /nfs/dbraw/zinc/37/28/55/572372855.db2.gz RCJFYUGAIRWNIV-KXUCPTDWSA-N 1 1 188.315 0.686 10 0 ACAEMO C[C@H](C[NH3+])n1c[nH+]cc1C(=O)[O-] 76597216 572373007 /nfs/dbraw/zinc/37/30/07/572373007.db2.gz WQTQBCCCONXGSG-RXMQYKEDSA-N 1 1 169.184 0.101 10 0 ACAEMO Cc1cc(C[NH2+][C@H](C)[C@H](C)O)no1 87129224 572373061 /nfs/dbraw/zinc/37/30/61/572373061.db2.gz LKMGDXKSYQEROZ-SFYZADRCSA-N 1 1 184.239 0.842 10 0 ACAEMO C[C@@H](CCCO)[NH2+]CC(C)(C)N 308002675 572373683 /nfs/dbraw/zinc/37/36/83/572373683.db2.gz BQCZAHQDXYWDHL-QMMMGPOBSA-N 1 1 174.288 0.474 10 0 ACAEMO CO[C@H](C)C[N@@H+](C)[C@@H]1C[C@H]1CO 308002688 572373327 /nfs/dbraw/zinc/37/33/27/572373327.db2.gz BIZXZKFOAYDOOT-HRDYMLBCSA-N 1 1 173.256 0.334 10 0 ACAEMO Cc1cc(C[NH2+][C@H](C)[C@@H](C)O)no1 87129220 572373693 /nfs/dbraw/zinc/37/36/93/572373693.db2.gz LKMGDXKSYQEROZ-HTQZYQBOSA-N 1 1 184.239 0.842 10 0 ACAEMO Cc1cc(C[NH2+][C@@H](C)[C@H](C)O)no1 87129222 572373615 /nfs/dbraw/zinc/37/36/15/572373615.db2.gz LKMGDXKSYQEROZ-YUMQZZPRSA-N 1 1 184.239 0.842 10 0 ACAEMO CC(C)S(=O)(=O)CC[NH2+]CCF 307995525 572373633 /nfs/dbraw/zinc/37/36/33/572373633.db2.gz BQECSSVIGMOEJV-UHFFFAOYSA-N 1 1 197.275 0.369 10 0 ACAEMO CO[C@H](C)C[N@@H+](C)[C@@H]1C[C@@H]1CO 308002692 572373714 /nfs/dbraw/zinc/37/37/14/572373714.db2.gz BIZXZKFOAYDOOT-IWSPIJDZSA-N 1 1 173.256 0.334 10 0 ACAEMO CC[N@H+]1CCCN(C)[C@@H](CCO)C1 250318798 572373898 /nfs/dbraw/zinc/37/38/98/572373898.db2.gz MULKVKLOYFCFEA-JTQLQIEISA-N 1 1 186.299 0.395 10 0 ACAEMO C[C@@H](CO)[N@@H+](C)CC1CC(O)C1 307995547 572373776 /nfs/dbraw/zinc/37/37/76/572373776.db2.gz BSUHGRXEYWYPGK-UEJVZZJDSA-N 1 1 173.256 0.070 10 0 ACAEMO CCN1CCC[N@H+](C)[C@@H](CCO)C1 250318798 572373901 /nfs/dbraw/zinc/37/39/01/572373901.db2.gz MULKVKLOYFCFEA-JTQLQIEISA-N 1 1 186.299 0.395 10 0 ACAEMO CCN1CCC[N@@H+](C)[C@@H](CCO)C1 250318798 572373905 /nfs/dbraw/zinc/37/39/05/572373905.db2.gz MULKVKLOYFCFEA-JTQLQIEISA-N 1 1 186.299 0.395 10 0 ACAEMO C[C@H]([NH2+]C[C@@H](C)N)[C@H]1CCOC1 307996000 572374071 /nfs/dbraw/zinc/37/40/71/572374071.db2.gz BZGJRBSWLRWVTC-VGMNWLOBSA-N 1 1 172.272 0.348 10 0 ACAEMO CCN1CC(C)(C)N(C)C[C@H]1C[NH3+] 250318010 572374285 /nfs/dbraw/zinc/37/42/85/572374285.db2.gz MRNXBNVMSUIADX-SECBINFHSA-N 1 1 185.315 0.360 10 0 ACAEMO C[C@@H](CC[NH2+]CC[NH3+])CCC(=O)[O-] 83682169 572374582 /nfs/dbraw/zinc/37/45/82/572374582.db2.gz VJGQKALKFZAVAC-MRVPVSSYSA-N 1 1 188.271 0.426 10 0 ACAEMO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)O)no1 87129219 572374633 /nfs/dbraw/zinc/37/46/33/572374633.db2.gz LKMGDXKSYQEROZ-JGVFFNPUSA-N 1 1 184.239 0.842 10 0 ACAEMO C[C@H](CCCO)[NH2+]CC(C)(C)N 308002671 572375043 /nfs/dbraw/zinc/37/50/43/572375043.db2.gz BQCZAHQDXYWDHL-MRVPVSSYSA-N 1 1 174.288 0.474 10 0 ACAEMO C[C@@H](N)C[NH2+][C@H](C)[C@H]1CCOC1 307995999 572375686 /nfs/dbraw/zinc/37/56/86/572375686.db2.gz BZGJRBSWLRWVTC-HLTSFMKQSA-N 1 1 172.272 0.348 10 0 ACAEMO C[C@@H]1CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]12 76597085 572375207 /nfs/dbraw/zinc/37/52/07/572375207.db2.gz UASZRJYZYLPEOW-OPRDCNLKSA-N 1 1 168.284 0.936 10 0 ACAEMO CON(C)CCn1cc[nH+]c1C 308002613 572375319 /nfs/dbraw/zinc/37/53/19/572375319.db2.gz BAJZGVKUSSTBQH-UHFFFAOYSA-N 1 1 169.228 0.685 10 0 ACAEMO CO[C@H](C)C[N@@H+](C)[C@H]1C[C@@H]1CO 308002686 572375400 /nfs/dbraw/zinc/37/54/00/572375400.db2.gz BIZXZKFOAYDOOT-HLTSFMKQSA-N 1 1 173.256 0.334 10 0 ACAEMO CCn1c(O)cc(C)c(C[NH3+])c1=O 44250126 572375409 /nfs/dbraw/zinc/37/54/09/572375409.db2.gz DUCAIDJVNQCOAT-UHFFFAOYSA-N 1 1 182.223 0.341 10 0 ACAEMO C[C@H](CO)[N@@H+](C)CC1CC(O)C1 307995546 572375739 /nfs/dbraw/zinc/37/57/39/572375739.db2.gz BSUHGRXEYWYPGK-AFPNSQJFSA-N 1 1 173.256 0.070 10 0 ACAEMO C[NH2+]Cc1nnc(N[C@@H]2CC2(C)C)o1 234427956 572375825 /nfs/dbraw/zinc/37/58/25/572375825.db2.gz RMXICMRKXQTEEX-ZCFIWIBFSA-N 1 1 196.254 0.999 10 0 ACAEMO CO[C@H](C)C[N@@H+](C)[C@H]1C[C@H]1CO 308002695 572375828 /nfs/dbraw/zinc/37/58/28/572375828.db2.gz BIZXZKFOAYDOOT-VGMNWLOBSA-N 1 1 173.256 0.334 10 0 ACAEMO C[C@@H]1[C@@H](CC[NH3+])C(=O)CCN1C 76598133 572375850 /nfs/dbraw/zinc/37/58/50/572375850.db2.gz VALGZMLLCXXJIT-HTQZYQBOSA-N 1 1 170.256 0.245 10 0 ACAEMO c1ccc(CC[C@@H]2CNCC[NH2+]2)nc1 141076424 572376119 /nfs/dbraw/zinc/37/61/19/572376119.db2.gz PCLWLHVCTLOISA-LLVKDONJSA-N 1 1 191.278 0.576 10 0 ACAEMO Cc1cc([C@H]([NH3+])CC(N)=O)oc1C 44251401 572376190 /nfs/dbraw/zinc/37/61/90/572376190.db2.gz LVBYUIWBNVOHRL-SSDOTTSWSA-N 1 1 182.223 0.772 10 0 ACAEMO CN1CCC(=O)[C@@H](CC[NH3+])CC1 76598118 572376482 /nfs/dbraw/zinc/37/64/82/572376482.db2.gz FWLQOFZZOCOQEQ-QMMMGPOBSA-N 1 1 170.256 0.246 10 0 ACAEMO C[C@@H]1CC(=O)[C@@H](CC[NH3+])CN1C 76598126 572376769 /nfs/dbraw/zinc/37/67/69/572376769.db2.gz OABCCKADWQROPO-SFYZADRCSA-N 1 1 170.256 0.245 10 0 ACAEMO C[C@H](O)[C@@H](C)[N@@H+](C)CC1CC(O)C1 87137958 572376839 /nfs/dbraw/zinc/37/68/39/572376839.db2.gz VTIKPZXWUYYIMA-XHHQTKHESA-N 1 1 187.283 0.458 10 0 ACAEMO Cc1[nH]cnc1C[C@H](C)C[NH3+] 196777426 572376845 /nfs/dbraw/zinc/37/68/45/572376845.db2.gz DRPZPIOJHBREKH-LURJTMIESA-N 1 1 153.229 0.855 10 0 ACAEMO C[C@H]1[C@@H](CC[NH3+])C(=O)CCN1C 76598134 572376964 /nfs/dbraw/zinc/37/69/64/572376964.db2.gz VALGZMLLCXXJIT-JGVFFNPUSA-N 1 1 170.256 0.245 10 0 ACAEMO CC(C)[N@@H+](CCO)[C@@H](C)[C@@H](C)O 87137780 572377011 /nfs/dbraw/zinc/37/70/11/572377011.db2.gz NTMRNYYQSSSZSK-DTWKUNHWSA-N 1 1 175.272 0.458 10 0 ACAEMO CC[N@@H+](C[C@H](C)O)[C@H](C)[C@@H](C)O 308002976 572377042 /nfs/dbraw/zinc/37/70/42/572377042.db2.gz BTQDGJIHVCBOKF-DJLDLDEBSA-N 1 1 175.272 0.458 10 0 ACAEMO CC[N@H+](CC(=O)OC)[C@@H](C)[C@@H](C)O 87141466 572377096 /nfs/dbraw/zinc/37/70/96/572377096.db2.gz NVWQFKSEVSGBNP-JGVFFNPUSA-N 1 1 189.255 0.251 10 0 ACAEMO CC[N@@H+](CC(=O)OC)[C@@H](C)[C@@H](C)O 87141466 572377100 /nfs/dbraw/zinc/37/71/00/572377100.db2.gz NVWQFKSEVSGBNP-JGVFFNPUSA-N 1 1 189.255 0.251 10 0 ACAEMO [NH3+]Cc1nc2c(o1)CSCC2 76597977 572377103 /nfs/dbraw/zinc/37/71/03/572377103.db2.gz OHQLQNMKTVWGPT-UHFFFAOYSA-N 1 1 170.237 0.923 10 0 ACAEMO CC(C)[N@@H+](CCCO)[C@@H](C)[C@@H](C)O 87137794 572377252 /nfs/dbraw/zinc/37/72/52/572377252.db2.gz FFRQHRIQRHHUHH-VHSXEESVSA-N 1 1 189.299 0.849 10 0 ACAEMO CCC[N@@H+](CCO)[C@H](C)[C@@H](C)O 87137667 572377315 /nfs/dbraw/zinc/37/73/15/572377315.db2.gz PDCUHPCKJVKWND-RKDXNWHRSA-N 1 1 175.272 0.460 10 0 ACAEMO c1cc(CC[C@@H]2CNCC[NH2+]2)ccn1 141076862 572377335 /nfs/dbraw/zinc/37/73/35/572377335.db2.gz BSDOTSALCUAPAW-LLVKDONJSA-N 1 1 191.278 0.576 10 0 ACAEMO CCCC[N@@H+](CCO)[C@@H](C)[C@@H](C)O 87137708 572377344 /nfs/dbraw/zinc/37/73/44/572377344.db2.gz DWWJNEOKSYVSEK-VHSXEESVSA-N 1 1 189.299 0.850 10 0 ACAEMO CC[N@@H+](C[C@H](C)O)[C@H](C)[C@H](C)O 308002978 572377360 /nfs/dbraw/zinc/37/73/60/572377360.db2.gz BTQDGJIHVCBOKF-YIZRAAEISA-N 1 1 175.272 0.458 10 0 ACAEMO COC(=O)CC[N@@H+](C)[C@@H](C)[C@H](C)O 87141491 572377364 /nfs/dbraw/zinc/37/73/64/572377364.db2.gz SRGHCCCHQNIKSE-YUMQZZPRSA-N 1 1 189.255 0.251 10 0 ACAEMO C[C@@H]([C@@H](C)O)[N@@H+](C)CC1CC(O)C1 87137952 572377385 /nfs/dbraw/zinc/37/73/85/572377385.db2.gz VTIKPZXWUYYIMA-AFWXGSBKSA-N 1 1 187.283 0.458 10 0 ACAEMO Cc1[nH]cnc1C[C@@H](C)C[NH3+] 196777413 572378068 /nfs/dbraw/zinc/37/80/68/572378068.db2.gz DRPZPIOJHBREKH-ZCFIWIBFSA-N 1 1 153.229 0.855 10 0 ACAEMO C[C@H]1[C@H](CC[NH3+])C(=O)CCN1C 76598130 572377444 /nfs/dbraw/zinc/37/74/44/572377444.db2.gz VALGZMLLCXXJIT-YUMQZZPRSA-N 1 1 170.256 0.245 10 0 ACAEMO COC(=O)CC[N@@H+](C)[C@H](C)[C@H](C)O 87141494 572377467 /nfs/dbraw/zinc/37/74/67/572377467.db2.gz SRGHCCCHQNIKSE-SFYZADRCSA-N 1 1 189.255 0.251 10 0 ACAEMO C[C@@H]1[C@H](CC[NH3+])C(=O)CCN1C 76598129 572377470 /nfs/dbraw/zinc/37/74/70/572377470.db2.gz VALGZMLLCXXJIT-SFYZADRCSA-N 1 1 170.256 0.245 10 0 ACAEMO CC[N@@H+](C[C@H](C)O)[C@@H](C)[C@H](C)O 308002975 572377574 /nfs/dbraw/zinc/37/75/74/572377574.db2.gz BTQDGJIHVCBOKF-CIUDSAMLSA-N 1 1 175.272 0.458 10 0 ACAEMO C[C@@H](O)[C@@H](C)[N@@H+](C)CC1CC(O)C1 87137954 572377628 /nfs/dbraw/zinc/37/76/28/572377628.db2.gz 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/nfs/dbraw/zinc/47/58/28/572475828.db2.gz ARMCBPNQDXHAFL-SSDOTTSWSA-N 1 1 142.246 0.736 10 0 ACAEMO C[N@H+]1CC[C@H](CC[C@@H]([NH3+])C(=O)[O-])C1 250556840 572476070 /nfs/dbraw/zinc/47/60/70/572476070.db2.gz BGHISILQVPMNMR-JGVFFNPUSA-N 1 1 186.255 0.130 10 0 ACAEMO CCNC[C@@H](C)[NH2+]C(C)C 53493629 572476096 /nfs/dbraw/zinc/47/60/96/572476096.db2.gz USAREGDYALOVTB-MRVPVSSYSA-N 1 1 144.262 0.982 10 0 ACAEMO CC[NH2+]C[C@@H](C)NC(C)C 53493629 572476102 /nfs/dbraw/zinc/47/61/02/572476102.db2.gz USAREGDYALOVTB-MRVPVSSYSA-N 1 1 144.262 0.982 10 0 ACAEMO CCNC[C@H](C)[NH2+]CC 53493423 572476618 /nfs/dbraw/zinc/47/66/18/572476618.db2.gz VECZPMZNUKYYOJ-ZETCQYMHSA-N 1 1 130.235 0.594 10 0 ACAEMO [NH3+]C[C@@H](O)c1cnc(-c2ncco2)[nH]1 74247022 572476628 /nfs/dbraw/zinc/47/66/28/572476628.db2.gz DKUOVQGTSLJLPD-ZCFIWIBFSA-N 1 1 194.194 0.057 10 0 ACAEMO [NH3+][C@@H](c1cnco1)[C@@H](O)c1ncc[nH]1 74247018 572476645 /nfs/dbraw/zinc/47/66/45/572476645.db2.gz GQDQTGDWMQKXKA-NKWVEPMBSA-N 1 1 194.194 0.131 10 0 ACAEMO CCCN[C@@H](C)C[NH2+]C 53493529 572476709 /nfs/dbraw/zinc/47/67/09/572476709.db2.gz NMVLBZWHYMVKAT-ZETCQYMHSA-N 1 1 130.235 0.594 10 0 ACAEMO CCC[NH2+]C[C@H](C)NCC 53493339 572478638 /nfs/dbraw/zinc/47/86/38/572478638.db2.gz NCUSWAHQLOOUEA-QMMMGPOBSA-N 1 1 144.262 0.984 10 0 ACAEMO CN1CCCC[C@@H]1C[C@@H]([NH3+])CO 250559611 572476978 /nfs/dbraw/zinc/47/69/78/572476978.db2.gz BZFHZKYPUHDCLK-RKDXNWHRSA-N 1 1 172.272 0.180 10 0 ACAEMO C[N@@H+]1CCCC[C@@H]1C[C@@H](N)CO 250559611 572476985 /nfs/dbraw/zinc/47/69/85/572476985.db2.gz BZFHZKYPUHDCLK-RKDXNWHRSA-N 1 1 172.272 0.180 10 0 ACAEMO C[N@H+]1CCCC[C@@H]1C[C@@H](N)CO 250559611 572476992 /nfs/dbraw/zinc/47/69/92/572476992.db2.gz BZFHZKYPUHDCLK-RKDXNWHRSA-N 1 1 172.272 0.180 10 0 ACAEMO CCNC[C@H](C)[NH2+]C(C)C 53493631 572477000 /nfs/dbraw/zinc/47/70/00/572477000.db2.gz USAREGDYALOVTB-QMMMGPOBSA-N 1 1 144.262 0.982 10 0 ACAEMO CC[NH2+]C[C@H](C)NC(C)C 53493631 572477006 /nfs/dbraw/zinc/47/70/06/572477006.db2.gz USAREGDYALOVTB-QMMMGPOBSA-N 1 1 144.262 0.982 10 0 ACAEMO [NH3+][C@H](c1cnco1)[C@@H](O)c1ncc[nH]1 74247016 572477141 /nfs/dbraw/zinc/47/71/41/572477141.db2.gz GQDQTGDWMQKXKA-RNFRBKRXSA-N 1 1 194.194 0.131 10 0 ACAEMO CCC[C@@H](C[NH2+]C)N1CCN(C)CC1 83983974 572477352 /nfs/dbraw/zinc/47/73/52/572477352.db2.gz FGGJNKJWYOWRQY-NSHDSACASA-N 1 1 199.342 0.622 10 0 ACAEMO C[N@H+]1CC[C@@H](CC[C@@H]([NH3+])C(=O)[O-])C1 250556838 572477395 /nfs/dbraw/zinc/47/73/95/572477395.db2.gz BGHISILQVPMNMR-HTQZYQBOSA-N 1 1 186.255 0.130 10 0 ACAEMO CC[NH+](CC)[C@@H](C)CNCCOC 53485938 572477485 /nfs/dbraw/zinc/47/74/85/572477485.db2.gz BPXLVBYXHMRLHQ-JTQLQIEISA-N 1 1 188.315 0.953 10 0 ACAEMO CN1CCCC[C@H]1C[C@@H]([NH3+])CO 250559609 572477529 /nfs/dbraw/zinc/47/75/29/572477529.db2.gz BZFHZKYPUHDCLK-BDAKNGLRSA-N 1 1 172.272 0.180 10 0 ACAEMO C[N@@H+]1CCCC[C@H]1C[C@@H](N)CO 250559609 572477531 /nfs/dbraw/zinc/47/75/31/572477531.db2.gz BZFHZKYPUHDCLK-BDAKNGLRSA-N 1 1 172.272 0.180 10 0 ACAEMO C[N@H+]1CCCC[C@H]1C[C@@H](N)CO 250559609 572477534 /nfs/dbraw/zinc/47/75/34/572477534.db2.gz BZFHZKYPUHDCLK-BDAKNGLRSA-N 1 1 172.272 0.180 10 0 ACAEMO CO[C@H]1C[C@H]2CC(=O)CC[N@H+]2C1 141440081 572477659 /nfs/dbraw/zinc/47/76/59/572477659.db2.gz KMHIRUWGCPGPJQ-APPZFPTMSA-N 1 1 169.224 0.439 10 0 ACAEMO CN1CC[C@@H]([NH3+])[C@@H](Cc2cn[nH]c2)C1 250560148 572479918 /nfs/dbraw/zinc/47/99/18/572479918.db2.gz CGFLAYVXLXXOJF-VHSXEESVSA-N 1 1 194.282 0.231 10 0 ACAEMO [NH3+][C@H](c1cnco1)[C@H](O)c1ncc[nH]1 74247017 572477836 /nfs/dbraw/zinc/47/78/36/572477836.db2.gz GQDQTGDWMQKXKA-RQJHMYQMSA-N 1 1 194.194 0.131 10 0 ACAEMO C[N@H+]1CC[C@H](O)C[C@]12CCSC2 250556212 572477944 /nfs/dbraw/zinc/47/79/44/572477944.db2.gz BEONGUMPHRVECX-IUCAKERBSA-N 1 1 187.308 0.949 10 0 ACAEMO Cc1nc(C[NH2+]C[C@H]2CCOC2)no1 235932528 572478046 /nfs/dbraw/zinc/47/80/46/572478046.db2.gz MQCBKDODSNBNIQ-MRVPVSSYSA-N 1 1 197.238 0.504 10 0 ACAEMO CCOCCC[NH2+]C[C@@H](C)N 53490656 572478062 /nfs/dbraw/zinc/47/80/62/572478062.db2.gz FGTIXBTYRLGHCI-MRVPVSSYSA-N 1 1 160.261 0.350 10 0 ACAEMO CCC[NH2+]C[C@@H](C)NCC 53493337 572478167 /nfs/dbraw/zinc/47/81/67/572478167.db2.gz NCUSWAHQLOOUEA-MRVPVSSYSA-N 1 1 144.262 0.984 10 0 ACAEMO CCC[C@H](C[NH2+]C)N1CCN(C)CC1 83983975 572478169 /nfs/dbraw/zinc/47/81/69/572478169.db2.gz FGGJNKJWYOWRQY-LLVKDONJSA-N 1 1 199.342 0.622 10 0 ACAEMO CCC[C@H]([NH3+])CCN1CCN(C)CC1 83983966 572478198 /nfs/dbraw/zinc/47/81/98/572478198.db2.gz ZNWUJYJDBFKGIN-NSHDSACASA-N 1 1 199.342 0.751 10 0 ACAEMO CCC[NH2+][C@H](C)CNCC 53493534 572478546 /nfs/dbraw/zinc/47/85/46/572478546.db2.gz QMGUYNTVLUUDHM-MRVPVSSYSA-N 1 1 144.262 0.984 10 0 ACAEMO CCCN[C@H](C)C[NH2+]CC 53493534 572478548 /nfs/dbraw/zinc/47/85/48/572478548.db2.gz QMGUYNTVLUUDHM-MRVPVSSYSA-N 1 1 144.262 0.984 10 0 ACAEMO CCCN[C@H](C)C[NH2+]C 53493530 572478612 /nfs/dbraw/zinc/47/86/12/572478612.db2.gz NMVLBZWHYMVKAT-SSDOTTSWSA-N 1 1 130.235 0.594 10 0 ACAEMO COC[C@@H](C)CC[NH+]1CCNCC1 87421347 572478622 /nfs/dbraw/zinc/47/86/22/572478622.db2.gz DRCZQDCTHOLRMG-JTQLQIEISA-N 1 1 186.299 0.564 10 0 ACAEMO [NH3+]C[C@H](O)c1cnc(-c2ncco2)[nH]1 74247023 572478869 /nfs/dbraw/zinc/47/88/69/572478869.db2.gz DKUOVQGTSLJLPD-LURJTMIESA-N 1 1 194.194 0.057 10 0 ACAEMO CCNC[C@H](C)[NH2+]C1CC1 53493733 572478924 /nfs/dbraw/zinc/47/89/24/572478924.db2.gz ADPSTNYFEGHARA-ZETCQYMHSA-N 1 1 142.246 0.736 10 0 ACAEMO COC[C@H](C)CC[NH+]1CCNCC1 87421349 572478932 /nfs/dbraw/zinc/47/89/32/572478932.db2.gz DRCZQDCTHOLRMG-SNVBAGLBSA-N 1 1 186.299 0.564 10 0 ACAEMO C[N@H+]1CC[C@@H]([C@@H](N)c2cnoc2)C1 250570999 572479038 /nfs/dbraw/zinc/47/90/38/572479038.db2.gz DUSLZJOYJHEKJM-VXNVDRBHSA-N 1 1 181.239 0.626 10 0 ACAEMO CN1CC[C@@H]([C@@H]([NH3+])c2cnoc2)C1 250570999 572479040 /nfs/dbraw/zinc/47/90/40/572479040.db2.gz DUSLZJOYJHEKJM-VXNVDRBHSA-N 1 1 181.239 0.626 10 0 ACAEMO CCNC[C@@H](C)[NH2+]CC 53493421 572479047 /nfs/dbraw/zinc/47/90/47/572479047.db2.gz VECZPMZNUKYYOJ-SSDOTTSWSA-N 1 1 130.235 0.594 10 0 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250561716 572479550 /nfs/dbraw/zinc/47/95/50/572479550.db2.gz COQCWXGOUFSJBS-UWVGGRQHSA-N 1 1 191.278 0.686 10 0 ACAEMO CCOC(=O)Cc1nnc([C@@H](C)[NH3+])o1 238262888 572479681 /nfs/dbraw/zinc/47/96/81/572479681.db2.gz UFJSASLHXQXURT-RXMQYKEDSA-N 1 1 199.210 0.195 10 0 ACAEMO [NH3+]Cc1[nH]ncc1Cc1cscn1 74246309 572479868 /nfs/dbraw/zinc/47/98/68/572479868.db2.gz MRTQQLGJNGPUFX-UHFFFAOYSA-N 1 1 194.263 0.916 10 0 ACAEMO C[NH2+]Cc1nnc(CCCOC)o1 87438360 572480074 /nfs/dbraw/zinc/48/00/74/572480074.db2.gz DMYYYJLMBQDKLZ-UHFFFAOYSA-N 1 1 185.227 0.368 10 0 ACAEMO COCCCc1nnc([C@H](C)[NH3+])o1 87438351 572480099 /nfs/dbraw/zinc/48/00/99/572480099.db2.gz CTIQSYPRORIRCY-LURJTMIESA-N 1 1 185.227 0.668 10 0 ACAEMO CO[C@@H]1C[C@H]2CC(=O)CC[N@H+]2C1 141439884 572480102 /nfs/dbraw/zinc/48/01/02/572480102.db2.gz KMHIRUWGCPGPJQ-VXNVDRBHSA-N 1 1 169.224 0.439 10 0 ACAEMO C[N@@H+]1C[C@@H](N)C[C@H]1CC1CCOCC1 250561105 572480155 /nfs/dbraw/zinc/48/01/55/572480155.db2.gz CLXKTMMKWADZRT-WDEREUQCSA-N 1 1 198.310 0.835 10 0 ACAEMO C[N@H+]1C[C@@H](N)C[C@H]1CC1CCOCC1 250561105 572480158 /nfs/dbraw/zinc/48/01/58/572480158.db2.gz CLXKTMMKWADZRT-WDEREUQCSA-N 1 1 198.310 0.835 10 0 ACAEMO O=Cc1cc[nH]c1C[N@H+]1CC[C@H](O)C1 74246715 572480232 /nfs/dbraw/zinc/48/02/32/572480232.db2.gz UHAHXKBMHIZIID-VIFPVBQESA-N 1 1 194.234 0.394 10 0 ACAEMO O=Cc1cc[nH]c1C[N@@H+]1CC[C@H](O)C1 74246715 572480234 /nfs/dbraw/zinc/48/02/34/572480234.db2.gz UHAHXKBMHIZIID-VIFPVBQESA-N 1 1 194.234 0.394 10 0 ACAEMO C[NH2+][C@@H](C)c1nnc(CCCOC)o1 87438417 572480369 /nfs/dbraw/zinc/48/03/69/572480369.db2.gz HONMOUOIDXFJBE-ZETCQYMHSA-N 1 1 199.254 0.929 10 0 ACAEMO CN1C[C@H](N2CCCCC2)[C@H]([NH3+])C1 250577255 572480495 /nfs/dbraw/zinc/48/04/95/572480495.db2.gz FNFMLKCDSIBTDM-ZJUUUORDSA-N 1 1 183.299 0.114 10 0 ACAEMO CN1C[C@H]([NH3+])CC[C@@H]1[C@H]1CCOC1 250572003 572480512 /nfs/dbraw/zinc/48/05/12/572480512.db2.gz DYPHIQDIXFUQDK-IVZWLZJFSA-N 1 1 184.283 0.444 10 0 ACAEMO C[N@@H+]1C[C@H](N)CC[C@@H]1[C@H]1CCOC1 250572003 572480514 /nfs/dbraw/zinc/48/05/14/572480514.db2.gz DYPHIQDIXFUQDK-IVZWLZJFSA-N 1 1 184.283 0.444 10 0 ACAEMO C[N@H+]1C[C@H](N)CC[C@@H]1[C@H]1CCOC1 250572003 572480522 /nfs/dbraw/zinc/48/05/22/572480522.db2.gz DYPHIQDIXFUQDK-IVZWLZJFSA-N 1 1 184.283 0.444 10 0 ACAEMO CCOC[C@H](C)NCC(C)(C)[NH3+] 308041326 572480565 /nfs/dbraw/zinc/48/05/65/572480565.db2.gz NMVZLOGTLXJTMK-QMMMGPOBSA-N 1 1 174.288 0.738 10 0 ACAEMO CCOC[C@H](C)[NH2+]CC(C)(C)N 308041326 572480570 /nfs/dbraw/zinc/48/05/70/572480570.db2.gz NMVZLOGTLXJTMK-QMMMGPOBSA-N 1 1 174.288 0.738 10 0 ACAEMO CC[NH2+]Cc1nnc(CCCOC)o1 87438369 572480595 /nfs/dbraw/zinc/48/05/95/572480595.db2.gz UCOIZYAZBWOYMN-UHFFFAOYSA-N 1 1 199.254 0.758 10 0 ACAEMO CCOCCCc1nc(C[NH3+])no1 87437949 572480648 /nfs/dbraw/zinc/48/06/48/572480648.db2.gz QVBZMHYVGWDQNV-UHFFFAOYSA-N 1 1 185.227 0.497 10 0 ACAEMO COC[C@@H](C)Cc1nnc(C[NH3+])o1 87438316 572480733 /nfs/dbraw/zinc/48/07/33/572480733.db2.gz NKRZKUWEGLIORU-LURJTMIESA-N 1 1 185.227 0.353 10 0 ACAEMO 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0.064 10 0 ACAEMO CCC[N@@H+](CCO)[C@H](C)[C@@H](C)N 308118629 572776567 /nfs/dbraw/zinc/77/65/67/572776567.db2.gz NPJUUWSPFMUTFM-RKDXNWHRSA-N 1 1 174.288 0.426 10 0 ACAEMO CCCC[N@@H+](CC)CC[C@@H](O)CO 308118443 572776596 /nfs/dbraw/zinc/77/65/96/572776596.db2.gz BOLZNSSESOJIML-SNVBAGLBSA-N 1 1 189.299 0.852 10 0 ACAEMO CCC[N@@H+](CCO)[C@H](C)[C@@H](C)[NH3+] 308118629 572776556 /nfs/dbraw/zinc/77/65/56/572776556.db2.gz NPJUUWSPFMUTFM-RKDXNWHRSA-N 1 1 174.288 0.426 10 0 ACAEMO CCO[C@@H](C)CNCC(C)(C)[NH3+] 308117558 572777145 /nfs/dbraw/zinc/77/71/45/572777145.db2.gz NFZATDPSJHWBRA-QMMMGPOBSA-N 1 1 174.288 0.738 10 0 ACAEMO CCO[C@@H](C)C[NH2+]CC(C)(C)N 308117558 572777146 /nfs/dbraw/zinc/77/71/46/572777146.db2.gz NFZATDPSJHWBRA-QMMMGPOBSA-N 1 1 174.288 0.738 10 0 ACAEMO c1cnc(C[NH2+][C@H]2CCCOC2)nc1 71013179 572777215 /nfs/dbraw/zinc/77/72/15/572777215.db2.gz GPPMGZRPPCZKIF-VIFPVBQESA-N 1 1 193.250 0.745 10 0 ACAEMO OC1CC(CNC[C@@H]2CCCC[NH2+]2)C1 236477339 572777340 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/nfs/dbraw/zinc/78/57/86/572785786.db2.gz DBRWVYIVPTWCNU-SECBINFHSA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@@H](N)C[N@H+](C)CC1(O)CCCC1 308129877 572785790 /nfs/dbraw/zinc/78/57/90/572785790.db2.gz DBRWVYIVPTWCNU-SECBINFHSA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@@H](N)C[N@@H+](C)CC1(O)CCCC1 308129877 572785794 /nfs/dbraw/zinc/78/57/94/572785794.db2.gz DBRWVYIVPTWCNU-SECBINFHSA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@H]([NH3+])C[N@H+](C)CC1(O)CCCC1 308129878 572785823 /nfs/dbraw/zinc/78/58/23/572785823.db2.gz DBRWVYIVPTWCNU-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@H]([NH3+])C[N@@H+](C)CC1(O)CCCC1 308129878 572785827 /nfs/dbraw/zinc/78/58/27/572785827.db2.gz DBRWVYIVPTWCNU-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@H](N)C[N@H+](C)CC1(O)CCCC1 308129878 572785829 /nfs/dbraw/zinc/78/58/29/572785829.db2.gz DBRWVYIVPTWCNU-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@H](N)C[N@@H+](C)CC1(O)CCCC1 308129878 572785832 /nfs/dbraw/zinc/78/58/32/572785832.db2.gz DBRWVYIVPTWCNU-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO OCCCCCC[NH2+]C1CNC1 236494646 572786210 /nfs/dbraw/zinc/78/62/10/572786210.db2.gz QLFQYYZJHIKQOJ-UHFFFAOYSA-N 1 1 172.272 0.101 10 0 ACAEMO N[C@@H](C[NH2+]CCCF)CC(F)F 308131484 572786273 /nfs/dbraw/zinc/78/62/73/572786273.db2.gz XSYYWPRPZGIERE-ZCFIWIBFSA-N 1 1 184.205 0.918 10 0 ACAEMO C[C@H]1CC[N@@H+](CC[C@H](O)CO)C1 308131454 572786380 /nfs/dbraw/zinc/78/63/80/572786380.db2.gz XSMIPYMFZNENOJ-IUCAKERBSA-N 1 1 173.256 0.072 10 0 ACAEMO CC[C@](C)([C@H](C)O)[N@@H+](C)CCCO 308131236 572786523 /nfs/dbraw/zinc/78/65/23/572786523.db2.gz DXFDJCVNJPRICT-VHSXEESVSA-N 1 1 189.299 0.850 10 0 ACAEMO C[C@H]1CC[N@@H+](CC[C@@H](O)CO)C1 308131452 572786738 /nfs/dbraw/zinc/78/67/38/572786738.db2.gz XSMIPYMFZNENOJ-DTWKUNHWSA-N 1 1 173.256 0.072 10 0 ACAEMO CC[C@@H](C)[N@@H+](C)CC[C@H](O)CO 307932143 572787005 /nfs/dbraw/zinc/78/70/05/572787005.db2.gz ADDDVODFZLVOCE-BDAKNGLRSA-N 1 1 175.272 0.460 10 0 ACAEMO C=CC[N@@H+]1CCC[C@H](C(N)=O)C1 141596883 572787583 /nfs/dbraw/zinc/78/75/83/572787583.db2.gz SUKINIXONCGMIX-QMMMGPOBSA-N 1 1 168.240 0.370 10 0 ACAEMO CC[C@@](C)([C@H](C)O)[N@@H+](C)CCCO 308131234 572787712 /nfs/dbraw/zinc/78/77/12/572787712.db2.gz DXFDJCVNJPRICT-UWVGGRQHSA-N 1 1 189.299 0.850 10 0 ACAEMO CC[C@](C)([C@@H](C)O)[N@@H+](C)CCCO 308131232 572788002 /nfs/dbraw/zinc/78/80/02/572788002.db2.gz DXFDJCVNJPRICT-NXEZZACHSA-N 1 1 189.299 0.850 10 0 ACAEMO C/C=C/C[N@@H+](CC)CCOCCO 308131492 572788022 /nfs/dbraw/zinc/78/80/22/572788022.db2.gz FAZNOWWBGYBBJM-HWKANZROSA-N 1 1 187.283 0.893 10 0 ACAEMO C[C@@H]1CC[N@@H+](CC[C@@H](O)CO)C1 308131456 572788126 /nfs/dbraw/zinc/78/81/26/572788126.db2.gz XSMIPYMFZNENOJ-RKDXNWHRSA-N 1 1 173.256 0.072 10 0 ACAEMO N[C@H](C[NH2+]CCCF)CC(F)F 308131481 572788211 /nfs/dbraw/zinc/78/82/11/572788211.db2.gz XSYYWPRPZGIERE-LURJTMIESA-N 1 1 184.205 0.918 10 0 ACAEMO C/C=C\C[N@@H+](CC)CCOCCO 308131493 572788872 /nfs/dbraw/zinc/78/88/72/572788872.db2.gz FAZNOWWBGYBBJM-HYXAFXHYSA-N 1 1 187.283 0.893 10 0 ACAEMO CC[S@](=[NH2+])CC[C@H]([NH3+])C(=O)[O-] 307767145 572788987 /nfs/dbraw/zinc/78/89/87/572788987.db2.gz AVVCUVFAUXHETJ-DYEAUMGKSA-N 1 1 178.257 0.189 10 0 ACAEMO CC[C@@](C)([C@@H](C)O)[N@@H+](C)CCCO 308131237 572789211 /nfs/dbraw/zinc/78/92/11/572789211.db2.gz DXFDJCVNJPRICT-ZJUUUORDSA-N 1 1 189.299 0.850 10 0 ACAEMO CC(=O)CC[N@H+]1CC[C@@](C)(C(N)=O)C1 232561635 572789249 /nfs/dbraw/zinc/78/92/49/572789249.db2.gz XLFDSNOYQMFEGG-SNVBAGLBSA-N 1 1 198.266 0.163 10 0 ACAEMO Cc1nnc(C[NH2+]C(C)C)o1 49633212 572789617 /nfs/dbraw/zinc/78/96/17/572789617.db2.gz ZHIYIGKNDYIXQA-UHFFFAOYSA-N 1 1 155.201 0.876 10 0 ACAEMO CC[S@@](=[NH2+])CC[C@H]([NH3+])C(=O)[O-] 307767147 572789742 /nfs/dbraw/zinc/78/97/42/572789742.db2.gz AVVCUVFAUXHETJ-ULHQUTTKSA-N 1 1 178.257 0.189 10 0 ACAEMO CO[C@H]1CC[N@H+](C2(C[NH3+])CCC2)C1 234844133 572789802 /nfs/dbraw/zinc/78/98/02/572789802.db2.gz RYCUXMYFDWBWSS-VIFPVBQESA-N 1 1 184.283 0.589 10 0 ACAEMO CO[C@H]1CC[N@@H+](C2(CN)CCC2)C1 234844133 572789807 /nfs/dbraw/zinc/78/98/07/572789807.db2.gz RYCUXMYFDWBWSS-VIFPVBQESA-N 1 1 184.283 0.589 10 0 ACAEMO CO[C@H]1CC[N@H+](C2(CN)CCC2)C1 234844133 572789811 /nfs/dbraw/zinc/78/98/11/572789811.db2.gz RYCUXMYFDWBWSS-VIFPVBQESA-N 1 1 184.283 0.589 10 0 ACAEMO CCC[N@@H+](CC[C@@H](O)CO)C1CC1 308131660 572790194 /nfs/dbraw/zinc/79/01/94/572790194.db2.gz JRANLGWPRDNHNH-SNVBAGLBSA-N 1 1 187.283 0.604 10 0 ACAEMO COC1CN(C[C@H](C)CCC[NH3+])C1 308127762 572790384 /nfs/dbraw/zinc/79/03/84/572790384.db2.gz BYLWYGQXTVPVBS-SECBINFHSA-N 1 1 186.299 0.692 10 0 ACAEMO [NH3+]CCCO[P@@H](=O)OC(F)F 307767431 572790551 /nfs/dbraw/zinc/79/05/51/572790551.db2.gz BGQCFXZXFHYBPP-UHFFFAOYSA-N 1 1 189.098 0.981 10 0 ACAEMO CCC[N@@H+](CC[C@H](O)CO)C1CC1 308131659 572790650 /nfs/dbraw/zinc/79/06/50/572790650.db2.gz JRANLGWPRDNHNH-JTQLQIEISA-N 1 1 187.283 0.604 10 0 ACAEMO Cc1cn[nH]c1CN[C@@H](C)C[NH3+] 308131844 572790746 /nfs/dbraw/zinc/79/07/46/572790746.db2.gz XXIZSDFOLYYSRS-ZETCQYMHSA-N 1 1 168.244 0.155 10 0 ACAEMO OCCCCNC[C@H]1CCCC[NH2+]1 236498698 572790777 /nfs/dbraw/zinc/79/07/77/572790777.db2.gz RXMNMNAAEHMTTF-SNVBAGLBSA-N 1 1 186.299 0.491 10 0 ACAEMO CO[C@H]1CC[N@H+](C2(C[NH3+])CCCC2)C1 234844174 572791262 /nfs/dbraw/zinc/79/12/62/572791262.db2.gz NRTCVGATSWJEQV-JTQLQIEISA-N 1 1 198.310 0.979 10 0 ACAEMO CO[C@H]1CC[N@@H+](C2(CN)CCCC2)C1 234844174 572791266 /nfs/dbraw/zinc/79/12/66/572791266.db2.gz NRTCVGATSWJEQV-JTQLQIEISA-N 1 1 198.310 0.979 10 0 ACAEMO CO[C@H]1CC[N@H+](C2(CN)CCCC2)C1 234844174 572791270 /nfs/dbraw/zinc/79/12/70/572791270.db2.gz NRTCVGATSWJEQV-JTQLQIEISA-N 1 1 198.310 0.979 10 0 ACAEMO COC1CN(CC(C)(C)CC[NH3+])C1 308131903 572791496 /nfs/dbraw/zinc/79/14/96/572791496.db2.gz FIBBQBUEIFOCNG-UHFFFAOYSA-N 1 1 186.299 0.692 10 0 ACAEMO COC1CN(C[C@@H](C)CCC[NH3+])C1 308127763 572791849 /nfs/dbraw/zinc/79/18/49/572791849.db2.gz BYLWYGQXTVPVBS-VIFPVBQESA-N 1 1 186.299 0.692 10 0 ACAEMO CO[C@@H]1CC[N@@H+](C2(C[NH3+])CCC2)C1 234846748 572792205 /nfs/dbraw/zinc/79/22/05/572792205.db2.gz RYCUXMYFDWBWSS-SECBINFHSA-N 1 1 184.283 0.589 10 0 ACAEMO CO[C@@H]1CC[N@@H+](C2(CN)CCC2)C1 234846748 572792214 /nfs/dbraw/zinc/79/22/14/572792214.db2.gz RYCUXMYFDWBWSS-SECBINFHSA-N 1 1 184.283 0.589 10 0 ACAEMO CO[C@@H]1CC[N@H+](C2(CN)CCC2)C1 234846748 572792219 /nfs/dbraw/zinc/79/22/19/572792219.db2.gz RYCUXMYFDWBWSS-SECBINFHSA-N 1 1 184.283 0.589 10 0 ACAEMO CC[C@@H](O)C[N@@H+](CC)C[C@H](C)O 307934256 572792369 /nfs/dbraw/zinc/79/23/69/572792369.db2.gz FOYXDUZLHTUVBS-DTWKUNHWSA-N 1 1 175.272 0.460 10 0 ACAEMO CC(C)[N@H+]1CCNC[C@@H](C)C1 49660807 572792728 /nfs/dbraw/zinc/79/27/28/572792728.db2.gz PGJNXGQWHSBWPQ-SECBINFHSA-N 1 1 156.273 0.936 10 0 ACAEMO CC(C)N1CC[NH2+]C[C@@H](C)C1 49660807 572792730 /nfs/dbraw/zinc/79/27/30/572792730.db2.gz PGJNXGQWHSBWPQ-SECBINFHSA-N 1 1 156.273 0.936 10 0 ACAEMO CC[C@H](O)C[N@@H+](CC)C[C@H](C)O 307934257 572793055 /nfs/dbraw/zinc/79/30/55/572793055.db2.gz FOYXDUZLHTUVBS-IUCAKERBSA-N 1 1 175.272 0.460 10 0 ACAEMO CC(C)[N@H+](C)C[C@H](O)CC[C@@H](C)O 308132222 572793165 /nfs/dbraw/zinc/79/31/65/572793165.db2.gz KJVAWWGGDQQHKV-NXEZZACHSA-N 1 1 189.299 0.849 10 0 ACAEMO C[C@@H]1CNCC[N@@H+](CC2CC2)C1 49660763 572793756 /nfs/dbraw/zinc/79/37/56/572793756.db2.gz CQDWITWFGDRZPY-SECBINFHSA-N 1 1 168.284 0.938 10 0 ACAEMO C[C@@H]1C[NH2+]CCN(CC2CC2)C1 49660763 572793758 /nfs/dbraw/zinc/79/37/58/572793758.db2.gz CQDWITWFGDRZPY-SECBINFHSA-N 1 1 168.284 0.938 10 0 ACAEMO CC(C)[C@H](C)NC(=O)C[NH2+]CCF 308128508 572793646 /nfs/dbraw/zinc/79/36/46/572793646.db2.gz AUKCGGGAZPICEQ-QMMMGPOBSA-N 1 1 190.262 0.706 10 0 ACAEMO CCC[N@H+]1CCNC[C@@H](C)C1 49661555 572793690 /nfs/dbraw/zinc/79/36/90/572793690.db2.gz LZJVLATVXSTOIC-SECBINFHSA-N 1 1 156.273 0.938 10 0 ACAEMO CCCN1CC[NH2+]C[C@@H](C)C1 49661555 572793695 /nfs/dbraw/zinc/79/36/95/572793695.db2.gz LZJVLATVXSTOIC-SECBINFHSA-N 1 1 156.273 0.938 10 0 ACAEMO COC(=O)[C@H](O)C[N@@H+](C)C1CCC1 308132253 572794153 /nfs/dbraw/zinc/79/41/53/572794153.db2.gz KLFQLFSHYNMVPC-MRVPVSSYSA-N 1 1 187.239 0.005 10 0 ACAEMO CC(C)[N@H+](C)C[C@@H](O)CC[C@@H](C)O 308132227 572794394 /nfs/dbraw/zinc/79/43/94/572794394.db2.gz KJVAWWGGDQQHKV-ZJUUUORDSA-N 1 1 189.299 0.849 10 0 ACAEMO C[C@@H]1CC[N@@H+](CCC[NH3+])[C@H]1C(=O)[O-] 299911653 572794500 /nfs/dbraw/zinc/79/45/00/572794500.db2.gz OHDHTMANNVMFSZ-HTQZYQBOSA-N 1 1 186.255 0.130 10 0 ACAEMO CCC[N@H+]1CCNC[C@H](C)C1 49661554 572794517 /nfs/dbraw/zinc/79/45/17/572794517.db2.gz LZJVLATVXSTOIC-VIFPVBQESA-N 1 1 156.273 0.938 10 0 ACAEMO CCCN1CC[NH2+]C[C@H](C)C1 49661554 572794523 /nfs/dbraw/zinc/79/45/23/572794523.db2.gz LZJVLATVXSTOIC-VIFPVBQESA-N 1 1 156.273 0.938 10 0 ACAEMO FC(F)(F)[C@@H]1C[NH2+]CN1 117879498 572794922 /nfs/dbraw/zinc/79/49/22/572794922.db2.gz CJDWFFFEFMOWQC-VKHMYHEASA-N 1 1 140.108 0.068 10 0 ACAEMO CC(C)[N@H+]1CCNC[C@H](C)C1 49660808 572795072 /nfs/dbraw/zinc/79/50/72/572795072.db2.gz PGJNXGQWHSBWPQ-VIFPVBQESA-N 1 1 156.273 0.936 10 0 ACAEMO CC(C)N1CC[NH2+]C[C@H](C)C1 49660808 572795075 /nfs/dbraw/zinc/79/50/75/572795075.db2.gz PGJNXGQWHSBWPQ-VIFPVBQESA-N 1 1 156.273 0.936 10 0 ACAEMO OCCCCN[C@@H]1CCC[NH2+]C1 236503664 572795165 /nfs/dbraw/zinc/79/51/65/572795165.db2.gz LYPWFWGHXWMANS-SECBINFHSA-N 1 1 172.272 0.101 10 0 ACAEMO C[C@H]1CC[N@@H+](CCC[NH3+])[C@H]1C(=O)[O-] 299911655 572795657 /nfs/dbraw/zinc/79/56/57/572795657.db2.gz OHDHTMANNVMFSZ-JGVFFNPUSA-N 1 1 186.255 0.130 10 0 ACAEMO CO[C@@H]1CC[N@H+](C2(C[NH3+])CCCC2)C1 234846785 572795938 /nfs/dbraw/zinc/79/59/38/572795938.db2.gz NRTCVGATSWJEQV-SNVBAGLBSA-N 1 1 198.310 0.979 10 0 ACAEMO CO[C@@H]1CC[N@@H+](C2(CN)CCCC2)C1 234846785 572795943 /nfs/dbraw/zinc/79/59/43/572795943.db2.gz NRTCVGATSWJEQV-SNVBAGLBSA-N 1 1 198.310 0.979 10 0 ACAEMO CO[C@@H]1CC[N@H+](C2(CN)CCCC2)C1 234846785 572795946 /nfs/dbraw/zinc/79/59/46/572795946.db2.gz NRTCVGATSWJEQV-SNVBAGLBSA-N 1 1 198.310 0.979 10 0 ACAEMO C[N@H+]1C[C@H](O)CC1(C)C 141685625 572796363 /nfs/dbraw/zinc/79/63/63/572796363.db2.gz GZKDHUJUQIPRRT-ZCFIWIBFSA-N 1 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572816015 /nfs/dbraw/zinc/81/60/15/572816015.db2.gz CDNCGGOEYJIYBV-GSVOUGTGSA-N 1 1 185.256 0.530 10 0 ACAEMO Cc1n[nH]c(S[C@H](C)C(N)=[NH2+])n1 49832655 572816018 /nfs/dbraw/zinc/81/60/18/572816018.db2.gz CDNCGGOEYJIYBV-GSVOUGTGSA-N 1 1 185.256 0.530 10 0 ACAEMO C[C@H](N)[C@H](C)[NH2+]CC[C@@H]1CCCO1 308134668 572816126 /nfs/dbraw/zinc/81/61/26/572816126.db2.gz NBRCOBRHKZMNJE-GUBZILKMSA-N 1 1 186.299 0.881 10 0 ACAEMO CN(C)Cc1cc(C(=O)C[NH3+])cn1C 75122635 572816139 /nfs/dbraw/zinc/81/61/39/572816139.db2.gz ABQOGHCGIDLGDH-UHFFFAOYSA-N 1 1 195.266 0.228 10 0 ACAEMO CC[C@@H](C)C[N@@H+](C)CC[C@@H](O)CO 308134731 572816148 /nfs/dbraw/zinc/81/61/48/572816148.db2.gz NHKKSHAPHAKFOB-NXEZZACHSA-N 1 1 189.299 0.708 10 0 ACAEMO Cc1ncc(-c2nn[nH]c2C[NH3+])s1 75122329 572816238 /nfs/dbraw/zinc/81/62/38/572816238.db2.gz WZSKIFZFQNMHSC-UHFFFAOYSA-N 1 1 195.251 0.695 10 0 ACAEMO CC[C@H](C)C[N@@H+](C)CC[C@@H](O)CO 308134733 572816244 /nfs/dbraw/zinc/81/62/44/572816244.db2.gz NHKKSHAPHAKFOB-VHSXEESVSA-N 1 1 189.299 0.708 10 0 ACAEMO CCCn1cc([C@@H](N)C[NH+](C)C)cn1 85798493 572816383 /nfs/dbraw/zinc/81/63/83/572816383.db2.gz SDYONBRJPPMRBX-JTQLQIEISA-N 1 1 196.298 0.855 10 0 ACAEMO CCCn1nccc1[C@@H]([NH3+])CN(C)C 85798140 572816415 /nfs/dbraw/zinc/81/64/15/572816415.db2.gz FWXWAQMPSCGCGH-VIFPVBQESA-N 1 1 196.298 0.855 10 0 ACAEMO C[NH+](C)C[C@@H](N)Cc1ccncc1 85798550 572816438 /nfs/dbraw/zinc/81/64/38/572816438.db2.gz OZBYOZHRXHEFAZ-JTQLQIEISA-N 1 1 179.267 0.513 10 0 ACAEMO C[NH+](C)C[C@@H](N)Cc1cccnc1N 85798168 572816505 /nfs/dbraw/zinc/81/65/05/572816505.db2.gz HGEVRHLNYJWIKW-VIFPVBQESA-N 1 1 194.282 0.095 10 0 ACAEMO CC[C@@H](O)C[N@@H+](C)[C@@H]1CCO[C@H]1C 308135881 572817697 /nfs/dbraw/zinc/81/76/97/572817697.db2.gz IDHHWLFZWGMYQC-IVZWLZJFSA-N 1 1 187.283 0.867 10 0 ACAEMO Cc1nc(C[C@@H](N)C[NH+](C)C)cs1 85798262 572816536 /nfs/dbraw/zinc/81/65/36/572816536.db2.gz QTTSBAKYPWJMQH-MRVPVSSYSA-N 1 1 199.323 0.883 10 0 ACAEMO C/C=C\C[N@H+](C)CC(=O)N(C)C 307945486 572816577 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c1cc([C@H]2COCC[NH2+]2)n(C2CC2)n1 76137096 572948165 /nfs/dbraw/zinc/94/81/65/572948165.db2.gz CIXMSTRQWHQCDW-SECBINFHSA-N 1 1 193.250 0.879 10 0 ACAEMO COC(=O)[C@@H](C)C[NH2+]Cc1ccon1 88053814 572948180 /nfs/dbraw/zinc/94/81/80/572948180.db2.gz WUOWYBATYVMRLJ-ZETCQYMHSA-N 1 1 198.222 0.573 10 0 ACAEMO CCNC(=O)CC[NH2+]Cc1ccon1 88053534 572948219 /nfs/dbraw/zinc/94/82/19/572948219.db2.gz OBGXZSPGDKVXQM-UHFFFAOYSA-N 1 1 197.238 0.290 10 0 ACAEMO COC(=O)CC[NH2+]Cc1ccon1 88053499 572948252 /nfs/dbraw/zinc/94/82/52/572948252.db2.gz SMKGWERDBUBGTQ-UHFFFAOYSA-N 1 1 184.195 0.327 10 0 ACAEMO CO[C@]1(C)CC[N@@H+](CCCCO)C1 308213770 572948291 /nfs/dbraw/zinc/94/82/91/572948291.db2.gz YDCVSUZADKEOJO-SNVBAGLBSA-N 1 1 187.283 0.870 10 0 ACAEMO CN(C)C[C@@H](O)C[N@@H+](C)C1CCC1 308215268 572948350 /nfs/dbraw/zinc/94/83/50/572948350.db2.gz ZIXRPXRHGWYDRH-SNVBAGLBSA-N 1 1 186.299 0.393 10 0 ACAEMO Nc1ccc2nc([C@H]([NH3+])CO)oc2c1 76136477 572948445 /nfs/dbraw/zinc/94/84/45/572948445.db2.gz 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308213716 572948956 /nfs/dbraw/zinc/94/89/56/572948956.db2.gz XYXRJRNCZNNBEN-DTWKUNHWSA-N 1 1 188.315 0.591 10 0 ACAEMO [NH3+][C@@H](CO)c1nc2ccccc2n1O 76136192 572949045 /nfs/dbraw/zinc/94/90/45/572949045.db2.gz XFXODUXRUIEJQT-LURJTMIESA-N 1 1 193.206 0.266 10 0 ACAEMO CC[C@@](C)([C@@H]([NH3+])COC)N(C)C 86526620 572949097 /nfs/dbraw/zinc/94/90/97/572949097.db2.gz JNHIEPSBQXAOEM-IUCAKERBSA-N 1 1 174.288 0.690 10 0 ACAEMO Nc1ccc2nc([C@@H]([NH3+])CO)oc2c1 76136478 572949243 /nfs/dbraw/zinc/94/92/43/572949243.db2.gz FUHAXYLNRPQSDF-LURJTMIESA-N 1 1 193.206 0.402 10 0 ACAEMO CN(C)C[C@H](O)C[N@@H+](C)C1CCC1 308215267 572949584 /nfs/dbraw/zinc/94/95/84/572949584.db2.gz ZIXRPXRHGWYDRH-JTQLQIEISA-N 1 1 186.299 0.393 10 0 ACAEMO CCC[N@@H+](C[C@H](C)O)[C@@H]1CCOC1 308214904 572949257 /nfs/dbraw/zinc/94/92/57/572949257.db2.gz YZBFQYYTVMEIKM-VHSXEESVSA-N 1 1 187.283 0.868 10 0 ACAEMO CCC[N@@H+](C[C@H](C)O)[C@H]1CCOC1 308214903 572949274 /nfs/dbraw/zinc/94/92/74/572949274.db2.gz 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573031174 /nfs/dbraw/zinc/03/11/74/573031174.db2.gz LTUZURZXNQLMNP-HTQZYQBOSA-N 1 1 159.229 0.088 10 0 ACAEMO C[NH2+]C[C@H](N)[C@@H]1CCSC1 258230559 573031239 /nfs/dbraw/zinc/03/12/39/573031239.db2.gz RJDNZCRSPQZXKC-RQJHMYQMSA-N 1 1 160.286 0.286 10 0 ACAEMO Nc1cncc([C@H]2COCC[NH2+]2)c1 104579430 573031340 /nfs/dbraw/zinc/03/13/40/573031340.db2.gz UFQPNBCBWGXTLP-SECBINFHSA-N 1 1 179.223 0.325 10 0 ACAEMO C[C@@H](Cc1nc[nH]n1)[C@H]1CCC[NH2+]C1 87973174 573031269 /nfs/dbraw/zinc/03/12/69/573031269.db2.gz COSVRGYOZMFKPT-IUCAKERBSA-N 1 1 194.282 0.983 10 0 ACAEMO OCCC[N@@H+](CCO)Cc1cc[nH]c1 128396758 573031414 /nfs/dbraw/zinc/03/14/14/573031414.db2.gz WIIJBHOSFDCQSL-UHFFFAOYSA-N 1 1 198.266 0.191 10 0 ACAEMO CC[C@@H](COC)[N@@H+](C)C[C@@H](C)CO 308235318 573032651 /nfs/dbraw/zinc/03/26/51/573032651.db2.gz QQMZUMKIASCXHN-ZJUUUORDSA-N 1 1 189.299 0.972 10 0 ACAEMO Cc1ccc(C(=O)C[NH3+])o1 82410567 573031933 /nfs/dbraw/zinc/03/19/33/573031933.db2.gz QLMLZXZDJCRTSV-UHFFFAOYSA-N 1 1 139.154 0.729 10 0 ACAEMO C[NH+](C)Cc1nc(N)cs1 82405902 573032338 /nfs/dbraw/zinc/03/23/38/573032338.db2.gz YGRILSACFGHIPQ-UHFFFAOYSA-N 1 1 157.242 0.787 10 0 ACAEMO C[C@@H](Cc1nc[nH]n1)[C@@H]1CCC[NH2+]C1 87973170 573032127 /nfs/dbraw/zinc/03/21/27/573032127.db2.gz COSVRGYOZMFKPT-DTWKUNHWSA-N 1 1 194.282 0.983 10 0 ACAEMO Nc1cc([C@H]2COCC[NH2+]2)ccn1 104578961 573032227 /nfs/dbraw/zinc/03/22/27/573032227.db2.gz BTCXCOOISWHEAH-MRVPVSSYSA-N 1 1 179.223 0.325 10 0 ACAEMO Cc1nc(N)c2c([nH+]1)CCN2C 82404242 573032804 /nfs/dbraw/zinc/03/28/04/573032804.db2.gz HYTSLRGVVFFBSY-UHFFFAOYSA-N 1 1 164.212 0.360 10 0 ACAEMO NC[C@H]([NH3+])c1ccc(F)c(CO)c1 104579575 573032917 /nfs/dbraw/zinc/03/29/17/573032917.db2.gz FYCJVIYNDWJZNQ-VIFPVBQESA-N 1 1 184.214 0.277 10 0 ACAEMO Nc1scnc1C[NH2+]C1CC1 257931066 573032931 /nfs/dbraw/zinc/03/29/31/573032931.db2.gz PECXUIRXKLIOCW-UHFFFAOYSA-N 1 1 169.253 0.977 10 0 ACAEMO C[NH2+]C[C@@H](N)[C@@H]1CCSC1 258230558 573033043 /nfs/dbraw/zinc/03/30/43/573033043.db2.gz 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/nfs/dbraw/zinc/03/41/48/573034148.db2.gz SCVIIPZEWFNPGI-UHFFFAOYSA-N 1 1 167.212 0.853 10 0 ACAEMO COC(=O)C[C@H]1CC[N@@H+](C)[C@@H]1C 259597818 573034206 /nfs/dbraw/zinc/03/42/06/573034206.db2.gz CMWIJYNPCNEYTQ-HTQZYQBOSA-N 1 1 171.240 0.890 10 0 ACAEMO C[N@H+]1CCC[C@@H]1Cc1nc(CO)co1 257926959 573034249 /nfs/dbraw/zinc/03/42/49/573034249.db2.gz DQFHHSHOTRLMSD-SECBINFHSA-N 1 1 196.250 0.804 10 0 ACAEMO CCN1CCO[C@H](C[N@@H+](C)CC)C1 308235884 573034359 /nfs/dbraw/zinc/03/43/59/573034359.db2.gz QURAIIAZZVEMMS-SNVBAGLBSA-N 1 1 186.299 0.659 10 0 ACAEMO c1ccn(C[C@@H]2CNCC[NH2+]2)c1 141813309 573034634 /nfs/dbraw/zinc/03/46/34/573034634.db2.gz RVDMOJPQIBIATK-VIFPVBQESA-N 1 1 165.240 0.050 10 0 ACAEMO C[C@@H](O)CC[N@@H+](C)Cc1cncnc1 128430833 573034765 /nfs/dbraw/zinc/03/47/65/573034765.db2.gz MMWCLCRYVQCDGV-SECBINFHSA-N 1 1 195.266 0.679 10 0 ACAEMO CN[C@H]([NH3+])c1ccc[nH]1 259317096 573034807 /nfs/dbraw/zinc/03/48/07/573034807.db2.gz KROFVZMRFHQEIJ-LURJTMIESA-N 1 1 125.175 0.191 10 0 ACAEMO CC[C@H](COC)[N@@H+](C)C[C@H](C)CO 308235316 573034962 /nfs/dbraw/zinc/03/49/62/573034962.db2.gz QQMZUMKIASCXHN-VHSXEESVSA-N 1 1 189.299 0.972 10 0 ACAEMO CCc1n[nH]c([C@@](C)(CC)C[NH3+])n1 128436006 573035023 /nfs/dbraw/zinc/03/50/23/573035023.db2.gz XHXDCRVRNPEEMA-VIFPVBQESA-N 1 1 182.271 0.994 10 0 ACAEMO C[C@H](Cc1nc[nH]n1)[C@H]1CCC[NH2+]C1 87973176 573035026 /nfs/dbraw/zinc/03/50/26/573035026.db2.gz COSVRGYOZMFKPT-BDAKNGLRSA-N 1 1 194.282 0.983 10 0 ACAEMO CCc1nc([C@@](C)(CC)C[NH3+])n[nH]1 128436006 573035031 /nfs/dbraw/zinc/03/50/31/573035031.db2.gz XHXDCRVRNPEEMA-VIFPVBQESA-N 1 1 182.271 0.994 10 0 ACAEMO c1ccn(C[C@H]2CNCC[NH2+]2)c1 141813505 573035248 /nfs/dbraw/zinc/03/52/48/573035248.db2.gz RVDMOJPQIBIATK-SECBINFHSA-N 1 1 165.240 0.050 10 0 ACAEMO C[C@@H]1C[C@@H]1Nc1cc(N)[nH+]cn1 82426797 573035374 /nfs/dbraw/zinc/03/53/74/573035374.db2.gz RZDHKHLWWGIRRF-RITPCOANSA-N 1 1 164.212 0.879 10 0 ACAEMO C[C@@H]1C[C@@H]1Nc1cc(N)nc[nH+]1 82426797 573035380 /nfs/dbraw/zinc/03/53/80/573035380.db2.gz RZDHKHLWWGIRRF-RITPCOANSA-N 1 1 164.212 0.879 10 0 ACAEMO C[C@H](O)CC[N@@H+](C)Cc1cncnc1 128430634 573035384 /nfs/dbraw/zinc/03/53/84/573035384.db2.gz MMWCLCRYVQCDGV-VIFPVBQESA-N 1 1 195.266 0.679 10 0 ACAEMO COCC[C@@H](C(=O)OC)[NH+](C)C 257927171 573035410 /nfs/dbraw/zinc/03/54/10/573035410.db2.gz SILRRFBVGPGUPN-ZETCQYMHSA-N 1 1 175.228 0.126 10 0 ACAEMO Cc1[nH]cnc1C[C@@H]1CC[NH2+]C1 258472659 573035450 /nfs/dbraw/zinc/03/54/50/573035450.db2.gz IKFDWEXTWUNQCR-QMMMGPOBSA-N 1 1 165.240 0.870 10 0 ACAEMO C[C@@H](CO)CNc1cc(N)[nH+]cn1 82426676 573035568 /nfs/dbraw/zinc/03/55/68/573035568.db2.gz KIPQOIGALHEYFK-ZCFIWIBFSA-N 1 1 182.227 0.099 10 0 ACAEMO C[C@@H](CO)CNc1cc(N)nc[nH+]1 82426676 573035570 /nfs/dbraw/zinc/03/55/70/573035570.db2.gz KIPQOIGALHEYFK-ZCFIWIBFSA-N 1 1 182.227 0.099 10 0 ACAEMO CO[C@]1(C[NH3+])CCC[N@H+](C2CC2)C1 257925759 573036294 /nfs/dbraw/zinc/03/62/94/573036294.db2.gz SCUOMIKIEFQRPO-JTQLQIEISA-N 1 1 184.283 0.589 10 0 ACAEMO CC[C@@H](CN)[NH+]1CCC(C)(O)CC1 88022488 573035889 /nfs/dbraw/zinc/03/58/89/573035889.db2.gz OAVXYBGRNKYPFM-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO COC(=O)[C@@H](F)[C@@H]1CC[N@@H+](C)C1 257927048 573035935 /nfs/dbraw/zinc/03/59/35/573035935.db2.gz SGAQFALDEDCDEL-RQJHMYQMSA-N 1 1 175.203 0.449 10 0 ACAEMO COC[C@H]([NH3+])CN1CCCC1 88005140 573036112 /nfs/dbraw/zinc/03/61/12/573036112.db2.gz HJBOBSOXGGMMRC-MRVPVSSYSA-N 1 1 158.245 0.056 10 0 ACAEMO COC(=O)[C@@H](F)[C@H]1CC[N@@H+](C)C1 257927036 573036138 /nfs/dbraw/zinc/03/61/38/573036138.db2.gz SGAQFALDEDCDEL-BQBZGAKWSA-N 1 1 175.203 0.449 10 0 ACAEMO [NH3+]CC(F)(F)[C@@H](O)C1CCC1 258472457 573036196 /nfs/dbraw/zinc/03/61/96/573036196.db2.gz IIKUCTNBHQCMPZ-LURJTMIESA-N 1 1 165.183 0.741 10 0 ACAEMO Cn1cc[nH+]c1N1CCC(C)(O)CC1 88023302 573036262 /nfs/dbraw/zinc/03/62/62/573036262.db2.gz SNRHAHUMSIIDON-UHFFFAOYSA-N 1 1 195.266 0.771 10 0 ACAEMO CC1(O)CCN(C2CC([NH3+])C2)CC1 88023314 573036283 /nfs/dbraw/zinc/03/62/83/573036283.db2.gz 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88000628 573036423 /nfs/dbraw/zinc/03/64/23/573036423.db2.gz IATMRGNGVJTWLF-LURJTMIESA-N 1 1 192.222 0.604 10 0 ACAEMO C/C=C/C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 82432632 573036435 /nfs/dbraw/zinc/03/64/35/573036435.db2.gz OLJREAWBDAKWHH-ORAHPGNNSA-N 1 1 196.294 0.973 10 0 ACAEMO COC[C@H]([NH3+])CNCc1ccccc1 88005464 573036534 /nfs/dbraw/zinc/03/65/34/573036534.db2.gz YEPWUNPDTPPECS-LLVKDONJSA-N 1 1 194.278 0.750 10 0 ACAEMO C[C@@]1(O)CCNC[C@@H]1C[NH+]1CCCC1 257925635 573036661 /nfs/dbraw/zinc/03/66/61/573036661.db2.gz YVISEIDHAHJGCH-GHMZBOCLSA-N 1 1 198.310 0.443 10 0 ACAEMO CN[C@]1(CO)CC[N@@H+](C(C)(C)C)C1 259317286 573036684 /nfs/dbraw/zinc/03/66/84/573036684.db2.gz MKVIOAJKIBGIFI-SNVBAGLBSA-N 1 1 186.299 0.441 10 0 ACAEMO COC[C@@H]([NH3+])CN1CCCC1 88005141 573036687 /nfs/dbraw/zinc/03/66/87/573036687.db2.gz HJBOBSOXGGMMRC-QMMMGPOBSA-N 1 1 158.245 0.056 10 0 ACAEMO CN[C@]1(CO)CC[N@H+](C(C)(C)C)C1 259317286 573036691 /nfs/dbraw/zinc/03/66/91/573036691.db2.gz MKVIOAJKIBGIFI-SNVBAGLBSA-N 1 1 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/nfs/dbraw/zinc/15/77/55/573157755.db2.gz IVOKWBNLBXYQGY-MRVPVSSYSA-N 1 1 165.196 0.253 10 0 ACAEMO COCCC[C@H](C)[N@@H+](C)CC(N)=O 308506683 573157828 /nfs/dbraw/zinc/15/78/28/573157828.db2.gz ZMUXPWYDEMVCER-QMMMGPOBSA-N 1 1 188.271 0.219 10 0 ACAEMO CCOC(=O)CC1=C2C=C[C@H]2[NH2+]1 238293415 573157933 /nfs/dbraw/zinc/15/79/33/573157933.db2.gz FHXPBCLOVOLROP-OAVJAUTGSA-N 1 1 165.192 0.591 10 0 ACAEMO C[C@H]([NH3+])[C@@]1(F)CCCNC1 258554532 573158020 /nfs/dbraw/zinc/15/80/20/573158020.db2.gz PVAKLVCQIFHIAD-NKWVEPMBSA-N 1 1 146.209 0.425 10 0 ACAEMO CC(=O)[C@@H]([NH3+])c1cccnc1 104671911 573158075 /nfs/dbraw/zinc/15/80/75/573158075.db2.gz KJNGBXIMPSWHCV-MRVPVSSYSA-N 1 1 150.181 0.670 10 0 ACAEMO C[C@@H]([NH3+])[C@@]1(F)CCCNC1 258554534 573158171 /nfs/dbraw/zinc/15/81/71/573158171.db2.gz PVAKLVCQIFHIAD-RNFRBKRXSA-N 1 1 146.209 0.425 10 0 ACAEMO C[N@H+]1CCC[C@]2(CO)C[NH2+]CC[C@@H]12 238293104 573158191 /nfs/dbraw/zinc/15/81/91/573158191.db2.gz JVQOVMPNJMBCSJ-NXEZZACHSA-N 1 1 184.283 0.053 10 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/nfs/dbraw/zinc/15/88/81/573158881.db2.gz WUUNXYKGHVGTTO-WPRPVWTQSA-N 1 1 182.267 0.749 10 0 ACAEMO [NH3+][C@H](c1cccnc1)c1ncc[nH]1 82703638 573158884 /nfs/dbraw/zinc/15/88/84/573158884.db2.gz UMOFDIMLKFYLRQ-MRVPVSSYSA-N 1 1 174.207 0.853 10 0 ACAEMO OC[C@H]1CNCC[C@@H]1[NH+]1CCCC1 215084235 573159057 /nfs/dbraw/zinc/15/90/57/573159057.db2.gz LYMLONJFKBCBNO-ZJUUUORDSA-N 1 1 184.283 0.053 10 0 ACAEMO Cn1nc([C@@H]2CC[N@@H+](C)C2)cc1C=O 259348947 573159083 /nfs/dbraw/zinc/15/90/83/573159083.db2.gz UEGWAAFIUCETRI-MRVPVSSYSA-N 1 1 193.250 0.652 10 0 ACAEMO C[N@H+]1CCCc2ccc(=O)[nH]c21 238294053 573159117 /nfs/dbraw/zinc/15/91/17/573159117.db2.gz AGTFDKLBOVUMER-UHFFFAOYSA-N 1 1 164.208 0.757 10 0 ACAEMO CNC(=[NH2+])[C@H]1CN2CCC[C@@H]2CO1 85802356 573159132 /nfs/dbraw/zinc/15/91/32/573159132.db2.gz NTXFYLYDUBFFGH-HTQZYQBOSA-N 1 1 183.255 0.046 10 0 ACAEMO CC[C@H](F)C[N@@H+]1CCC[C@@H]1C(N)=O 308285276 573159180 /nfs/dbraw/zinc/15/91/80/573159180.db2.gz CZJNSQDRLXBWNW-JGVFFNPUSA-N 1 1 188.246 0.684 10 0 ACAEMO CC[C@H](F)C[N@H+]1CCC[C@@H]1C(N)=O 308285276 573159190 /nfs/dbraw/zinc/15/91/90/573159190.db2.gz CZJNSQDRLXBWNW-JGVFFNPUSA-N 1 1 188.246 0.684 10 0 ACAEMO CNC(=[NH2+])[C@@H]1CN2CCC[C@@H]2CO1 85802353 573159196 /nfs/dbraw/zinc/15/91/96/573159196.db2.gz NTXFYLYDUBFFGH-SFYZADRCSA-N 1 1 183.255 0.046 10 0 ACAEMO NC[C@H]([NH3+])c1csc(CO)c1 104672492 573159201 /nfs/dbraw/zinc/15/92/01/573159201.db2.gz RZEQTIPZYFJKQN-ZETCQYMHSA-N 1 1 172.253 0.199 10 0 ACAEMO CC[C@@H]1C[NH2+]C[C@H]1N1CCN(C)CC1 89653886 573159302 /nfs/dbraw/zinc/15/93/02/573159302.db2.gz OXLUUCRHOSEHSP-GHMZBOCLSA-N 1 1 197.326 0.232 10 0 ACAEMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCNC1=O 308285299 573159309 /nfs/dbraw/zinc/15/93/09/573159309.db2.gz DAFUREJOIZZWGL-DTWKUNHWSA-N 1 1 184.283 0.995 10 0 ACAEMO COCC[C@@H](C)[N@@H+](C)C[C@@H](C)CO 308507333 573159332 /nfs/dbraw/zinc/15/93/32/573159332.db2.gz ZXRJZEGOFMRMHZ-NXEZZACHSA-N 1 1 189.299 0.972 10 0 ACAEMO CC(=O)[C@H]([NH3+])c1ccc(F)c(N)c1 104670134 573159343 /nfs/dbraw/zinc/15/93/43/573159343.db2.gz MVAIUORHBJNIAE-VIFPVBQESA-N 1 1 182.198 0.997 10 0 ACAEMO CC[C@@H](C)[N@@H+](CC)[C@H]1CCNC1=O 308285298 573159378 /nfs/dbraw/zinc/15/93/78/573159378.db2.gz DAFUREJOIZZWGL-BDAKNGLRSA-N 1 1 184.283 0.995 10 0 ACAEMO CC[N@H+](C1CC1)[C@H](C)CC(=O)NC 308507339 573159381 /nfs/dbraw/zinc/15/93/81/573159381.db2.gz ZYERAGYOVLDVEY-MRVPVSSYSA-N 1 1 184.283 0.995 10 0 ACAEMO CC(=O)[C@H]([NH3+])c1ccc(N)nc1C 104671946 573159970 /nfs/dbraw/zinc/15/99/70/573159970.db2.gz FDONHYHXGGWFCN-VIFPVBQESA-N 1 1 179.223 0.561 10 0 ACAEMO CN(C)C(=[NH2+])[C@H]1CN2CCC[C@@H]2CO1 85802486 573159463 /nfs/dbraw/zinc/15/94/63/573159463.db2.gz ONEWLIMSZIMFQX-RKDXNWHRSA-N 1 1 197.282 0.388 10 0 ACAEMO CCOC[C@H]([NH3+])c1ncnn1C(C)C 308507410 573159580 /nfs/dbraw/zinc/15/95/80/573159580.db2.gz ZTFYHOFZMNDZBL-QMMMGPOBSA-N 1 1 198.270 0.895 10 0 ACAEMO C[C@H](F)CC[N@H+]1CCC[C@@H]1C(N)=O 308284996 573159603 /nfs/dbraw/zinc/15/96/03/573159603.db2.gz YNJSBVIOAAPRRI-JGVFFNPUSA-N 1 1 188.246 0.684 10 0 ACAEMO OC[C@@H]1CNCC[C@@H]1[NH+]1CCCC1 215084330 573159788 /nfs/dbraw/zinc/15/97/88/573159788.db2.gz LYMLONJFKBCBNO-UWVGGRQHSA-N 1 1 184.283 0.053 10 0 ACAEMO C[C@@H]1C[N@H+](CCCN(C)C)C[C@H]1O 308285324 573159861 /nfs/dbraw/zinc/15/98/61/573159861.db2.gz DBTOEBVGKIYSNO-NXEZZACHSA-N 1 1 186.299 0.251 10 0 ACAEMO C[C@@H]1C[N@@H+](CCCN(C)C)C[C@H]1O 308285324 573159865 /nfs/dbraw/zinc/15/98/65/573159865.db2.gz DBTOEBVGKIYSNO-NXEZZACHSA-N 1 1 186.299 0.251 10 0 ACAEMO C[C@@H]1CN(CCC[NH+](C)C)C[C@H]1O 308285324 573159872 /nfs/dbraw/zinc/15/98/72/573159872.db2.gz DBTOEBVGKIYSNO-NXEZZACHSA-N 1 1 186.299 0.251 10 0 ACAEMO COCC[C@H](C)[N@@H+](C)C[C@@H](C)CO 308507336 573159875 /nfs/dbraw/zinc/15/98/75/573159875.db2.gz ZXRJZEGOFMRMHZ-ZJUUUORDSA-N 1 1 189.299 0.972 10 0 ACAEMO CC[C@@H](F)C[C@H]([NH3+])C(=O)OC 258558435 573160136 /nfs/dbraw/zinc/16/01/36/573160136.db2.gz QEWGLZCULTXZSK-RITPCOANSA-N 1 1 163.192 0.625 10 0 ACAEMO CC[NH+](CC)[C@@H]1CCNC[C@H]1CO 215081910 573160258 /nfs/dbraw/zinc/16/02/58/573160258.db2.gz SCLHKOLXUNPMGB-VHSXEESVSA-N 1 1 186.299 0.299 10 0 ACAEMO Cc1cc(=O)[nH]cc1[C@@H]([NH3+])CN 104672614 573160392 /nfs/dbraw/zinc/16/03/92/573160392.db2.gz FTUFWOMFORVQFF-ZETCQYMHSA-N 1 1 167.212 0.054 10 0 ACAEMO CC[N@@H+](C)CC(=O)N[C@H](C)C1CC1 308507341 573160425 /nfs/dbraw/zinc/16/04/25/573160425.db2.gz ZYEUGVYUOXJAHC-MRVPVSSYSA-N 1 1 184.283 0.853 10 0 ACAEMO F[C@H]1CCNC12CC[NH2+]CC2 258236772 573160444 /nfs/dbraw/zinc/16/04/44/573160444.db2.gz ZZLYXUOIFCEVNO-ZETCQYMHSA-N 1 1 158.220 0.440 10 0 ACAEMO CC[C@H]1C[NH2+]C[C@H]1N1CCN(C)CC1 89653887 573160530 /nfs/dbraw/zinc/16/05/30/573160530.db2.gz OXLUUCRHOSEHSP-WDEREUQCSA-N 1 1 197.326 0.232 10 0 ACAEMO COc1cc([C@H]([NH3+])CN)ccn1 104671408 573160533 /nfs/dbraw/zinc/16/05/33/573160533.db2.gz MINPRNLQTSYPKL-SSDOTTSWSA-N 1 1 167.212 0.049 10 0 ACAEMO C[N@@H+](CC1COC1)C[C@H]1CCOC1 308507329 573160538 /nfs/dbraw/zinc/16/05/38/573160538.db2.gz ZXOIQVATWXRPSI-SECBINFHSA-N 1 1 185.267 0.601 10 0 ACAEMO CC[C@@H](F)C[C@@H]([NH3+])C(=O)OC 258558430 573160554 /nfs/dbraw/zinc/16/05/54/573160554.db2.gz QEWGLZCULTXZSK-PHDIDXHHSA-N 1 1 163.192 0.625 10 0 ACAEMO NC[C@H]([NH3+])c1cncc(Cl)c1 104670624 573160597 /nfs/dbraw/zinc/16/05/97/573160597.db2.gz CFMAQBZLNLZNBI-ZETCQYMHSA-N 1 1 171.631 0.694 10 0 ACAEMO C[C@H]1C[N@H+](CCCN(C)C)C[C@@H]1O 308285325 573160607 /nfs/dbraw/zinc/16/06/07/573160607.db2.gz DBTOEBVGKIYSNO-UWVGGRQHSA-N 1 1 186.299 0.251 10 0 ACAEMO C[C@H]1C[N@@H+](CCCN(C)C)C[C@@H]1O 308285325 573160614 /nfs/dbraw/zinc/16/06/14/573160614.db2.gz DBTOEBVGKIYSNO-UWVGGRQHSA-N 1 1 186.299 0.251 10 0 ACAEMO C[C@H]1CN(CCC[NH+](C)C)C[C@@H]1O 308285325 573160618 /nfs/dbraw/zinc/16/06/18/573160618.db2.gz DBTOEBVGKIYSNO-UWVGGRQHSA-N 1 1 186.299 0.251 10 0 ACAEMO CC[N@H+](C1CC1)[C@@H](C)CC(=O)NC 308507340 573160691 /nfs/dbraw/zinc/16/06/91/573160691.db2.gz ZYERAGYOVLDVEY-QMMMGPOBSA-N 1 1 184.283 0.995 10 0 ACAEMO C[NH2+]Cc1nncc(C(C)(C)C)n1 257954685 573160718 /nfs/dbraw/zinc/16/07/18/573160718.db2.gz WRWDEEZLBAFSOQ-UHFFFAOYSA-N 1 1 180.255 0.889 10 0 ACAEMO CC(=O)[C@H]([NH3+])c1ccccc1N 104672649 573160787 /nfs/dbraw/zinc/16/07/87/573160787.db2.gz XGWWCNQDBLBDKV-VIFPVBQESA-N 1 1 164.208 0.858 10 0 ACAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CCNC1=O 308285300 573160821 /nfs/dbraw/zinc/16/08/21/573160821.db2.gz DAFUREJOIZZWGL-IUCAKERBSA-N 1 1 184.283 0.995 10 0 ACAEMO CC[C@@H]1[C@@H](C)C=NN1C(=N)NC(N)=[NH2+] 238294656 573160867 /nfs/dbraw/zinc/16/08/67/573160867.db2.gz QWMZBNDQXNQUMA-NTSWFWBYSA-N 1 1 196.258 0.120 10 0 ACAEMO COc1cncc([C@@H]([NH3+])CN)c1 104672353 573160879 /nfs/dbraw/zinc/16/08/79/573160879.db2.gz VGJHZNGMIQGICI-QMMMGPOBSA-N 1 1 167.212 0.049 10 0 ACAEMO CC[NH+](CC)[C@@H]1CCNC[C@@H]1CO 215081822 573161040 /nfs/dbraw/zinc/16/10/40/573161040.db2.gz SCLHKOLXUNPMGB-NXEZZACHSA-N 1 1 186.299 0.299 10 0 ACAEMO C[NH+](C)[C@@]1(C)C[C@H](CCO)OC1=O 238294625 573161169 /nfs/dbraw/zinc/16/11/69/573161169.db2.gz ZUMAMIRZVSYSHU-CBAPKCEASA-N 1 1 187.239 0.005 10 0 ACAEMO C[C@H](F)CC[N@H+]1CCC[C@H]1C(N)=O 308284998 573161195 /nfs/dbraw/zinc/16/11/95/573161195.db2.gz YNJSBVIOAAPRRI-YUMQZZPRSA-N 1 1 188.246 0.684 10 0 ACAEMO C[N@H+]1CCC[C@@H]1[C@H]1COC(=O)N1 258560704 573161324 /nfs/dbraw/zinc/16/13/24/573161324.db2.gz UCARHSNNRIEHFG-RNFRBKRXSA-N 1 1 170.212 0.189 10 0 ACAEMO C[C@@H](F)CC[N@H+]1CCC[C@H]1C(N)=O 308284997 573161243 /nfs/dbraw/zinc/16/12/43/573161243.db2.gz YNJSBVIOAAPRRI-SFYZADRCSA-N 1 1 188.246 0.684 10 0 ACAEMO C[N@H+]1CCC[C@H]1[C@@]1(C)CCC(=O)N1 257954733 573161269 /nfs/dbraw/zinc/16/12/69/573161269.db2.gz WUUNXYKGHVGTTO-WCBMZHEXSA-N 1 1 182.267 0.749 10 0 ACAEMO NC[C@H]([NH3+])c1cnc2[nH]ccc2c1 104669734 573161273 /nfs/dbraw/zinc/16/12/73/573161273.db2.gz PBBMBIJDNQBEMY-QMMMGPOBSA-N 1 1 176.223 0.521 10 0 ACAEMO C[C@H](O)CC[N@@H+](C)[C@@H](C)CCCO 308285547 573161276 /nfs/dbraw/zinc/16/12/76/573161276.db2.gz YWEFPBPGYPQZPN-UWVGGRQHSA-N 1 1 189.299 0.850 10 0 ACAEMO [NH3+][C@@H](c1cccnc1)c1ncc[nH]1 82703635 573161282 /nfs/dbraw/zinc/16/12/82/573161282.db2.gz UMOFDIMLKFYLRQ-QMMMGPOBSA-N 1 1 174.207 0.853 10 0 ACAEMO CCOC[C@@H](NN)c1c[nH+]c(C)n1C 308507426 573161283 /nfs/dbraw/zinc/16/12/83/573161283.db2.gz ZUKUOBVRTSVOKJ-MRVPVSSYSA-N 1 1 198.270 0.269 10 0 ACAEMO C[C@H]1CN(CCC[NH+](C)C)C[C@H]1O 308285326 573161819 /nfs/dbraw/zinc/16/18/19/573161819.db2.gz DBTOEBVGKIYSNO-VHSXEESVSA-N 1 1 186.299 0.251 10 0 ACAEMO COc1cc([C@@H]([NH3+])CN)ccn1 104671413 573161633 /nfs/dbraw/zinc/16/16/33/573161633.db2.gz MINPRNLQTSYPKL-ZETCQYMHSA-N 1 1 167.212 0.049 10 0 ACAEMO C[N@H+]1CCC[C@@H]1[C@@]1(C)CCC(=O)N1 257954731 573161645 /nfs/dbraw/zinc/16/16/45/573161645.db2.gz WUUNXYKGHVGTTO-PSASIEDQSA-N 1 1 182.267 0.749 10 0 ACAEMO C[C@H]1C[N@H+](CCCN(C)C)C[C@H]1O 308285326 573161808 /nfs/dbraw/zinc/16/18/08/573161808.db2.gz DBTOEBVGKIYSNO-VHSXEESVSA-N 1 1 186.299 0.251 10 0 ACAEMO C[C@H]1C[N@@H+](CCCN(C)C)C[C@H]1O 308285326 573161811 /nfs/dbraw/zinc/16/18/11/573161811.db2.gz DBTOEBVGKIYSNO-VHSXEESVSA-N 1 1 186.299 0.251 10 0 ACAEMO COc1cc([C@@H]([NH3+])C(C)=O)ccn1 104669537 573161870 /nfs/dbraw/zinc/16/18/70/573161870.db2.gz IPWFSHJPXJFNFS-VIFPVBQESA-N 1 1 180.207 0.679 10 0 ACAEMO c1ccn(NCc2cnc[nH]2)c1 85829107 573162056 /nfs/dbraw/zinc/16/20/56/573162056.db2.gz FXKAGFVDTZREGY-UHFFFAOYSA-N 1 1 162.196 0.955 10 0 ACAEMO COC[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H]1CO 308284711 573162057 /nfs/dbraw/zinc/16/20/57/573162057.db2.gz ZZNKOSPRJHAQPC-KXUCPTDWSA-N 1 1 185.267 0.478 10 0 ACAEMO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1C(N)=O 308285275 573162121 /nfs/dbraw/zinc/16/21/21/573162121.db2.gz CZJNSQDRLXBWNW-HTQZYQBOSA-N 1 1 188.246 0.684 10 0 ACAEMO CC[C@@H](F)C[N@H+]1CCC[C@@H]1C(N)=O 308285275 573162129 /nfs/dbraw/zinc/16/21/29/573162129.db2.gz CZJNSQDRLXBWNW-HTQZYQBOSA-N 1 1 188.246 0.684 10 0 ACAEMO C[N@H+]1CCC[C@@H]1[C@]1(C)CCC(=O)N1 257954732 573162179 /nfs/dbraw/zinc/16/21/79/573162179.db2.gz WUUNXYKGHVGTTO-SCZZXKLOSA-N 1 1 182.267 0.749 10 0 ACAEMO COCC[C@H](C)[N@@H+](C)C[C@H](C)CO 308507334 573162237 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191.234 0.032 10 0 ACAEMO CC[C@H]1C[NH2+]C[C@@H]1N1CCN(C)CC1 89653885 573162505 /nfs/dbraw/zinc/16/25/05/573162505.db2.gz OXLUUCRHOSEHSP-QWRGUYRKSA-N 1 1 197.326 0.232 10 0 ACAEMO CN1N[C@H](c2ccccc2)[C@H]([NH3+])C1=O 238297967 573162514 /nfs/dbraw/zinc/16/25/14/573162514.db2.gz PKYRFPSBAQXCOQ-DTWKUNHWSA-N 1 1 191.234 0.032 10 0 ACAEMO Nc1cc(F)ccc1C(=O)C[NH3+] 258558342 573162539 /nfs/dbraw/zinc/16/25/39/573162539.db2.gz QEDFSDSWVAIENY-UHFFFAOYSA-N 1 1 168.171 0.549 10 0 ACAEMO C[N@H+]1CC[C@H](Nn2cccc2)C1 85829112 573162647 /nfs/dbraw/zinc/16/26/47/573162647.db2.gz BFDHCYUHCNVBPP-VIFPVBQESA-N 1 1 165.240 0.736 10 0 ACAEMO CCOC[C@H](NN)c1c[nH+]c(C)n1C 308507427 573162669 /nfs/dbraw/zinc/16/26/69/573162669.db2.gz ZUKUOBVRTSVOKJ-QMMMGPOBSA-N 1 1 198.270 0.269 10 0 ACAEMO C[N@H+]1CC[C@@H](Nn2cccc2)C1 85829114 573163375 /nfs/dbraw/zinc/16/33/75/573163375.db2.gz BFDHCYUHCNVBPP-SECBINFHSA-N 1 1 165.240 0.736 10 0 ACAEMO c1nc([C@@H]2CCC[NH2+]2)c[nH]1 82707763 573162947 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0.949 10 0 ACAEMO COC(=O)[C@]1(N)CC[N@H+]2CCCC[C@@H]21 107434585 573605267 /nfs/dbraw/zinc/60/52/67/573605267.db2.gz QEAIMXOPTJVBAX-SCZZXKLOSA-N 1 1 198.266 0.115 10 0 ACAEMO CCc1[nH]cnc1CC[NH2+]C 75540404 573605269 /nfs/dbraw/zinc/60/52/69/573605269.db2.gz MSBSNTZBDAOEPK-UHFFFAOYSA-N 1 1 153.229 0.734 10 0 ACAEMO C[N@H+]1CC[C@H](C[C@@H]2C[NH2+]CCO2)C1 259140241 573605309 /nfs/dbraw/zinc/60/53/09/573605309.db2.gz NDCRDIWFHBWCKO-NXEZZACHSA-N 1 1 184.283 0.317 10 0 ACAEMO Cc1oc(CO)nc1[C@@H]1CC[N@H+](C)C1 257836816 573605367 /nfs/dbraw/zinc/60/53/67/573605367.db2.gz AOUUSAALRYUFEZ-MRVPVSSYSA-N 1 1 196.250 0.894 10 0 ACAEMO C[C@H]1CNc2nc(N)[nH+]cc2N1 238447069 573605516 /nfs/dbraw/zinc/60/55/16/573605516.db2.gz ILZFIYLCZDVGCE-BYPYZUCNSA-N 1 1 165.200 0.285 10 0 ACAEMO C[C@H]1OCC[C@H]1c1nc(C[NH3+])no1 86760957 573605540 /nfs/dbraw/zinc/60/55/40/573605540.db2.gz GYCCPUMNZAENIA-PHDIDXHHSA-N 1 1 183.211 0.421 10 0 ACAEMO COC(=O)[C@]1(N)C[C@H]2CCCC[N@H+]2C1 107434595 573605575 /nfs/dbraw/zinc/60/55/75/573605575.db2.gz CTRQSSMTKSAJAO-SCZZXKLOSA-N 1 1 198.266 0.115 10 0 ACAEMO C[N@H+]1CCC[C@@H](C(=O)C2([NH3+])CC2)C1 259123746 573605592 /nfs/dbraw/zinc/60/55/92/573605592.db2.gz LXCFGMDROWKIER-MRVPVSSYSA-N 1 1 182.267 0.389 10 0 ACAEMO C[N@@H+]1CCC[C@@H](C(=O)C2(N)CC2)C1 259123746 573605599 /nfs/dbraw/zinc/60/55/99/573605599.db2.gz LXCFGMDROWKIER-MRVPVSSYSA-N 1 1 182.267 0.389 10 0 ACAEMO C[C@H]1CNc2c(nc[nH+]c2N)N1 238445984 573605632 /nfs/dbraw/zinc/60/56/32/573605632.db2.gz CVHCDVXUEJYMEU-BYPYZUCNSA-N 1 1 165.200 0.285 10 0 ACAEMO C[C@H]1CNc2c(N)nc[nH+]c2N1 238445984 573605638 /nfs/dbraw/zinc/60/56/38/573605638.db2.gz CVHCDVXUEJYMEU-BYPYZUCNSA-N 1 1 165.200 0.285 10 0 ACAEMO C[N@H+]1CC[C@@H](C[C@@H]2C[NH2+]CCO2)C1 259140246 573606311 /nfs/dbraw/zinc/60/63/11/573606311.db2.gz NDCRDIWFHBWCKO-VHSXEESVSA-N 1 1 184.283 0.317 10 0 ACAEMO C[C@@H](N)[C@@H](C)[NH2+]CCc1cccnc1 308648244 573606312 /nfs/dbraw/zinc/60/63/12/573606312.db2.gz IMXZPMVCCNLBDI-NXEZZACHSA-N 1 1 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CC(C)[C@@H](CO)[N@@H+]1CC[C@@H](N)C1 238151955 573850507 /nfs/dbraw/zinc/85/05/07/573850507.db2.gz IRFSKIIQFLYGLZ-RKDXNWHRSA-N 1 1 172.272 0.036 10 0 ACAEMO CC(C)[C@@H](CO)[N@H+]1CC[C@@H](N)C1 238151955 573850512 /nfs/dbraw/zinc/85/05/12/573850512.db2.gz IRFSKIIQFLYGLZ-RKDXNWHRSA-N 1 1 172.272 0.036 10 0 ACAEMO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C(=O)[O-] 43627150 573850523 /nfs/dbraw/zinc/85/05/23/573850523.db2.gz XNOAAXPWOFYYIO-YUMQZZPRSA-N 1 1 186.255 0.001 10 0 ACAEMO C[C@H]1CNCC[N@@H+]1C[C@]1(C)CCCO1 87260000 573850528 /nfs/dbraw/zinc/85/05/28/573850528.db2.gz HDZZVGLWRJYSEQ-QWRGUYRKSA-N 1 1 198.310 0.849 10 0 ACAEMO C[C@H]1CNCC[N@H+]1C[C@]1(C)CCCO1 87260000 573850533 /nfs/dbraw/zinc/85/05/33/573850533.db2.gz HDZZVGLWRJYSEQ-QWRGUYRKSA-N 1 1 198.310 0.849 10 0 ACAEMO Cc1cc[nH+]c(N2CC(C)(O)C2)c1 84355525 573851392 /nfs/dbraw/zinc/85/13/92/573851392.db2.gz ODUKVRMXMDEFCY-UHFFFAOYSA-N 1 1 178.235 0.961 10 0 ACAEMO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C(=O)[O-] 43627153 573851450 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10 0 ACAEMO CCn1cc[nH+]c1N1CC(C)(O)C1 84355752 573851661 /nfs/dbraw/zinc/85/16/61/573851661.db2.gz SMFYPTHTFQBUQU-UHFFFAOYSA-N 1 1 181.239 0.474 10 0 ACAEMO O[C@H]1CC[C@@H]1[NH2+]Cc1cocn1 585297884 573851666 /nfs/dbraw/zinc/85/16/66/573851666.db2.gz LPWLIFHHPDPGLZ-YUMQZZPRSA-N 1 1 168.196 0.288 10 0 ACAEMO CC(=O)c1ccnn1[C@H]1CC[N@H+](C)C1 257888596 573851702 /nfs/dbraw/zinc/85/17/02/573851702.db2.gz WQUOUAFBTSOHJO-VIFPVBQESA-N 1 1 193.250 0.962 10 0 ACAEMO c1nc(CC[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)n[nH]1 308453996 573851722 /nfs/dbraw/zinc/85/17/22/573851722.db2.gz DEKAKSJXODBLGF-HRDYMLBCSA-N 1 1 192.266 0.735 10 0 ACAEMO C[N@H+]1CCC[C@](O)(Cc2cnco2)C1 84359216 573851729 /nfs/dbraw/zinc/85/17/29/573851729.db2.gz QIWDZPDDUUTEBN-JTQLQIEISA-N 1 1 196.250 0.674 10 0 ACAEMO Cc1ocnc1C[NH2+][C@H]1CC[C@@H]1O 585298051 573851815 /nfs/dbraw/zinc/85/18/15/573851815.db2.gz OMJUWRTXKALBGO-CBAPKCEASA-N 1 1 182.223 0.596 10 0 ACAEMO C[N@H+]1CCNC(=O)C2(CCC2)C1 258436925 573851816 /nfs/dbraw/zinc/85/18/16/573851816.db2.gz GAYJWAYBSGHVIF-UHFFFAOYSA-N 1 1 168.240 0.218 10 0 ACAEMO Cc1nc(C[NH+](C)C)cn1C 258154169 573851833 /nfs/dbraw/zinc/85/18/33/573851833.db2.gz LKNOLBYHUWGYEJ-UHFFFAOYSA-N 1 1 153.229 0.790 10 0 ACAEMO CC(C)[C@@H](CO)N1CCC[C@@H]([NH3+])C1 238151910 573851848 /nfs/dbraw/zinc/85/18/48/573851848.db2.gz BEXJQBMZWXRYBJ-NXEZZACHSA-N 1 1 186.299 0.426 10 0 ACAEMO CC1(C)CC[N@@H+](CC[C@H]([NH3+])CO)C1 87259851 573851856 /nfs/dbraw/zinc/85/18/56/573851856.db2.gz SHLYXBXJDJLABT-VIFPVBQESA-N 1 1 186.299 0.428 10 0 ACAEMO CC1(C)CC[N@H+](CC[C@H](N)CO)C1 87259851 573851863 /nfs/dbraw/zinc/85/18/63/573851863.db2.gz SHLYXBXJDJLABT-VIFPVBQESA-N 1 1 186.299 0.428 10 0 ACAEMO CC1(C)CC[N@@H+](CC[C@H](N)CO)C1 87259851 573851869 /nfs/dbraw/zinc/85/18/69/573851869.db2.gz SHLYXBXJDJLABT-VIFPVBQESA-N 1 1 186.299 0.428 10 0 ACAEMO CC1(O)C[NH+](CCc2cccnc2)C1 84357370 573851903 /nfs/dbraw/zinc/85/19/03/573851903.db2.gz OBCCUNHWDSEMID-UHFFFAOYSA-N 1 1 192.262 0.691 10 0 ACAEMO CCC[N@@H+](CCC(N)=O)C(C)C 43639224 573852008 /nfs/dbraw/zinc/85/20/08/573852008.db2.gz JAOOAAMFGVOLDL-UHFFFAOYSA-N 1 1 172.272 0.982 10 0 ACAEMO CNOC[C@@H]1CCCC[N@H+]1C 258437118 573852009 /nfs/dbraw/zinc/85/20/09/573852009.db2.gz DRPHLMKEEAQWTP-QMMMGPOBSA-N 1 1 158.245 0.622 10 0 ACAEMO Cc1ocnc1C[NH2+][C@H]1CC[C@H]1O 585298052 573852055 /nfs/dbraw/zinc/85/20/55/573852055.db2.gz OMJUWRTXKALBGO-IONNQARKSA-N 1 1 182.223 0.596 10 0 ACAEMO C[N@@H+]1CCC[C@H](c2cc(CN)no2)C1 259212305 573852201 /nfs/dbraw/zinc/85/22/01/573852201.db2.gz LHXSNZCKQJRMQZ-QMMMGPOBSA-N 1 1 195.266 0.943 10 0 ACAEMO C[N@H+]1CCC[C@H](c2cc(CN)no2)C1 259212305 573852205 /nfs/dbraw/zinc/85/22/05/573852205.db2.gz LHXSNZCKQJRMQZ-QMMMGPOBSA-N 1 1 195.266 0.943 10 0 ACAEMO CNc1ncnnc1[C@H]1CC[N@@H+](C)C1 259212735 573852225 /nfs/dbraw/zinc/85/22/25/573852225.db2.gz NXJKFLHXQDTFAA-ZETCQYMHSA-N 1 1 193.254 0.332 10 0 ACAEMO CN[C@@H](c1ccc(C)cc1)[C@H](O)C[NH3+] 259212105 573852275 /nfs/dbraw/zinc/85/22/75/573852275.db2.gz FUNSIGAIIBLGDK-MNOVXSKESA-N 1 1 194.278 0.575 10 0 ACAEMO CC1(C)CC[N@@H+](C[C@H]2COC[C@@H]2[NH3+])C1 87255034 573852289 /nfs/dbraw/zinc/85/22/89/573852289.db2.gz DHORILMKQUDWEP-UWVGGRQHSA-N 1 1 198.310 0.692 10 0 ACAEMO CC1(C)CC[N@H+](C[C@H]2COC[C@@H]2N)C1 87255034 573852295 /nfs/dbraw/zinc/85/22/95/573852295.db2.gz DHORILMKQUDWEP-UWVGGRQHSA-N 1 1 198.310 0.692 10 0 ACAEMO CC1(C)CC[N@@H+](C[C@H]2COC[C@@H]2N)C1 87255034 573852301 /nfs/dbraw/zinc/85/23/01/573852301.db2.gz DHORILMKQUDWEP-UWVGGRQHSA-N 1 1 198.310 0.692 10 0 ACAEMO CCC[N@@H+](CCC(N)=O)C1CC1 43639225 573852323 /nfs/dbraw/zinc/85/23/23/573852323.db2.gz MHCVLXSIOCHZTP-UHFFFAOYSA-N 1 1 170.256 0.736 10 0 ACAEMO CC1(C)CC[N@H+](C[C@@](C)(N)CO)C1 87259845 573852422 /nfs/dbraw/zinc/85/24/22/573852422.db2.gz YXPYWNXSFAUXHZ-SNVBAGLBSA-N 1 1 186.299 0.428 10 0 ACAEMO CC1(C)CCN(C[C@@](C)([NH3+])CO)C1 87259845 573852429 /nfs/dbraw/zinc/85/24/29/573852429.db2.gz YXPYWNXSFAUXHZ-SNVBAGLBSA-N 1 1 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199.275 0.901 10 0 ACAEMO C1C[C@H](CN2CC3(CC3)C2)C[NH2+]1 87655472 574004535 /nfs/dbraw/zinc/00/45/35/574004535.db2.gz KRDDSEHSCNTPNJ-VIFPVBQESA-N 1 1 166.268 0.692 10 0 ACAEMO C[C@H](O)C[NH2+]C[C@H]1CCC[C@H](C)N1 247864325 574004570 /nfs/dbraw/zinc/00/45/70/574004570.db2.gz HSQPYWCVTMHJGH-LPEHRKFASA-N 1 1 186.299 0.487 10 0 ACAEMO CC[NH2+][C@H](CN)c1cn(C)nc1C 128033075 574004581 /nfs/dbraw/zinc/00/45/81/574004581.db2.gz NHUOZZNLJZUANV-SECBINFHSA-N 1 1 182.271 0.338 10 0 ACAEMO CC(=O)[C@H]([NH3+])c1ccc2nccn2c1 104486924 574006692 /nfs/dbraw/zinc/00/66/92/574006692.db2.gz YRPNZMZOGUDBDO-JTQLQIEISA-N 1 1 189.218 0.923 10 0 ACAEMO N[C@@H](CO)[C@H]([NH3+])c1cccs1 259591901 574006701 /nfs/dbraw/zinc/00/67/01/574006701.db2.gz WSMRZPQCRGQGPD-FSPLSTOPSA-N 1 1 172.253 0.068 10 0 ACAEMO CC(C)n1cncc1[C@H]1COC(=[NH2+])N1 85189467 574006704 /nfs/dbraw/zinc/00/67/04/574006704.db2.gz CRKLGVXBZCYCLL-SSDOTTSWSA-N 1 1 194.238 0.850 10 0 ACAEMO C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C)N1 247864324 574006208 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/nfs/dbraw/zinc/00/89/80/574008980.db2.gz WIZWQRCMPCWIJV-PSASIEDQSA-N 1 1 199.250 0.149 10 0 ACAEMO CN[C@H]([NH3+])c1cccnc1 259272166 574009003 /nfs/dbraw/zinc/00/90/03/574009003.db2.gz HCZCCUOQGPQMKC-ZETCQYMHSA-N 1 1 137.186 0.258 10 0 ACAEMO C[N@H+]1CCCC[C@H]1C[C@H]1CNC(=O)O1 258204475 574009172 /nfs/dbraw/zinc/00/91/72/574009172.db2.gz FXSNFDMDUNIIHA-IUCAKERBSA-N 1 1 198.266 0.969 10 0 ACAEMO C[N@H+]1CCC[C@@H](n2cncc2CO)C1 85200278 574009983 /nfs/dbraw/zinc/00/99/83/574009983.db2.gz XPKVVJMDXOSDPL-SECBINFHSA-N 1 1 195.266 0.642 10 0 ACAEMO OC[C@@]1(NC2CC2)CC[N@@H+]2CCC[C@@H]21 123369209 574010682 /nfs/dbraw/zinc/01/06/82/574010682.db2.gz LOBYRNBZCFWOBN-MNOVXSKESA-N 1 1 196.294 0.338 10 0 ACAEMO C[N@H+]1CC[C@@H](n2cncc2C=O)C1 85194330 574010092 /nfs/dbraw/zinc/01/00/92/574010092.db2.gz PGVHAWYBMPYELX-MRVPVSSYSA-N 1 1 179.223 0.572 10 0 ACAEMO CSC[C@@H](CO)[C@@H]1CC[N@@H+](C)C1 258201423 574010098 /nfs/dbraw/zinc/01/00/98/574010098.db2.gz PPSZLVANICSBQC-RKDXNWHRSA-N 1 1 189.324 0.910 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ACAEMO [NH3+][C@@H](CCO)C(=O)OC1CCCC1 48632322 574012461 /nfs/dbraw/zinc/01/24/61/574012461.db2.gz LQMFDGWUQKALDE-QMMMGPOBSA-N 1 1 187.239 0.182 10 0 ACAEMO C[N@H+]1CC[C@@](O)(C(F)F)C1 87686823 574012475 /nfs/dbraw/zinc/01/24/75/574012475.db2.gz ZGPJRKSFCFPAAQ-LURJTMIESA-N 1 1 151.156 0.318 10 0 ACAEMO CC(C)C[C@@H](C)OC(=O)C[NH3+] 48632461 574012554 /nfs/dbraw/zinc/01/25/54/574012554.db2.gz HQQQYIXQACVVOW-SSDOTTSWSA-N 1 1 159.229 0.923 10 0 ACAEMO CC(C)CCOC(=O)[C@H]([NH3+])CCO 48636298 574012526 /nfs/dbraw/zinc/01/25/26/574012526.db2.gz UMUZAZWSSYMWSF-MRVPVSSYSA-N 1 1 189.255 0.285 10 0 ACAEMO C[N@H+]1CCC[C@@H]1C[C@@]1(C)NCCO1 258524532 574012535 /nfs/dbraw/zinc/01/25/35/574012535.db2.gz NGNVQUACCNUPHU-ZJUUUORDSA-N 1 1 184.283 0.807 10 0 ACAEMO CC(=O)[C@@H]([NH3+])c1ccc(F)c(CO)c1 104497327 574012563 /nfs/dbraw/zinc/01/25/63/574012563.db2.gz YAFWFJCKQLOYGO-SNVBAGLBSA-N 1 1 197.209 0.907 10 0 ACAEMO C[C@H]([NH3+])C(=O)OC[C@H]1CCCCO1 48632818 574012618 /nfs/dbraw/zinc/01/26/18/574012618.db2.gz IATQNBBUTWITLG-JGVFFNPUSA-N 1 1 187.239 0.446 10 0 ACAEMO CC(C)C[C@H](C)OC(=O)[C@@H]([NH3+])CO 48632434 574012692 /nfs/dbraw/zinc/01/26/92/574012692.db2.gz IHDGAGPLBICPKR-YUMQZZPRSA-N 1 1 189.255 0.284 10 0 ACAEMO C[C@H](O)[C@H]([NH3+])C(=O)OC1CCCC1 48632227 574013645 /nfs/dbraw/zinc/01/36/45/574013645.db2.gz VLZSAQRJEBBABP-XPUUQOCRSA-N 1 1 187.239 0.180 10 0 ACAEMO C[N@H+]1CC[C@H](n2cncc2CO)C1 85200302 574013660 /nfs/dbraw/zinc/01/36/60/574013660.db2.gz BGCMOHDGLOUKMR-QMMMGPOBSA-N 1 1 181.239 0.252 10 0 ACAEMO CC(C)C[C@H](C)OC(=O)C[NH3+] 48632462 574013733 /nfs/dbraw/zinc/01/37/33/574013733.db2.gz HQQQYIXQACVVOW-ZETCQYMHSA-N 1 1 159.229 0.923 10 0 ACAEMO CN[C@@]1(C(F)F)CC[N@@H+](C)C1 87688626 574013800 /nfs/dbraw/zinc/01/38/00/574013800.db2.gz PKPSFJMTOHPRDI-ZETCQYMHSA-N 1 1 164.199 0.545 10 0 ACAEMO C[C@H](N)[C@H](C)[NH2+][C@H](CO)C1CCC1 717583444 574013808 /nfs/dbraw/zinc/01/38/08/574013808.db2.gz NDYOGTOEJDWDSW-OYNCUSHFSA-N 1 1 186.299 0.473 10 0 ACAEMO C[C@H](N)[C@@H](C)[NH2+][C@@H](CO)C1CCC1 717583447 574013818 /nfs/dbraw/zinc/01/38/18/574013818.db2.gz NDYOGTOEJDWDSW-XKSSXDPKSA-N 1 1 186.299 0.473 10 0 ACAEMO CC(C)(C)[C@@](O)(CN)[C@H]1CCC[NH2+]1 123386132 574013835 /nfs/dbraw/zinc/01/38/35/574013835.db2.gz SFEKXVFLQDHYKD-PSASIEDQSA-N 1 1 186.299 0.474 10 0 ACAEMO COC(=O)[C@@H]([NH3+])Cn1cc(C)cc1C 259592881 574013906 /nfs/dbraw/zinc/01/39/06/574013906.db2.gz CCENSTLHNXBKNM-VIFPVBQESA-N 1 1 196.250 0.605 10 0 ACAEMO COC(=O)[C@H]([NH3+])Cn1cc(C)cc1C 259592877 574013931 /nfs/dbraw/zinc/01/39/31/574013931.db2.gz CCENSTLHNXBKNM-SECBINFHSA-N 1 1 196.250 0.605 10 0 ACAEMO CC(C)C[C@H](C)OC(=O)[C@H]([NH3+])CO 48632432 574013947 /nfs/dbraw/zinc/01/39/47/574013947.db2.gz IHDGAGPLBICPKR-JGVFFNPUSA-N 1 1 189.255 0.284 10 0 ACAEMO N[C@]1(C(F)F)CC[N@H+](C2CC2)C1 87688095 574013957 /nfs/dbraw/zinc/01/39/57/574013957.db2.gz ZYOVEGZJNOXAQR-MRVPVSSYSA-N 1 1 176.210 0.817 10 0 ACAEMO Cc1cccc2nc([C@@H](O)C[NH3+])[nH]c12 85226897 574014107 /nfs/dbraw/zinc/01/41/07/574014107.db2.gz WVBHBGYFSDQWLM-QMMMGPOBSA-N 1 1 191.234 0.863 10 0 ACAEMO CC(=O)CC[N@@H+](CC(N)=O)C(C)C 48776786 574014169 /nfs/dbraw/zinc/01/41/69/574014169.db2.gz MZSIROPSFVDNKM-UHFFFAOYSA-N 1 1 186.255 0.161 10 0 ACAEMO OCCN1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585382651 574015121 /nfs/dbraw/zinc/01/51/21/574015121.db2.gz RGSFPUKOMIMCKD-AOOOYVTPSA-N 1 1 196.294 0.005 10 0 ACAEMO N[C@]1(C(F)F)CC[N@H+]2CCC[C@@H]21 123395938 574015164 /nfs/dbraw/zinc/01/51/64/574015164.db2.gz DNWMXYRZVZUQBA-HTRCEHHLSA-N 1 1 176.210 0.817 10 0 ACAEMO N[C@]1(C(F)F)CC[N@H+]2CCC[C@H]21 123396147 574015223 /nfs/dbraw/zinc/01/52/23/574015223.db2.gz DNWMXYRZVZUQBA-POYBYMJQSA-N 1 1 176.210 0.817 10 0 ACAEMO CCC[NH+]1C[C@H]2CN(C)C[C@@H]2C1 585382051 574015246 /nfs/dbraw/zinc/01/52/46/574015246.db2.gz GXLYERRYBGMXTP-NXEZZACHSA-N 1 1 168.284 0.890 10 0 ACAEMO OC[C@H]([NH2+]Cc1c[nH]cn1)C1CCC1 717583633 574015525 /nfs/dbraw/zinc/01/55/25/574015525.db2.gz PVYFYXPUZBVOFX-JTQLQIEISA-N 1 1 195.266 0.660 10 0 ACAEMO C/C=C\c1nnc([C@H]([NH3+])[C@@H](C)O)o1 393603969 574015368 /nfs/dbraw/zinc/01/53/68/574015368.db2.gz XGSHNUJTDJFFTB-UYPIMSBPSA-N 1 1 183.211 0.483 10 0 ACAEMO CCC[NH+]1C[C@@H]2CN(C)C[C@H]2C1 585382054 574015497 /nfs/dbraw/zinc/01/54/97/574015497.db2.gz GXLYERRYBGMXTP-UWVGGRQHSA-N 1 1 168.284 0.890 10 0 ACAEMO CC(C)CCOC(=O)[C@@H]([NH3+])[C@@H](C)O 48636009 574015504 /nfs/dbraw/zinc/01/55/04/574015504.db2.gz UHWYTDXDQMRAPW-SFYZADRCSA-N 1 1 189.255 0.284 10 0 ACAEMO [NH3+][C@H](CCO)C(=O)OC1CCCC1 48632321 574015516 /nfs/dbraw/zinc/01/55/16/574015516.db2.gz LQMFDGWUQKALDE-MRVPVSSYSA-N 1 1 187.239 0.182 10 0 ACAEMO Cc1ccc2nc([C@H](O)C[NH3+])[nH]c2c1 85226803 574015524 /nfs/dbraw/zinc/01/55/24/574015524.db2.gz MXDCUDVUXDGZFG-SECBINFHSA-N 1 1 191.234 0.863 10 0 ACAEMO [NH3+]C[C@H](O)c1nc2ccc(F)cc2[nH]1 85226824 574015536 /nfs/dbraw/zinc/01/55/36/574015536.db2.gz UFZHEPOWWOKCOE-QMMMGPOBSA-N 1 1 195.197 0.694 10 0 ACAEMO CCc1nc(CCC[NH2+]C)n[nH]1 48630945 574015544 /nfs/dbraw/zinc/01/55/44/574015544.db2.gz WDIUPLBTTKIQDK-UHFFFAOYSA-N 1 1 168.244 0.519 10 0 ACAEMO OC[C@@H]([NH2+]Cc1c[nH]cn1)C1CCC1 717583634 574015545 /nfs/dbraw/zinc/01/55/45/574015545.db2.gz PVYFYXPUZBVOFX-SNVBAGLBSA-N 1 1 195.266 0.660 10 0 ACAEMO CCc1nnc(CCC[NH2+]C)[nH]1 48630945 574015548 /nfs/dbraw/zinc/01/55/48/574015548.db2.gz WDIUPLBTTKIQDK-UHFFFAOYSA-N 1 1 168.244 0.519 10 0 ACAEMO [NH3+]C1(C(F)F)CCS(=O)(=O)CC1 87688210 574015555 /nfs/dbraw/zinc/01/55/55/574015555.db2.gz KBSZNPFYQATBNX-UHFFFAOYSA-N 1 1 199.222 0.158 10 0 ACAEMO Cc1cccc2nc([C@H](O)C[NH3+])[nH]c12 85226896 574015694 /nfs/dbraw/zinc/01/56/94/574015694.db2.gz WVBHBGYFSDQWLM-MRVPVSSYSA-N 1 1 191.234 0.863 10 0 ACAEMO CCc1nnc(CC[NH2+]C2CC2)[nH]1 48630825 574015733 /nfs/dbraw/zinc/01/57/33/574015733.db2.gz OVZHGQDKHGABKX-UHFFFAOYSA-N 1 1 180.255 0.662 10 0 ACAEMO CCc1nc(CC[NH2+]C2CC2)n[nH]1 48630825 574015737 /nfs/dbraw/zinc/01/57/37/574015737.db2.gz OVZHGQDKHGABKX-UHFFFAOYSA-N 1 1 180.255 0.662 10 0 ACAEMO CCC[C@H]([NH3+])C(=O)OCCCOC 48631933 574015821 /nfs/dbraw/zinc/01/58/21/574015821.db2.gz OGCPMTJRDSSUPI-QMMMGPOBSA-N 1 1 189.255 0.694 10 0 ACAEMO Cc1ccc2nc([C@@H](O)C[NH3+])[nH]c2c1 85226805 574015873 /nfs/dbraw/zinc/01/58/73/574015873.db2.gz MXDCUDVUXDGZFG-VIFPVBQESA-N 1 1 191.234 0.863 10 0 ACAEMO [NH3+]C[C@H](O)c1nc(C2CCCC2)n[nH]1 85227481 574015933 /nfs/dbraw/zinc/01/59/33/574015933.db2.gz YYTLUSKWDPHMMQ-ZETCQYMHSA-N 1 1 196.254 0.454 10 0 ACAEMO [NH3+]C[C@H](O)c1n[nH]c(C2CCCC2)n1 85227481 574015936 /nfs/dbraw/zinc/01/59/36/574015936.db2.gz YYTLUSKWDPHMMQ-ZETCQYMHSA-N 1 1 196.254 0.454 10 0 ACAEMO [NH3+]C[C@@H](O)c1nc(C2CCCC2)n[nH]1 85227479 574016039 /nfs/dbraw/zinc/01/60/39/574016039.db2.gz YYTLUSKWDPHMMQ-SSDOTTSWSA-N 1 1 196.254 0.454 10 0 ACAEMO [NH3+]C[C@@H](O)c1n[nH]c(C2CCCC2)n1 85227479 574016041 /nfs/dbraw/zinc/01/60/41/574016041.db2.gz YYTLUSKWDPHMMQ-SSDOTTSWSA-N 1 1 196.254 0.454 10 0 ACAEMO C[N@H+]1CC[C@](N)(C(F)F)C1 87688165 574016096 /nfs/dbraw/zinc/01/60/96/574016096.db2.gz JEGIBQGXNJMUAX-ZCFIWIBFSA-N 1 1 150.172 0.285 10 0 ACAEMO CC(=O)N1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585383044 574017257 /nfs/dbraw/zinc/01/72/57/574017257.db2.gz YWWFDASXHJJCNA-AOOOYVTPSA-N 1 1 194.278 0.559 10 0 ACAEMO O[C@@H]1CS[C@@H]2C[N@@H+](CC3CC3)C[C@H]12 585384587 574017065 /nfs/dbraw/zinc/01/70/65/574017065.db2.gz RXGKPDRUKBQGAE-OPRDCNLKSA-N 1 1 199.319 0.805 10 0 ACAEMO COCCOC(=O)[C@H]([NH3+])C(C)(C)C 48638966 574017209 /nfs/dbraw/zinc/01/72/09/574017209.db2.gz JEFQDZRRIUGCSW-ZETCQYMHSA-N 1 1 189.255 0.549 10 0 ACAEMO Cc1ccn(-c2nnc(C[NH3+])s2)n1 87698608 574017295 /nfs/dbraw/zinc/01/72/95/574017295.db2.gz VIFAYASYZRWMKT-UHFFFAOYSA-N 1 1 195.251 0.491 10 0 ACAEMO CC[NH2+]Cc1nnc(OC)s1 87698805 574017373 /nfs/dbraw/zinc/01/73/73/574017373.db2.gz OPPQMYNNFWFXQV-UHFFFAOYSA-N 1 1 173.241 0.656 10 0 ACAEMO C[C@H]([NH3+])C(=O)OC[C@H]1CCCO1 48636886 574017378 /nfs/dbraw/zinc/01/73/78/574017378.db2.gz JCWZBURBPWVWKO-NKWVEPMBSA-N 1 1 173.212 0.056 10 0 ACAEMO Nc1cc(C[C@H]2CCCO2)[nH+]nc1N 259274103 574017385 /nfs/dbraw/zinc/01/73/85/574017385.db2.gz BAPHMJHYVJGSSZ-SSDOTTSWSA-N 1 1 194.238 0.363 10 0 ACAEMO Cc1cnn(-c2nnc(C[NH3+])s2)c1 87698555 574017651 /nfs/dbraw/zinc/01/76/51/574017651.db2.gz QLMQUYHNHJSGHO-UHFFFAOYSA-N 1 1 195.251 0.491 10 0 ACAEMO O[C@@H]1CS[C@H]2C[N@H+](C3CCC3)C[C@@H]12 585383858 574017440 /nfs/dbraw/zinc/01/74/40/574017440.db2.gz GMLIZVFJCPRXLB-AEJSXWLSSA-N 1 1 199.319 0.947 10 0 ACAEMO [NH3+]Cc1nnc(-n2ccnc2)s1 87698517 574017449 /nfs/dbraw/zinc/01/74/49/574017449.db2.gz GSOORRZECZZEEH-UHFFFAOYSA-N 1 1 181.224 0.183 10 0 ACAEMO Nc1cc([C@@H]2COCC[NH2+]2)cnc1F 104502739 574017472 /nfs/dbraw/zinc/01/74/72/574017472.db2.gz FHNZQNAYDRYVGJ-QMMMGPOBSA-N 1 1 197.213 0.464 10 0 ACAEMO O[C@@H]1CS[C@H]2C[N@@H+](CC3CC3)C[C@H]12 585384585 574017504 /nfs/dbraw/zinc/01/75/04/574017504.db2.gz RXGKPDRUKBQGAE-BBBLOLIVSA-N 1 1 199.319 0.805 10 0 ACAEMO CC(C)Oc1nnc(C[NH3+])s1 87698952 574017595 /nfs/dbraw/zinc/01/75/95/574017595.db2.gz LHBAWFNGBOLJPM-UHFFFAOYSA-N 1 1 173.241 0.784 10 0 ACAEMO Cc1nccn1-c1nnc(C[NH3+])s1 87698540 574017608 /nfs/dbraw/zinc/01/76/08/574017608.db2.gz JJTPFPKWJLLXMH-UHFFFAOYSA-N 1 1 195.251 0.491 10 0 ACAEMO O[C@H]1CCCC[N@H+]2CCC[C@H]12 258524227 574021317 /nfs/dbraw/zinc/02/13/17/574021317.db2.gz MOXKSPBQNWDORR-BDAKNGLRSA-N 1 1 155.241 0.996 10 0 ACAEMO Cc1cc(N)ccc1[C@@H]1CNCC[NH2+]1 104507960 574019504 /nfs/dbraw/zinc/01/95/04/574019504.db2.gz ZJWZWKTWZRZTPN-NSHDSACASA-N 1 1 191.278 0.811 10 0 ACAEMO Cc1ccc(NC[C@@](C)(O)CO)[nH+]c1 85253207 574019514 /nfs/dbraw/zinc/01/95/14/574019514.db2.gz QVZWZYPYORAZDI-SNVBAGLBSA-N 1 1 196.250 0.545 10 0 ACAEMO C[C@@H]1CC[N@H+](Cc2nnc(N)s2)C1 87691998 574019240 /nfs/dbraw/zinc/01/92/40/574019240.db2.gz CURMGAXVTHGANG-ZCFIWIBFSA-N 1 1 198.295 0.962 10 0 ACAEMO C[C@@H]1CC[N@@H+](Cc2nnc(N)s2)C1 87691998 574019244 /nfs/dbraw/zinc/01/92/44/574019244.db2.gz CURMGAXVTHGANG-ZCFIWIBFSA-N 1 1 198.295 0.962 10 0 ACAEMO Cc1ccc(NC[C@@H](O)CO)[nH+]c1 85245567 574019263 /nfs/dbraw/zinc/01/92/63/574019263.db2.gz VDKKLQZUFGBVTH-MRVPVSSYSA-N 1 1 182.223 0.155 10 0 ACAEMO CC[N@H+]1CC[C@@H](C[C@@H](C)ON)C1 259276294 574019287 /nfs/dbraw/zinc/01/92/87/574019287.db2.gz ADKQESQMXNUKDC-BDAKNGLRSA-N 1 1 172.272 0.997 10 0 ACAEMO CC[N@H+]1CC[C@H](C[C@H](C)ON)C1 259276298 574019318 /nfs/dbraw/zinc/01/93/18/574019318.db2.gz ADKQESQMXNUKDC-DTWKUNHWSA-N 1 1 172.272 0.997 10 0 ACAEMO Nc1cccc([C@@H]2COCC[NH2+]2)n1 104507434 574019327 /nfs/dbraw/zinc/01/93/27/574019327.db2.gz HQXJWWANLMWINQ-QMMMGPOBSA-N 1 1 179.223 0.325 10 0 ACAEMO Cc1ccc[nH+]c1NC[C@H](O)CO 85245476 574019380 /nfs/dbraw/zinc/01/93/80/574019380.db2.gz JLBWKFSDFFIGRL-QMMMGPOBSA-N 1 1 182.223 0.155 10 0 ACAEMO COc1ccc([C@H]([NH3+])CN)c(C)n1 104513725 574023445 /nfs/dbraw/zinc/02/34/45/574023445.db2.gz RIESZXBIJPIMAD-MRVPVSSYSA-N 1 1 181.239 0.357 10 0 ACAEMO OCc1ccc([C@@H]2COCC[NH2+]2)cn1 104512496 574023471 /nfs/dbraw/zinc/02/34/71/574023471.db2.gz XTINFQZIVZKYHV-JTQLQIEISA-N 1 1 194.234 0.235 10 0 ACAEMO CC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 259276621 574023093 /nfs/dbraw/zinc/02/30/93/574023093.db2.gz PHOHPWIFASDEQG-ZETCQYMHSA-N 1 1 179.223 0.689 10 0 ACAEMO CN[C@H](c1cccs1)[C@H](O)C[NH3+] 259278946 574023326 /nfs/dbraw/zinc/02/33/26/574023326.db2.gz IFLJEZIGDMLNLJ-SVRRBLITSA-N 1 1 186.280 0.328 10 0 ACAEMO C[C@H]([NH3+])C(=O)c1cc(O)ccc1O 223757023 574023345 /nfs/dbraw/zinc/02/33/45/574023345.db2.gz GWDPOQIUHSVFFD-YFKPBYRVSA-N 1 1 181.191 0.628 10 0 ACAEMO C[C@@H]([NH3+])C(=O)c1cc(O)ccc1O 223757076 574023366 /nfs/dbraw/zinc/02/33/66/574023366.db2.gz GWDPOQIUHSVFFD-RXMQYKEDSA-N 1 1 181.191 0.628 10 0 ACAEMO Nc1cncc(NCc2cnc[nH]2)n1 87724522 574023396 /nfs/dbraw/zinc/02/33/96/574023396.db2.gz UIXBHCBEBTVWKH-UHFFFAOYSA-N 1 1 190.210 0.394 10 0 ACAEMO Cc1cc([C@@H]2CNCC[NH2+]2)c[nH]c1=O 104510180 574023414 /nfs/dbraw/zinc/02/34/14/574023414.db2.gz PDGSGACUEWHVRB-VIFPVBQESA-N 1 1 193.250 0.330 10 0 ACAEMO NC(=S)[C@H]1CCC[N@H+]1CCF 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C[C@@H](C[NH+](C)C)N1CCN(C)CC1 198475939 168341568 /nfs/dbraw/zinc/34/15/68/168341568.db2.gz BFFGCZUZWAAJSC-JTQLQIEISA-N 1 1 185.315 0.184 10 0 ACAEMO C[C@@H](CN(CCO)C1CC1)C(N)=[NH2+] 42479696 168342139 /nfs/dbraw/zinc/34/21/39/168342139.db2.gz NBBGAGZIKGCCIW-ZETCQYMHSA-N 1 1 185.271 0.015 10 0 ACAEMO C[C@@H](CN)[N@@H+](CCO)C1CCCC1 43513870 168342724 /nfs/dbraw/zinc/34/27/24/168342724.db2.gz JXNZKUIVODPQPX-VIFPVBQESA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@@H](CN)[N@H+](C)[C@@H]1CCSC1 37174376 168342804 /nfs/dbraw/zinc/34/28/04/168342804.db2.gz YUWROBNMLKICGW-JGVFFNPUSA-N 1 1 174.313 0.771 10 0 ACAEMO C[C@@H](CN)[N@@H+](C)[C@@H]1CCSC1 37174376 168342806 /nfs/dbraw/zinc/34/28/06/168342806.db2.gz YUWROBNMLKICGW-JGVFFNPUSA-N 1 1 174.313 0.771 10 0 ACAEMO C[C@@H](CN)[N@@H+](C)C1CCOCC1 36320671 168343136 /nfs/dbraw/zinc/34/31/36/168343136.db2.gz YMUPVUGHQWLLKI-QMMMGPOBSA-N 1 1 172.272 0.444 10 0 ACAEMO C[C@@H](C[NH3+])N(C)C1CCOCC1 36320671 168343139 /nfs/dbraw/zinc/34/31/39/168343139.db2.gz YMUPVUGHQWLLKI-QMMMGPOBSA-N 1 1 172.272 0.444 10 0 ACAEMO C[C@@H](C[NH3+])CN1CCSCC1 35725295 168343545 /nfs/dbraw/zinc/34/35/45/168343545.db2.gz ZCPFAGDEQXNRMX-QMMMGPOBSA-N 1 1 174.313 0.630 10 0 ACAEMO C[C@@H](C[NH3+])CN1CCN(C2CC2)CC1 42489601 168344027 /nfs/dbraw/zinc/34/40/27/168344027.db2.gz KMOLMBAHQDTYOT-JTQLQIEISA-N 1 1 197.326 0.361 10 0 ACAEMO C[C@@H](C[NH3+])CN(C)C(=O)c1ccn[nH]1 62775145 168344082 /nfs/dbraw/zinc/34/40/82/168344082.db2.gz CXRLGRMFMWNKJZ-ZETCQYMHSA-N 1 1 196.254 0.077 10 0 ACAEMO C[C@@H](CN)[NH+]1CCC(CO)CC1 20179219 168344580 /nfs/dbraw/zinc/34/45/80/168344580.db2.gz DSUJNVPHERGJGM-QMMMGPOBSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@@H](CN)[N@H+]1CCCC[C@@H]1CCO 43513317 168344745 /nfs/dbraw/zinc/34/47/45/168344745.db2.gz OZOJBKAWWZIJRY-VHSXEESVSA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@@H](C[NH3+])N1CCCC[C@@H]1CCO 43513317 168344746 /nfs/dbraw/zinc/34/47/46/168344746.db2.gz OZOJBKAWWZIJRY-VHSXEESVSA-N 1 1 186.299 0.571 10 0 ACAEMO C[C@@H](CN)[N@H+]1CCC[C@@H]1C 37910310 168344770 /nfs/dbraw/zinc/34/47/70/168344770.db2.gz MYKMMSTYMAAXMU-YUMQZZPRSA-N 1 1 142.246 0.818 10 0 ACAEMO C[C@@H](CN)[N@@H+]1CCC[C@H](CO)C1 43513577 168344826 /nfs/dbraw/zinc/34/48/26/168344826.db2.gz BLXCAMBLNLTJHF-IUCAKERBSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@@H](CN)[N@H+]1CCC[C@H](CO)C1 43513577 168344828 /nfs/dbraw/zinc/34/48/28/168344828.db2.gz BLXCAMBLNLTJHF-IUCAKERBSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@@H](C[NH3+])[N@@H+]1CCC[C@H](C(=O)[O-])C1 58006918 168345140 /nfs/dbraw/zinc/34/51/40/168345140.db2.gz GVKKBXNGHTVGMP-YUMQZZPRSA-N 1 1 186.255 0.130 10 0 ACAEMO C[C@@H](C[NH3+])[N@H+]1CCC[C@H](C(=O)[O-])C1 58006918 168345142 /nfs/dbraw/zinc/34/51/42/168345142.db2.gz GVKKBXNGHTVGMP-YUMQZZPRSA-N 1 1 186.255 0.130 10 0 ACAEMO C[C@@H](CN)[N@H+]1CC=CCC1 75423205 168345174 /nfs/dbraw/zinc/34/51/74/168345174.db2.gz KPUMGTGTCKPQEB-QMMMGPOBSA-N 1 1 140.230 0.596 10 0 ACAEMO C[C@@H](CN)[N@@H+]1CC=CCC1 75423205 168345176 /nfs/dbraw/zinc/34/51/76/168345176.db2.gz KPUMGTGTCKPQEB-QMMMGPOBSA-N 1 1 140.230 0.596 10 0 ACAEMO C[C@@H](CN)[N@@H+]1CCCC[C@@H]1CO 43513641 168345343 /nfs/dbraw/zinc/34/53/43/168345343.db2.gz VGMFKPZIFCPHNP-DTWKUNHWSA-N 1 1 172.272 0.180 10 0 ACAEMO C[C@@H](CN)[N@H+]1CCCC[C@@H]1CO 43513641 168345345 /nfs/dbraw/zinc/34/53/45/168345345.db2.gz VGMFKPZIFCPHNP-DTWKUNHWSA-N 1 1 172.272 0.180 10 0 ACAEMO C[C@@H](CN)[N@H+]1CCC[C@H]1C 37910309 168345566 /nfs/dbraw/zinc/34/55/66/168345566.db2.gz MYKMMSTYMAAXMU-SFYZADRCSA-N 1 1 142.246 0.818 10 0 ACAEMO C[C@@H](CN)[N@@H+]1CCCSCC1 42443534 168345620 /nfs/dbraw/zinc/34/56/20/168345620.db2.gz OXSVCJWTINCQNL-QMMMGPOBSA-N 1 1 174.313 0.773 10 0 ACAEMO C[C@@H](CN)[N@H+]1CCCSCC1 42443534 168345621 /nfs/dbraw/zinc/34/56/21/168345621.db2.gz OXSVCJWTINCQNL-QMMMGPOBSA-N 1 1 174.313 0.773 10 0 ACAEMO C[C@@H](C[NH3+])[NH+]1CCC(C(=O)[O-])CC1 58006778 168345778 /nfs/dbraw/zinc/34/57/78/168345778.db2.gz CZKKUJAMHJCSHB-ZETCQYMHSA-N 1 1 186.255 0.130 10 0 ACAEMO C[C@@H](C[NH3+])N1CCN(C2CC2)CC1 42489840 168345795 /nfs/dbraw/zinc/34/57/95/168345795.db2.gz XLDJVPXATDRDIE-VIFPVBQESA-N 1 1 183.299 0.114 10 0 ACAEMO C[C@@H](CN)[N@H+]1CC[C@@H](C)C1 40717166 168345874 /nfs/dbraw/zinc/34/58/74/168345874.db2.gz IUEQVKOJLHOIID-SFYZADRCSA-N 1 1 142.246 0.675 10 0 ACAEMO C[C@@H](CN1CC[NH2+]CC1)C1CC1 82633379 168346164 /nfs/dbraw/zinc/34/61/64/168346164.db2.gz LGCNARGDVACINA-VIFPVBQESA-N 1 1 168.284 0.938 10 0 ACAEMO C[C@@H](C[N@H+]1CCC[NH2+]CC1)C(=O)[O-] 35752759 168346381 /nfs/dbraw/zinc/34/63/81/168346381.db2.gz IBUMYESORPRJTG-QMMMGPOBSA-N 1 1 186.255 0.002 10 0 ACAEMO C[C@@H](C[NH3+])c1nc(C2CC2)n[nH]1 54335013 168346669 /nfs/dbraw/zinc/34/66/69/168346669.db2.gz OMJPEWQIYSWTRV-YFKPBYRVSA-N 1 1 166.228 0.744 10 0 ACAEMO C[C@@H](CN1CCSCC1)C(N)=[NH2+] 36678476 168346915 /nfs/dbraw/zinc/34/69/15/168346915.db2.gz KEGIQFASOGPYOP-ZETCQYMHSA-N 1 1 187.312 0.607 10 0 ACAEMO C[C@@H](C[NH3+])n1cc(O)cn1 82410035 168347138 /nfs/dbraw/zinc/34/71/38/168347138.db2.gz AJCUMNGJGKZYRA-YFKPBYRVSA-N 1 1 141.174 0.108 10 0 ACAEMO C[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C(=O)[O-] 41029076 168347389 /nfs/dbraw/zinc/34/73/89/168347389.db2.gz YPOFHBLEHUSTIA-YUMQZZPRSA-N 1 1 186.255 0.130 10 0 ACAEMO C[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)C(=O)[O-] 41029076 168347390 /nfs/dbraw/zinc/34/73/90/168347390.db2.gz YPOFHBLEHUSTIA-YUMQZZPRSA-N 1 1 186.255 0.130 10 0 ACAEMO C[C@@H](C[NH2+]C1CC1)N1CCN(C)CC1 52379214 168349150 /nfs/dbraw/zinc/34/91/50/168349150.db2.gz LNWSLCHHRDTPRF-JTQLQIEISA-N 1 1 197.326 0.374 10 0 ACAEMO C[C@@H](CO)[NH2+]C[C@H]1CCC[N@@H+](C)C1 54240678 168349821 /nfs/dbraw/zinc/34/98/21/168349821.db2.gz QVTBSBHHRLPJHK-VHSXEESVSA-N 1 1 186.299 0.299 10 0 ACAEMO C[C@@H](CO)[NH2+]C[C@H]1CCCN(C)C1 54240678 168349822 /nfs/dbraw/zinc/34/98/22/168349822.db2.gz QVTBSBHHRLPJHK-VHSXEESVSA-N 1 1 186.299 0.299 10 0 ACAEMO C[C@@H](CO)[N@@H+](C)C1CC1 77260130 168349883 /nfs/dbraw/zinc/34/98/83/168349883.db2.gz KJVIHPOLUHHQRX-LURJTMIESA-N 1 1 129.203 0.461 10 0 ACAEMO C[C@@H](CO)[NH2+][C@@H]1CCCc2[nH]ncc21 306328832 168351065 /nfs/dbraw/zinc/35/10/65/168351065.db2.gz NTRBIUKEFOHTHW-IONNQARKSA-N 1 1 195.266 0.758 10 0 ACAEMO C[C@@H](CO)[N@@H+](C)C(C)(C)O 38637546 168351110 /nfs/dbraw/zinc/35/11/10/168351110.db2.gz GVPYQCRHYGKPDX-LURJTMIESA-N 1 1 147.218 0.027 10 0 ACAEMO C[C@@H](CO)[NH2+]C[C@@H]1CCCN(C)C1 54240676 168351229 /nfs/dbraw/zinc/35/12/29/168351229.db2.gz QVTBSBHHRLPJHK-UWVGGRQHSA-N 1 1 186.299 0.299 10 0 ACAEMO C[C@@H](CO)[N@H+]1Cc2ccc(N)cc2C1 11731043 168351457 /nfs/dbraw/zinc/35/14/57/168351457.db2.gz VZRGKFUHDXRLNZ-QMMMGPOBSA-N 1 1 192.262 0.965 10 0 ACAEMO C[C@@H](CO)[NH2+][C@H]1CCCc2[nH]ncc21 306328831 168352568 /nfs/dbraw/zinc/35/25/68/168352568.db2.gz NTRBIUKEFOHTHW-CBAPKCEASA-N 1 1 195.266 0.758 10 0 ACAEMO C[C@@H](CO)Nc1[nH+]cccc1N 35600424 168352834 /nfs/dbraw/zinc/35/28/34/168352834.db2.gz BUVWONBNNNDHME-LURJTMIESA-N 1 1 167.212 0.457 10 0 ACAEMO C[C@@H](CO)Nc1ccc(N)c[nH+]1 35600446 168353009 /nfs/dbraw/zinc/35/30/09/168353009.db2.gz CERNUWOFMUXIDR-LURJTMIESA-N 1 1 167.212 0.457 10 0 ACAEMO C[C@@H](Cc1cc[nH]c1)[NH+]1CCNCC1 71506634 168353204 /nfs/dbraw/zinc/35/32/04/168353204.db2.gz MDZOTGXEPXFSIV-JTQLQIEISA-N 1 1 193.294 0.851 10 0 ACAEMO C[C@@H](CO)Nc1ccc(N)[nH+]c1 35600404 168353233 /nfs/dbraw/zinc/35/32/33/168353233.db2.gz HSFUXVPWJFHSDL-LURJTMIESA-N 1 1 167.212 0.457 10 0 ACAEMO C[C@@H](Cc1ccco1)[NH2+]CCN 42593917 168354652 /nfs/dbraw/zinc/35/46/52/168354652.db2.gz CEVOROKGSLWCIJ-QMMMGPOBSA-N 1 1 168.240 0.759 10 0 ACAEMO C[C@@H]([NH3+])C(=O)Oc1ccccc1 49804826 168357098 /nfs/dbraw/zinc/35/70/98/168357098.db2.gz HCRMTRJXSDDOIK-SSDOTTSWSA-N 1 1 165.192 0.939 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OC1CCOCC1 40991787 168357361 /nfs/dbraw/zinc/35/73/61/168357361.db2.gz IOPDNAZJZMCTLC-ZCFIWIBFSA-N 1 1 173.212 0.056 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OC[C@H]1CCCCO1 42462844 168357390 /nfs/dbraw/zinc/35/73/90/168357390.db2.gz IATQNBBUTWITLG-HTQZYQBOSA-N 1 1 187.239 0.446 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OCC(C)(C)C 77261252 168357435 /nfs/dbraw/zinc/35/74/35/168357435.db2.gz SNEZZDIOAQXFRI-ZCFIWIBFSA-N 1 1 159.229 0.923 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OC[C@@H]1CCCO1 42462865 168357985 /nfs/dbraw/zinc/35/79/85/168357985.db2.gz JCWZBURBPWVWKO-RQJHMYQMSA-N 1 1 173.212 0.056 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OC[C@H]1CCCO1 42462867 168358130 /nfs/dbraw/zinc/35/81/30/168358130.db2.gz JCWZBURBPWVWKO-RNFRBKRXSA-N 1 1 173.212 0.056 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OC1CCCC1 42462834 168358148 /nfs/dbraw/zinc/35/81/48/168358148.db2.gz GGCMOWHTLXAHMJ-ZCFIWIBFSA-N 1 1 157.213 0.819 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OC[C@@H]1CCCCO1 42462842 168358167 /nfs/dbraw/zinc/35/81/67/168358167.db2.gz IATQNBBUTWITLG-SFYZADRCSA-N 1 1 187.239 0.446 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OCC1CCOCC1 52145914 168359178 /nfs/dbraw/zinc/35/91/78/168359178.db2.gz YQINLVOHKHFDJU-SSDOTTSWSA-N 1 1 187.239 0.303 10 0 ACAEMO C[C@@H]([NH3+])C(=O)OCC1CC1 40396723 168359334 /nfs/dbraw/zinc/35/93/34/168359334.db2.gz VPHUNUDAHCRQAZ-RXMQYKEDSA-N 1 1 143.186 0.287 10 0 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WDUFZKNNPPXMPV-VIFPVBQESA-N 1 1 194.282 0.974 10 0 ACAEMO Cn1ccnc1NC[C@H]1CCC[NH2+]1 53255418 169054262 /nfs/dbraw/zinc/05/42/62/169054262.db2.gz RLHUFKRSTKAWLU-MRVPVSSYSA-N 1 1 180.255 0.584 10 0 ACAEMO Cn1cc[nH+]c1[Si](C)(C)C 195758741 169054404 /nfs/dbraw/zinc/05/44/04/169054404.db2.gz UAYUBMFLEZJDIE-UHFFFAOYSA-N 1 1 154.289 0.965 10 0 ACAEMO Cn1ccnc1N[C@H]1CC[NH2+]C1 52093969 169054441 /nfs/dbraw/zinc/05/44/41/169054441.db2.gz UKQJHPYEDPLGBZ-ZETCQYMHSA-N 1 1 166.228 0.194 10 0 ACAEMO Cn1c[nH+]c2c1CC[C@H](O)C2 76087243 169054872 /nfs/dbraw/zinc/05/48/72/169054872.db2.gz NPMCVIIWRWJRHE-LURJTMIESA-N 1 1 152.197 0.270 10 0 ACAEMO Cn1c[nH+]c2c1CCC2 39073550 169054906 /nfs/dbraw/zinc/05/49/06/169054906.db2.gz BLUUHKFIOWPMKS-UHFFFAOYSA-N 1 1 122.171 0.909 10 0 ACAEMO Cn1c[nH+]c2c1CCC[C@H]2CO 76087464 169055300 /nfs/dbraw/zinc/05/53/00/169055300.db2.gz GGULOJLICBAVFX-ZETCQYMHSA-N 1 1 166.224 0.832 10 0 ACAEMO Cn1cnc2c(NN)[nH+]ccc21 3188059 169055974 /nfs/dbraw/zinc/05/59/74/169055974.db2.gz FSTBYMKRQVXZJG-UHFFFAOYSA-N 1 1 163.184 0.254 10 0 ACAEMO Cn1c[nH+]c2c1CC[C@@H](O)C2 76087244 169056393 /nfs/dbraw/zinc/05/63/93/169056393.db2.gz NPMCVIIWRWJRHE-ZCFIWIBFSA-N 1 1 152.197 0.270 10 0 ACAEMO Cn1cnc2c1C[NH2+]C2 82411592 169056501 /nfs/dbraw/zinc/05/65/01/169056501.db2.gz RBUWUIIKUUSVJE-UHFFFAOYSA-N 1 1 123.159 0.023 10 0 ACAEMO Cn1c[nH+]c2c1CCC[C@@H]2CO 76087461 169056555 /nfs/dbraw/zinc/05/65/55/169056555.db2.gz GGULOJLICBAVFX-SSDOTTSWSA-N 1 1 166.224 0.832 10 0 ACAEMO Cn1cnc2cc(C(=O)C[NH3+])ccc21 74368001 169056691 /nfs/dbraw/zinc/05/66/91/169056691.db2.gz ODXOXCCZQLJCRI-UHFFFAOYSA-N 1 1 189.218 0.715 10 0 ACAEMO Cn1cncc1[C@H]1COCC[NH2+]1 82852939 169057380 /nfs/dbraw/zinc/05/73/80/169057380.db2.gz UPEALORJIARQFG-SSDOTTSWSA-N 1 1 167.212 0.081 10 0 ACAEMO Cn1cncc1[C@@H]1COCC[NH2+]1 82852938 169058060 /nfs/dbraw/zinc/05/80/60/169058060.db2.gz UPEALORJIARQFG-ZETCQYMHSA-N 1 1 167.212 0.081 10 0 ACAEMO Cn1c[nH+]c2cc(NN)ccc21 39081608 169058486 /nfs/dbraw/zinc/05/84/86/169058486.db2.gz KNZMODSCSZAFBE-UHFFFAOYSA-N 1 1 162.196 0.859 10 0 ACAEMO Cn1c[nH+]c2cc(NCCO)ccc21 77276247 169058557 /nfs/dbraw/zinc/05/85/57/169058557.db2.gz IGGYHAJEQZQKLD-UHFFFAOYSA-N 1 1 191.234 0.978 10 0 ACAEMO Cn1nc(C(=O)C[NH3+])c2ccccc21 82881219 169059145 /nfs/dbraw/zinc/05/91/45/169059145.db2.gz WWFHIKZWRBITCM-UHFFFAOYSA-N 1 1 189.218 0.715 10 0 ACAEMO Cn1cnnc1[C@@H]([NH3+])c1ccncc1 75871593 169059448 /nfs/dbraw/zinc/05/94/48/169059448.db2.gz XFJAMLYNGUNTCW-QMMMGPOBSA-N 1 1 189.222 0.258 10 0 ACAEMO Cn1cnnc1[C@@H]([NH3+])c1ccccc1 54497522 169059646 /nfs/dbraw/zinc/05/96/46/169059646.db2.gz AJPOYIPHOOLJJL-VIFPVBQESA-N 1 1 188.234 0.863 10 0 ACAEMO Cn1cnnc1[C@H]([NH3+])c1ccccc1 54497520 169059723 /nfs/dbraw/zinc/05/97/23/169059723.db2.gz AJPOYIPHOOLJJL-SECBINFHSA-N 1 1 188.234 0.863 10 0 ACAEMO Cn1cnnc1[C@H]([NH3+])c1ccncc1 75871592 169060172 /nfs/dbraw/zinc/06/01/72/169060172.db2.gz XFJAMLYNGUNTCW-MRVPVSSYSA-N 1 1 189.222 0.258 10 0 ACAEMO Cn1nc(C[NH3+])nc1-c1ccco1 82534082 169060671 /nfs/dbraw/zinc/06/06/71/169060671.db2.gz QLSLYNFFMFNQFT-UHFFFAOYSA-N 1 1 178.195 0.534 10 0 ACAEMO Cn1nc(C[NH3+])nc1-c1ccccn1 82530221 169061206 /nfs/dbraw/zinc/06/12/06/169061206.db2.gz VZRDUOAPDRKLJE-UHFFFAOYSA-N 1 1 189.222 0.336 10 0 ACAEMO Cn1nc(C[NH3+])nc1-c1cccnc1 82530223 169061552 /nfs/dbraw/zinc/06/15/52/169061552.db2.gz ODGVSYWFQDTTCG-UHFFFAOYSA-N 1 1 189.222 0.336 10 0 ACAEMO Cn1nc(C[NH3+])nc1-c1cc[nH]c1 82529427 169061779 /nfs/dbraw/zinc/06/17/79/169061779.db2.gz HVPUZPIMQRLSCS-UHFFFAOYSA-N 1 1 177.211 0.269 10 0 ACAEMO Cn1[nH]cc([C@H]2CCC[NH2+]C2)c1=O 83274076 169065732 /nfs/dbraw/zinc/06/57/32/169065732.db2.gz JWUYKTBTLXSRRI-ZETCQYMHSA-N 1 1 181.239 0.593 10 0 ACAEMO Cn1ncc2cc(C(=O)C[NH3+])ccc21 82881252 169065847 /nfs/dbraw/zinc/06/58/47/169065847.db2.gz JXVJFZAJIAQRMM-UHFFFAOYSA-N 1 1 189.218 0.715 10 0 ACAEMO Cn1[nH]cc([C@@H]2CCC[NH2+]C2)c1=O 83274075 169065855 /nfs/dbraw/zinc/06/58/55/169065855.db2.gz JWUYKTBTLXSRRI-SSDOTTSWSA-N 1 1 181.239 0.593 10 0 ACAEMO Cn1ncc2ccc(C(=O)C[NH3+])cc21 82881249 169065921 /nfs/dbraw/zinc/06/59/21/169065921.db2.gz DSKIQIANJLOEFD-UHFFFAOYSA-N 1 1 189.218 0.715 10 0 ACAEMO Cn1ncc2cccc(C(=O)C[NH3+])c21 82881230 169066592 /nfs/dbraw/zinc/06/65/92/169066592.db2.gz UNVVVENVSQNVJK-UHFFFAOYSA-N 1 1 189.218 0.715 10 0 ACAEMO Cn1ncnc1[C@H]([NH3+])c1ccccc1 54498644 169067818 /nfs/dbraw/zinc/06/78/18/169067818.db2.gz GLZCFUKRCAMJGX-SECBINFHSA-N 1 1 188.234 0.863 10 0 ACAEMO Cn1ncnc1[C@@H]([NH3+])c1ccccc1 54498645 169068094 /nfs/dbraw/zinc/06/80/94/169068094.db2.gz GLZCFUKRCAMJGX-VIFPVBQESA-N 1 1 188.234 0.863 10 0 ACAEMO COC(=O)N1CC[N@H+]2CCCC[C@H]2C1 136297469 343979071 /nfs/dbraw/zinc/97/90/71/343979071.db2.gz TYXDHRRXIAETLW-VIFPVBQESA-N 1 1 198.266 0.923 10 0 ACAEMO Cn1nncc1C[N@@H+]1CCC12CCC2 335797238 169069406 /nfs/dbraw/zinc/06/94/06/169069406.db2.gz UETYLOXSKDZQQV-UHFFFAOYSA-N 1 1 192.266 0.944 10 0 ACAEMO Cn1nncc1C[N@H+]1CCC12CCC2 335797238 169069407 /nfs/dbraw/zinc/06/94/07/169069407.db2.gz UETYLOXSKDZQQV-UHFFFAOYSA-N 1 1 192.266 0.944 10 0 ACAEMO FC(F)(F)C1=NC2=[NH+]CCN2C=C1 53678521 169071345 /nfs/dbraw/zinc/07/13/45/169071345.db2.gz DGWOIKVIUHPGSW-UHFFFAOYSA-N 1 1 189.140 0.660 10 0 ACAEMO FC(F)CN[C@@H]1C[NH+]2CCC1CC2 37755826 169073845 /nfs/dbraw/zinc/07/38/45/169073845.db2.gz BSVJXHAAEZGRFR-MRVPVSSYSA-N 1 1 190.237 0.935 10 0 ACAEMO FC(F)CN[C@H]1C[NH+]2CCC1CC2 37755827 169074636 /nfs/dbraw/zinc/07/46/36/169074636.db2.gz BSVJXHAAEZGRFR-QMMMGPOBSA-N 1 1 190.237 0.935 10 0 ACAEMO FCCC[N@@H+]1C[C@H]2COC[C@@H](C1)O2 307685483 169078272 /nfs/dbraw/zinc/07/82/72/169078272.db2.gz YVJLIMJYDZEIET-DTORHVGOSA-N 1 1 189.230 0.446 10 0 ACAEMO FCCCC[NH+]1CCNCC1 39081449 169079402 /nfs/dbraw/zinc/07/94/02/169079402.db2.gz OLBAGPIZVZONTJ-UHFFFAOYSA-N 1 1 160.236 0.641 10 0 ACAEMO F[C@H]1CNC[C@@H]1C[NH2+]C1CC1 39088749 169080659 /nfs/dbraw/zinc/08/06/59/169080659.db2.gz QZFXTAVCZYQMQZ-SVRRBLITSA-N 1 1 158.220 0.296 10 0 ACAEMO F[C@H]1CNC[C@H]1C[NH2+]C1CC1 59649772 169080727 /nfs/dbraw/zinc/08/07/27/169080727.db2.gz QZFXTAVCZYQMQZ-XPUUQOCRSA-N 1 1 158.220 0.296 10 0 ACAEMO Fc1cccc(C[C@@H]2CNCC[NH2+]2)c1 71506755 169085359 /nfs/dbraw/zinc/08/53/59/169085359.db2.gz VXNNJHLNYUADKJ-LLVKDONJSA-N 1 1 194.253 0.930 10 0 ACAEMO Fc1cccc(C[C@H]2CNCC[NH2+]2)c1 71506756 169086378 /nfs/dbraw/zinc/08/63/78/169086378.db2.gz VXNNJHLNYUADKJ-NSHDSACASA-N 1 1 194.253 0.930 10 0 ACAEMO Fc1ccccc1C[C@@H]1CNCC[NH2+]1 71506751 169088410 /nfs/dbraw/zinc/08/84/10/169088410.db2.gz LGJFTGNRCDDJLD-SNVBAGLBSA-N 1 1 194.253 0.930 10 0 ACAEMO Fc1ccccc1C[C@H]1CNCC[NH2+]1 71506752 169088434 /nfs/dbraw/zinc/08/84/34/169088434.db2.gz LGJFTGNRCDDJLD-JTQLQIEISA-N 1 1 194.253 0.930 10 0 ACAEMO Fc1cn2c(n1)C[NH2+]CC2 89211607 169089508 /nfs/dbraw/zinc/08/95/08/169089508.db2.gz KFBKEKVNXIRZIQ-UHFFFAOYSA-N 1 1 141.149 0.125 10 0 ACAEMO [NH3+]C[C@H]1CCCN2CCSC[C@@H]12 82391950 169216638 /nfs/dbraw/zinc/21/66/38/169216638.db2.gz FJMQQWJACMPECH-BDAKNGLRSA-N 1 1 186.324 0.773 10 0 ACAEMO NC(=[NH2+])CSc1nccc(=O)[nH]1 20483971 169136957 /nfs/dbraw/zinc/13/69/57/169136957.db2.gz GLAIWFDLIDARAC-UHFFFAOYSA-N 1 1 184.224 0.210 10 0 ACAEMO NC(=[NH2+])CCN1CCSCC1 20257380 169136964 /nfs/dbraw/zinc/13/69/64/169136964.db2.gz CYEGAEADATXWJU-UHFFFAOYSA-N 1 1 173.285 0.361 10 0 ACAEMO NC(=[NH2+])Cc1nc2ccc(N)cc2[nH]1 76001006 169138049 /nfs/dbraw/zinc/13/80/49/169138049.db2.gz DORYKGOYBDRYDD-UHFFFAOYSA-N 1 1 189.222 0.624 10 0 ACAEMO NC(=[NH2+])c1c(N)oc2c1[C@H](N)CCC2 76193930 169139002 /nfs/dbraw/zinc/13/90/02/169139002.db2.gz XYHCSNUTLYPXEY-SCSAIBSYSA-N 1 1 194.238 0.482 10 0 ACAEMO NC(=[NH2+])Nc1ccc2nc[nH]c2c1 45238336 169139115 /nfs/dbraw/zinc/13/91/15/169139115.db2.gz DHVVFUFEJNDDKN-UHFFFAOYSA-N 1 1 175.195 0.868 10 0 ACAEMO NC(=[NH2+])c1c(N)oc2c1[C@@H](N)CCC2 76193932 169139370 /nfs/dbraw/zinc/13/93/70/169139370.db2.gz XYHCSNUTLYPXEY-BYPYZUCNSA-N 1 1 194.238 0.482 10 0 ACAEMO NC(=[NH2+])c1ccc(-c2nnc[nH]2)cc1 75877630 169139386 /nfs/dbraw/zinc/13/93/86/169139386.db2.gz YDPMOWQMZSRZFE-UHFFFAOYSA-N 1 1 187.206 0.756 10 0 ACAEMO NC(=[NH2+])c1c(N)cccc1O 39059224 169139929 /nfs/dbraw/zinc/13/99/29/169139929.db2.gz WQCPLGXVBBAIQA-UHFFFAOYSA-N 1 1 151.169 0.258 10 0 ACAEMO NC(=[NH2+])SCc1cnc[nH]1 95934304 169139939 /nfs/dbraw/zinc/13/99/39/169139939.db2.gz OSIYUQJMZWEHDC-UHFFFAOYSA-N 1 1 156.214 0.536 10 0 ACAEMO NC(=[NH2+])c1nnc2sccn12 75847901 169140515 /nfs/dbraw/zinc/14/05/15/169140515.db2.gz FDFJZHUQBVVVTA-UHFFFAOYSA-N 1 1 167.197 0.075 10 0 ACAEMO NC(=[NH2+])c1ccc(C(F)(F)F)nn1 75896229 169140704 /nfs/dbraw/zinc/14/07/04/169140704.db2.gz LRVHUIRQXMLGAM-UHFFFAOYSA-N 1 1 190.128 0.779 10 0 ACAEMO [NH2+]=C(NCCN1CCCC1)NC1CC1 54133753 169140796 /nfs/dbraw/zinc/14/07/96/169140796.db2.gz ZPQJHVAQCMEAJG-UHFFFAOYSA-N 1 1 196.298 0.359 10 0 ACAEMO NC(=[NH2+])c1nc2ccccc2[nH]c1=O 238613100 169140912 /nfs/dbraw/zinc/14/09/12/169140912.db2.gz OXKDBFCFQUVRGM-UHFFFAOYSA-N 1 1 188.190 0.207 10 0 ACAEMO [NH2+]=C(NC1CC1)c1cnccn1 62994810 169140956 /nfs/dbraw/zinc/14/09/56/169140956.db2.gz MOSCLKGCXMWYQS-UHFFFAOYSA-N 1 1 162.196 0.554 10 0 ACAEMO [NH2+]=C(NC1CCCC1)N1CCNCC1 52045650 169142061 /nfs/dbraw/zinc/14/20/61/169142061.db2.gz NNURUTXJLPMWAM-UHFFFAOYSA-N 1 1 196.298 0.359 10 0 ACAEMO [NH2+]=C(NO)c1ncc2cnccn12 75848180 169142374 /nfs/dbraw/zinc/14/23/74/169142374.db2.gz ZAZVIPXSGBWLKN-UHFFFAOYSA-N 1 1 177.167 0.033 10 0 ACAEMO NNC(=[NH2+])c1ccc2nc[nH]c2c1 77265733 169143029 /nfs/dbraw/zinc/14/30/29/169143029.db2.gz FYRHEESNTCBLLG-UHFFFAOYSA-N 1 1 175.195 0.352 10 0 ACAEMO [NH2+]=C(NO)c1ccn2ccnc2c1 89201408 169143101 /nfs/dbraw/zinc/14/31/01/169143101.db2.gz LKBPSIJJJLNFJB-UHFFFAOYSA-N 1 1 176.179 0.638 10 0 ACAEMO NNC(=[NH2+])c1cc(Cl)ccn1 68577003 169143177 /nfs/dbraw/zinc/14/31/77/169143177.db2.gz SBHVCNJYBNOYDE-UHFFFAOYSA-N 1 1 170.603 0.524 10 0 ACAEMO NC(=O)[C@@]1(O)CCC[N@H+](C2CCC2)C1 334361936 169143255 /nfs/dbraw/zinc/14/32/55/169143255.db2.gz CJCAVTNZSQYEIT-SNVBAGLBSA-N 1 1 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ACAEMO NC[C@H]([NH2+]CCCO)c1ccccc1 34767285 169213193 /nfs/dbraw/zinc/21/31/93/169213193.db2.gz LJYXNCDJNSYLIU-NSHDSACASA-N 1 1 194.278 0.658 10 0 ACAEMO NC[C@H]([NH3+])c1cccc2nccnc12 44473451 169213214 /nfs/dbraw/zinc/21/32/14/169213214.db2.gz JPFPVNRTXIOLRZ-QMMMGPOBSA-N 1 1 188.234 0.588 10 0 ACAEMO NC[C@H]([NH3+])c1cc(F)c(N)c(F)c1 72200296 169213228 /nfs/dbraw/zinc/21/32/28/169213228.db2.gz BEBIJUIHEUFDFN-ZETCQYMHSA-N 1 1 187.193 0.506 10 0 ACAEMO NC[C@H]([NH3+])c1ccc(N)cc1F 72200050 169213239 /nfs/dbraw/zinc/21/32/39/169213239.db2.gz JCJLOXADZIAKIJ-QMMMGPOBSA-N 1 1 169.203 0.366 10 0 ACAEMO NC[C@H]([NH3+])c1cccc(CO)c1 44469514 169213304 /nfs/dbraw/zinc/21/33/04/169213304.db2.gz FCMXALMUJCIXMH-VIFPVBQESA-N 1 1 166.224 0.137 10 0 ACAEMO NC[C@H]([NH3+])c1ccc(O)c(F)c1 72200066 169213331 /nfs/dbraw/zinc/21/33/31/169213331.db2.gz FYRZOZVXLIXOSL-ZETCQYMHSA-N 1 1 170.187 0.490 10 0 ACAEMO N[C@@H](C[NH3+])c1cc(F)c(O)cc1F 72200308 169213363 /nfs/dbraw/zinc/21/33/63/169213363.db2.gz 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196.181 0.959 10 0 ACAEMO [NH3+][C@H](CO)c1cc(O)c(F)c(F)c1 72197647 169266980 /nfs/dbraw/zinc/26/69/80/169266980.db2.gz LAXYOOVQHURWEA-ZCFIWIBFSA-N 1 1 189.161 0.663 10 0 ACAEMO [NH3+][C@H](CO)c1nc2cccnc2s1 76136116 169267004 /nfs/dbraw/zinc/26/70/04/169267004.db2.gz YZCNUZPTZPOBJR-RXMQYKEDSA-N 1 1 195.247 0.683 10 0 ACAEMO [NH3+][C@H](CO)c1cc(F)c(O)cc1F 72197634 169267119 /nfs/dbraw/zinc/26/71/19/169267119.db2.gz YFDBZBWOEMMCOM-SSDOTTSWSA-N 1 1 189.161 0.663 10 0 ACAEMO [NH3+][C@H](CO)c1nc2ccccc2o1 20376034 169267296 /nfs/dbraw/zinc/26/72/96/169267296.db2.gz LDGOGFHHRYFRJF-ZCFIWIBFSA-N 1 1 178.191 0.820 10 0 ACAEMO [NH3+][C@H](CO)c1nc2cnccc2s1 76136118 169267304 /nfs/dbraw/zinc/26/73/04/169267304.db2.gz CZGSGCYZRUYWOI-RXMQYKEDSA-N 1 1 195.247 0.683 10 0 ACAEMO [NH3+][C@H](CO)c1nc2ccncc2s1 76136114 169267382 /nfs/dbraw/zinc/26/73/82/169267382.db2.gz JODYLEIVADZOCG-RXMQYKEDSA-N 1 1 195.247 0.683 10 0 ACAEMO [NH3+][C@H](Cc1c[nH]cn1)c1ncno1 40454026 169268574 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/nfs/dbraw/zinc/29/27/26/169292726.db2.gz WESPMLODRZFPQV-UHFFFAOYSA-N 1 1 197.238 0.085 10 0 ACAEMO Nc1ccc(N2CCCOCC2)[nH+]c1 61916835 169293018 /nfs/dbraw/zinc/29/30/18/169293018.db2.gz RLFGCISGXIHVRM-UHFFFAOYSA-N 1 1 193.250 0.891 10 0 ACAEMO Nc1ccc(NCCO)c[nH+]1 19953057 169293033 /nfs/dbraw/zinc/29/30/33/169293033.db2.gz VTCSJYIKUDNVRN-UHFFFAOYSA-N 1 1 153.185 0.068 10 0 ACAEMO Nc1ccc(NCc2cc[nH]n2)c[nH+]1 41014270 169293164 /nfs/dbraw/zinc/29/31/64/169293164.db2.gz IZXJAYLULWSDDX-UHFFFAOYSA-N 1 1 189.222 0.999 10 0 ACAEMO Nc1ccc(NCCOCCO)[nH+]c1 19961644 169293236 /nfs/dbraw/zinc/29/32/36/169293236.db2.gz KRSAMNNHEKSKBE-UHFFFAOYSA-N 1 1 197.238 0.085 10 0 ACAEMO Nc1ccc(N2CC[C@@H](O)C2)c[nH+]1 61709364 169293253 /nfs/dbraw/zinc/29/32/53/169293253.db2.gz FIBWPOGUCLIZFA-MRVPVSSYSA-N 1 1 179.223 0.235 10 0 ACAEMO Nc1ccc(NCCO)[nH+]c1 19952819 169293293 /nfs/dbraw/zinc/29/32/93/169293293.db2.gz VUGGTQQTXVXDTG-UHFFFAOYSA-N 1 1 153.185 0.068 10 0 ACAEMO Nc1ccc([C@H]2CNCC[NH2+]2)cc1 39114027 169293794 /nfs/dbraw/zinc/29/37/94/169293794.db2.gz OVPROXCERHBLGN-SNVBAGLBSA-N 1 1 177.251 0.503 10 0 ACAEMO Nc1ccc([C@H]2COCC[NH2+]2)cn1 76136622 169293824 /nfs/dbraw/zinc/29/38/24/169293824.db2.gz RGOHUFWMAQUZHX-MRVPVSSYSA-N 1 1 179.223 0.325 10 0 ACAEMO Nc1ccc([C@@H]2CNCC[NH2+]2)cc1 39114026 169293910 /nfs/dbraw/zinc/29/39/10/169293910.db2.gz OVPROXCERHBLGN-JTQLQIEISA-N 1 1 177.251 0.503 10 0 ACAEMO Nc1ccc([C@@H]2COCC[NH2+]2)cn1 76136621 169294089 /nfs/dbraw/zinc/29/40/89/169294089.db2.gz RGOHUFWMAQUZHX-QMMMGPOBSA-N 1 1 179.223 0.325 10 0 ACAEMO Nc1ccc2c(c1)C[N@H+](CCCO)C2 11731040 169294399 /nfs/dbraw/zinc/29/43/99/169294399.db2.gz FAAWACVAZDZUBK-UHFFFAOYSA-N 1 1 192.262 0.967 10 0 ACAEMO Nc1ccc2c(c1)[C@H]([NH3+])C(=O)N2 20216993 169294450 /nfs/dbraw/zinc/29/44/50/169294450.db2.gz DHJFQPPGYKJSML-ZETCQYMHSA-N 1 1 163.180 0.221 10 0 ACAEMO Nc1ccc2c(c1)CC[N@H+](CCO)C2 82789877 169294522 /nfs/dbraw/zinc/29/45/22/169294522.db2.gz LBIMZSJYRDOPQC-UHFFFAOYSA-N 1 1 192.262 0.619 10 0 ACAEMO Nc1ccc2c(c1)C[N@H+](CCO)C2 11731035 169294542 /nfs/dbraw/zinc/29/45/42/169294542.db2.gz HCRZONWKNNEFKS-UHFFFAOYSA-N 1 1 178.235 0.577 10 0 ACAEMO Nc1ccc2c([nH+]1)NCCC2=O 75545656 169294676 /nfs/dbraw/zinc/29/46/76/169294676.db2.gz HYUBLBBADLEQAY-UHFFFAOYSA-N 1 1 163.180 0.662 10 0 ACAEMO Nc1ccc2c(c1)[C@@H]([NH3+])C(=O)N2 104791962 169294837 /nfs/dbraw/zinc/29/48/37/169294837.db2.gz DHJFQPPGYKJSML-SSDOTTSWSA-N 1 1 163.180 0.221 10 0 ACAEMO Nc1cccc2c1C[N@@H+](CCCO)C2 11730932 169297605 /nfs/dbraw/zinc/29/76/05/169297605.db2.gz ZRTWEQUFYRPTKK-UHFFFAOYSA-N 1 1 192.262 0.967 10 0 ACAEMO Nc1ccccc1C[N@H+]1CC[C@H](O)C1 61709673 169298378 /nfs/dbraw/zinc/29/83/78/169298378.db2.gz DJUOTQUCDQYKTN-JTQLQIEISA-N 1 1 192.262 0.835 10 0 ACAEMO Nc1ccccc1[C@@H]1COCC[NH2+]1 76136619 169298392 /nfs/dbraw/zinc/29/83/92/169298392.db2.gz RVUSFUBIVBDUSK-JTQLQIEISA-N 1 1 178.235 0.930 10 0 ACAEMO Nc1ccccc1C[N@H+]1CC[C@@H](O)C1 61709674 169298443 /nfs/dbraw/zinc/29/84/43/169298443.db2.gz DJUOTQUCDQYKTN-SNVBAGLBSA-N 1 1 192.262 0.835 10 0 ACAEMO Nc1ccccc1[C@H]1COCC[NH2+]1 76136620 169298805 /nfs/dbraw/zinc/29/88/05/169298805.db2.gz RVUSFUBIVBDUSK-SNVBAGLBSA-N 1 1 178.235 0.930 10 0 ACAEMO Nc1ccc[nH+]c1NC[C@@H](O)C1CC1 70882153 169299188 /nfs/dbraw/zinc/29/91/88/169299188.db2.gz JIBYATRJIYPYIX-SECBINFHSA-N 1 1 193.250 0.847 10 0 ACAEMO Nc1ccn2[nH+]cccc12 26049167 169299208 /nfs/dbraw/zinc/29/92/08/169299208.db2.gz FJXVEDCEYUZQOK-UHFFFAOYSA-N 1 1 133.154 0.917 10 0 ACAEMO Nc1ccc[nH+]c1NCc1cn[nH]c1 42358479 169299238 /nfs/dbraw/zinc/29/92/38/169299238.db2.gz PIYMHHRXLTZWED-UHFFFAOYSA-N 1 1 189.222 0.999 10 0 ACAEMO Nc1ccc[nH+]c1NC[C@H](O)C1CC1 70882150 169299278 /nfs/dbraw/zinc/29/92/78/169299278.db2.gz JIBYATRJIYPYIX-VIFPVBQESA-N 1 1 193.250 0.847 10 0 ACAEMO Nc1ccc[nH+]c1N1CCC[C@H]1CO 42433963 169299432 /nfs/dbraw/zinc/29/94/32/169299432.db2.gz DJUAIYJPEGCDPD-QMMMGPOBSA-N 1 1 193.250 0.625 10 0 ACAEMO Nc1ccc[nH+]c1NCc1cc[nH]n1 41014482 169299702 /nfs/dbraw/zinc/29/97/02/169299702.db2.gz RXIODSLGJAVOQO-UHFFFAOYSA-N 1 1 189.222 0.999 10 0 ACAEMO Nc1ccc[nH+]c1N1CCCOCC1 61916848 169299756 /nfs/dbraw/zinc/29/97/56/169299756.db2.gz NNZXZQSEOVCMMP-UHFFFAOYSA-N 1 1 193.250 0.891 10 0 ACAEMO Nc1ccc[nH+]c1NCCOCCO 20278667 169299866 /nfs/dbraw/zinc/29/98/66/169299866.db2.gz QLIKYKGBTALLEP-UHFFFAOYSA-N 1 1 197.238 0.085 10 0 ACAEMO Nc1ccc[nH+]c1N(CCO)C1CC1 42479038 169300078 /nfs/dbraw/zinc/30/00/78/169300078.db2.gz CFPASQZHBPDVEO-UHFFFAOYSA-N 1 1 193.250 0.625 10 0 ACAEMO Nc1ccc[nH+]c1N1CCC[C@@H]1CO 42433962 169300166 /nfs/dbraw/zinc/30/01/66/169300166.db2.gz DJUAIYJPEGCDPD-MRVPVSSYSA-N 1 1 193.250 0.625 10 0 ACAEMO Nc1cc[nH+]c(SCCO)c1 43569729 169300602 /nfs/dbraw/zinc/30/06/02/169300602.db2.gz YWZZHFPLZMPKFZ-UHFFFAOYSA-N 1 1 170.237 0.748 10 0 ACAEMO Nc1cc[nH+]cc1[C@@H]([NH3+])CC(=O)[O-] 44219702 169300743 /nfs/dbraw/zinc/30/07/43/169300743.db2.gz OBRFXNYBHPOCDK-ZETCQYMHSA-N 1 1 181.195 0.138 10 0 ACAEMO Nc1cc[nH+]cc1[C@H]([NH3+])CC(=O)[O-] 44219698 169300752 /nfs/dbraw/zinc/30/07/52/169300752.db2.gz OBRFXNYBHPOCDK-SSDOTTSWSA-N 1 1 181.195 0.138 10 0 ACAEMO Nc1ccnc2c1C[NH2+]C2 95764198 169300994 /nfs/dbraw/zinc/30/09/94/169300994.db2.gz CGGCHNJMPGVXNL-UHFFFAOYSA-N 1 1 135.170 0.267 10 0 ACAEMO Nc1c[nH]nc1[C@H]1CCCC[NH2+]1 75914047 169301001 /nfs/dbraw/zinc/30/10/01/169301001.db2.gz FSVVIYKUMPLIBI-SSDOTTSWSA-N 1 1 166.228 0.807 10 0 ACAEMO Nc1cc[nH+]c2c1NCCO2 24626118 169301115 /nfs/dbraw/zinc/30/11/15/169301115.db2.gz BZZWNZAMBICMFL-UHFFFAOYSA-N 1 1 151.169 0.468 10 0 ACAEMO Nc1c[nH]nc1[C@@H]1CCCC[NH2+]1 75914046 169301160 /nfs/dbraw/zinc/30/11/60/169301160.db2.gz FSVVIYKUMPLIBI-ZETCQYMHSA-N 1 1 166.228 0.807 10 0 ACAEMO Nc1c[nH+]c2c(C=O)cccn12 82405189 169302083 /nfs/dbraw/zinc/30/20/83/169302083.db2.gz VCCUTEIAJRNMOF-UHFFFAOYSA-N 1 1 161.164 0.729 10 0 ACAEMO Nc1c[nH+]c(N)c(OC2CC2)c1 95737339 169302198 /nfs/dbraw/zinc/30/21/98/169302198.db2.gz IJAXXRUNUSPLGM-UHFFFAOYSA-N 1 1 165.196 0.787 10 0 ACAEMO Nc1c[nH+]cc(N)c1OC1CC1 95737365 169302392 /nfs/dbraw/zinc/30/23/92/169302392.db2.gz JTKHSVPJDIEBMJ-UHFFFAOYSA-N 1 1 165.196 0.787 10 0 ACAEMO Nc1[nH+]c(-c2cc[nH]c2)cn1N 71495704 169304504 /nfs/dbraw/zinc/30/45/04/169304504.db2.gz VDPGDFPTKNJFRP-UHFFFAOYSA-N 1 1 163.184 0.174 10 0 ACAEMO Nc1[nH+]c(-c2cccs2)cn1N 71498173 169304735 /nfs/dbraw/zinc/30/47/35/169304735.db2.gz RHNWIHHPRABBOY-UHFFFAOYSA-N 1 1 180.236 0.908 10 0 ACAEMO Nc1nc(N)c2c(F)c(N)ccc2[nH+]1 5387527 169305314 /nfs/dbraw/zinc/30/53/14/169305314.db2.gz TUUQLPPTCMNQIR-UHFFFAOYSA-N 1 1 193.185 0.516 10 0 ACAEMO Nc1nc(Nc2cc[nH+]cc2)n[nH]1 72417592 169305438 /nfs/dbraw/zinc/30/54/38/169305438.db2.gz YZSIGNPHROPJQY-UHFFFAOYSA-N 1 1 176.183 0.526 10 0 ACAEMO Nc1nc(N)c2cc(CO)ccc2[nH+]1 5974305 169305568 /nfs/dbraw/zinc/30/55/68/169305568.db2.gz PPNGJOWRIQGLBC-UHFFFAOYSA-N 1 1 190.206 0.287 10 0 ACAEMO Nc1[nH]c2cc3c(cc2[nH+]1)C(=O)NC3 95922773 169306450 /nfs/dbraw/zinc/30/64/50/169306450.db2.gz OVQIEVXVRFTYQY-UHFFFAOYSA-N 1 1 188.190 0.389 10 0 ACAEMO Nc1[nH]c2ccc(C=O)cc2[nH+]1 95922892 169306522 /nfs/dbraw/zinc/30/65/22/169306522.db2.gz OTYYSRAFUKPFCL-UHFFFAOYSA-N 1 1 161.164 0.958 10 0 ACAEMO Nc1[nH]c2cc(C=O)ccc2[nH+]1 95922892 169306523 /nfs/dbraw/zinc/30/65/23/169306523.db2.gz OTYYSRAFUKPFCL-UHFFFAOYSA-N 1 1 161.164 0.958 10 0 ACAEMO Nc1[nH+]c2ccc(Cl)cc2n1N 95922895 169306803 /nfs/dbraw/zinc/30/68/03/169306803.db2.gz JNWHLNNMTYMQNI-UHFFFAOYSA-N 1 1 182.614 0.986 10 0 ACAEMO Nc1[nH]c2c([nH+]1)CCCN2 76131581 169307413 /nfs/dbraw/zinc/30/74/13/169307413.db2.gz KGMIRDUBGHRLTB-UHFFFAOYSA-N 1 1 138.174 0.350 10 0 ACAEMO Nc1nc(N)c(-c2ccncc2)c[nH+]1 26276805 169307687 /nfs/dbraw/zinc/30/76/87/169307687.db2.gz UWTQIJQXDOAVOE-UHFFFAOYSA-N 1 1 187.206 0.703 10 0 ACAEMO Nc1[nH+]c2ccccc2n1NC=O 95923092 169307929 /nfs/dbraw/zinc/30/79/29/169307929.db2.gz JAKRNJFXKKQYIY-UHFFFAOYSA-N 1 1 176.179 0.318 10 0 ACAEMO Nc1nc(N)c(Cc2ccco2)c[nH+]1 19729604 169307969 /nfs/dbraw/zinc/30/79/69/169307969.db2.gz WIEUKDOUHPXPCT-UHFFFAOYSA-N 1 1 190.206 0.825 10 0 ACAEMO Nc1[nH+]c2cccc(F)c2n1N 75947227 169308182 /nfs/dbraw/zinc/30/81/82/169308182.db2.gz NVAWJLZPXPEPCQ-UHFFFAOYSA-N 1 1 166.159 0.471 10 0 ACAEMO Nc1[nH+]cccc1Cn1ccnc1 52732297 169308825 /nfs/dbraw/zinc/30/88/25/169308825.db2.gz DSFXFSBRWXQWTE-UHFFFAOYSA-N 1 1 174.207 0.909 10 0 ACAEMO Nc1nc(-n2cccc2)cc[nH+]1 72192652 169308905 /nfs/dbraw/zinc/30/89/05/169308905.db2.gz XXYPCOGXMDOERM-UHFFFAOYSA-N 1 1 160.180 0.850 10 0 ACAEMO Nc1nc2[nH]cc(C=O)c2c[nH+]1 82404930 169309057 /nfs/dbraw/zinc/30/90/57/169309057.db2.gz FSQVFCHVPLUBDI-UHFFFAOYSA-N 1 1 162.152 0.353 10 0 ACAEMO Nc1nc2c(c[nH+]1)CCN2C1CC1 82398708 169309074 /nfs/dbraw/zinc/30/90/74/169309074.db2.gz AWRXFCPELCYHHZ-UHFFFAOYSA-N 1 1 176.223 0.584 10 0 ACAEMO Nc1nc2c(c[nH+]1)CCCN2 39048553 169309124 /nfs/dbraw/zinc/30/91/24/169309124.db2.gz JMHMEOOBIFYRQC-UHFFFAOYSA-N 1 1 150.185 0.417 10 0 ACAEMO Nc1[nH+]ccc2c1CC(=O)N2 95763487 169309221 /nfs/dbraw/zinc/30/92/21/169309221.db2.gz IAWJZAWTRBMXEC-UHFFFAOYSA-N 1 1 149.153 0.158 10 0 ACAEMO Nc1[nH+]cccc1Cn1cccn1 52732242 169309399 /nfs/dbraw/zinc/30/93/99/169309399.db2.gz RNONXOWLUZMHIG-UHFFFAOYSA-N 1 1 174.207 0.909 10 0 ACAEMO Nc1[nH+]cn2ccncc12 169040514 169309538 /nfs/dbraw/zinc/30/95/38/169309538.db2.gz JDSULWCNSMLYFM-UHFFFAOYSA-N 1 1 134.142 0.312 10 0 ACAEMO Nc1[nH+]cccc1Cn1cncn1 52732267 169309641 /nfs/dbraw/zinc/30/96/41/169309641.db2.gz HLCLJBHDRAIXSG-UHFFFAOYSA-N 1 1 175.195 0.304 10 0 ACAEMO Nc1[nH+]cnc(NC2CCCC2)c1N 40724110 169309937 /nfs/dbraw/zinc/30/99/37/169309937.db2.gz XMZYLHYZVYDBHY-UHFFFAOYSA-N 1 1 193.254 0.996 10 0 ACAEMO Nc1nc[nH+]c(NC2CCCC2)c1N 40724110 169309939 /nfs/dbraw/zinc/30/99/39/169309939.db2.gz XMZYLHYZVYDBHY-UHFFFAOYSA-N 1 1 193.254 0.996 10 0 ACAEMO Nc1[nH+]cnc2c1CCCN2 24619735 169310147 /nfs/dbraw/zinc/31/01/47/169310147.db2.gz MSIXAVDUAUFHHR-UHFFFAOYSA-N 1 1 150.185 0.417 10 0 ACAEMO Nc1[nH+]cnc(N2CCCC2)c1N 34191697 169310414 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343382530 /nfs/dbraw/zinc/38/25/30/343382530.db2.gz ZRFFEPVWURSNJD-QMMMGPOBSA-N 1 1 180.255 0.190 10 0 ACAEMO [NH3+]Cc1cnc(N2CCCC2)[nH]1 62820829 343382594 /nfs/dbraw/zinc/38/25/94/343382594.db2.gz VQOSEQXOBVQRAD-UHFFFAOYSA-N 1 1 166.228 0.469 10 0 ACAEMO [NH3+]C[C@H]1CCCN(Cc2cnc[nH]2)C1 62821818 343382658 /nfs/dbraw/zinc/38/26/58/343382658.db2.gz CENODKAJCDGZAP-SECBINFHSA-N 1 1 194.282 0.580 10 0 ACAEMO C[NH2+]Cc1c[nH]c(N2CCCC2)n1 62820949 343382695 /nfs/dbraw/zinc/38/26/95/343382695.db2.gz UEWGBQDACKQMIF-UHFFFAOYSA-N 1 1 180.255 0.729 10 0 ACAEMO CCc1nc(C[NH2+]C)c[nH]1 62820891 343382709 /nfs/dbraw/zinc/38/27/09/343382709.db2.gz CJBDQAATLFGKGK-UHFFFAOYSA-N 1 1 139.202 0.692 10 0 ACAEMO C[NH2+]Cc1c[nH]c(N(C)C)n1 62820955 343382733 /nfs/dbraw/zinc/38/27/33/343382733.db2.gz RJZFXDDBGMMNNG-UHFFFAOYSA-N 1 1 154.217 0.195 10 0 ACAEMO C[NH2+][C@H]1CCCN(Cc2cnc[nH]2)C1 62821829 343382743 /nfs/dbraw/zinc/38/27/43/343382743.db2.gz IAYHIXPWTUYHNU-VIFPVBQESA-N 1 1 194.282 0.594 10 0 ACAEMO C[C@@H]1C[NH2+]CCN1Cc1cnc[nH]1 62821830 343382814 /nfs/dbraw/zinc/38/28/14/343382814.db2.gz HMPQJVPMZVIXSI-MRVPVSSYSA-N 1 1 180.255 0.203 10 0 ACAEMO C[C@H]1C[NH2+]CCN1Cc1cnc[nH]1 62821831 343382824 /nfs/dbraw/zinc/38/28/24/343382824.db2.gz HMPQJVPMZVIXSI-QMMMGPOBSA-N 1 1 180.255 0.203 10 0 ACAEMO [NH3+][C@@H]1CCCN(Cc2cnc[nH]2)C1 62821816 343382866 /nfs/dbraw/zinc/38/28/66/343382866.db2.gz KEIKJBCFSVVVMJ-MRVPVSSYSA-N 1 1 180.255 0.333 10 0 ACAEMO [NH3+]C[C@@H]1CCCN(Cc2cnc[nH]2)C1 62821819 343382874 /nfs/dbraw/zinc/38/28/74/343382874.db2.gz CENODKAJCDGZAP-VIFPVBQESA-N 1 1 194.282 0.580 10 0 ACAEMO CC1(c2nc[nH]n2)CC[NH2+]CC1 62843468 343383158 /nfs/dbraw/zinc/38/31/58/343383158.db2.gz PLAYHIMVWYROKY-UHFFFAOYSA-N 1 1 166.228 0.446 10 0 ACAEMO Cc1nc(C2(C)CC[NH2+]CC2)n[nH]1 62843433 343383294 /nfs/dbraw/zinc/38/32/94/343383294.db2.gz XOQSWCIUHPDCLQ-UHFFFAOYSA-N 1 1 180.255 0.754 10 0 ACAEMO Cc1nnc(C2(C)CC[NH2+]CC2)[nH]1 62843433 343383297 /nfs/dbraw/zinc/38/32/97/343383297.db2.gz XOQSWCIUHPDCLQ-UHFFFAOYSA-N 1 1 180.255 0.754 10 0 ACAEMO Cc1n[nH]c([C@]2(C)CCC[NH2+]C2)n1 62872548 343383912 /nfs/dbraw/zinc/38/39/12/343383912.db2.gz JYTCLCHGVTWANS-SECBINFHSA-N 1 1 180.255 0.754 10 0 ACAEMO Cc1nc([C@]2(C)CCC[NH2+]C2)n[nH]1 62872548 343383915 /nfs/dbraw/zinc/38/39/15/343383915.db2.gz JYTCLCHGVTWANS-SECBINFHSA-N 1 1 180.255 0.754 10 0 ACAEMO Cc1n[nH]c([C@@]2(C)CCC[NH2+]C2)n1 62872549 343384193 /nfs/dbraw/zinc/38/41/93/343384193.db2.gz JYTCLCHGVTWANS-VIFPVBQESA-N 1 1 180.255 0.754 10 0 ACAEMO Cc1nc([C@@]2(C)CCC[NH2+]C2)n[nH]1 62872549 343384194 /nfs/dbraw/zinc/38/41/94/343384194.db2.gz JYTCLCHGVTWANS-VIFPVBQESA-N 1 1 180.255 0.754 10 0 ACAEMO CC[C@]1(CN)CC[NH2+]C1 62911463 343384544 /nfs/dbraw/zinc/38/45/44/343384544.db2.gz PPVFMYCLJOAUFJ-SSDOTTSWSA-N 1 1 128.219 0.335 10 0 ACAEMO CCC[C@@]1(CN)CC[NH2+]C1 62911466 343384605 /nfs/dbraw/zinc/38/46/05/343384605.db2.gz IHSSLFQBCFYYBP-QMMMGPOBSA-N 1 1 142.246 0.725 10 0 ACAEMO CC[C@]1(CN(C)C)CC[NH2+]C1 62910973 343384673 /nfs/dbraw/zinc/38/46/73/343384673.db2.gz OZRDDWBAQAGPOW-VIFPVBQESA-N 1 1 156.273 0.938 10 0 ACAEMO CCC[C@]1(CN)CC[NH2+]C1 62911465 343384678 /nfs/dbraw/zinc/38/46/78/343384678.db2.gz IHSSLFQBCFYYBP-MRVPVSSYSA-N 1 1 142.246 0.725 10 0 ACAEMO CC[C@@]1(CN)CC[NH2+]C1 62911464 343384813 /nfs/dbraw/zinc/38/48/13/343384813.db2.gz PPVFMYCLJOAUFJ-ZETCQYMHSA-N 1 1 128.219 0.335 10 0 ACAEMO CC[C@@]1(CN(C)C)CC[NH2+]C1 62910974 343384830 /nfs/dbraw/zinc/38/48/30/343384830.db2.gz OZRDDWBAQAGPOW-SECBINFHSA-N 1 1 156.273 0.938 10 0 ACAEMO CCc1n[nH]c([C@@]2(C)CC[NH2+]C2)n1 62920540 343385045 /nfs/dbraw/zinc/38/50/45/343385045.db2.gz IEYITSGELUJOFX-VIFPVBQESA-N 1 1 180.255 0.618 10 0 ACAEMO CCc1nc([C@@]2(C)CC[NH2+]C2)n[nH]1 62920540 343385046 /nfs/dbraw/zinc/38/50/46/343385046.db2.gz IEYITSGELUJOFX-VIFPVBQESA-N 1 1 180.255 0.618 10 0 ACAEMO C[C@]1(c2nc(C3CC3)n[nH]2)CC[NH2+]C1 62920685 343385151 /nfs/dbraw/zinc/38/51/51/343385151.db2.gz IXHGCXOOGZAUJD-JTQLQIEISA-N 1 1 192.266 0.933 10 0 ACAEMO CCc1n[nH]c([C@]2(C)CC[NH2+]C2)n1 62920538 343385206 /nfs/dbraw/zinc/38/52/06/343385206.db2.gz IEYITSGELUJOFX-SECBINFHSA-N 1 1 180.255 0.618 10 0 ACAEMO CCc1nc([C@]2(C)CC[NH2+]C2)n[nH]1 62920538 343385208 /nfs/dbraw/zinc/38/52/08/343385208.db2.gz IEYITSGELUJOFX-SECBINFHSA-N 1 1 180.255 0.618 10 0 ACAEMO Cc1n[nH]c([C@]2(C)CC[NH2+]C2)n1 62920508 343385286 /nfs/dbraw/zinc/38/52/86/343385286.db2.gz WWMKHBNYXZCETQ-MRVPVSSYSA-N 1 1 166.228 0.364 10 0 ACAEMO Cc1nc([C@]2(C)CC[NH2+]C2)n[nH]1 62920508 343385288 /nfs/dbraw/zinc/38/52/88/343385288.db2.gz WWMKHBNYXZCETQ-MRVPVSSYSA-N 1 1 166.228 0.364 10 0 ACAEMO CC[C@@]1(c2nc(C)n[nH]2)CC[NH2+]C1 62920520 343385298 /nfs/dbraw/zinc/38/52/98/343385298.db2.gz QEELJFIOEYLRGZ-SECBINFHSA-N 1 1 180.255 0.754 10 0 ACAEMO CC[C@@]1(c2n[nH]c(C)n2)CC[NH2+]C1 62920520 343385301 /nfs/dbraw/zinc/38/53/01/343385301.db2.gz QEELJFIOEYLRGZ-SECBINFHSA-N 1 1 180.255 0.754 10 0 ACAEMO C[C@@]1(c2nc(C3CC3)n[nH]2)CC[NH2+]C1 62920688 343385319 /nfs/dbraw/zinc/38/53/19/343385319.db2.gz IXHGCXOOGZAUJD-SNVBAGLBSA-N 1 1 192.266 0.933 10 0 ACAEMO Cc1n[nH]c([C@@]2(C)CC[NH2+]C2)n1 62920511 343385365 /nfs/dbraw/zinc/38/53/65/343385365.db2.gz WWMKHBNYXZCETQ-QMMMGPOBSA-N 1 1 166.228 0.364 10 0 ACAEMO CC[C@]1(c2nc(C)n[nH]2)CC[NH2+]C1 62920517 343385378 /nfs/dbraw/zinc/38/53/78/343385378.db2.gz QEELJFIOEYLRGZ-VIFPVBQESA-N 1 1 180.255 0.754 10 0 ACAEMO CC[C@]1(c2n[nH]c(C)n2)CC[NH2+]C1 62920517 343385380 /nfs/dbraw/zinc/38/53/80/343385380.db2.gz QEELJFIOEYLRGZ-VIFPVBQESA-N 1 1 180.255 0.754 10 0 ACAEMO OCCN1CCC[N@H+]2CCC[C@@H]2C1 62941346 343386438 /nfs/dbraw/zinc/38/64/38/343386438.db2.gz MSLWHVIHICFATL-SNVBAGLBSA-N 1 1 184.283 0.149 10 0 ACAEMO C[C@@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 62941357 343386444 /nfs/dbraw/zinc/38/64/44/343386444.db2.gz OGSZBWADARWDBB-GHMZBOCLSA-N 1 1 198.310 0.537 10 0 ACAEMO C[C@@H](O)C[N@@H+]1CCCN2CCC[C@@H]2C1 62941357 343386445 /nfs/dbraw/zinc/38/64/45/343386445.db2.gz OGSZBWADARWDBB-GHMZBOCLSA-N 1 1 198.310 0.537 10 0 ACAEMO C[C@@H](O)C[N@H+]1CCCN2CCC[C@@H]2C1 62941357 343386446 /nfs/dbraw/zinc/38/64/46/343386446.db2.gz OGSZBWADARWDBB-GHMZBOCLSA-N 1 1 198.310 0.537 10 0 ACAEMO NC(=S)N1CCC[N@H+]2CCC[C@@H]2C1 62941466 343386472 /nfs/dbraw/zinc/38/64/72/343386472.db2.gz YTPCLKDSVWJKGD-MRVPVSSYSA-N 1 1 199.323 0.400 10 0 ACAEMO OCCN1CCC[N@H+]2CCC[C@H]2C1 62941347 343386487 /nfs/dbraw/zinc/38/64/87/343386487.db2.gz MSLWHVIHICFATL-JTQLQIEISA-N 1 1 184.283 0.149 10 0 ACAEMO C[C@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 62941356 343386649 /nfs/dbraw/zinc/38/66/49/343386649.db2.gz OGSZBWADARWDBB-WDEREUQCSA-N 1 1 198.310 0.537 10 0 ACAEMO C[C@H](O)C[N@@H+]1CCCN2CCC[C@@H]2C1 62941356 343386652 /nfs/dbraw/zinc/38/66/52/343386652.db2.gz OGSZBWADARWDBB-WDEREUQCSA-N 1 1 198.310 0.537 10 0 ACAEMO C[C@H](O)C[N@H+]1CCCN2CCC[C@@H]2C1 62941356 343386654 /nfs/dbraw/zinc/38/66/54/343386654.db2.gz OGSZBWADARWDBB-WDEREUQCSA-N 1 1 198.310 0.537 10 0 ACAEMO NC(=S)N1CCC[N@H+]2CCC[C@H]2C1 62941467 343386749 /nfs/dbraw/zinc/38/67/49/343386749.db2.gz YTPCLKDSVWJKGD-QMMMGPOBSA-N 1 1 199.323 0.400 10 0 ACAEMO CN(C)[C@@H]1CC[N@@H+](CC(C)(C)O)C1 62967319 343389199 /nfs/dbraw/zinc/38/91/99/343389199.db2.gz CEUBYXNCKZMATM-SECBINFHSA-N 1 1 186.299 0.393 10 0 ACAEMO C[NH+](C)[C@@H]1CCN(CC(C)(C)O)C1 62967319 343389202 /nfs/dbraw/zinc/38/92/02/343389202.db2.gz CEUBYXNCKZMATM-SECBINFHSA-N 1 1 186.299 0.393 10 0 ACAEMO CN(C)[C@@H]1CCN(C(=[NH2+])NC2CC2)C1 62985190 343389228 /nfs/dbraw/zinc/38/92/28/343389228.db2.gz FFBSRJHLDZITCJ-SECBINFHSA-N 1 1 196.298 0.309 10 0 ACAEMO CN(C)[C@@H]1CC[N@@H+]([C@@H]2CCCC2=O)C1 62966784 343389243 /nfs/dbraw/zinc/38/92/43/343389243.db2.gz LKVIWQMEKYRCBS-NXEZZACHSA-N 1 1 196.294 0.744 10 0 ACAEMO CN(C)[C@@H]1CC[N@H+]([C@@H]2CCCC2=O)C1 62966784 343389245 /nfs/dbraw/zinc/38/92/45/343389245.db2.gz LKVIWQMEKYRCBS-NXEZZACHSA-N 1 1 196.294 0.744 10 0 ACAEMO CCNC(=[NH2+])N1CC[C@@H](N(C)C)C1 62985185 343389319 /nfs/dbraw/zinc/38/93/19/343389319.db2.gz RECDJJZGVCQLKK-MRVPVSSYSA-N 1 1 184.287 0.167 10 0 ACAEMO CN(C)[C@H]1CCN(C(=[NH2+])NC2CC2)C1 62985191 343389344 /nfs/dbraw/zinc/38/93/44/343389344.db2.gz FFBSRJHLDZITCJ-VIFPVBQESA-N 1 1 196.298 0.309 10 0 ACAEMO CN(C)[C@H]1CC[N@@H+](CC(C)(C)O)C1 62967318 343389371 /nfs/dbraw/zinc/38/93/71/343389371.db2.gz CEUBYXNCKZMATM-VIFPVBQESA-N 1 1 186.299 0.393 10 0 ACAEMO C[NH+](C)[C@H]1CCN(CC(C)(C)O)C1 62967318 343389375 /nfs/dbraw/zinc/38/93/75/343389375.db2.gz CEUBYXNCKZMATM-VIFPVBQESA-N 1 1 186.299 0.393 10 0 ACAEMO CN(C)[C@H]1CC[N@@H+]([C@@H]2CCCC2=O)C1 62966785 343389478 /nfs/dbraw/zinc/38/94/78/343389478.db2.gz LKVIWQMEKYRCBS-VHSXEESVSA-N 1 1 196.294 0.744 10 0 ACAEMO CN(C)[C@H]1CC[N@H+]([C@@H]2CCCC2=O)C1 62966785 343389481 /nfs/dbraw/zinc/38/94/81/343389481.db2.gz LKVIWQMEKYRCBS-VHSXEESVSA-N 1 1 196.294 0.744 10 0 ACAEMO CCNC(=[NH2+])N1CC[C@H](N(C)C)C1 62985184 343389519 /nfs/dbraw/zinc/38/95/19/343389519.db2.gz RECDJJZGVCQLKK-QMMMGPOBSA-N 1 1 184.287 0.167 10 0 ACAEMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C)C1 62967309 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344287842 /nfs/dbraw/zinc/28/78/42/344287842.db2.gz ACYOTVINPYRHAX-VIFPVBQESA-N 1 1 186.299 0.299 10 0 ACAEMO CC(C)(C)[C@@H]1CNCC[N@H+]1CCO 166716267 344287843 /nfs/dbraw/zinc/28/78/43/344287843.db2.gz ACYOTVINPYRHAX-VIFPVBQESA-N 1 1 186.299 0.299 10 0 ACAEMO Cn1cc[nH+]c1Cc1ccncc1N 166769639 344288773 /nfs/dbraw/zinc/28/87/73/344288773.db2.gz HLWJAWSCHIYHJG-UHFFFAOYSA-N 1 1 188.234 0.988 10 0 ACAEMO C[C@H]1C[C@@H](C)C[N@H+](CC(N)=O)[C@H]1C 166830422 344290254 /nfs/dbraw/zinc/29/02/54/344290254.db2.gz IPIDWMZYGUFMHQ-VGMNWLOBSA-N 1 1 184.283 0.838 10 0 ACAEMO C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CC(N)=O 166830641 344290326 /nfs/dbraw/zinc/29/03/26/344290326.db2.gz IPIDWMZYGUFMHQ-HLTSFMKQSA-N 1 1 184.283 0.838 10 0 ACAEMO CC(C)[N@H+]1CC[C@H](C(N)=O)C1 166960322 344293502 /nfs/dbraw/zinc/29/35/02/344293502.db2.gz RUPCTGHRHJRALP-ZETCQYMHSA-N 1 1 156.229 0.202 10 0 ACAEMO CC(C)[N@H+]1CC[C@@H](C(N)=O)C1 166960432 344293723 /nfs/dbraw/zinc/29/37/23/344293723.db2.gz RUPCTGHRHJRALP-SSDOTTSWSA-N 1 1 156.229 0.202 10 0 ACAEMO CN1C[C@@H]2[C@H](CC[N@H+]2C)C1 167099567 344297238 /nfs/dbraw/zinc/29/72/38/344297238.db2.gz MFARBWYPQHXEEK-HTQZYQBOSA-N 1 1 140.230 0.252 10 0 ACAEMO CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 167099567 344297244 /nfs/dbraw/zinc/29/72/44/344297244.db2.gz MFARBWYPQHXEEK-HTQZYQBOSA-N 1 1 140.230 0.252 10 0 ACAEMO CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 167099445 344297478 /nfs/dbraw/zinc/29/74/78/344297478.db2.gz MFARBWYPQHXEEK-JGVFFNPUSA-N 1 1 140.230 0.252 10 0 ACAEMO CN1CC[C@H]2C[N@H+](C)C[C@H]21 167099445 344297480 /nfs/dbraw/zinc/29/74/80/344297480.db2.gz MFARBWYPQHXEEK-JGVFFNPUSA-N 1 1 140.230 0.252 10 0 ACAEMO CN1CC[C@H]2C[N@@H+](C)C[C@H]21 167099445 344297483 /nfs/dbraw/zinc/29/74/83/344297483.db2.gz MFARBWYPQHXEEK-JGVFFNPUSA-N 1 1 140.230 0.252 10 0 ACAEMO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])CN 167136845 344298164 /nfs/dbraw/zinc/29/81/64/344298164.db2.gz MKRAFYBYPRKVMB-NQMVMOMDSA-N 1 1 184.283 0.478 10 0 ACAEMO CC1(C)[C@@H]2OCC[C@H]2[C@]1([NH3+])CN 167137267 344298189 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ACAEMO C[C@H]1C[C@H]1CNc1cc(N)[nH+]c(N)n1 167373031 344303792 /nfs/dbraw/zinc/30/37/92/344303792.db2.gz QVPTYTMPVNSWSW-WDSKDSINSA-N 1 1 193.254 0.709 10 0 ACAEMO C[C@@H]1C[C@@H]1CNc1cc(N)[nH+]c(N)n1 167372731 344303948 /nfs/dbraw/zinc/30/39/48/344303948.db2.gz QVPTYTMPVNSWSW-PHDIDXHHSA-N 1 1 193.254 0.709 10 0 ACAEMO C[C@H]1C[C@@H]1CNc1cc(N)[nH+]c(N)n1 167372847 344303971 /nfs/dbraw/zinc/30/39/71/344303971.db2.gz QVPTYTMPVNSWSW-NTSWFWBYSA-N 1 1 193.254 0.709 10 0 ACAEMO C[C@@H]1C[C@H]1CNc1cc(N)[nH+]c(N)n1 167372951 344303979 /nfs/dbraw/zinc/30/39/79/344303979.db2.gz QVPTYTMPVNSWSW-RITPCOANSA-N 1 1 193.254 0.709 10 0 ACAEMO [NH3+]Cc1ncn(Cc2nccs2)n1 167470795 344305908 /nfs/dbraw/zinc/30/59/08/344305908.db2.gz ILTUDRHKXCMGGT-UHFFFAOYSA-N 1 1 195.251 0.242 10 0 ACAEMO [NH3+]Cc1ncn(Cc2cccs2)n1 167465391 344305975 /nfs/dbraw/zinc/30/59/75/344305975.db2.gz TVKMHCCDKPUCJQ-UHFFFAOYSA-N 1 1 194.263 0.847 10 0 ACAEMO C[NH2+]Cc1ncn(C(C)C)n1 167485477 344306506 /nfs/dbraw/zinc/30/65/06/344306506.db2.gz QZCXDUUKCCFKFO-UHFFFAOYSA-N 1 1 154.217 0.578 10 0 ACAEMO CCn1cnc(C[NH2+]C)n1 167474801 344306527 /nfs/dbraw/zinc/30/65/27/344306527.db2.gz BBCMTGLGXVABNM-UHFFFAOYSA-N 1 1 140.190 0.017 10 0 ACAEMO C[NH2+]Cc1ncn(C2CCOCC2)n1 167493243 344307044 /nfs/dbraw/zinc/30/70/44/344307044.db2.gz FTSFPHGMFNTVKU-UHFFFAOYSA-N 1 1 196.254 0.349 10 0 ACAEMO C[C@@H](N)C[NH2+]C[C@H]1C[C@H]1C 167556954 344308260 /nfs/dbraw/zinc/30/82/60/344308260.db2.gz QLBSMPWSJRHAQF-BWZBUEFSSA-N 1 1 142.246 0.579 10 0 ACAEMO C[C@H]1C[C@H]1C[NH2+]C[C@@H](C)N 167557298 344308266 /nfs/dbraw/zinc/30/82/66/344308266.db2.gz QLBSMPWSJRHAQF-RNJXMRFFSA-N 1 1 142.246 0.579 10 0 ACAEMO C[C@@H](N)C[NH2+]C[C@@H]1C[C@H]1C 167557167 344308313 /nfs/dbraw/zinc/30/83/13/344308313.db2.gz QLBSMPWSJRHAQF-PRJMDXOYSA-N 1 1 142.246 0.579 10 0 ACAEMO C[C@H]1C[C@@H]1C[NH2+]C[C@@H](C)N 167557057 344308360 /nfs/dbraw/zinc/30/83/60/344308360.db2.gz QLBSMPWSJRHAQF-XLPZGREQSA-N 1 1 142.246 0.579 10 0 ACAEMO CN(C)C[C@H]([NH3+])C1=CCCCO1 167609500 344309238 /nfs/dbraw/zinc/30/92/38/344309238.db2.gz JYPXFXDMLRNBDM-QMMMGPOBSA-N 1 1 170.256 0.570 10 0 ACAEMO CO[C@@H](C)C[N@@H+]1CCNC(C)(C)C1 167615083 344309297 /nfs/dbraw/zinc/30/92/97/344309297.db2.gz ODJWNMISNHWUPK-VIFPVBQESA-N 1 1 186.299 0.705 10 0 ACAEMO CO[C@@H](C)C[N@H+]1CCNC(C)(C)C1 167615083 344309298 /nfs/dbraw/zinc/30/92/98/344309298.db2.gz ODJWNMISNHWUPK-VIFPVBQESA-N 1 1 186.299 0.705 10 0 ACAEMO CN(C)C[C@@H]([NH3+])C1=CCCCO1 167609600 344309360 /nfs/dbraw/zinc/30/93/60/344309360.db2.gz JYPXFXDMLRNBDM-MRVPVSSYSA-N 1 1 170.256 0.570 10 0 ACAEMO CO[C@H](C)C[N@@H+]1CCNC(C)(C)C1 167615201 344309738 /nfs/dbraw/zinc/30/97/38/344309738.db2.gz ODJWNMISNHWUPK-SECBINFHSA-N 1 1 186.299 0.705 10 0 ACAEMO CO[C@H](C)C[N@H+]1CCNC(C)(C)C1 167615201 344309740 /nfs/dbraw/zinc/30/97/40/344309740.db2.gz ODJWNMISNHWUPK-SECBINFHSA-N 1 1 186.299 0.705 10 0 ACAEMO CO[C@H](C)CN1CC[NH2+]CC[C@@H]1C 167636709 344310093 /nfs/dbraw/zinc/31/00/93/344310093.db2.gz XOUSDIQSFKMBIT-VHSXEESVSA-N 1 1 186.299 0.705 10 0 ACAEMO CO[C@H](C)CN1CCC[NH2+][C@@H](C)C1 167633291 344310112 /nfs/dbraw/zinc/31/01/12/344310112.db2.gz WPYVRNYZZIUEIX-VHSXEESVSA-N 1 1 186.299 0.705 10 0 ACAEMO CO[C@H](C)CN1CCC[NH2+][C@H](C)C1 167633221 344310135 /nfs/dbraw/zinc/31/01/35/344310135.db2.gz WPYVRNYZZIUEIX-NXEZZACHSA-N 1 1 186.299 0.705 10 0 ACAEMO FC1(C2=CCCCO2)C[NH2+]C1 167677463 344310999 /nfs/dbraw/zinc/31/09/99/344310999.db2.gz MRZPSNAINWAPOC-UHFFFAOYSA-N 1 1 157.188 0.992 10 0 ACAEMO CC(C)(C)[N@H+]1CCC[C@@H](C(N)=O)C1 167694074 344311570 /nfs/dbraw/zinc/31/15/70/344311570.db2.gz HNUPUXMLSOSSDY-MRVPVSSYSA-N 1 1 184.283 0.982 10 0 ACAEMO [NH3+][C@@H](C(F)F)[C@H]1CCCO1 167719338 344312347 /nfs/dbraw/zinc/31/23/47/344312347.db2.gz JWQPOSZLHMATBG-RFZPGFLSSA-N 1 1 151.156 0.758 10 0 ACAEMO [NH3+][C@H](C(F)F)[C@@H]1CCCO1 167719222 344312371 /nfs/dbraw/zinc/31/23/71/344312371.db2.gz JWQPOSZLHMATBG-WHFBIAKZSA-N 1 1 151.156 0.758 10 0 ACAEMO [NH3+][C@H](C(F)F)[C@H]1CCCO1 167719115 344312529 /nfs/dbraw/zinc/31/25/29/344312529.db2.gz JWQPOSZLHMATBG-UHNVWZDZSA-N 1 1 151.156 0.758 10 0 ACAEMO [NH3+][C@@H](C(F)F)[C@@H]1CCCO1 167719447 344313095 /nfs/dbraw/zinc/31/30/95/344313095.db2.gz JWQPOSZLHMATBG-CRCLSJGQSA-N 1 1 151.156 0.758 10 0 ACAEMO CCn1nccc1C(=O)C[NH3+] 167746588 344313278 /nfs/dbraw/zinc/31/32/78/344313278.db2.gz DTZUUADDXUNTOO-UHFFFAOYSA-N 1 1 153.185 0.044 10 0 ACAEMO CC[C@@H]1CC[NH2+][C@H](CNC)C1 167740101 344313388 /nfs/dbraw/zinc/31/33/88/344313388.db2.gz SOBCDPMKNCBGFR-BDAKNGLRSA-N 1 1 156.273 0.984 10 0 ACAEMO CC[C@@H]1CC[NH2+][C@@H](CNC)C1 167740299 344313405 /nfs/dbraw/zinc/31/34/05/344313405.db2.gz SOBCDPMKNCBGFR-RKDXNWHRSA-N 1 1 156.273 0.984 10 0 ACAEMO CC[C@H]1CC[NH2+][C@H](CNC)C1 167740194 344313534 /nfs/dbraw/zinc/31/35/34/344313534.db2.gz SOBCDPMKNCBGFR-IUCAKERBSA-N 1 1 156.273 0.984 10 0 ACAEMO Cc1ccnc(N)c1C(=O)C[NH3+] 167746691 344313583 /nfs/dbraw/zinc/31/35/83/344313583.db2.gz DTBNFMWUBSFCCG-UHFFFAOYSA-N 1 1 165.196 0.114 10 0 ACAEMO CC[C@H]1CC[NH2+][C@@H](CNC)C1 167740399 344313611 /nfs/dbraw/zinc/31/36/11/344313611.db2.gz SOBCDPMKNCBGFR-DTWKUNHWSA-N 1 1 156.273 0.984 10 0 ACAEMO Cc1nc(CC[NH+](C)C)[nH]c(=O)c1F 167758750 344313902 /nfs/dbraw/zinc/31/39/02/344313902.db2.gz AVICDWVZYDMYEC-UHFFFAOYSA-N 1 1 199.229 0.322 10 0 ACAEMO [NH3+]CC(=O)c1cncc(F)c1 167760555 344313928 /nfs/dbraw/zinc/31/39/28/344313928.db2.gz PHSIOSCAAVYKIQ-UHFFFAOYSA-N 1 1 154.144 0.362 10 0 ACAEMO [NH3+]CC(=O)c1ccncc1F 167753431 344313974 /nfs/dbraw/zinc/31/39/74/344313974.db2.gz ILZJVLTUSHDQAY-UHFFFAOYSA-N 1 1 154.144 0.362 10 0 ACAEMO Cc1cnc(N)c(C(=O)C[NH3+])c1 167760800 344314016 /nfs/dbraw/zinc/31/40/16/344314016.db2.gz SURHVERLEPXIQK-UHFFFAOYSA-N 1 1 165.196 0.114 10 0 ACAEMO Nc1ncc(Cl)cc1C(=O)C[NH3+] 167754325 344314044 /nfs/dbraw/zinc/31/40/44/344314044.db2.gz YPZIOQVSUZLHJB-UHFFFAOYSA-N 1 1 185.614 0.459 10 0 ACAEMO O[C@@]1(C2=CCCO2)CC[N@H+](C2CC2)C1 168002465 344318449 /nfs/dbraw/zinc/31/84/49/344318449.db2.gz QKBPPQCUBCCMGQ-NSHDSACASA-N 1 1 195.262 0.890 10 0 ACAEMO C[N@H+]1CC[C@@](O)(C2=CCCO2)C1 168002352 344318459 /nfs/dbraw/zinc/31/84/59/344318459.db2.gz MNTNDOYJZCJGSY-VIFPVBQESA-N 1 1 169.224 0.357 10 0 ACAEMO O[C@]1(C2=CCCO2)CC[N@H+](C2CC2)C1 168002564 344318543 /nfs/dbraw/zinc/31/85/43/344318543.db2.gz QKBPPQCUBCCMGQ-LLVKDONJSA-N 1 1 195.262 0.890 10 0 ACAEMO CC(C)[C@H]([NH3+])Cc1ccn[nH]1 167997855 344318633 /nfs/dbraw/zinc/31/86/33/344318633.db2.gz BQPOWNWJLPESCR-MRVPVSSYSA-N 1 1 153.229 0.936 10 0 ACAEMO C[N@H+]1CC[C@](O)(C2=CCCO2)C1 168002241 344318641 /nfs/dbraw/zinc/31/86/41/344318641.db2.gz MNTNDOYJZCJGSY-SECBINFHSA-N 1 1 169.224 0.357 10 0 ACAEMO CC(C)[C@@](C)(O)C[N@H+]1CC[C@H](O)C1 168028766 344319403 /nfs/dbraw/zinc/31/94/03/344319403.db2.gz BHFJQHZITULVHO-UWVGGRQHSA-N 1 1 187.283 0.460 10 0 ACAEMO CC(C)[C@@](C)(O)C[N@H+]1CC[C@@H](O)C1 168029086 344319462 /nfs/dbraw/zinc/31/94/62/344319462.db2.gz BHFJQHZITULVHO-ZJUUUORDSA-N 1 1 187.283 0.460 10 0 ACAEMO CC(C)[C@](C)(O)C[N@H+]1CC[C@@H](O)C1 168028986 344319478 /nfs/dbraw/zinc/31/94/78/344319478.db2.gz BHFJQHZITULVHO-NXEZZACHSA-N 1 1 187.283 0.460 10 0 ACAEMO CC1(O)CC[NH+](C(C)(C)CN)CC1 168041706 344319555 /nfs/dbraw/zinc/31/95/55/344319555.db2.gz PMQPISYPPMVSDR-UHFFFAOYSA-N 1 1 186.299 0.571 10 0 in-vitro ACAEMO CC(C)[C@](C)(O)C[N@H+]1CC[C@H](O)C1 168028670 344319649 /nfs/dbraw/zinc/31/96/49/344319649.db2.gz BHFJQHZITULVHO-VHSXEESVSA-N 1 1 187.283 0.460 10 0 ACAEMO Cc1n[nH]c(C2(C[NH3+])CCCC2)n1 168127063 344321354 /nfs/dbraw/zinc/32/13/54/344321354.db2.gz UNHVEOCBCFHPRC-UHFFFAOYSA-N 1 1 180.255 0.884 10 0 ACAEMO Cc1nc(C2(C[NH3+])CCCC2)n[nH]1 168127063 344321356 /nfs/dbraw/zinc/32/13/56/344321356.db2.gz UNHVEOCBCFHPRC-UHFFFAOYSA-N 1 1 180.255 0.884 10 0 ACAEMO [NH3+][C@H](C1=CCCO1)c1cnccn1 168130541 344321648 /nfs/dbraw/zinc/32/16/48/344321648.db2.gz VCFQOCVFDNTWFC-VIFPVBQESA-N 1 1 177.207 0.781 10 0 ACAEMO [NH3+][C@@H](C1=CCCO1)c1cnccn1 168130631 344321756 /nfs/dbraw/zinc/32/17/56/344321756.db2.gz VCFQOCVFDNTWFC-SECBINFHSA-N 1 1 177.207 0.781 10 0 ACAEMO [NH3+][C@H](C1=CCCO1)c1ccncn1 168175822 344323001 /nfs/dbraw/zinc/32/30/01/344323001.db2.gz MBUZKSJIFPIGQW-VIFPVBQESA-N 1 1 177.207 0.781 10 0 ACAEMO [NH3+][C@@H](C1=CCCO1)c1ccncn1 168175932 344323028 /nfs/dbraw/zinc/32/30/28/344323028.db2.gz MBUZKSJIFPIGQW-SECBINFHSA-N 1 1 177.207 0.781 10 0 ACAEMO C[N@@H+]1CCC[C@H](NC#N)C1 168171239 344323134 /nfs/dbraw/zinc/32/31/34/344323134.db2.gz DJZSEYLYUYPYDZ-ZETCQYMHSA-N 1 1 139.202 0.151 10 0 ACAEMO C[N@H+]1CCC[C@H](NC#N)C1 168171239 344323136 /nfs/dbraw/zinc/32/31/36/344323136.db2.gz DJZSEYLYUYPYDZ-ZETCQYMHSA-N 1 1 139.202 0.151 10 0 ACAEMO C[N@@H+]1CCC[C@@H](NC#N)C1 168171352 344323341 /nfs/dbraw/zinc/32/33/41/344323341.db2.gz DJZSEYLYUYPYDZ-SSDOTTSWSA-N 1 1 139.202 0.151 10 0 ACAEMO C[N@H+]1CCC[C@@H](NC#N)C1 168171352 344323342 /nfs/dbraw/zinc/32/33/42/344323342.db2.gz DJZSEYLYUYPYDZ-SSDOTTSWSA-N 1 1 139.202 0.151 10 0 ACAEMO CC[N@H+]1CCC[C@H](NC#N)C1 168179401 344323523 /nfs/dbraw/zinc/32/35/23/344323523.db2.gz LZKKUWJDHCMNIP-QMMMGPOBSA-N 1 1 153.229 0.541 10 0 ACAEMO CC[N@H+]1CCC[C@@H](NC#N)C1 168179504 344323689 /nfs/dbraw/zinc/32/36/89/344323689.db2.gz LZKKUWJDHCMNIP-MRVPVSSYSA-N 1 1 153.229 0.541 10 0 ACAEMO Cn1ccc([C@@H]([NH3+])C2=CCCO2)n1 168193496 344323935 /nfs/dbraw/zinc/32/39/35/344323935.db2.gz WFJILKQYKKDJDW-SECBINFHSA-N 1 1 179.223 0.724 10 0 ACAEMO CC1(C)[C@@H](O)C[C@@H]1NC1CC([NH3+])C1 168193913 344324043 /nfs/dbraw/zinc/32/40/43/344324043.db2.gz BVESLWFLWVEUIL-PEBLOWIWSA-N 1 1 184.283 0.225 10 0 ACAEMO Cn1ccc([C@H]([NH3+])C2=CCCO2)n1 168193407 344324069 /nfs/dbraw/zinc/32/40/69/344324069.db2.gz WFJILKQYKKDJDW-VIFPVBQESA-N 1 1 179.223 0.724 10 0 ACAEMO CC1(C)[C@@H](O)C[C@H]1NC1CC([NH3+])C1 168193827 344324107 /nfs/dbraw/zinc/32/41/07/344324107.db2.gz BVESLWFLWVEUIL-YNTFGVKOSA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@@H](NC2CC([NH3+])C2)C[C@H]1O 168194079 344324133 /nfs/dbraw/zinc/32/41/33/344324133.db2.gz BVESLWFLWVEUIL-ABIFROTESA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@H](O)C[C@H]1NC1CC([NH3+])C1 168193991 344324150 /nfs/dbraw/zinc/32/41/50/344324150.db2.gz BVESLWFLWVEUIL-GEPGNKONSA-N 1 1 184.283 0.225 10 0 ACAEMO N#CN1CCC[N@H+]2CCC[C@H]2C1 168201762 344324401 /nfs/dbraw/zinc/32/44/01/344324401.db2.gz BQKMTABOWKLVCO-VIFPVBQESA-N 1 1 165.240 0.638 10 0 ACAEMO CC[N@H+]1CCN(C#N)C[C@H]1C 168205854 344324994 /nfs/dbraw/zinc/32/49/94/344324994.db2.gz QNAHVPUKOLOWML-MRVPVSSYSA-N 1 1 153.229 0.493 10 0 ACAEMO CC[N@H+]1CCN(C#N)C[C@@H]1C 168205742 344325094 /nfs/dbraw/zinc/32/50/94/344325094.db2.gz QNAHVPUKOLOWML-QMMMGPOBSA-N 1 1 153.229 0.493 10 0 ACAEMO C[N@H+]1CCN(C#N)CC1(C)C 168206194 344325155 /nfs/dbraw/zinc/32/51/55/344325155.db2.gz UYADNKXBZVEMNY-UHFFFAOYSA-N 1 1 153.229 0.493 10 0 ACAEMO CN(C#N)C[C@@H]1CCC[N@H+]1C 168218454 344325239 /nfs/dbraw/zinc/32/52/39/344325239.db2.gz YMSVWXTYTVUGTF-QMMMGPOBSA-N 1 1 153.229 0.493 10 0 ACAEMO C[N@H+]1CCC[C@H]2CN(C#N)CC[C@@H]21 168223778 344325245 /nfs/dbraw/zinc/32/52/45/344325245.db2.gz ZIQGAYJXPBBXHE-UWVGGRQHSA-N 1 1 179.267 0.884 10 0 ACAEMO CN(C)C[C@@H]([NH3+])C1=CCCO1 168220431 344325256 /nfs/dbraw/zinc/32/52/56/344325256.db2.gz XLLFGZCBNCEGHO-SSDOTTSWSA-N 1 1 156.229 0.180 10 0 ACAEMO C[N@H+]1CCC[C@@H]2CN(C#N)CC[C@@H]21 168223868 344325269 /nfs/dbraw/zinc/32/52/69/344325269.db2.gz ZIQGAYJXPBBXHE-ZJUUUORDSA-N 1 1 179.267 0.884 10 0 ACAEMO CN(C#N)C[C@H]1CCC[N@H+]1C 168218354 344325305 /nfs/dbraw/zinc/32/53/05/344325305.db2.gz YMSVWXTYTVUGTF-MRVPVSSYSA-N 1 1 153.229 0.493 10 0 ACAEMO CN(C)C[C@H]([NH3+])C1=CCCO1 168220329 344325420 /nfs/dbraw/zinc/32/54/20/344325420.db2.gz XLLFGZCBNCEGHO-ZETCQYMHSA-N 1 1 156.229 0.180 10 0 ACAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C#N 168220659 344325539 /nfs/dbraw/zinc/32/55/39/344325539.db2.gz XNXUTHLKIKQNKP-RKDXNWHRSA-N 1 1 165.240 0.636 10 0 ACAEMO N#CN1CC[N@@H+]2CCCC[C@@H]2C1 168220326 344325584 /nfs/dbraw/zinc/32/55/84/344325584.db2.gz 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345017467 /nfs/dbraw/zinc/01/74/67/345017467.db2.gz ZAXDKURGBVGZKY-WDEREUQCSA-N 1 1 198.310 0.585 10 0 ACAEMO O[C@@H]1[C@@H]2C[C@@H]3[C@@H]1[N@H+](C[C@H]1CO1)C[C@@H]3C2 300949200 345017635 /nfs/dbraw/zinc/01/76/35/345017635.db2.gz OTWJPMKRBAWRAA-LSGFFFPISA-N 1 1 195.262 0.086 10 0 ACAEMO C[C@@H]1COCC[C@@H]1c1nnc(C[NH3+])o1 300950597 345017650 /nfs/dbraw/zinc/01/76/50/345017650.db2.gz FKZRXZGATDGXOI-RQJHMYQMSA-N 1 1 197.238 0.668 10 0 ACAEMO CC(C)[C@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 300950945 345017660 /nfs/dbraw/zinc/01/76/60/345017660.db2.gz ZNQJSTKWQPDMNJ-GXSJLCMTSA-N 1 1 199.294 0.914 10 0 ACAEMO CC(C)[C@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 300950947 345017686 /nfs/dbraw/zinc/01/76/86/345017686.db2.gz ZNQJSTKWQPDMNJ-MWLCHTKSSA-N 1 1 199.294 0.914 10 0 ACAEMO O[C@@H]1[C@H]2C[C@@H]3C[N@@H+](C[C@H]4CO4)[C@@H]1[C@H]3C2 300949215 345017744 /nfs/dbraw/zinc/01/77/44/345017744.db2.gz OTWJPMKRBAWRAA-WYVINJBVSA-N 1 1 195.262 0.086 10 0 ACAEMO CC(C)[C@@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 300950948 345017763 /nfs/dbraw/zinc/01/77/63/345017763.db2.gz ZNQJSTKWQPDMNJ-ONGXEEELSA-N 1 1 199.294 0.914 10 0 ACAEMO C[C@@H]1COCC[C@H]1c1nnc(C[NH3+])o1 300950593 345017844 /nfs/dbraw/zinc/01/78/44/345017844.db2.gz FKZRXZGATDGXOI-RNFRBKRXSA-N 1 1 197.238 0.668 10 0 ACAEMO C[C@H]1COCC[C@H]1c1nnc(C[NH3+])o1 300950589 345017878 /nfs/dbraw/zinc/01/78/78/345017878.db2.gz FKZRXZGATDGXOI-NKWVEPMBSA-N 1 1 197.238 0.668 10 0 ACAEMO C[C@H]1COCC[C@@H]1c1nnc(C[NH3+])o1 300950585 345017908 /nfs/dbraw/zinc/01/79/08/345017908.db2.gz FKZRXZGATDGXOI-BQBZGAKWSA-N 1 1 197.238 0.668 10 0 ACAEMO CC(C)[C@@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 300950946 345017922 /nfs/dbraw/zinc/01/79/22/345017922.db2.gz ZNQJSTKWQPDMNJ-KOLCDFICSA-N 1 1 199.294 0.914 10 0 ACAEMO Cc1c[nH+]c(N2CCOCC2)nc1N 300970704 345019928 /nfs/dbraw/zinc/01/99/28/345019928.db2.gz RVXUREGXDDLVET-UHFFFAOYSA-N 1 1 194.238 0.204 10 0 ACAEMO NC1=NC(=O)O[C@]12CC[N@H+]1CCC[C@H]12 300984763 345021986 /nfs/dbraw/zinc/02/19/86/345021986.db2.gz IQOSCJMPNQPZIP-RCOVLWMOSA-N 1 1 195.222 0.101 10 0 ACAEMO NC1=NC(=O)O[C@]12CC[N@H+]1CCC[C@@H]12 300984761 345022023 /nfs/dbraw/zinc/02/20/23/345022023.db2.gz IQOSCJMPNQPZIP-MUWHJKNJSA-N 1 1 195.222 0.101 10 0 ACAEMO NC[C@@]1([NH3+])CCCC12CCOCC2 300987439 345022092 /nfs/dbraw/zinc/02/20/92/345022092.db2.gz VIGXNHZJOPYGAG-JTQLQIEISA-N 1 1 184.283 0.623 10 0 ACAEMO NC1=NC(=O)O[C@@]12CC[N@H+]1CCC[C@H]12 300984758 345022108 /nfs/dbraw/zinc/02/21/08/345022108.db2.gz IQOSCJMPNQPZIP-IMTBSYHQSA-N 1 1 195.222 0.101 10 0 ACAEMO NC1=NC(=O)O[C@@]12CC[N@H+]1CCC[C@@H]12 300984756 345022116 /nfs/dbraw/zinc/02/21/16/345022116.db2.gz IQOSCJMPNQPZIP-HZGVNTEJSA-N 1 1 195.222 0.101 10 0 ACAEMO NC[C@]1([NH3+])CCCC12CCOCC2 300987442 345022274 /nfs/dbraw/zinc/02/22/74/345022274.db2.gz VIGXNHZJOPYGAG-SNVBAGLBSA-N 1 1 184.283 0.623 10 0 ACAEMO C[C@@H]1COCC[C@H]1[N@@H+]1C[C@@H](C)[C@@H](N)C1 301007266 345024483 /nfs/dbraw/zinc/02/44/83/345024483.db2.gz LMAZAXGZRBODRO-CHWFTXMASA-N 1 1 198.310 0.690 10 0 ACAEMO C[C@@H]1COCC[C@H]1[N@H+]1C[C@@H](C)[C@@H](N)C1 301007266 345024485 /nfs/dbraw/zinc/02/44/85/345024485.db2.gz LMAZAXGZRBODRO-CHWFTXMASA-N 1 1 198.310 0.690 10 0 ACAEMO Cc1c[nH+]c(N(C)C)nc1N 301005289 345024718 /nfs/dbraw/zinc/02/47/18/345024718.db2.gz YRJIWJYEKKJEDM-UHFFFAOYSA-N 1 1 152.201 0.433 10 0 ACAEMO C[C@@H]1C[N@@H+]([C@@H]2CCOC[C@@H]2C)C[C@@H]1N 301007276 345025073 /nfs/dbraw/zinc/02/50/73/345025073.db2.gz LMAZAXGZRBODRO-VPOLOUISSA-N 1 1 198.310 0.690 10 0 ACAEMO C[C@@H]1C[N@H+]([C@@H]2CCOC[C@@H]2C)C[C@@H]1N 301007276 345025074 /nfs/dbraw/zinc/02/50/74/345025074.db2.gz LMAZAXGZRBODRO-VPOLOUISSA-N 1 1 198.310 0.690 10 0 ACAEMO C[C@@H]1COCC[C@H]1[N@@H+]1C[C@@H](N)[C@H](C)C1 301007270 345025133 /nfs/dbraw/zinc/02/51/33/345025133.db2.gz LMAZAXGZRBODRO-GWOFURMSSA-N 1 1 198.310 0.690 10 0 ACAEMO C[C@@H]1C[N@@H+]([C@@H]2CCOC[C@@H]2C)C[C@H]1N 301007273 345025154 /nfs/dbraw/zinc/02/51/54/345025154.db2.gz LMAZAXGZRBODRO-LMLFDSFASA-N 1 1 198.310 0.690 10 0 ACAEMO C[C@@H]1C[N@H+]([C@@H]2CCOC[C@@H]2C)C[C@H]1N 301007273 345025156 /nfs/dbraw/zinc/02/51/56/345025156.db2.gz LMAZAXGZRBODRO-LMLFDSFASA-N 1 1 198.310 0.690 10 0 ACAEMO C[C@@H]1COCC[C@@H]1[N@H+]1CC[C@H](N)C1 301012267 345025711 /nfs/dbraw/zinc/02/57/11/345025711.db2.gz MCSSJASLCFVUKI-UTLUCORTSA-N 1 1 184.283 0.444 10 0 ACAEMO C[C@@H]1COCC[C@H]1[N@H+]1CC[C@H](N)C1 301012261 345025821 /nfs/dbraw/zinc/02/58/21/345025821.db2.gz MCSSJASLCFVUKI-KXUCPTDWSA-N 1 1 184.283 0.444 10 0 ACAEMO C[C@@H]1COCC[C@@H]1[N@H+]1CC[C@@H](N)C1 301012258 345025883 /nfs/dbraw/zinc/02/58/83/345025883.db2.gz MCSSJASLCFVUKI-BBBLOLIVSA-N 1 1 184.283 0.444 10 0 ACAEMO C[C@@H]1COCC[C@@]1(C[NH3+])N(C)C 301014592 345026323 /nfs/dbraw/zinc/02/63/23/345026323.db2.gz MMGBGJVLVMWUBY-BDAKNGLRSA-N 1 1 172.272 0.302 10 0 ACAEMO C[C@H]1COCC[C@]1(C[NH3+])N(C)C 301014593 345026610 /nfs/dbraw/zinc/02/66/10/345026610.db2.gz MMGBGJVLVMWUBY-DTWKUNHWSA-N 1 1 172.272 0.302 10 0 ACAEMO C[C@@H]1COCC[C@@H]1[N@@H+]1CCC(=O)C1 301017915 345026965 /nfs/dbraw/zinc/02/69/65/345026965.db2.gz MYAYEAABTUSHMT-SCZZXKLOSA-N 1 1 183.251 0.686 10 0 ACAEMO C[C@@H]1COCC[C@@H]1[N@H+]1CCC(=O)C1 301017915 345026966 /nfs/dbraw/zinc/02/69/66/345026966.db2.gz MYAYEAABTUSHMT-SCZZXKLOSA-N 1 1 183.251 0.686 10 0 ACAEMO C[C@H]1COCC[C@H]1CN1CC[NH2+]CC1 301017425 345026968 /nfs/dbraw/zinc/02/69/68/345026968.db2.gz MVHOJPRTJYYEJR-QWRGUYRKSA-N 1 1 198.310 0.564 10 0 ACAEMO C[C@@H]1COCC[C@H]1[N@@H+]1CCC(=O)C1 301017914 345027058 /nfs/dbraw/zinc/02/70/58/345027058.db2.gz MYAYEAABTUSHMT-PSASIEDQSA-N 1 1 183.251 0.686 10 0 ACAEMO C[C@@H]1COCC[C@H]1[N@H+]1CCC(=O)C1 301017914 345027061 /nfs/dbraw/zinc/02/70/61/345027061.db2.gz MYAYEAABTUSHMT-PSASIEDQSA-N 1 1 183.251 0.686 10 0 ACAEMO C[C@H]1COCC[C@@H]1[N@H+]1CCC(=O)C1 301017917 345027215 /nfs/dbraw/zinc/02/72/15/345027215.db2.gz MYAYEAABTUSHMT-WPRPVWTQSA-N 1 1 183.251 0.686 10 0 ACAEMO C[C@@H]1COCC[C@H]1CN1CC[NH2+]CC1 301017424 345027118 /nfs/dbraw/zinc/02/71/18/345027118.db2.gz MVHOJPRTJYYEJR-MNOVXSKESA-N 1 1 198.310 0.564 10 0 ACAEMO C[C@@H]1COCC[C@@H]1CN1CC[NH2+]CC1 301017423 345027171 /nfs/dbraw/zinc/02/71/71/345027171.db2.gz MVHOJPRTJYYEJR-GHMZBOCLSA-N 1 1 198.310 0.564 10 0 ACAEMO C[C@H]1COCC[C@@H]1[N@@H+]1CCC(=O)C1 301017917 345027214 /nfs/dbraw/zinc/02/72/14/345027214.db2.gz MYAYEAABTUSHMT-WPRPVWTQSA-N 1 1 183.251 0.686 10 0 ACAEMO C[C@H]1COCC[C@H]1[N@@H+]1CCC(=O)C1 301017916 345027274 /nfs/dbraw/zinc/02/72/74/345027274.db2.gz MYAYEAABTUSHMT-WCBMZHEXSA-N 1 1 183.251 0.686 10 0 ACAEMO C[C@H]1COCC[C@H]1[N@H+]1CCC(=O)C1 301017916 345027277 /nfs/dbraw/zinc/02/72/77/345027277.db2.gz MYAYEAABTUSHMT-WCBMZHEXSA-N 1 1 183.251 0.686 10 0 ACAEMO C[N@H+]1CCC[C@@]2(CC1)OC(=O)N=C2N 301038459 345031742 /nfs/dbraw/zinc/03/17/42/345031742.db2.gz VEVRSVLFBAUYJR-VIFPVBQESA-N 1 1 197.238 0.348 10 0 ACAEMO C[N@H+]1CCC[C@]2(CC1)OC(=O)N=C2N 301038458 345031850 /nfs/dbraw/zinc/03/18/50/345031850.db2.gz VEVRSVLFBAUYJR-SECBINFHSA-N 1 1 197.238 0.348 10 0 ACAEMO C[C@H]1CC[N@@H+](C[C@@H]2CO2)C[C@H]1O 301045737 345033499 /nfs/dbraw/zinc/03/34/99/345033499.db2.gz NZUBIGYJWUCMGE-DJLDLDEBSA-N 1 1 171.240 0.088 10 0 ACAEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)C[C@@H]1O 301045736 345033551 /nfs/dbraw/zinc/03/35/51/345033551.db2.gz NZUBIGYJWUCMGE-CIUDSAMLSA-N 1 1 171.240 0.088 10 0 ACAEMO C[C@H]1CC[N@@H+](C[C@H]2CO2)C[C@H]1O 301045738 345033638 /nfs/dbraw/zinc/03/36/38/345033638.db2.gz NZUBIGYJWUCMGE-XHNCKOQMSA-N 1 1 171.240 0.088 10 0 ACAEMO C[C@H]1C[N@@H+](C[C@H]2CO2)CC[C@@H]1O 301049357 345034095 /nfs/dbraw/zinc/03/40/95/345034095.db2.gz RKGWFEMWTLFGME-CIUDSAMLSA-N 1 1 171.240 0.088 10 0 ACAEMO C[C@H]1C[N@@H+](C[C@@H]2CO2)CC[C@H]1O 301049358 345034109 /nfs/dbraw/zinc/03/41/09/345034109.db2.gz RKGWFEMWTLFGME-DJLDLDEBSA-N 1 1 171.240 0.088 10 0 ACAEMO O[C@@H]1CC[C@H]2C[N@@H+](C[C@H]3CO3)C[C@@H]12 301047417 345034182 /nfs/dbraw/zinc/03/41/82/345034182.db2.gz PNQRLWLAUKZSEN-AXTSPUMRSA-N 1 1 183.251 0.088 10 0 ACAEMO C[C@H]1C[N@@H+](C[C@H]2CO2)CC[C@H]1O 301049359 345034218 /nfs/dbraw/zinc/03/42/18/345034218.db2.gz RKGWFEMWTLFGME-XHNCKOQMSA-N 1 1 171.240 0.088 10 0 ACAEMO O[C@@H]1CC[C@H]2C[N@@H+](C[C@H]3CO3)C[C@H]12 301047416 345034250 /nfs/dbraw/zinc/03/42/50/345034250.db2.gz PNQRLWLAUKZSEN-AATLWQCWSA-N 1 1 183.251 0.088 10 0 ACAEMO CC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 306148037 345036016 /nfs/dbraw/zinc/03/60/16/345036016.db2.gz AYTIDUJHYITOFI-SECBINFHSA-N 1 1 184.239 0.581 10 0 ACAEMO CC(C)NC(=O)C[N@H+]1CCC1(C)C 306147828 345036067 /nfs/dbraw/zinc/03/60/67/345036067.db2.gz AIYGDYUVZQMCKH-UHFFFAOYSA-N 1 1 184.283 0.995 10 0 ACAEMO C[C@@H]1SCC[C@H]1[NH2+]C1CNC1 306147857 345036088 /nfs/dbraw/zinc/03/60/88/345036088.db2.gz ALZRTCDBMLKHIS-POYBYMJQSA-N 1 1 172.297 0.442 10 0 ACAEMO CC[N@H+]1CCC[C@]2(CNC(=O)O2)C1 306148040 345036119 /nfs/dbraw/zinc/03/61/19/345036119.db2.gz AYTIDUJHYITOFI-VIFPVBQESA-N 1 1 184.239 0.581 10 0 ACAEMO C[C@@H]1SCC[C@@H]1[NH2+]C1CNC1 306147859 345036240 /nfs/dbraw/zinc/03/62/40/345036240.db2.gz 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C[C@H]1C[C@@H](C)[N@H+]1Cc1nc(=O)[nH][nH]1 307118953 345820315 /nfs/dbraw/zinc/82/03/15/345820315.db2.gz RGIXFYQPYNZZES-OLQVQODUSA-N 1 1 182.227 0.081 10 0 ACAEMO CC[C@@H](O)[C@@H](C)[N@H+]1CCN2CC[C@H]1C2 307119899 345820358 /nfs/dbraw/zinc/82/03/58/345820358.db2.gz AHQURGCRXJZNJE-OUAUKWLOSA-N 1 1 198.310 0.536 10 0 ACAEMO C[C@H](O)C[N@H+]1CCC[C@H]2OCC[C@H]21 307122170 345821530 /nfs/dbraw/zinc/82/15/30/345821530.db2.gz KYJCYFWLYBVJTG-IVZWLZJFSA-N 1 1 185.267 0.621 10 0 ACAEMO C[C@@H](O)C[N@H+]1CCC[C@H]2OCC[C@H]21 307122171 345822379 /nfs/dbraw/zinc/82/23/79/345822379.db2.gz KYJCYFWLYBVJTG-OPRDCNLKSA-N 1 1 185.267 0.621 10 0 ACAEMO Cc1ncc(CNc2ncn(C)n2)[nH]1 307123431 345822582 /nfs/dbraw/zinc/82/25/82/345822582.db2.gz XHZPNAGRMYPBLL-UHFFFAOYSA-N 1 1 192.226 0.459 10 0 ACAEMO CC1(NC[C@H]2CC[NH2+]2)CCC1 307125236 345823603 /nfs/dbraw/zinc/82/36/03/345823603.db2.gz ZNHGLHKYBAJRHC-MRVPVSSYSA-N 1 1 154.257 0.881 10 0 ACAEMO CC1([NH2+]C[C@H]2CCN2)CCC1 307125236 345823605 /nfs/dbraw/zinc/82/36/05/345823605.db2.gz ZNHGLHKYBAJRHC-MRVPVSSYSA-N 1 1 154.257 0.881 10 0 ACAEMO CC1(NC[C@@H]2CC[NH2+]2)CCC1 307125237 345823644 /nfs/dbraw/zinc/82/36/44/345823644.db2.gz ZNHGLHKYBAJRHC-QMMMGPOBSA-N 1 1 154.257 0.881 10 0 ACAEMO CC1([NH2+]C[C@@H]2CCN2)CCC1 307125237 345823648 /nfs/dbraw/zinc/82/36/48/345823648.db2.gz ZNHGLHKYBAJRHC-QMMMGPOBSA-N 1 1 154.257 0.881 10 0 ACAEMO NC(=[NH2+])CCN1CCC1 307125770 345824282 /nfs/dbraw/zinc/82/42/82/345824282.db2.gz LGCOMKXAPBPFBL-UHFFFAOYSA-N 1 1 127.191 0.018 10 0 ACAEMO C[C@H]([NH3+])c1cnc(-c2cn(C)nn2)[nH]1 307126712 345824816 /nfs/dbraw/zinc/82/48/16/345824816.db2.gz VBGXUTCHPUEZCY-YFKPBYRVSA-N 1 1 192.226 0.225 10 0 ACAEMO C[C@@H]([NH3+])c1cnc(-c2cn(C)nn2)[nH]1 307126711 345824954 /nfs/dbraw/zinc/82/49/54/345824954.db2.gz VBGXUTCHPUEZCY-RXMQYKEDSA-N 1 1 192.226 0.225 10 0 ACAEMO C[C@@H]1CC[C@H]([NH2+]C2CC(O)C2)CN1 307127695 345825396 /nfs/dbraw/zinc/82/53/96/345825396.db2.gz DSVDQUCIPCRFCY-XHHQTKHESA-N 1 1 184.283 0.240 10 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/nfs/dbraw/zinc/82/63/23/345826323.db2.gz FARJDYXRQTVEKP-LURJTMIESA-N 1 1 168.244 0.939 10 0 ACAEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(N)=S 307129229 345826637 /nfs/dbraw/zinc/82/66/37/345826637.db2.gz XUCDSRZYWMJOKB-RNFRBKRXSA-N 1 1 188.296 0.118 10 0 ACAEMO C[C@@H]1CC[C@H](O)C[N@H+]1CC(N)=S 307129231 345826699 /nfs/dbraw/zinc/82/66/99/345826699.db2.gz XUCDSRZYWMJOKB-RQJHMYQMSA-N 1 1 188.296 0.118 10 0 ACAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CC(N)=S 307129228 345826781 /nfs/dbraw/zinc/82/67/81/345826781.db2.gz XUCDSRZYWMJOKB-NKWVEPMBSA-N 1 1 188.296 0.118 10 0 ACAEMO [NH3+]Cc1ncc([C@@H]2[C@H]3COC[C@H]32)o1 307129503 345826788 /nfs/dbraw/zinc/82/67/88/345826788.db2.gz JYPBKEMZYDSABO-KPCSLPGQSA-N 1 1 180.207 0.493 10 0 ACAEMO C[C@H]1CC[C@H](O)C[N@H+]1CC(N)=S 307129227 345826876 /nfs/dbraw/zinc/82/68/76/345826876.db2.gz XUCDSRZYWMJOKB-BQBZGAKWSA-N 1 1 188.296 0.118 10 0 ACAEMO CNC(=O)CC[N@H+]1[C@@H](C)C[C@H]1C 307129017 345826924 /nfs/dbraw/zinc/82/69/24/345826924.db2.gz FJRALWAJXHCRMG-OCAPTIKFSA-N 1 1 170.256 0.605 10 0 ACAEMO CC1CN(C[C@]2(C)CC[NH2+]C2)C1 307130173 345827319 /nfs/dbraw/zinc/82/73/19/345827319.db2.gz RDKURVFCRWPROV-SNVBAGLBSA-N 1 1 168.284 0.938 10 0 ACAEMO CC1CN(C[C@@]2(C)CC[NH2+]C2)C1 307130171 345827428 /nfs/dbraw/zinc/82/74/28/345827428.db2.gz RDKURVFCRWPROV-JTQLQIEISA-N 1 1 168.284 0.938 10 0 ACAEMO CC1([C@@H](N)C[NH3+])CCCC1 307132179 345828645 /nfs/dbraw/zinc/82/86/45/345828645.db2.gz GZJRXDTZPKKSAC-ZETCQYMHSA-N 1 1 142.246 0.853 10 0 ACAEMO CC1([C@H](N)C[NH3+])CCCC1 307132178 345828921 /nfs/dbraw/zinc/82/89/21/345828921.db2.gz GZJRXDTZPKKSAC-SSDOTTSWSA-N 1 1 142.246 0.853 10 0 ACAEMO C[C@@H](O)[C@@H](C)Nc1ccc(N)[nH+]c1 307134539 345829878 /nfs/dbraw/zinc/82/98/78/345829878.db2.gz OMTCFDUUMMZUEA-RNFRBKRXSA-N 1 1 181.239 0.845 10 0 ACAEMO C[C@H](O)[C@H](C)Nc1ccc(N)[nH+]c1 307134537 345829841 /nfs/dbraw/zinc/82/98/41/345829841.db2.gz OMTCFDUUMMZUEA-BQBZGAKWSA-N 1 1 181.239 0.845 10 0 ACAEMO C[C@H](Nc1ccc(N)[nH+]c1)[C@@H](C)O 307134538 345829888 /nfs/dbraw/zinc/82/98/88/345829888.db2.gz OMTCFDUUMMZUEA-NKWVEPMBSA-N 1 1 181.239 0.845 10 0 ACAEMO C[C@H]1C[N@@H+](C)CC[C@]12COC(N)=N2 307134280 345830104 /nfs/dbraw/zinc/83/01/04/345830104.db2.gz NXGIVYNGKLJHPI-CBAPKCEASA-N 1 1 183.255 0.042 10 0 ACAEMO C[C@H](O)[C@@H](C)Nc1ccc(N)[nH+]c1 307134540 345830186 /nfs/dbraw/zinc/83/01/86/345830186.db2.gz OMTCFDUUMMZUEA-RQJHMYQMSA-N 1 1 181.239 0.845 10 0 ACAEMO C[C@@H]1C[N@@H+](C)CC[C@]12COC(N)=N2 307134279 345830330 /nfs/dbraw/zinc/83/03/30/345830330.db2.gz NXGIVYNGKLJHPI-APPZFPTMSA-N 1 1 183.255 0.042 10 0 ACAEMO C[C@@H]1C[N@@H+](C)CC[C@@]12COC(N)=N2 307134282 345830369 /nfs/dbraw/zinc/83/03/69/345830369.db2.gz NXGIVYNGKLJHPI-VXNVDRBHSA-N 1 1 183.255 0.042 10 0 ACAEMO C[C@H]1C[N@@H+](C)CC[C@@]12COC(N)=N2 307134281 345830386 /nfs/dbraw/zinc/83/03/86/345830386.db2.gz NXGIVYNGKLJHPI-IONNQARKSA-N 1 1 183.255 0.042 10 0 ACAEMO [NH3+]C1CC(N2CCC[C@@H](O)CC2)C1 307135737 345830664 /nfs/dbraw/zinc/83/06/64/345830664.db2.gz RPORZNORWPOHHN-UDNWOFFPSA-N 1 1 184.283 0.323 10 0 ACAEMO [NH3+]C1CC(N2CCC[C@H](O)CC2)C1 307135736 345830767 /nfs/dbraw/zinc/83/07/67/345830767.db2.gz RPORZNORWPOHHN-RTBKNWGFSA-N 1 1 184.283 0.323 10 0 ACAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CCC1 307138980 345833166 /nfs/dbraw/zinc/83/31/66/345833166.db2.gz CHIDQCZMBXOKMY-APPZFPTMSA-N 1 1 198.266 0.032 10 0 ACAEMO CC1(c2cc[nH+]c(NN)n2)CC1 307139209 345833409 /nfs/dbraw/zinc/83/34/09/345833409.db2.gz CKANYCAWXFRAIW-UHFFFAOYSA-N 1 1 164.212 0.814 10 0 ACAEMO C[C@H]1CC[C@H]([N@H+]2CCNC(=O)C2)C1 307139833 345833684 /nfs/dbraw/zinc/83/36/84/345833684.db2.gz ASYHXSAXGAPZDL-IUCAKERBSA-N 1 1 182.267 0.607 10 0 ACAEMO C[C@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)C1 307139819 345833727 /nfs/dbraw/zinc/83/37/27/345833727.db2.gz ASYHXSAXGAPZDL-DTWKUNHWSA-N 1 1 182.267 0.607 10 0 ACAEMO NNc1ncc2c([nH+]1)C1CCN2CC1 307140346 345834215 /nfs/dbraw/zinc/83/42/15/345834215.db2.gz CODXVTULLPHTCS-UHFFFAOYSA-N 1 1 191.238 0.460 10 0 ACAEMO CC[NH+]1CC(Nc2nccnc2N)C1 307141063 345834563 /nfs/dbraw/zinc/83/45/63/345834563.db2.gz CXOQAMCQGBEIBT-UHFFFAOYSA-N 1 1 193.254 0.175 10 0 ACAEMO CC[C@@H]1C[C@@H]1C[NH+]1CCNCC1 307142147 345835647 /nfs/dbraw/zinc/83/56/47/345835647.db2.gz DNVJHJRDAHUXNK-NXEZZACHSA-N 1 1 168.284 0.938 10 0 ACAEMO CC[C@H]1C[C@H]1C[NH+]1CCNCC1 307142148 345835797 /nfs/dbraw/zinc/83/57/97/345835797.db2.gz DNVJHJRDAHUXNK-UWVGGRQHSA-N 1 1 168.284 0.938 10 0 ACAEMO CC[C@H]1C[C@@H]1C[NH+]1CCNCC1 307142149 345835943 /nfs/dbraw/zinc/83/59/43/345835943.db2.gz DNVJHJRDAHUXNK-VHSXEESVSA-N 1 1 168.284 0.938 10 0 ACAEMO C1CCC([NH2+]C[C@@H]2CCN2)C1 307143201 345836161 /nfs/dbraw/zinc/83/61/61/345836161.db2.gz GJQQUTKDGRBTPM-VIFPVBQESA-N 1 1 154.257 0.881 10 0 ACAEMO C1CCC(NC[C@@H]2CC[NH2+]2)C1 307143201 345836165 /nfs/dbraw/zinc/83/61/65/345836165.db2.gz GJQQUTKDGRBTPM-VIFPVBQESA-N 1 1 154.257 0.881 10 0 ACAEMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2C[C@@H]21 307142909 345836180 /nfs/dbraw/zinc/83/61/80/345836180.db2.gz FGHBXZMGYRVRGN-HLTSFMKQSA-N 1 1 182.267 0.557 10 0 ACAEMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2C[C@H]21 307142918 345836209 /nfs/dbraw/zinc/83/62/09/345836209.db2.gz FGHBXZMGYRVRGN-HRDYMLBCSA-N 1 1 182.267 0.557 10 0 ACAEMO C1CCC([NH2+]C[C@H]2CCN2)C1 307143200 345836337 /nfs/dbraw/zinc/83/63/37/345836337.db2.gz GJQQUTKDGRBTPM-SECBINFHSA-N 1 1 154.257 0.881 10 0 ACAEMO C1CCC(NC[C@H]2CC[NH2+]2)C1 307143200 345836339 /nfs/dbraw/zinc/83/63/39/345836339.db2.gz GJQQUTKDGRBTPM-SECBINFHSA-N 1 1 154.257 0.881 10 0 ACAEMO NC(=S)C[N@H+]1CCC[C@@H](O)CC1 307144505 345837482 /nfs/dbraw/zinc/83/74/82/345837482.db2.gz LWYNPZAHVMASAC-SSDOTTSWSA-N 1 1 188.296 0.119 10 0 ACAEMO NC(=S)C[N@H+]1CCC[C@H](O)CC1 307144507 345837640 /nfs/dbraw/zinc/83/76/40/345837640.db2.gz LWYNPZAHVMASAC-ZETCQYMHSA-N 1 1 188.296 0.119 10 0 ACAEMO [NH3+][C@]1(C(=O)c2cscn2)CCOC1 307146325 345839655 /nfs/dbraw/zinc/83/96/55/345839655.db2.gz NLNMYQUTBCHIAR-MRVPVSSYSA-N 1 1 198.247 0.444 10 0 ACAEMO [NH3+][C@@]1(C(=O)c2cscn2)CCOC1 307146328 345839673 /nfs/dbraw/zinc/83/96/73/345839673.db2.gz NLNMYQUTBCHIAR-QMMMGPOBSA-N 1 1 198.247 0.444 10 0 ACAEMO Cn1nccc1[C@@H]([NH3+])c1ccns1 307150379 345842585 /nfs/dbraw/zinc/84/25/85/345842585.db2.gz SZSCIDHYFNVIRG-MRVPVSSYSA-N 1 1 194.263 0.925 10 0 ACAEMO CC[C@@H](C)[N@H+]1CCNC(=O)[C@H]1C 307149871 345842661 /nfs/dbraw/zinc/84/26/61/345842661.db2.gz SBAHNAWFPDMEPP-HTQZYQBOSA-N 1 1 170.256 0.605 10 0 ACAEMO CC[C@H](C)[N@H+]1CCNC(=O)[C@H]1C 307149877 345842680 /nfs/dbraw/zinc/84/26/80/345842680.db2.gz SBAHNAWFPDMEPP-JGVFFNPUSA-N 1 1 170.256 0.605 10 0 ACAEMO Cn1nccc1[C@H]([NH3+])c1ccns1 307150380 345842704 /nfs/dbraw/zinc/84/27/04/345842704.db2.gz SZSCIDHYFNVIRG-QMMMGPOBSA-N 1 1 194.263 0.925 10 0 ACAEMO CC[C@@H](C)[N@H+]1CCNC(=O)[C@@H]1C 307149884 345842841 /nfs/dbraw/zinc/84/28/41/345842841.db2.gz SBAHNAWFPDMEPP-SFYZADRCSA-N 1 1 170.256 0.605 10 0 ACAEMO CC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1C 307149891 345842972 /nfs/dbraw/zinc/84/29/72/345842972.db2.gz SBAHNAWFPDMEPP-YUMQZZPRSA-N 1 1 170.256 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/nfs/dbraw/zinc/85/26/15/345852615.db2.gz DIDCPSGVAGHIQV-VIFPVBQESA-N 1 1 173.256 0.480 10 0 ACAEMO CCCC[N@H+]1CCOC[C@H](O)C1 307160207 345852634 /nfs/dbraw/zinc/85/26/34/345852634.db2.gz DIDCPSGVAGHIQV-SECBINFHSA-N 1 1 173.256 0.480 10 0 ACAEMO CSCC[N@H+]1CCc2nn[nH]c2C1 307161317 345853138 /nfs/dbraw/zinc/85/31/38/345853138.db2.gz KIUVUPOFQVDVCL-UHFFFAOYSA-N 1 1 198.295 0.526 10 0 ACAEMO CSCC[N@@H+]1CCc2n[nH]nc2C1 307161317 345853140 /nfs/dbraw/zinc/85/31/40/345853140.db2.gz KIUVUPOFQVDVCL-UHFFFAOYSA-N 1 1 198.295 0.526 10 0 ACAEMO CSCC[N@H+]1CCc2n[nH]nc2C1 307161317 345853142 /nfs/dbraw/zinc/85/31/42/345853142.db2.gz KIUVUPOFQVDVCL-UHFFFAOYSA-N 1 1 198.295 0.526 10 0 ACAEMO CSC1([C@H]2COC(N)=[NH+]2)CC1 307161661 345853912 /nfs/dbraw/zinc/85/39/12/345853912.db2.gz XEYHPHHRSUTURG-RXMQYKEDSA-N 1 1 172.253 0.596 10 0 ACAEMO CSC1([C@@H]2COC(N)=[NH+]2)CC1 307161662 345854221 /nfs/dbraw/zinc/85/42/21/345854221.db2.gz XEYHPHHRSUTURG-YFKPBYRVSA-N 1 1 172.253 0.596 10 0 ACAEMO 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/nfs/dbraw/zinc/66/17/54/346661754.db2.gz GHWVIJNURHYYND-RKDXNWHRSA-N 1 1 166.268 0.962 10 0 ACAEMO [NH3+][C@@H]1C[C@H](N2CCC2)C12CCC2 405247335 346661784 /nfs/dbraw/zinc/66/17/84/346661784.db2.gz GHWVIJNURHYYND-BDAKNGLRSA-N 1 1 166.268 0.962 10 0 ACAEMO CC1(C)[C@@H](N2CCC2)C[C@H]1[NH3+] 405291846 346662585 /nfs/dbraw/zinc/66/25/85/346662585.db2.gz YJKOKCMIVLEQPJ-SFYZADRCSA-N 1 1 154.257 0.818 10 0 ACAEMO CC1(C)[C@@H]([NH3+])C[C@@H]1N1CCC1 405291847 346662872 /nfs/dbraw/zinc/66/28/72/346662872.db2.gz YJKOKCMIVLEQPJ-YUMQZZPRSA-N 1 1 154.257 0.818 10 0 ACAEMO CC1(C)[C@H]([NH3+])C[C@H]1N1CCC1 405291844 346662963 /nfs/dbraw/zinc/66/29/63/346662963.db2.gz YJKOKCMIVLEQPJ-HTQZYQBOSA-N 1 1 154.257 0.818 10 0 ACAEMO CC1(C)[C@@H]([NH3+])C[C@H]1N1CCC1 405291845 346663019 /nfs/dbraw/zinc/66/30/19/346663019.db2.gz YJKOKCMIVLEQPJ-JGVFFNPUSA-N 1 1 154.257 0.818 10 0 ACAEMO [NH3+]CC1CN([C@@H]2CCSC2)C1 405303060 346663297 /nfs/dbraw/zinc/66/32/97/346663297.db2.gz KQLQQFFRCSEVGK-MRVPVSSYSA-N 1 1 172.297 0.382 10 0 ACAEMO [NH3+]CC1CN([C@H]2CCSC2)C1 405303061 346663466 /nfs/dbraw/zinc/66/34/66/346663466.db2.gz KQLQQFFRCSEVGK-QMMMGPOBSA-N 1 1 172.297 0.382 10 0 ACAEMO [NH3+][C@@H]1CCC[C@H]1Cc1nc[nH]n1 405307434 346663336 /nfs/dbraw/zinc/66/33/36/346663336.db2.gz RESLOTLIGPFSAW-NKWVEPMBSA-N 1 1 166.228 0.475 10 0 ACAEMO CC1(C)[C@@H]([NH3+])C[C@@H]1NC1CC(O)C1 405301913 346663391 /nfs/dbraw/zinc/66/33/91/346663391.db2.gz TYVLGWXVPYHFCA-PEBLOWIWSA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@@H](N)C[C@@H]1[NH2+]C1CC(O)C1 405301913 346663394 /nfs/dbraw/zinc/66/33/94/346663394.db2.gz TYVLGWXVPYHFCA-PEBLOWIWSA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@@H]([NH3+])C[C@H]1NC1CC(O)C1 405301909 346663401 /nfs/dbraw/zinc/66/34/01/346663401.db2.gz TYVLGWXVPYHFCA-ABIFROTESA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@@H](N)C[C@H]1[NH2+]C1CC(O)C1 405301909 346663405 /nfs/dbraw/zinc/66/34/05/346663405.db2.gz TYVLGWXVPYHFCA-ABIFROTESA-N 1 1 184.283 0.225 10 0 ACAEMO Cc1n[nH]c(C[C@@H]2CCC[C@H]2[NH3+])n1 405299628 346663432 /nfs/dbraw/zinc/66/34/32/346663432.db2.gz MSQXQGMFBMRVRX-JGVFFNPUSA-N 1 1 180.255 0.783 10 0 ACAEMO CC1(C)[C@@H](NC2CC(O)C2)C[C@H]1[NH3+] 405301915 346663472 /nfs/dbraw/zinc/66/34/72/346663472.db2.gz TYVLGWXVPYHFCA-YNTFGVKOSA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@@H]([NH2+]C2CC(O)C2)C[C@H]1N 405301915 346663475 /nfs/dbraw/zinc/66/34/75/346663475.db2.gz TYVLGWXVPYHFCA-YNTFGVKOSA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@H]([NH3+])C[C@H]1NC1CC(O)C1 405301911 346663498 /nfs/dbraw/zinc/66/34/98/346663498.db2.gz TYVLGWXVPYHFCA-GEPGNKONSA-N 1 1 184.283 0.225 10 0 ACAEMO CC1(C)[C@H](N)C[C@H]1[NH2+]C1CC(O)C1 405301911 346663499 /nfs/dbraw/zinc/66/34/99/346663499.db2.gz TYVLGWXVPYHFCA-GEPGNKONSA-N 1 1 184.283 0.225 10 0 ACAEMO C[NH2+][C@@H]1C[C@@H](N)C1(C)C 405339949 346663889 /nfs/dbraw/zinc/66/38/89/346663889.db2.gz CDLGXKRNVCJPGN-PHDIDXHHSA-N 1 1 128.219 0.332 10 0 ACAEMO C[NH2+][C@H]1C[C@H](N)C1(C)C 405339951 346664215 /nfs/dbraw/zinc/66/42/15/346664215.db2.gz CDLGXKRNVCJPGN-WDSKDSINSA-N 1 1 128.219 0.332 10 0 ACAEMO C[NH2+][C@@H]1C[C@H](N)C1(C)C 405339948 346664197 /nfs/dbraw/zinc/66/41/97/346664197.db2.gz CDLGXKRNVCJPGN-NTSWFWBYSA-N 1 1 128.219 0.332 10 0 ACAEMO C[NH2+][C@H]1C[C@@H](N)C1(C)C 405339950 346664251 /nfs/dbraw/zinc/66/42/51/346664251.db2.gz CDLGXKRNVCJPGN-RITPCOANSA-N 1 1 128.219 0.332 10 0 ACAEMO c1nc([C@H]2CC23CC[NH2+]CC3)n[nH]1 405377960 346664653 /nfs/dbraw/zinc/66/46/53/346664653.db2.gz FGTQMQRITQHSSK-SSDOTTSWSA-N 1 1 178.239 0.662 10 0 ACAEMO CC1(C)[C@@H](N)C[C@H]1[NH2+]C1CC1 405398426 346665283 /nfs/dbraw/zinc/66/52/83/346665283.db2.gz PFCIKFAPKMKSFL-JGVFFNPUSA-N 1 1 154.257 0.864 10 0 ACAEMO CC1(C)[C@H](N)C[C@H]1[NH2+]C1CC1 405398425 346665538 /nfs/dbraw/zinc/66/55/38/346665538.db2.gz PFCIKFAPKMKSFL-HTQZYQBOSA-N 1 1 154.257 0.864 10 0 ACAEMO CC1(C)[C@@H](N)C[C@@H]1[NH2+]C1CC1 405398429 346665702 /nfs/dbraw/zinc/66/57/02/346665702.db2.gz PFCIKFAPKMKSFL-YUMQZZPRSA-N 1 1 154.257 0.864 10 0 ACAEMO CC1(C)[C@@H]([NH2+]C2CC2)C[C@H]1N 405398428 346665749 /nfs/dbraw/zinc/66/57/49/346665749.db2.gz PFCIKFAPKMKSFL-SFYZADRCSA-N 1 1 154.257 0.864 10 0 ACAEMO C[NH2+][C@H]1C[C@@H](N)C12CCC2 405415012 346665953 /nfs/dbraw/zinc/66/59/53/346665953.db2.gz OGKYGAGEWORGIX-RQJHMYQMSA-N 1 1 140.230 0.476 10 0 ACAEMO C[NH2+][C@H]1C[C@H](N)C12CCC2 405415008 346665961 /nfs/dbraw/zinc/66/59/61/346665961.db2.gz OGKYGAGEWORGIX-BQBZGAKWSA-N 1 1 140.230 0.476 10 0 ACAEMO C[NH2+][C@@H]1C[C@@H](N)C12CCC2 405415011 346666026 /nfs/dbraw/zinc/66/60/26/346666026.db2.gz OGKYGAGEWORGIX-RNFRBKRXSA-N 1 1 140.230 0.476 10 0 ACAEMO CC[NH2+][C@@H]1C[C@H](N)C12CCC2 405421315 346666039 /nfs/dbraw/zinc/66/60/39/346666039.db2.gz PVTRINBLDQUSMH-JGVFFNPUSA-N 1 1 154.257 0.866 10 0 ACAEMO CC[NH2+][C@H]1C[C@@H](N)C12CCC2 405421317 346666095 /nfs/dbraw/zinc/66/60/95/346666095.db2.gz PVTRINBLDQUSMH-SFYZADRCSA-N 1 1 154.257 0.866 10 0 ACAEMO C[NH2+][C@@H]1C[C@H](N)C12CCC2 405415010 346666140 /nfs/dbraw/zinc/66/61/40/346666140.db2.gz OGKYGAGEWORGIX-NKWVEPMBSA-N 1 1 140.230 0.476 10 0 ACAEMO CC[NH2+][C@H]1C[C@H](N)C12CCC2 405421319 346666176 /nfs/dbraw/zinc/66/61/76/346666176.db2.gz PVTRINBLDQUSMH-YUMQZZPRSA-N 1 1 154.257 0.866 10 0 ACAEMO CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 405421314 346666300 /nfs/dbraw/zinc/66/63/00/346666300.db2.gz PVTRINBLDQUSMH-HTQZYQBOSA-N 1 1 154.257 0.866 10 0 ACAEMO C[C@@H]1OC[C@@]([NH3+])(c2ncon2)[C@H]1C 405678779 346670484 /nfs/dbraw/zinc/67/04/84/346670484.db2.gz SUBASTBAZVPRKJ-HAFWLYHUSA-N 1 1 183.211 0.278 10 0 ACAEMO C[C@@H]1OC[C@@]([NH3+])(c2ncon2)[C@@H]1C 405678777 346670496 /nfs/dbraw/zinc/67/04/96/346670496.db2.gz SUBASTBAZVPRKJ-CHKWXVPMSA-N 1 1 183.211 0.278 10 0 ACAEMO C[C@@H]1OC[C@]([NH3+])(c2ncon2)[C@@H]1C 405678778 346670693 /nfs/dbraw/zinc/67/06/93/346670693.db2.gz SUBASTBAZVPRKJ-GKROBHDKSA-N 1 1 183.211 0.278 10 0 ACAEMO [NH3+]Cc1ncn([C@@H]2CCSC2)n1 405712011 346671622 /nfs/dbraw/zinc/67/16/22/346671622.db2.gz RVAIOLBLCJUBFI-ZCFIWIBFSA-N 1 1 184.268 0.415 10 0 ACAEMO [NH3+]Cc1ncn([C@H]2CCSC2)n1 405712005 346671642 /nfs/dbraw/zinc/67/16/42/346671642.db2.gz RVAIOLBLCJUBFI-LURJTMIESA-N 1 1 184.268 0.415 10 0 ACAEMO C[C@]1(N)CC[N@H+](C[C@@H]2CCOC2)C1 405768765 346673217 /nfs/dbraw/zinc/67/32/17/346673217.db2.gz CARFFLJQKAVYHI-UWVGGRQHSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@]1(N)CC[N@@H+](C[C@@H]2CCOC2)C1 405768765 346673219 /nfs/dbraw/zinc/67/32/19/346673219.db2.gz CARFFLJQKAVYHI-UWVGGRQHSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@]1([NH3+])CCN(C[C@@H]2CCOC2)C1 405768765 346673222 /nfs/dbraw/zinc/67/32/22/346673222.db2.gz CARFFLJQKAVYHI-UWVGGRQHSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@]1(N)CC[N@H+](C[C@H]2CCOC2)C1 405768768 346673273 /nfs/dbraw/zinc/67/32/73/346673273.db2.gz CARFFLJQKAVYHI-ZJUUUORDSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@]1(N)CC[N@@H+](C[C@H]2CCOC2)C1 405768768 346673275 /nfs/dbraw/zinc/67/32/75/346673275.db2.gz CARFFLJQKAVYHI-ZJUUUORDSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@]1([NH3+])CCN(C[C@H]2CCOC2)C1 405768768 346673278 /nfs/dbraw/zinc/67/32/78/346673278.db2.gz CARFFLJQKAVYHI-ZJUUUORDSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@@]1(N)CC[N@H+](C[C@@H]2CCOC2)C1 405768767 346673335 /nfs/dbraw/zinc/67/33/35/346673335.db2.gz CARFFLJQKAVYHI-VHSXEESVSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@@]1(N)CC[N@@H+](C[C@@H]2CCOC2)C1 405768767 346673338 /nfs/dbraw/zinc/67/33/38/346673338.db2.gz CARFFLJQKAVYHI-VHSXEESVSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@@]1([NH3+])CCN(C[C@@H]2CCOC2)C1 405768767 346673340 /nfs/dbraw/zinc/67/33/40/346673340.db2.gz CARFFLJQKAVYHI-VHSXEESVSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@@]1([NH3+])CCN(C2CCC2)C1 405770661 346673458 /nfs/dbraw/zinc/67/34/58/346673458.db2.gz DBBRGWGLOMMTPJ-SECBINFHSA-N 1 1 154.257 0.962 10 0 ACAEMO C[C@@]1(N)CC[N@@H+](C2CCC2)C1 405770661 346673461 /nfs/dbraw/zinc/67/34/61/346673461.db2.gz DBBRGWGLOMMTPJ-SECBINFHSA-N 1 1 154.257 0.962 10 0 ACAEMO C[C@@]1(N)CC[N@H+](C2CCC2)C1 405770661 346673463 /nfs/dbraw/zinc/67/34/63/346673463.db2.gz DBBRGWGLOMMTPJ-SECBINFHSA-N 1 1 154.257 0.962 10 0 ACAEMO C[C@@]1(N)CC[N@H+](C[C@H]2CCOC2)C1 405768764 346673484 /nfs/dbraw/zinc/67/34/84/346673484.db2.gz CARFFLJQKAVYHI-NXEZZACHSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@@]1(N)CC[N@@H+](C[C@H]2CCOC2)C1 405768764 346673487 /nfs/dbraw/zinc/67/34/87/346673487.db2.gz CARFFLJQKAVYHI-NXEZZACHSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@@]1([NH3+])CCN(C[C@H]2CCOC2)C1 405768764 346673490 /nfs/dbraw/zinc/67/34/90/346673490.db2.gz CARFFLJQKAVYHI-NXEZZACHSA-N 1 1 184.283 0.446 10 0 ACAEMO C[C@]1([NH3+])CCN([C@@H]2CCC[C@@H]2O)C1 405781000 346673866 /nfs/dbraw/zinc/67/38/66/346673866.db2.gz HHUWJKQSAHVNDP-UTLUCORTSA-N 1 1 184.283 0.323 10 0 ACAEMO C[C@]1([NH3+])CCN([C@H]2CCC[C@@H]2O)C1 405780999 346673976 /nfs/dbraw/zinc/67/39/76/346673976.db2.gz HHUWJKQSAHVNDP-GUBZILKMSA-N 1 1 184.283 0.323 10 0 ACAEMO C[C@]1([NH3+])CCN(Cc2cnc[nH]2)C1 405785491 346674073 /nfs/dbraw/zinc/67/40/73/346674073.db2.gz DZUPXBXAZNCINE-VIFPVBQESA-N 1 1 180.255 0.333 10 0 ACAEMO C[C@]1([NH3+])CCN([C@@H]2CCC[C@H]2O)C1 405780997 346674103 /nfs/dbraw/zinc/67/41/03/346674103.db2.gz HHUWJKQSAHVNDP-BBBLOLIVSA-N 1 1 184.283 0.323 10 0 ACAEMO C[C@@]1([NH3+])CCN(Cc2cnc[nH]2)C1 405785490 346674126 /nfs/dbraw/zinc/67/41/26/346674126.db2.gz DZUPXBXAZNCINE-SECBINFHSA-N 1 1 180.255 0.333 10 0 ACAEMO C[C@]1([NH3+])CCN([C@H]2CCC[C@H]2O)C1 405780995 346674193 /nfs/dbraw/zinc/67/41/93/346674193.db2.gz HHUWJKQSAHVNDP-AEJSXWLSSA-N 1 1 184.283 0.323 10 0 ACAEMO C[C@@]1(N)CC[N@@H+](C2CCOCC2)C1 405808027 346674669 /nfs/dbraw/zinc/67/46/69/346674669.db2.gz RYBOOPJMDUZGAL-SNVBAGLBSA-N 1 1 184.283 0.589 10 0 ACAEMO C[C@@]1(N)CC[N@H+](C2CCOCC2)C1 405808027 346674671 /nfs/dbraw/zinc/67/46/71/346674671.db2.gz RYBOOPJMDUZGAL-SNVBAGLBSA-N 1 1 184.283 0.589 10 0 ACAEMO C[C@@]1([NH3+])CCN(C2CCOCC2)C1 405808027 346674675 /nfs/dbraw/zinc/67/46/75/346674675.db2.gz RYBOOPJMDUZGAL-SNVBAGLBSA-N 1 1 184.283 0.589 10 0 ACAEMO C[C@]1(N)CC[N@@H+](C2CCOCC2)C1 405808026 346675108 /nfs/dbraw/zinc/67/51/08/346675108.db2.gz RYBOOPJMDUZGAL-JTQLQIEISA-N 1 1 184.283 0.589 10 0 ACAEMO C[C@]1(N)CC[N@H+](C2CCOCC2)C1 405808026 346675112 /nfs/dbraw/zinc/67/51/12/346675112.db2.gz RYBOOPJMDUZGAL-JTQLQIEISA-N 1 1 184.283 0.589 10 0 ACAEMO C[C@]1([NH3+])CCN(C2CCOCC2)C1 405808026 346675114 /nfs/dbraw/zinc/67/51/14/346675114.db2.gz RYBOOPJMDUZGAL-JTQLQIEISA-N 1 1 184.283 0.589 10 0 ACAEMO C[C@@]1(N)CC[N@H+](CC2CC2)C1 405836120 346675631 /nfs/dbraw/zinc/67/56/31/346675631.db2.gz UMIAOIJOTQRJNZ-SECBINFHSA-N 1 1 154.257 0.820 10 0 ACAEMO C[C@@]1(N)CC[N@@H+](CC2CC2)C1 405836120 346675632 /nfs/dbraw/zinc/67/56/32/346675632.db2.gz UMIAOIJOTQRJNZ-SECBINFHSA-N 1 1 154.257 0.820 10 0 ACAEMO C[C@@]1([NH3+])CCN(CC2CC2)C1 405836120 346675633 /nfs/dbraw/zinc/67/56/33/346675633.db2.gz UMIAOIJOTQRJNZ-SECBINFHSA-N 1 1 154.257 0.820 10 0 ACAEMO C[C@]1(N)CC[N@H+](CC2CC2)C1 405836121 346675797 /nfs/dbraw/zinc/67/57/97/346675797.db2.gz UMIAOIJOTQRJNZ-VIFPVBQESA-N 1 1 154.257 0.820 10 0 ACAEMO C[C@]1(N)CC[N@@H+](CC2CC2)C1 405836121 346675799 /nfs/dbraw/zinc/67/57/99/346675799.db2.gz UMIAOIJOTQRJNZ-VIFPVBQESA-N 1 1 154.257 0.820 10 0 ACAEMO C[C@]1([NH3+])CCN(CC2CC2)C1 405836121 346675801 /nfs/dbraw/zinc/67/58/01/346675801.db2.gz UMIAOIJOTQRJNZ-VIFPVBQESA-N 1 1 154.257 0.820 10 0 ACAEMO Cc1n[nH]c(C[C@H]2CCC[C@@H]2[NH3+])n1 405859436 346676578 /nfs/dbraw/zinc/67/65/78/346676578.db2.gz MSQXQGMFBMRVRX-SFYZADRCSA-N 1 1 180.255 0.783 10 0 ACAEMO Cc1n[nH]c(C[C@@H]2CCC[C@@H]2[NH3+])n1 405859438 346676659 /nfs/dbraw/zinc/67/66/59/346676659.db2.gz MSQXQGMFBMRVRX-YUMQZZPRSA-N 1 1 180.255 0.783 10 0 ACAEMO Cc1n[nH]c(C[C@H]2CCC[C@H]2[NH3+])n1 405859435 346676728 /nfs/dbraw/zinc/67/67/28/346676728.db2.gz MSQXQGMFBMRVRX-HTQZYQBOSA-N 1 1 180.255 0.783 10 0 ACAEMO [NH3+][C@@H]1CCC[C@@H]1Cc1nc[nH]n1 405873515 346676974 /nfs/dbraw/zinc/67/69/74/346676974.db2.gz RESLOTLIGPFSAW-RNFRBKRXSA-N 1 1 166.228 0.475 10 0 ACAEMO [NH3+][C@H]1CCC[C@H]1Cc1nc[nH]n1 405873511 346677090 /nfs/dbraw/zinc/67/70/90/346677090.db2.gz RESLOTLIGPFSAW-BQBZGAKWSA-N 1 1 166.228 0.475 10 0 ACAEMO [NH3+][C@H]1CCC[C@@H]1Cc1nc[nH]n1 405873518 346677198 /nfs/dbraw/zinc/67/71/98/346677198.db2.gz RESLOTLIGPFSAW-RQJHMYQMSA-N 1 1 166.228 0.475 10 0 ACAEMO CC(F)(F)C(C)(C)NC(=[NH2+])NO 405947855 346677534 /nfs/dbraw/zinc/67/75/34/346677534.db2.gz ZJRLSFSKHHVXBS-UHFFFAOYSA-N 1 1 181.186 0.923 10 0 ACAEMO C[N@H+]1CC[C@H](Cn2cc(C=O)nn2)C1 409423197 346679795 /nfs/dbraw/zinc/67/97/95/346679795.db2.gz APEOXWHTRYKBEG-QMMMGPOBSA-N 1 1 194.238 0.042 10 0 ACAEMO C[N@H+]1CC[C@@H](Cn2cc(C=O)nn2)C1 409423196 346680046 /nfs/dbraw/zinc/68/00/46/346680046.db2.gz APEOXWHTRYKBEG-MRVPVSSYSA-N 1 1 194.238 0.042 10 0 ACAEMO C1C[C@@H]2[C@H](C[NH2+]1)COCCN2C1CC1 409423451 346680427 /nfs/dbraw/zinc/68/04/27/346680427.db2.gz OGVBINLXGAPQIA-MWLCHTKSSA-N 1 1 196.294 0.459 10 0 ACAEMO C1C[C@H]2[C@H](C[NH2+]1)COCCN2C1CC1 409423450 346680538 /nfs/dbraw/zinc/68/05/38/346680538.db2.gz OGVBINLXGAPQIA-KOLCDFICSA-N 1 1 196.294 0.459 10 0 ACAEMO C1C[C@@H]2[C@@H](C[NH2+]1)COCCN2C1CC1 409423449 346680673 /nfs/dbraw/zinc/68/06/73/346680673.db2.gz OGVBINLXGAPQIA-GXSJLCMTSA-N 1 1 196.294 0.459 10 0 ACAEMO C1C[C@H]2[C@@H](C[NH2+]1)COCCN2C1CC1 409423453 346680819 /nfs/dbraw/zinc/68/08/19/346680819.db2.gz OGVBINLXGAPQIA-ONGXEEELSA-N 1 1 196.294 0.459 10 0 ACAEMO CCC[NH+]1CC(n2cc(CO)nn2)C1 409423786 346681070 /nfs/dbraw/zinc/68/10/70/346681070.db2.gz DBMKBMZDRYBDNY-UHFFFAOYSA-N 1 1 196.254 0.037 10 0 ACAEMO CCN1CCOC[C@@H]2C[NH2+]CC[C@@H]21 409424367 346681912 /nfs/dbraw/zinc/68/19/12/346681912.db2.gz UUELBZZAEJODPQ-UWVGGRQHSA-N 1 1 184.283 0.317 10 0 ACAEMO CCN1CCOC[C@H]2C[NH2+]CC[C@H]21 409424365 346681979 /nfs/dbraw/zinc/68/19/79/346681979.db2.gz UUELBZZAEJODPQ-NXEZZACHSA-N 1 1 184.283 0.317 10 0 ACAEMO CCN1CCOC[C@@H]2C[NH2+]CC[C@H]21 409424369 346682010 /nfs/dbraw/zinc/68/20/10/346682010.db2.gz UUELBZZAEJODPQ-VHSXEESVSA-N 1 1 184.283 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/nfs/dbraw/zinc/68/32/58/346683258.db2.gz GGANICCFFQWFTE-IUCAKERBSA-N 1 1 172.272 0.038 10 0 ACAEMO C[C@H](O)[C@@H]1CCC[N@@H+](CCN)C1 409425502 346683278 /nfs/dbraw/zinc/68/32/78/346683278.db2.gz GGANICCFFQWFTE-DTWKUNHWSA-N 1 1 172.272 0.038 10 0 ACAEMO CCOC[C@@H]1CCC[N@H+]1CCO 409425500 346683285 /nfs/dbraw/zinc/68/32/85/346683285.db2.gz GFRVSWAXDKWQRV-VIFPVBQESA-N 1 1 173.256 0.480 10 0 ACAEMO CC[C@@H]1C[N@@H+](CCN)CC[C@H]1O 409425670 346683305 /nfs/dbraw/zinc/68/33/05/346683305.db2.gz BCAMHYQTPCECKV-RKDXNWHRSA-N 1 1 172.272 0.038 10 0 ACAEMO CC[C@@H]1C[N@@H+](CCN)CC[C@@H]1O 409425667 346683319 /nfs/dbraw/zinc/68/33/19/346683319.db2.gz BCAMHYQTPCECKV-BDAKNGLRSA-N 1 1 172.272 0.038 10 0 ACAEMO CC[C@H]1C[N@@H+](CCN)CC[C@H]1O 409425668 346683351 /nfs/dbraw/zinc/68/33/51/346683351.db2.gz BCAMHYQTPCECKV-DTWKUNHWSA-N 1 1 172.272 0.038 10 0 ACAEMO CC[C@H]1C[N@@H+](CCN)CC[C@@H]1O 409425669 346683403 /nfs/dbraw/zinc/68/34/03/346683403.db2.gz BCAMHYQTPCECKV-IUCAKERBSA-N 1 1 172.272 0.038 10 0 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/nfs/dbraw/zinc/68/48/78/346684878.db2.gz DGRDDZOKXRRHQT-JTQLQIEISA-N 1 1 198.310 0.430 10 0 ACAEMO NCC[N@H+]1C[C@@H](CO)C2(CCCC2)C1 409426947 346684888 /nfs/dbraw/zinc/68/48/88/346684888.db2.gz DGRDDZOKXRRHQT-JTQLQIEISA-N 1 1 198.310 0.430 10 0 ACAEMO OCC[N@H+]1C[C@H]2CCC[C@]2(CO)C1 409426624 346685031 /nfs/dbraw/zinc/68/50/31/346685031.db2.gz CRRSMUXYNKLESZ-NXEZZACHSA-N 1 1 185.267 0.073 10 0 ACAEMO CN1C[C@@H]2C[NH2+][C@@H](C3CC3)[C@H]2C1 409426670 346685045 /nfs/dbraw/zinc/68/50/45/346685045.db2.gz FWRSTGRMPFZISP-GUBZILKMSA-N 1 1 166.268 0.546 10 0 ACAEMO OCC[N@H+]1C[C@@H]2CCC[C@@]2(CO)C1 409426626 346685111 /nfs/dbraw/zinc/68/51/11/346685111.db2.gz CRRSMUXYNKLESZ-UWVGGRQHSA-N 1 1 185.267 0.073 10 0 ACAEMO NCC[N@@H+]1C[C@H](CO)C2(CCCC2)C1 409426948 346685127 /nfs/dbraw/zinc/68/51/27/346685127.db2.gz DGRDDZOKXRRHQT-SNVBAGLBSA-N 1 1 198.310 0.430 10 0 ACAEMO NCC[N@H+]1C[C@H](CO)C2(CCCC2)C1 409426948 346685130 /nfs/dbraw/zinc/68/51/30/346685130.db2.gz DGRDDZOKXRRHQT-SNVBAGLBSA-N 1 1 198.310 0.430 10 0 ACAEMO CN1C[C@@H]2C[NH2+][C@@H](C3CC3)[C@@H]2C1 409426663 346685179 /nfs/dbraw/zinc/68/51/79/346685179.db2.gz FWRSTGRMPFZISP-AEJSXWLSSA-N 1 1 166.268 0.546 10 0 ACAEMO Nc1ccc[nH+]c1N1CC(CO)C1 409427000 346685193 /nfs/dbraw/zinc/68/51/93/346685193.db2.gz JGIMLXSKMFUCHH-UHFFFAOYSA-N 1 1 179.223 0.092 10 0 ACAEMO OCC[N@H+]1C[C@H]2CCCC[C@]2(CO)C1 409427326 346685388 /nfs/dbraw/zinc/68/53/88/346685388.db2.gz DTRRHCSZXCXIFV-GHMZBOCLSA-N 1 1 199.294 0.463 10 0 ACAEMO OCC[N@H+]1CC[C@@H](O)[C@H](CCF)C1 409427063 346685404 /nfs/dbraw/zinc/68/54/04/346685404.db2.gz DOZWGZIRXOLADW-RKDXNWHRSA-N 1 1 191.246 0.021 10 0 ACAEMO OCC[N@H+]1C[C@H]2CCCC[C@@]2(CO)C1 409427327 346685439 /nfs/dbraw/zinc/68/54/39/346685439.db2.gz DTRRHCSZXCXIFV-MNOVXSKESA-N 1 1 199.294 0.463 10 0 ACAEMO OCC[N@H+]1CC[C@@H](O)[C@@H](CCF)C1 409427057 346685646 /nfs/dbraw/zinc/68/56/46/346685646.db2.gz DOZWGZIRXOLADW-DTWKUNHWSA-N 1 1 191.246 0.021 10 0 ACAEMO OCC[N@H+]1C[C@@H]2CCCC[C@@]2(CO)C1 409427328 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PKLPFOSFPHGGFG-ZCFIWIBFSA-N 1 1 133.166 0.634 10 0 ACAEMO C[N@H+]1CCCO[C@@H](F)C1 616652529 347152453 /nfs/dbraw/zinc/15/24/53/347152453.db2.gz PKLPFOSFPHGGFG-ZCFIWIBFSA-N 1 1 133.166 0.634 10 0 ACAEMO CC(C)(C)[N@H+]1CCCO[C@@H](CN)C1 616652130 347152473 /nfs/dbraw/zinc/15/24/73/347152473.db2.gz DLGKLGKEJSKKRY-VIFPVBQESA-N 1 1 186.299 0.835 10 0 ACAEMO CC(C)(C)[N@H+]1CCCO[C@@H](CO)C1 616651871 347152490 /nfs/dbraw/zinc/15/24/90/347152490.db2.gz BFPRFUMHPMVMRD-SECBINFHSA-N 1 1 187.283 0.868 10 0 ACAEMO OCC[N@H+]1CCCC[C@@H](CO)C1 616652179 347152532 /nfs/dbraw/zinc/15/25/32/347152532.db2.gz FGBZDHUXRGDINJ-SECBINFHSA-N 1 1 173.256 0.073 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2cccnn2)C1 616651932 347152551 /nfs/dbraw/zinc/15/25/51/347152551.db2.gz LVQKTJBAFHVEJM-SNVBAGLBSA-N 1 1 193.250 0.870 10 0 ACAEMO CC(=O)[C@H]1C[N@@H+](C)CCCO1 616652538 347152874 /nfs/dbraw/zinc/15/28/74/347152874.db2.gz PSFMZTBDJWBDRC-MRVPVSSYSA-N 1 1 157.213 0.296 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2nc[nH]n2)C1 616652554 347152911 /nfs/dbraw/zinc/15/29/11/347152911.db2.gz PZRJCXAPIPXPDL-SSDOTTSWSA-N 1 1 182.227 0.198 10 0 ACAEMO C[N@@H+]1CCCO[C@@H](c2nnc[nH]2)C1 616652554 347152916 /nfs/dbraw/zinc/15/29/16/347152916.db2.gz PZRJCXAPIPXPDL-SSDOTTSWSA-N 1 1 182.227 0.198 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2nnc[nH]2)C1 616652554 347152921 /nfs/dbraw/zinc/15/29/21/347152921.db2.gz PZRJCXAPIPXPDL-SSDOTTSWSA-N 1 1 182.227 0.198 10 0 ACAEMO CC(C)[N@H+]1CCCC[C@@H](C(N)=O)C1 616652238 347152947 /nfs/dbraw/zinc/15/29/47/347152947.db2.gz FTYMZXCKSUSCRG-SECBINFHSA-N 1 1 184.283 0.982 10 0 ACAEMO CO[C@H]1C[N@@H+](C)CCCO1 616652482 347152977 /nfs/dbraw/zinc/15/29/77/347152977.db2.gz MVQPXSOKYRKLEB-SSDOTTSWSA-N 1 1 145.202 0.311 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2ncc[nH]2)C1 616652519 347153115 /nfs/dbraw/zinc/15/31/15/347153115.db2.gz OMORGXBCHJOLSY-MRVPVSSYSA-N 1 1 181.239 0.803 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2ccncn2)C1 616651970 347153124 /nfs/dbraw/zinc/15/31/24/347153124.db2.gz MEBWJRMJNRYEDY-SNVBAGLBSA-N 1 1 193.250 0.870 10 0 ACAEMO CO[C@@H]1CCCC[N@@H+](CCO)C1 616652012 347153135 /nfs/dbraw/zinc/15/31/35/347153135.db2.gz CRDNDFKZELMRKT-SECBINFHSA-N 1 1 173.256 0.480 10 0 ACAEMO CC(C)[N@H+]1CCCO[C@@H](CO)C1 616651828 347153160 /nfs/dbraw/zinc/15/31/60/347153160.db2.gz ALIODUGOMBUCRB-SECBINFHSA-N 1 1 173.256 0.478 10 0 ACAEMO CN(C)[C@@H]1C[N@@H+](C)CCCO1 616653058 347153590 /nfs/dbraw/zinc/15/35/90/347153590.db2.gz XJWVPZNQFPUOMZ-QMMMGPOBSA-N 1 1 158.245 0.226 10 0 ACAEMO C[N@H+]1CCCO[C@H](c2cn[nH]c2)C1 616653136 347153310 /nfs/dbraw/zinc/15/33/10/347153310.db2.gz XYCLHTPLPNOSOZ-VIFPVBQESA-N 1 1 181.239 0.803 10 0 ACAEMO C[N@H+]1CCCO[C@H](n2cccn2)C1 616653137 347153384 /nfs/dbraw/zinc/15/33/84/347153384.db2.gz XYNDSUQUCXNWCG-VIFPVBQESA-N 1 1 181.239 0.734 10 0 ACAEMO C[N@H+]1CCCO[C@H](c2cn[nH]n2)C1 616652767 347153396 /nfs/dbraw/zinc/15/33/96/347153396.db2.gz WHNNVOPZAIGGCT-QMMMGPOBSA-N 1 1 182.227 0.198 10 0 ACAEMO C[N@@H+]1CCCO[C@H](c2c[nH]nn2)C1 616652767 347153401 /nfs/dbraw/zinc/15/34/01/347153401.db2.gz WHNNVOPZAIGGCT-QMMMGPOBSA-N 1 1 182.227 0.198 10 0 ACAEMO C[N@H+]1CCCO[C@H](c2c[nH]nn2)C1 616652767 347153403 /nfs/dbraw/zinc/15/34/03/347153403.db2.gz WHNNVOPZAIGGCT-QMMMGPOBSA-N 1 1 182.227 0.198 10 0 ACAEMO CNc1cccc([C@@H]2CNCC[NH2+]2)c1 616653282 347153463 /nfs/dbraw/zinc/15/34/63/347153463.db2.gz KUTYZZPFJXNIGB-NSHDSACASA-N 1 1 191.278 0.962 10 0 ACAEMO C[N@H+]1CCCO[C@H](C(F)F)C1 616653057 347153705 /nfs/dbraw/zinc/15/37/05/347153705.db2.gz XIICCWQAYRUPAI-LURJTMIESA-N 1 1 165.183 0.972 10 0 ACAEMO CC(C)[N@H+]1CCCO[C@@H](CCO)C1 616652829 347153767 /nfs/dbraw/zinc/15/37/67/347153767.db2.gz LCQTXNMGQRBRGV-JTQLQIEISA-N 1 1 187.283 0.868 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](OC)C1 616653393 347153866 /nfs/dbraw/zinc/15/38/66/347153866.db2.gz NSJXJCRVZSEXSW-MRVPVSSYSA-N 1 1 159.229 0.701 10 0 ACAEMO CC(C)[N@H+]1CCCO[C@@H](N)C1 616652784 347153895 /nfs/dbraw/zinc/15/38/95/347153895.db2.gz KKLLJUHFZDCHFC-MRVPVSSYSA-N 1 1 158.245 0.402 10 0 ACAEMO CC(C)N1CCCO[C@@H]([NH3+])C1 616652784 347153897 /nfs/dbraw/zinc/15/38/97/347153897.db2.gz KKLLJUHFZDCHFC-MRVPVSSYSA-N 1 1 158.245 0.402 10 0 ACAEMO C[N@H+]1CCCO[C@H](c2cnno2)C1 616652621 347153903 /nfs/dbraw/zinc/15/39/03/347153903.db2.gz SSIDQVXCSYTDTO-QMMMGPOBSA-N 1 1 183.211 0.463 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](c2cn[nH]n2)C1 616652825 347153929 /nfs/dbraw/zinc/15/39/29/347153929.db2.gz KTCHGNJHWKPGPL-SECBINFHSA-N 1 1 196.254 0.588 10 0 ACAEMO CC[N@@H+]1CCCO[C@@H](c2c[nH]nn2)C1 616652825 347153931 /nfs/dbraw/zinc/15/39/31/347153931.db2.gz KTCHGNJHWKPGPL-SECBINFHSA-N 1 1 196.254 0.588 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](c2c[nH]nn2)C1 616652825 347153933 /nfs/dbraw/zinc/15/39/33/347153933.db2.gz KTCHGNJHWKPGPL-SECBINFHSA-N 1 1 196.254 0.588 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2c[nH]cn2)C1 616653264 347154020 /nfs/dbraw/zinc/15/40/20/347154020.db2.gz WUZSMTSKCYDZSZ-SECBINFHSA-N 1 1 181.239 0.803 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2cn[nH]n2)C1 616653214 347153945 /nfs/dbraw/zinc/15/39/45/347153945.db2.gz WHNNVOPZAIGGCT-MRVPVSSYSA-N 1 1 182.227 0.198 10 0 ACAEMO C[N@@H+]1CCCO[C@@H](c2c[nH]nn2)C1 616653214 347153947 /nfs/dbraw/zinc/15/39/47/347153947.db2.gz WHNNVOPZAIGGCT-MRVPVSSYSA-N 1 1 182.227 0.198 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2c[nH]nn2)C1 616653214 347153949 /nfs/dbraw/zinc/15/39/49/347153949.db2.gz WHNNVOPZAIGGCT-MRVPVSSYSA-N 1 1 182.227 0.198 10 0 ACAEMO CC(C)[N@H+]1CCCO[C@@H](O)C1 616652827 347153964 /nfs/dbraw/zinc/15/39/64/347153964.db2.gz KTZAXFTVNLHDKZ-MRVPVSSYSA-N 1 1 159.229 0.436 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2cnno2)C1 616653045 347153982 /nfs/dbraw/zinc/15/39/82/347153982.db2.gz SSIDQVXCSYTDTO-MRVPVSSYSA-N 1 1 183.211 0.463 10 0 ACAEMO C[N@H+]1CCCO[C@@H](n2cccn2)C1 616653582 347154353 /nfs/dbraw/zinc/15/43/53/347154353.db2.gz XYNDSUQUCXNWCG-SECBINFHSA-N 1 1 181.239 0.734 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](CO)C1 616653850 347154487 /nfs/dbraw/zinc/15/44/87/347154487.db2.gz WNOABLPBTGYWJI-MRVPVSSYSA-N 1 1 159.229 0.090 10 0 ACAEMO C[N@H+]1CCCC[C@@H](c2nn[nH]n2)C1 616654081 347154497 /nfs/dbraw/zinc/15/44/97/347154497.db2.gz LZYRFKHCQZUPGA-SSDOTTSWSA-N 1 1 181.243 0.399 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2cncnc2)C1 616653613 347154508 /nfs/dbraw/zinc/15/45/08/347154508.db2.gz ZGCOPHXAMBLYHX-SNVBAGLBSA-N 1 1 193.250 0.870 10 0 ACAEMO OCC[N@H+]1CCCO[C@@H](C(F)F)C1 616653880 347154516 /nfs/dbraw/zinc/15/45/16/347154516.db2.gz XQLZXFGSHJFEIG-SSDOTTSWSA-N 1 1 195.209 0.335 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](C(C)=O)C1 616653661 347154526 /nfs/dbraw/zinc/15/45/26/347154526.db2.gz SOWMNFUWNCISOR-SECBINFHSA-N 1 1 171.240 0.686 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](C(=O)OC)C1 616653688 347154564 /nfs/dbraw/zinc/15/45/64/347154564.db2.gz URNUJLFCHYKFSN-MRVPVSSYSA-N 1 1 187.239 0.270 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](NC(C)=O)C1 616653690 347154671 /nfs/dbraw/zinc/15/46/71/347154671.db2.gz UWJNEAGVZQXHQH-SECBINFHSA-N 1 1 186.255 0.191 10 0 ACAEMO CC[N@@H+]1CCCO[C@@H](c2conn2)C1 616653858 347154703 /nfs/dbraw/zinc/15/47/03/347154703.db2.gz WUVCAGCWDNBRIA-SECBINFHSA-N 1 1 197.238 0.853 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](c2conn2)C1 616653858 347154706 /nfs/dbraw/zinc/15/47/06/347154706.db2.gz WUVCAGCWDNBRIA-SECBINFHSA-N 1 1 197.238 0.853 10 0 ACAEMO C[N@H+]1CCCC[C@@H](C(N)=O)C1 616654304 347154714 /nfs/dbraw/zinc/15/47/14/347154714.db2.gz SFHVZXHQYKBMAB-SSDOTTSWSA-N 1 1 156.229 0.204 10 0 ACAEMO CC[N@H+]1CCCC[C@@H](c2nn[nH]n2)C1 616653989 347154721 /nfs/dbraw/zinc/15/47/21/347154721.db2.gz IEQUDQIUUGTFHS-MRVPVSSYSA-N 1 1 195.270 0.789 10 0 ACAEMO CC[N@H+]1CCCC[C@@H](C(N)=O)C1 616654069 347154763 /nfs/dbraw/zinc/15/47/63/347154763.db2.gz LMHWHGFZOLKSDH-MRVPVSSYSA-N 1 1 170.256 0.594 10 0 ACAEMO CC(C)(C)[N@H+]1CCCO[C@@H](O)C1 616653638 347154803 /nfs/dbraw/zinc/15/48/03/347154803.db2.gz RKSQUUKFCKKHKL-MRVPVSSYSA-N 1 1 173.256 0.826 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](c2cnno2)C1 616653699 347154810 /nfs/dbraw/zinc/15/48/10/347154810.db2.gz VOMLTIMFZBZTDF-SECBINFHSA-N 1 1 197.238 0.853 10 0 ACAEMO CC(C)(C)[N@H+]1CCCO[C@@H](N)C1 616653655 347154885 /nfs/dbraw/zinc/15/48/85/347154885.db2.gz SEPTXYYYANYEMB-MRVPVSSYSA-N 1 1 172.272 0.792 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](N)C1 616653926 347154912 /nfs/dbraw/zinc/15/49/12/347154912.db2.gz ZSXDEHFDAMSEOJ-SSDOTTSWSA-N 1 1 144.218 0.013 10 0 ACAEMO CCN1CCCO[C@@H]([NH3+])C1 616653926 347154916 /nfs/dbraw/zinc/15/49/16/347154916.db2.gz ZSXDEHFDAMSEOJ-SSDOTTSWSA-N 1 1 144.218 0.013 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](N(C)C)C1 616653886 347154924 /nfs/dbraw/zinc/15/49/24/347154924.db2.gz XTPLKOKGJRLBFF-SECBINFHSA-N 1 1 172.272 0.616 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](O)C1 616653647 347154930 /nfs/dbraw/zinc/15/49/30/347154930.db2.gz RXCFPEOMJUBOCT-SSDOTTSWSA-N 1 1 145.202 0.047 10 0 ACAEMO CN[C@H]1C[N@@H+](C(C)C)CCCO1 616653889 347154937 /nfs/dbraw/zinc/15/49/37/347154937.db2.gz XUZNZVBYFJKKMB-SECBINFHSA-N 1 1 172.272 0.663 10 0 ACAEMO CN[C@H]1C[N@H+](C(C)C)CCCO1 616653889 347154939 /nfs/dbraw/zinc/15/49/39/347154939.db2.gz XUZNZVBYFJKKMB-SECBINFHSA-N 1 1 172.272 0.663 10 0 ACAEMO CC(=O)N[C@@H]1CCCC[N@H+](C)C1 616653976 347154983 /nfs/dbraw/zinc/15/49/83/347154983.db2.gz HDUJDKBFUJNQDO-SECBINFHSA-N 1 1 170.256 0.607 10 0 ACAEMO CC[N@H+]1CCCO[C@@H](CCO)C1 616653625 347154991 /nfs/dbraw/zinc/15/49/91/347154991.db2.gz QWYZWAOWZAAXEN-VIFPVBQESA-N 1 1 173.256 0.480 10 0 ACAEMO C[N@H+]1CCCO[C@@H](C(F)F)C1 616653542 347155027 /nfs/dbraw/zinc/15/50/27/347155027.db2.gz XIICCWQAYRUPAI-ZCFIWIBFSA-N 1 1 165.183 0.972 10 0 ACAEMO C[N@H+]1CCCO[C@@H](c2cn[nH]c2)C1 616653580 347155039 /nfs/dbraw/zinc/15/50/39/347155039.db2.gz XYCLHTPLPNOSOZ-SECBINFHSA-N 1 1 181.239 0.803 10 0 ACAEMO CN(C)[C@H]1C[N@@H+](C)CCCO1 616653543 347155067 /nfs/dbraw/zinc/15/50/67/347155067.db2.gz XJWVPZNQFPUOMZ-MRVPVSSYSA-N 1 1 158.245 0.226 10 0 ACAEMO C[N@@H+]1CCOCC[C@@H]1c1cncnc1 616655535 347155278 /nfs/dbraw/zinc/15/52/78/347155278.db2.gz GDMPNPFLYLSZPV-SNVBAGLBSA-N 1 1 193.250 0.870 10 0 ACAEMO C[N@H+]1CCOCC[C@@H]1c1cncnc1 616655535 347155280 /nfs/dbraw/zinc/15/52/80/347155280.db2.gz 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/nfs/dbraw/zinc/26/79/59/351267959.db2.gz SARKETASTJHCQE-UHFFFAOYSA-O 1 1 182.134 0.191 10 0 ACAEMO CC[C@@H](C)N1CCN(C(N)=[NH2+])CC1 2599538 351314436 /nfs/dbraw/zinc/31/44/36/351314436.db2.gz QLEPRXJMISXSQP-MRVPVSSYSA-N 1 1 184.287 0.296 10 0 ACAEMO OC[C@@H]1CC[N@H+]2CCC[C@@H]12 4654764 351330864 /nfs/dbraw/zinc/33/08/64/351330864.db2.gz LOFDEIYZIAVXHE-YUMQZZPRSA-N 1 1 141.214 0.463 10 0 biogenic,in-vitro ACAEMO Cc1[nH]cnc1C[C@H](C)[NH3+] 5116138 351338430 /nfs/dbraw/zinc/33/84/30/351338430.db2.gz VULHNWNHMRINQS-YFKPBYRVSA-N 1 1 139.202 0.608 10 0 ACAEMO Cc1[nH]cnc1C[C@@H](C)[NH3+] 5116137 351338688 /nfs/dbraw/zinc/33/86/88/351338688.db2.gz VULHNWNHMRINQS-RXMQYKEDSA-N 1 1 139.202 0.608 10 0 ACAEMO OC[C@H]1CC[N@H+]2CCC[C@H]12 5134570 351339799 /nfs/dbraw/zinc/33/97/99/351339799.db2.gz LOFDEIYZIAVXHE-HTQZYQBOSA-N 1 1 141.214 0.463 10 0 biogenic ACAEMO C[NH+]1CCN(NC(=O)C(C)(C)C)CC1 5383558 351343845 /nfs/dbraw/zinc/34/38/45/351343845.db2.gz BUIMDHSAKNWDCP-UHFFFAOYSA-N 1 1 199.298 0.311 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NOVWCSGAGHVNMZ-YUMQZZPRSA-N 1 1 141.214 0.463 10 0 ACAEMO OC[C@H]1C[C@H]2CCC[N@H+]2C1 18425554 351385247 /nfs/dbraw/zinc/38/52/47/351385247.db2.gz NOVWCSGAGHVNMZ-JGVFFNPUSA-N 1 1 141.214 0.463 10 0 ACAEMO OC[C@@H]1C[C@H]2CCC[N@H+]2C1 18425553 351385600 /nfs/dbraw/zinc/38/56/00/351385600.db2.gz NOVWCSGAGHVNMZ-HTQZYQBOSA-N 1 1 141.214 0.463 10 0 ACAEMO c1ncc(CN2CCC[NH2+]CC2)[nH]1 22442725 351413354 /nfs/dbraw/zinc/41/33/54/351413354.db2.gz XNLYRKLODCIACJ-UHFFFAOYSA-N 1 1 180.255 0.205 10 0 ACAEMO C[C@@H]1CN[C@@H](C2CC2)C[NH2+]1 23311881 351414420 /nfs/dbraw/zinc/41/44/20/351414420.db2.gz KCIVXZYGODCLAO-HTRCEHHLSA-N 1 1 140.230 0.346 10 0 ACAEMO C[C@@H]1CN[C@H](C2CC2)C[NH2+]1 23311888 351414714 /nfs/dbraw/zinc/41/47/14/351414714.db2.gz KCIVXZYGODCLAO-SVRRBLITSA-N 1 1 140.230 0.346 10 0 ACAEMO C[C@@H]1C[C@H]1[NH+]1CCNCC1 23919448 351415606 /nfs/dbraw/zinc/41/56/06/351415606.db2.gz YTMZAUQEBPMCRX-HTQZYQBOSA-N 1 1 140.230 0.300 10 0 ACAEMO C[C@@H]1C[C@@H]1[NH+]1CCNCC1 23919441 351416025 /nfs/dbraw/zinc/41/60/25/351416025.db2.gz YTMZAUQEBPMCRX-SFYZADRCSA-N 1 1 140.230 0.300 10 0 ACAEMO OC1[C@H]2CC[C@@H]1C[N@H+](C1CC1)C2 32629127 351429203 /nfs/dbraw/zinc/42/92/03/351429203.db2.gz RINHQGWTNHVFDT-JWHQNHQBSA-N 1 1 167.252 0.852 10 0 ACAEMO O[C@H]1C[N@H+](C2CCCCC2)C[C@H]1O 33794089 351432554 /nfs/dbraw/zinc/43/25/54/351432554.db2.gz NYQOPQVKWZZMBP-AOOOYVTPSA-N 1 1 185.267 0.357 10 0 ACAEMO CC(C)C[C@H]1C[NH2+]CC(=O)N1 34278573 351437981 /nfs/dbraw/zinc/43/79/81/351437981.db2.gz SAVCPAVRQLPSTB-ZETCQYMHSA-N 1 1 156.229 0.121 10 0 ACAEMO C[C@@H]1CC[C@H](CN)[N@H+]1C 34343619 351438681 /nfs/dbraw/zinc/43/86/81/351438681.db2.gz LEFDNIXZWZEKJG-RNFRBKRXSA-N 1 1 128.219 0.428 10 0 ACAEMO C[C@@H]1CC[C@@H](CN)[N@H+]1C 34343621 351439058 /nfs/dbraw/zinc/43/90/58/351439058.db2.gz LEFDNIXZWZEKJG-RQJHMYQMSA-N 1 1 128.219 0.428 10 0 ACAEMO C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 34451310 351440468 /nfs/dbraw/zinc/44/04/68/351440468.db2.gz MBYJOMPQWALMHC-SSDOTTSWSA-N 1 1 177.269 0.125 10 0 ACAEMO C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 34451310 351440470 /nfs/dbraw/zinc/44/04/70/351440470.db2.gz MBYJOMPQWALMHC-SSDOTTSWSA-N 1 1 177.269 0.125 10 0 ACAEMO O[C@@H]1CC[N@H+]2CCCC[C@H]12 34621647 351444409 /nfs/dbraw/zinc/44/44/09/351444409.db2.gz IATZHJGSCGLJSL-HTQZYQBOSA-N 1 1 141.214 0.606 10 0 ACAEMO CC(C)C[C@H]1CN(C)C(=O)C[NH2+]1 35270158 351449593 /nfs/dbraw/zinc/44/95/93/351449593.db2.gz UUCLKCBICYZVPW-QMMMGPOBSA-N 1 1 170.256 0.463 10 0 ACAEMO CC(C)C[C@@H]1CN(C)C(=O)C[NH2+]1 35270160 351449725 /nfs/dbraw/zinc/44/97/25/351449725.db2.gz UUCLKCBICYZVPW-MRVPVSSYSA-N 1 1 170.256 0.463 10 0 ACAEMO C[C@@H]1CCC[C@]([NH3+])(CN)C1 35676997 351451710 /nfs/dbraw/zinc/45/17/10/351451710.db2.gz ZEVKBNRUVQBVSF-HTQZYQBOSA-N 1 1 142.246 0.853 10 0 ACAEMO C[C@@H]1CCC[C@@]([NH3+])(CN)C1 35676999 351452218 /nfs/dbraw/zinc/45/22/18/351452218.db2.gz ZEVKBNRUVQBVSF-SFYZADRCSA-N 1 1 142.246 0.853 10 0 ACAEMO C[C@@H]1COCC[N@H+]1CCC(N)=S 35776160 351454483 /nfs/dbraw/zinc/45/44/83/351454483.db2.gz RUADVZWZLOEVST-SSDOTTSWSA-N 1 1 188.296 0.383 10 0 ACAEMO C[C@@H]1COCCN1[C@@H]1CCC[C@@H]1C[NH3+] 35774023 351454829 /nfs/dbraw/zinc/45/48/29/351454829.db2.gz NPDJAIVLKIXUFL-GMTAPVOTSA-N 1 1 198.310 0.835 10 0 ACAEMO c1ccc(CO[NH+]=C2NCCN2)cc1 36372726 351456801 /nfs/dbraw/zinc/45/68/01/351456801.db2.gz YKLQJGKYZVEROK-UHFFFAOYSA-N 1 1 191.234 0.667 10 0 ACAEMO CC(C)C[N@@H+](C)CCN 37099092 351462195 /nfs/dbraw/zinc/46/21/95/351462195.db2.gz AUQVZFGYXAFRBV-UHFFFAOYSA-N 1 1 130.235 0.533 10 0 ACAEMO CC(C)CN(C)CC[NH3+] 37099092 351462197 /nfs/dbraw/zinc/46/21/97/351462197.db2.gz AUQVZFGYXAFRBV-UHFFFAOYSA-N 1 1 130.235 0.533 10 0 ACAEMO CC(C)C[N@@H+](C)CC(N)=S 37108566 351462374 /nfs/dbraw/zinc/46/23/74/351462374.db2.gz IJWXFOYHMJUILA-UHFFFAOYSA-N 1 1 160.286 0.860 10 0 ACAEMO CC[C@@H](C)[C@@H](C[NH3+])N(C)C 37228035 351464150 /nfs/dbraw/zinc/46/41/50/351464150.db2.gz YEJSDFISOOOQGM-HTQZYQBOSA-N 1 1 144.262 0.921 10 0 ACAEMO CC(C)C[N@@H+]1CCC(=O)C1 37239992 351464167 /nfs/dbraw/zinc/46/41/67/351464167.db2.gz QDLDAKALCFTRDO-UHFFFAOYSA-N 1 1 141.214 0.917 10 0 ACAEMO CC(C)C[N@H+]1CCC(=O)C1 37239992 351464173 /nfs/dbraw/zinc/46/41/73/351464173.db2.gz QDLDAKALCFTRDO-UHFFFAOYSA-N 1 1 141.214 0.917 10 0 ACAEMO CC[C@@H](C)[C@H](C[NH3+])N(C)C 37228037 351464352 /nfs/dbraw/zinc/46/43/52/351464352.db2.gz YEJSDFISOOOQGM-SFYZADRCSA-N 1 1 144.262 0.921 10 0 ACAEMO C[C@@]([NH3+])(C(N)=O)c1ccccc1F 37460119 351468009 /nfs/dbraw/zinc/46/80/09/351468009.db2.gz MXUVLISEMRSOEC-VIFPVBQESA-N 1 1 182.198 0.485 10 0 ACAEMO O[C@H]1CCC[C@@H]1[N@H+]1CCCNCC1 37689484 351470596 /nfs/dbraw/zinc/47/05/96/351470596.db2.gz LLFAWNFRHCPMIU-UWVGGRQHSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@H]1CCC[C@H]1N1CCC[NH2+]CC1 37689485 351470569 /nfs/dbraw/zinc/47/05/69/351470569.db2.gz LLFAWNFRHCPMIU-ZJUUUORDSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@H]1CCC[C@H]1[N@@H+]1CCCNCC1 37689485 351470574 /nfs/dbraw/zinc/47/05/74/351470574.db2.gz LLFAWNFRHCPMIU-ZJUUUORDSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@H]1CCC[C@H]1[N@H+]1CCCNCC1 37689485 351470577 /nfs/dbraw/zinc/47/05/77/351470577.db2.gz LLFAWNFRHCPMIU-ZJUUUORDSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@H]1CCC[C@@H]1N1CCC[NH2+]CC1 37689484 351470588 /nfs/dbraw/zinc/47/05/88/351470588.db2.gz LLFAWNFRHCPMIU-UWVGGRQHSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@H]1CCC[C@@H]1[N@@H+]1CCCNCC1 37689484 351470593 /nfs/dbraw/zinc/47/05/93/351470593.db2.gz LLFAWNFRHCPMIU-UWVGGRQHSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@@H]1CCC[C@@H]1N1CCC[NH2+]CC1 37689482 351470706 /nfs/dbraw/zinc/47/07/06/351470706.db2.gz LLFAWNFRHCPMIU-VHSXEESVSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@@H]1CCC[C@@H]1[N@@H+]1CCCNCC1 37689482 351470709 /nfs/dbraw/zinc/47/07/09/351470709.db2.gz LLFAWNFRHCPMIU-VHSXEESVSA-N 1 1 184.283 0.195 10 0 ACAEMO O[C@@H]1CCC[C@@H]1[N@H+]1CCCNCC1 37689482 351470712 /nfs/dbraw/zinc/47/07/12/351470712.db2.gz LLFAWNFRHCPMIU-VHSXEESVSA-N 1 1 184.283 0.195 10 0 ACAEMO C[C@@H]1COCC[N@H+]1CC(C)(C)O 37694002 351471717 /nfs/dbraw/zinc/47/17/17/351471717.db2.gz WJBVJTVFQFZQAJ-MRVPVSSYSA-N 1 1 173.256 0.478 10 0 ACAEMO CC(C)(O)C[N@H+]1CCC[C@H](CO)C1 37694131 351471735 /nfs/dbraw/zinc/47/17/35/351471735.db2.gz MGBJQZJXMNFTOL-VIFPVBQESA-N 1 1 187.283 0.462 10 0 ACAEMO CC(C)(O)C[N@H+]1CCOC(C)(C)C1 37694142 351471778 /nfs/dbraw/zinc/47/17/78/351471778.db2.gz NOSHQFCYTJWFIQ-UHFFFAOYSA-N 1 1 187.283 0.868 10 0 ACAEMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCO1 37693712 351471940 /nfs/dbraw/zinc/47/19/40/351471940.db2.gz IYXNKHJJNVPXGJ-MRVPVSSYSA-N 1 1 173.256 0.478 10 0 ACAEMO CC(C)(O)C[N@H+]1CCC[C@@H](CO)C1 37694132 351471979 /nfs/dbraw/zinc/47/19/79/351471979.db2.gz MGBJQZJXMNFTOL-SECBINFHSA-N 1 1 187.283 0.462 10 0 ACAEMO OCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 37917763 351475568 /nfs/dbraw/zinc/47/55/68/351475568.db2.gz FWHQBHHKTBFXMC-MNOVXSKESA-N 1 1 198.310 0.443 10 0 ACAEMO OCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 37917765 351475362 /nfs/dbraw/zinc/47/53/62/351475362.db2.gz FWHQBHHKTBFXMC-QWRGUYRKSA-N 1 1 198.310 0.443 10 0 ACAEMO OCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 37917762 351475450 /nfs/dbraw/zinc/47/54/50/351475450.db2.gz FWHQBHHKTBFXMC-GHMZBOCLSA-N 1 1 198.310 0.443 10 0 ACAEMO C[C@@H]1CCC[N@H+]1[C@@H]1COCC[C@@H]1N 37910697 351476126 /nfs/dbraw/zinc/47/61/26/351476126.db2.gz COWPMBFIBPSYRL-KXUCPTDWSA-N 1 1 184.283 0.587 10 0 ACAEMO C[C@@H]1CCC[N@H+]1[C@@H](CN)[C@@H]1CCOC1 37910307 351475873 /nfs/dbraw/zinc/47/58/73/351475873.db2.gz NRSSCXDEPSAVLO-MXWKQRLJSA-N 1 1 198.310 0.835 10 0 ACAEMO C[C@@H]1CCC[N@H+]1CC(N)=S 37910839 351476101 /nfs/dbraw/zinc/47/61/01/351476101.db2.gz AOBQMJOBPDGGSN-ZCFIWIBFSA-N 1 1 158.270 0.757 10 0 ACAEMO C[C@@H]1CCC[N@@H+]1[C@@H]1COCC[C@@H]1N 37910697 351476124 /nfs/dbraw/zinc/47/61/24/351476124.db2.gz COWPMBFIBPSYRL-KXUCPTDWSA-N 1 1 184.283 0.587 10 0 ACAEMO CC[C@@H](C(=O)[O-])[N@H+]1CCC[NH2+]CC1 37959175 351476889 /nfs/dbraw/zinc/47/68/89/351476889.db2.gz AXJVIDCXZGGPHQ-QMMMGPOBSA-N 1 1 186.255 0.145 10 0 ACAEMO c1nnc(CNc2cc[nH+]cc2)[nH]1 37920141 351477474 /nfs/dbraw/zinc/47/74/74/351477474.db2.gz WVSRXLCKKXQAKM-UHFFFAOYSA-N 1 1 175.195 0.812 10 0 ACAEMO O[C@@H](c1cnc[nH]1)C1CC[NH2+]CC1 38325042 351480893 /nfs/dbraw/zinc/48/08/93/351480893.db2.gz LLVOMGKEVWXBGD-SECBINFHSA-N 1 1 181.239 0.443 10 0 ACAEMO O[C@H](c1cnc[nH]1)C1CC[NH2+]CC1 38325043 351481230 /nfs/dbraw/zinc/48/12/30/351481230.db2.gz LLVOMGKEVWXBGD-VIFPVBQESA-N 1 1 181.239 0.443 10 0 ACAEMO c1[nH]nnc1[C@@H]1CCC[NH2+]C1 38759703 351483020 /nfs/dbraw/zinc/48/30/20/351483020.db2.gz BGUHWFNSDXHNPX-ZCFIWIBFSA-N 1 1 152.201 0.272 10 0 ACAEMO c1nn[nH]c1[C@@H]1CCC[NH2+]C1 38759703 351483024 /nfs/dbraw/zinc/48/30/24/351483024.db2.gz BGUHWFNSDXHNPX-ZCFIWIBFSA-N 1 1 152.201 0.272 10 0 ACAEMO c1[nH]nnc1[C@H]1CCC[NH2+]C1 38759706 351483566 /nfs/dbraw/zinc/48/35/66/351483566.db2.gz BGUHWFNSDXHNPX-LURJTMIESA-N 1 1 152.201 0.272 10 0 ACAEMO c1nn[nH]c1[C@H]1CCC[NH2+]C1 38759706 351483571 /nfs/dbraw/zinc/48/35/71/351483571.db2.gz BGUHWFNSDXHNPX-LURJTMIESA-N 1 1 152.201 0.272 10 0 ACAEMO c1cn(-c2cc[nH+]cc2)nn1 38972938 351484225 /nfs/dbraw/zinc/48/42/25/351484225.db2.gz REJWOMWLZVYMPA-UHFFFAOYSA-N 1 1 146.153 0.662 10 0 ACAEMO C[C@@H]1CN1c1[nH+]cccc1N 39048378 351484935 /nfs/dbraw/zinc/48/49/35/351484935.db2.gz LVEIHKKXUMIDOA-TZRNXQDGSA-N 1 1 149.197 0.872 10 0 ACAEMO C[C@@H]1C[C@H](C(N)=O)CC[N@H+]1C 39065015 351487813 /nfs/dbraw/zinc/48/78/13/351487813.db2.gz YTWIPFTXSGLNMH-RNFRBKRXSA-N 1 1 156.229 0.202 10 0 ACAEMO c1nncn2c[nH+]cc12 39073456 351487866 /nfs/dbraw/zinc/48/78/66/351487866.db2.gz UAOOBKAGZAHSNJ-UHFFFAOYSA-N 1 1 120.115 0.124 10 0 ACAEMO C[N@@H+](CCN)C(C)(C)C 39077809 351488424 /nfs/dbraw/zinc/48/84/24/351488424.db2.gz KNDZRNGWKNYABY-UHFFFAOYSA-N 1 1 130.235 0.675 10 0 ACAEMO CN(CC[NH3+])C(C)(C)C 39077809 351488426 /nfs/dbraw/zinc/48/84/26/351488426.db2.gz KNDZRNGWKNYABY-UHFFFAOYSA-N 1 1 130.235 0.675 10 0 ACAEMO C[C@@H]1C[C@H]2NCCC[N@H+]2C1 39078756 351489562 /nfs/dbraw/zinc/48/95/62/351489562.db2.gz CCVHGGHXJTXKHQ-SFYZADRCSA-N 1 1 140.230 0.648 10 0 ACAEMO C[C@@H]1C[C@@H]2NCCC[N@H+]2C1 39078753 351489583 /nfs/dbraw/zinc/48/95/83/351489583.db2.gz CCVHGGHXJTXKHQ-HTQZYQBOSA-N 1 1 140.230 0.648 10 0 ACAEMO C[C@@H]1CC[N@H+]2CCC[C@@H]2N1 39078718 351489592 /nfs/dbraw/zinc/48/95/92/351489592.db2.gz RCRKGHYHNZTHQU-HTQZYQBOSA-N 1 1 140.230 0.790 10 0 ACAEMO C[C@@H]1CCN2CCC[C@@H]2[NH2+]1 39078718 351489595 /nfs/dbraw/zinc/48/95/95/351489595.db2.gz RCRKGHYHNZTHQU-HTQZYQBOSA-N 1 1 140.230 0.790 10 0 ACAEMO C[C@@H]1CCN[C@@H]2CCC[N@H+]21 39078689 351489618 /nfs/dbraw/zinc/48/96/18/351489618.db2.gz LFQUINRSGOZCDW-SFYZADRCSA-N 1 1 140.230 0.790 10 0 ACAEMO C[C@@H]1CCN[C@H]2CCC[N@@H+]12 39078685 351489634 /nfs/dbraw/zinc/48/96/34/351489634.db2.gz LFQUINRSGOZCDW-HTQZYQBOSA-N 1 1 140.230 0.790 10 0 ACAEMO CC(C)CC[C@@H]1C[NH2+]CCN1 39113562 351492299 /nfs/dbraw/zinc/49/22/99/351492299.db2.gz YVVBNQXXKRYEQR-SECBINFHSA-N 1 1 156.273 0.984 10 0 ACAEMO CC(C)C[C@H]1CNC(=O)C[NH2+]1 39113559 351492314 /nfs/dbraw/zinc/49/23/14/351492314.db2.gz AFBPLPMOIDXYMR-ZETCQYMHSA-N 1 1 156.229 0.121 10 0 ACAEMO c1ccn(CC[C@@H]2CNCC[NH2+]2)c1 39114164 351492443 /nfs/dbraw/zinc/49/24/43/351492443.db2.gz OPQLVFWNSXMSPV-SNVBAGLBSA-N 1 1 179.267 0.440 10 0 ACAEMO CC(C)C[C@@H]1C[NH2+]CC(=O)N1 39113560 351492391 /nfs/dbraw/zinc/49/23/91/351492391.db2.gz SAVCPAVRQLPSTB-SSDOTTSWSA-N 1 1 156.229 0.121 10 0 ACAEMO C[C@@H]1CCC[C@@H]2CNCC[N@@H+]12 39113468 351492449 /nfs/dbraw/zinc/49/24/49/351492449.db2.gz SVOHVSIDMNJXPH-RKDXNWHRSA-N 1 1 154.257 0.833 10 0 ACAEMO C[C@@H]1CCC[C@@H]2C[NH2+]CCN12 39113468 351492450 /nfs/dbraw/zinc/49/24/50/351492450.db2.gz SVOHVSIDMNJXPH-RKDXNWHRSA-N 1 1 154.257 0.833 10 0 ACAEMO C[C@@H]1CCC[C@H]2CNCC[N@H+]21 39113466 351492539 /nfs/dbraw/zinc/49/25/39/351492539.db2.gz SVOHVSIDMNJXPH-BDAKNGLRSA-N 1 1 154.257 0.833 10 0 ACAEMO C[C@@H]1CCC[C@H]2C[NH2+]CCN21 39113466 351492542 /nfs/dbraw/zinc/49/25/42/351492542.db2.gz SVOHVSIDMNJXPH-BDAKNGLRSA-N 1 1 154.257 0.833 10 0 ACAEMO CC(C)CC[C@H]1C[NH2+]CCN1 39113563 351492546 /nfs/dbraw/zinc/49/25/46/351492546.db2.gz YVVBNQXXKRYEQR-VIFPVBQESA-N 1 1 156.273 0.984 10 0 ACAEMO CC(C)C[C@H]1C[NH2+][C@H](C)CN1 39113554 351492668 /nfs/dbraw/zinc/49/26/68/351492668.db2.gz CFEUAONHKPSKAG-BDAKNGLRSA-N 1 1 156.273 0.982 10 0 ACAEMO CC[C@@H](C)N1CC[NH2+]CC1=O 39113536 351492675 /nfs/dbraw/zinc/49/26/75/351492675.db2.gz BGWOBZCZLXKLNY-SSDOTTSWSA-N 1 1 156.229 0.217 10 0 ACAEMO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1 39113552 351492691 /nfs/dbraw/zinc/49/26/91/351492691.db2.gz CFEUAONHKPSKAG-RKDXNWHRSA-N 1 1 156.273 0.982 10 0 ACAEMO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1 39113553 351492701 /nfs/dbraw/zinc/49/27/01/351492701.db2.gz CFEUAONHKPSKAG-DTWKUNHWSA-N 1 1 156.273 0.982 10 0 ACAEMO c1ccn(CC[C@H]2CNCC[NH2+]2)c1 39114165 351492789 /nfs/dbraw/zinc/49/27/89/351492789.db2.gz OPQLVFWNSXMSPV-JTQLQIEISA-N 1 1 179.267 0.440 10 0 ACAEMO CC(C)CCN1CC[NH2+]CC1=O 39113799 351492798 /nfs/dbraw/zinc/49/27/98/351492798.db2.gz KJELJSDXCNJMTR-UHFFFAOYSA-N 1 1 170.256 0.464 10 0 ACAEMO C[C@@H]1CN(C)CC[N@H+]1CCCO 39113847 351492818 /nfs/dbraw/zinc/49/28/18/351492818.db2.gz PZLAWOKUXXHMHH-SECBINFHSA-N 1 1 172.272 0.005 10 0 ACAEMO C[C@@H]1C[N@H+](C)CCN1CCCO 39113847 351492820 /nfs/dbraw/zinc/49/28/20/351492820.db2.gz PZLAWOKUXXHMHH-SECBINFHSA-N 1 1 172.272 0.005 10 0 ACAEMO C[C@@H]1C[N@@H+](C)CCN1CCCO 39113847 351492824 /nfs/dbraw/zinc/49/28/24/351492824.db2.gz PZLAWOKUXXHMHH-SECBINFHSA-N 1 1 172.272 0.005 10 0 ACAEMO OC1CCC([NH+]2CCNCC2)CC1 39114491 351493421 /nfs/dbraw/zinc/49/34/21/351493421.db2.gz XXJFHDNRNBKUIC-UHFFFAOYSA-N 1 1 184.283 0.195 10 0 ACAEMO OC[C@@H]1C[N@H+](C2CCCC2)CCO1 39114501 351493553 /nfs/dbraw/zinc/49/35/53/351493553.db2.gz KTEJZOAZQIRGGT-JTQLQIEISA-N 1 1 185.267 0.622 10 0 ACAEMO c1ccc(C[N@H+]2C[C@@H]3N[C@@H]3C2)cc1 39114534 351493628 /nfs/dbraw/zinc/49/36/28/351493628.db2.gz ULXQPXMCODDEEP-PHIMTYICSA-N 1 1 174.247 0.843 10 0 ACAEMO c1ccc(C[N@@H+]2C[C@@H]3N[C@@H]3C2)cc1 39114534 351493632 /nfs/dbraw/zinc/49/36/32/351493632.db2.gz ULXQPXMCODDEEP-PHIMTYICSA-N 1 1 174.247 0.843 10 0 ACAEMO OC[C@H]1C[N@H+](C2CCCC2)CCO1 39114502 351493885 /nfs/dbraw/zinc/49/38/85/351493885.db2.gz KTEJZOAZQIRGGT-SNVBAGLBSA-N 1 1 185.267 0.622 10 0 ACAEMO CCOc1n[nH+]cc(N)c1N 39135214 351496043 /nfs/dbraw/zinc/49/60/43/351496043.db2.gz UWJOZAIXCFFKEW-UHFFFAOYSA-N 1 1 154.173 0.040 10 0 ACAEMO C[C@@H]1C[C@H]1N1CCC[NH2+]CC1 52298919 351568099 /nfs/dbraw/zinc/56/80/99/351568099.db2.gz QZJGOPAUEPAYOX-RKDXNWHRSA-N 1 1 154.257 0.690 10 0 ACAEMO O[C@H](Cc1[nH]cc[nH+]1)[C@H]1CCCO1 40261358 351505450 /nfs/dbraw/zinc/50/54/50/351505450.db2.gz GVHFIDVPGMHPSB-HTQZYQBOSA-N 1 1 182.223 0.492 10 0 ACAEMO O[C@@H](Cc1[nH]cc[nH+]1)C1CC1 40261375 351505486 /nfs/dbraw/zinc/50/54/86/351505486.db2.gz ATJSSNMBQQMIQX-ZETCQYMHSA-N 1 1 152.197 0.723 10 0 ACAEMO O[C@@H](Cc1[nH]cc[nH+]1)C(F)(F)F 40261325 351505491 /nfs/dbraw/zinc/50/54/91/351505491.db2.gz QYYPXJFJTDABSN-BYPYZUCNSA-N 1 1 180.129 0.875 10 0 ACAEMO O[C@H](Cc1[nH]cc[nH+]1)C(F)(F)F 40261326 351505626 /nfs/dbraw/zinc/50/56/26/351505626.db2.gz QYYPXJFJTDABSN-SCSAIBSYSA-N 1 1 180.129 0.875 10 0 ACAEMO O[C@@H](Cc1[nH]cc[nH+]1)[C@H]1CCCO1 40261357 351505679 /nfs/dbraw/zinc/50/56/79/351505679.db2.gz GVHFIDVPGMHPSB-JGVFFNPUSA-N 1 1 182.223 0.492 10 0 ACAEMO O[C@H](Cc1[nH]cc[nH+]1)C1CC1 40261376 351505717 /nfs/dbraw/zinc/50/57/17/351505717.db2.gz ATJSSNMBQQMIQX-SSDOTTSWSA-N 1 1 152.197 0.723 10 0 ACAEMO CC[C@@H](C)OC(=O)[C@H](C)[NH3+] 40396631 351506439 /nfs/dbraw/zinc/50/64/39/351506439.db2.gz FMESLAHRVPLGSJ-RITPCOANSA-N 1 1 145.202 0.675 10 0 ACAEMO CC[C@@H](C)[C@H](N)C[NH2+]C 40409063 351506766 /nfs/dbraw/zinc/50/67/66/351506766.db2.gz BVWYEZKLWPQVQX-RNFRBKRXSA-N 1 1 130.235 0.579 10 0 ACAEMO CC[C@@H](C)[C@@H](N)C[NH2+]C 40409069 351506824 /nfs/dbraw/zinc/50/68/24/351506824.db2.gz BVWYEZKLWPQVQX-RQJHMYQMSA-N 1 1 130.235 0.579 10 0 ACAEMO c1noc(C[NH2+]C2CC2)n1 40454126 351508130 /nfs/dbraw/zinc/50/81/30/351508130.db2.gz ZCGNELJOPHYLND-UHFFFAOYSA-N 1 1 139.158 0.322 10 0 ACAEMO OC[C@H](C1CC1)[N@H+]1CCC[NH2+]CC1 41047704 351514691 /nfs/dbraw/zinc/51/46/91/351514691.db2.gz NIFKXPLQTJGSIC-SNVBAGLBSA-N 1 1 184.283 0.053 10 0 ACAEMO OC[C@H](C1CC1)N1CCC[NH2+]CC1 41047704 351514695 /nfs/dbraw/zinc/51/46/95/351514695.db2.gz NIFKXPLQTJGSIC-SNVBAGLBSA-N 1 1 184.283 0.053 10 0 ACAEMO OC[C@H](C1CC1)[N@@H+]1CCCNCC1 41047704 351514699 /nfs/dbraw/zinc/51/46/99/351514699.db2.gz NIFKXPLQTJGSIC-SNVBAGLBSA-N 1 1 184.283 0.053 10 0 ACAEMO OC[C@H](C1CC1)[N@H+]1CCCNCC1 41047704 351514702 /nfs/dbraw/zinc/51/47/02/351514702.db2.gz NIFKXPLQTJGSIC-SNVBAGLBSA-N 1 1 184.283 0.053 10 0 ACAEMO CC(C)C[NH2+]Cc1c[nH]nn1 41050765 351514951 /nfs/dbraw/zinc/51/49/51/351514951.db2.gz OVYJFLKSSYXZOT-UHFFFAOYSA-N 1 1 154.217 0.550 10 0 ACAEMO CC(C)C[NH2+]Cc1cn[nH]n1 41050765 351514952 /nfs/dbraw/zinc/51/49/52/351514952.db2.gz OVYJFLKSSYXZOT-UHFFFAOYSA-N 1 1 154.217 0.550 10 0 ACAEMO c1coc(CNCc2c[nH]nn2)c1 41050772 351514923 /nfs/dbraw/zinc/51/49/23/351514923.db2.gz JXQRWXLMYSGJSF-UHFFFAOYSA-N 1 1 178.195 0.688 10 0 ACAEMO C[C@@H]([C@@H](C)N)[N@@H+](C)C1CCOCC1 41053865 351515975 /nfs/dbraw/zinc/51/59/75/351515975.db2.gz RMEMWGFHODQKEG-BDAKNGLRSA-N 1 1 186.299 0.833 10 0 ACAEMO C[C@@H]([C@@H](C)[NH3+])N(C)C1CCOCC1 41053865 351515977 /nfs/dbraw/zinc/51/59/77/351515977.db2.gz RMEMWGFHODQKEG-BDAKNGLRSA-N 1 1 186.299 0.833 10 0 ACAEMO C[C@@H]([C@@H](C)N)[NH+]1CCCC1 41053708 351515991 /nfs/dbraw/zinc/51/59/91/351515991.db2.gz SRJIJFIZWNNBKA-SFYZADRCSA-N 1 1 142.246 0.818 10 0 ACAEMO CC(C)C[C@@H]([NH3+])c1nc[nH]n1 42041015 351519678 /nfs/dbraw/zinc/51/96/78/351519678.db2.gz HVAJZUSCYHWLMM-ZCFIWIBFSA-N 1 1 154.217 0.851 10 0 ACAEMO c1nc(C[C@H]2CCC[NH2+]2)n[nH]1 42164386 351519701 /nfs/dbraw/zinc/51/97/01/351519701.db2.gz XNKCMRAFLVVINQ-ZCFIWIBFSA-N 1 1 152.201 0.099 10 0 ACAEMO CC[C@@H](C)[C@@H]([NH3+])c1nc[nH]n1 42040939 351519801 /nfs/dbraw/zinc/51/98/01/351519801.db2.gz ZLINSVJDFNUCQV-PHDIDXHHSA-N 1 1 154.217 0.851 10 0 ACAEMO CC(C)C[C@H]([NH3+])c1nc[nH]n1 42041012 351520076 /nfs/dbraw/zinc/52/00/76/351520076.db2.gz HVAJZUSCYHWLMM-LURJTMIESA-N 1 1 154.217 0.851 10 0 ACAEMO CC[C@@H](C)[C@H]([NH3+])c1nc[nH]n1 42040933 351520216 /nfs/dbraw/zinc/52/02/16/351520216.db2.gz ZLINSVJDFNUCQV-RITPCOANSA-N 1 1 154.217 0.851 10 0 ACAEMO CC(C)([NH3+])CN1CCN(C2CC2)CC1 42491231 351522095 /nfs/dbraw/zinc/52/20/95/351522095.db2.gz AQDOHSUGQUPGSJ-UHFFFAOYSA-N 1 1 197.326 0.504 10 0 ACAEMO CC(C)(O)C[N@H+]1CCC[C@H](O)C1 42469879 351522143 /nfs/dbraw/zinc/52/21/43/351522143.db2.gz LYVCAKRDGVZWCV-QMMMGPOBSA-N 1 1 173.256 0.214 10 0 ACAEMO CC(C)(O)C[N@H+]1CCOCC1(C)C 42462748 351522178 /nfs/dbraw/zinc/52/21/78/351522178.db2.gz WCHQPKRQKPGRNF-UHFFFAOYSA-N 1 1 187.283 0.868 10 0 ACAEMO C[C@@H]([C@@H](C)[NH3+])N1CCN(C2CC2)CC1 42490178 351522542 /nfs/dbraw/zinc/52/25/42/351522542.db2.gz UIVWYBDXRXMGBL-ZJUUUORDSA-N 1 1 197.326 0.502 10 0 ACAEMO OCCC[N@H+]1CCCSCC1 42444404 351522633 /nfs/dbraw/zinc/52/26/33/351522633.db2.gz BBPKBFDYFAIIMI-UHFFFAOYSA-N 1 1 175.297 0.808 10 0 ACAEMO CC(C)(O)C[N@H+]1CCC[C@@H](O)C1 42469882 351522705 /nfs/dbraw/zinc/52/27/05/351522705.db2.gz LYVCAKRDGVZWCV-MRVPVSSYSA-N 1 1 173.256 0.214 10 0 ACAEMO OCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 43426785 351527105 /nfs/dbraw/zinc/52/71/05/351527105.db2.gz GYNUOWUAZFHRGZ-UWVGGRQHSA-N 1 1 185.267 0.622 10 0 ACAEMO OCC[N@H+]1CCO[C@H]2CCCC[C@H]21 43426783 351527134 /nfs/dbraw/zinc/52/71/34/351527134.db2.gz GYNUOWUAZFHRGZ-ZJUUUORDSA-N 1 1 185.267 0.622 10 0 ACAEMO OCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 43426784 351527918 /nfs/dbraw/zinc/52/79/18/351527918.db2.gz GYNUOWUAZFHRGZ-VHSXEESVSA-N 1 1 185.267 0.622 10 0 ACAEMO OCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 43426782 351527924 /nfs/dbraw/zinc/52/79/24/351527924.db2.gz GYNUOWUAZFHRGZ-NXEZZACHSA-N 1 1 185.267 0.622 10 0 ACAEMO Cc1nnc(SC[C@H]2CCC[NH2+]2)[nH]1 43497582 351528757 /nfs/dbraw/zinc/52/87/57/351528757.db2.gz VTDVQKYWWFRGET-SSDOTTSWSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1n[nH]c(SC[C@H]2CCC[NH2+]2)n1 43497582 351528760 /nfs/dbraw/zinc/52/87/60/351528760.db2.gz VTDVQKYWWFRGET-SSDOTTSWSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1nnc(SC[C@@H]2CCC[NH2+]2)[nH]1 43497579 351528897 /nfs/dbraw/zinc/52/88/97/351528897.db2.gz VTDVQKYWWFRGET-ZETCQYMHSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1n[nH]c(SC[C@@H]2CCC[NH2+]2)n1 43497579 351528899 /nfs/dbraw/zinc/52/88/99/351528899.db2.gz VTDVQKYWWFRGET-ZETCQYMHSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1nnc(SC2CC[NH2+]CC2)[nH]1 43501311 351529599 /nfs/dbraw/zinc/52/95/99/351529599.db2.gz JAGFGMUOQWQKSL-UHFFFAOYSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1n[nH]c(SC2CC[NH2+]CC2)n1 43501311 351529603 /nfs/dbraw/zinc/52/96/03/351529603.db2.gz JAGFGMUOQWQKSL-UHFFFAOYSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1nnc(S[C@H]2CCC[NH2+]C2)[nH]1 43501762 351529695 /nfs/dbraw/zinc/52/96/95/351529695.db2.gz JLWMHRMZLQDJDV-ZETCQYMHSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1n[nH]c(S[C@H]2CCC[NH2+]C2)n1 43501762 351529699 /nfs/dbraw/zinc/52/96/99/351529699.db2.gz JLWMHRMZLQDJDV-ZETCQYMHSA-N 1 1 198.295 0.957 10 0 ACAEMO Cc1nnc(S[C@@H]2CCC[NH2+]C2)[nH]1 43501761 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0.453 10 0 ACAEMO CC[N@H+]1CCn2nncc2C1 653794722 409377890 /nfs/dbraw/zinc/37/78/90/409377890.db2.gz SKGYCTJYJAHMLY-UHFFFAOYSA-N 1 1 152.201 0.114 10 0 ACAEMO c1nnn2c1C[N@@H+](CCC1CC1)CC2 653793563 409378072 /nfs/dbraw/zinc/37/80/72/409378072.db2.gz LJVTTYSEALPSJX-UHFFFAOYSA-N 1 1 192.266 0.894 10 0 ACAEMO c1nnn2c1C[N@@H+](CC1CCC1)CC2 653793457 409378223 /nfs/dbraw/zinc/37/82/23/409378223.db2.gz VXBDBFJHJYFMHZ-UHFFFAOYSA-N 1 1 192.266 0.894 10 0 ACAEMO CC[C@H](C)[N@H+]1CCn2nncc2C1 653793579 409378396 /nfs/dbraw/zinc/37/83/96/409378396.db2.gz PHMHZTUQFNZOOG-QMMMGPOBSA-N 1 1 180.255 0.892 10 0 ACAEMO CC[C@@H](C)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 653829701 409380331 /nfs/dbraw/zinc/38/03/31/409380331.db2.gz SUSXYBUSTPOMBP-OUAUKWLOSA-N 1 1 198.310 0.536 10 0 ACAEMO CC[C@@H](C)[N@@H+]1CCN2C[C@H](O)C[C@H]2C1 653829701 409380335 /nfs/dbraw/zinc/38/03/35/409380335.db2.gz SUSXYBUSTPOMBP-OUAUKWLOSA-N 1 1 198.310 0.536 10 0 ACAEMO CC[C@@H](C)[N@H+]1CCN2C[C@H](O)C[C@H]2C1 653829701 409380341 /nfs/dbraw/zinc/38/03/41/409380341.db2.gz SUSXYBUSTPOMBP-OUAUKWLOSA-N 1 1 198.310 0.536 10 0 ACAEMO CC(=O)C[N@H+]1CCC[C@@H]1CCCO 52761462 409384243 /nfs/dbraw/zinc/38/42/43/409384243.db2.gz RKCGLIJASLMMDG-SNVBAGLBSA-N 1 1 185.267 0.812 10 0 ACAEMO CC(=O)C[N@H+]1CCC[C@H]1CCCO 52761463 409384443 /nfs/dbraw/zinc/38/44/43/409384443.db2.gz RKCGLIJASLMMDG-JTQLQIEISA-N 1 1 185.267 0.812 10 0 ACAEMO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN1CCCC1 52278458 409385086 /nfs/dbraw/zinc/38/50/86/409385086.db2.gz YFRMFDATFLWCLT-OUAUKWLOSA-N 1 1 198.310 0.441 10 0 ACAEMO C[C@H](NCC[NH3+])[C@H]1CCCO1 53380499 409387441 /nfs/dbraw/zinc/38/74/41/409387441.db2.gz WESTWMCTQBGQEI-JGVFFNPUSA-N 1 1 158.245 0.102 10 0 ACAEMO C[C@H](NCC[NH3+])[C@@H]1CCCO1 53380493 409388428 /nfs/dbraw/zinc/38/84/28/409388428.db2.gz WESTWMCTQBGQEI-YUMQZZPRSA-N 1 1 158.245 0.102 10 0 ACAEMO CC1(C)C[NH+](CC(=O)N2CCC2)C1 654406007 409391439 /nfs/dbraw/zinc/39/14/39/409391439.db2.gz IGLLPUVPCCQOTK-UHFFFAOYSA-N 1 1 182.267 0.561 10 0 ACAEMO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]2C)C1 654701645 409393657 /nfs/dbraw/zinc/39/36/57/409393657.db2.gz IPQCFTGFEDNGKU-OPRDCNLKSA-N 1 1 196.294 0.853 10 0 ACAEMO C[C@@H]1C[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 654702059 409393834 /nfs/dbraw/zinc/39/38/34/409393834.db2.gz VFSXWDXNEOSHIU-RKDXNWHRSA-N 1 1 196.294 0.853 10 0 ACAEMO C[C@H]1CC[N@@H+](CC(=O)NC2CCC2)C1 654758356 409395331 /nfs/dbraw/zinc/39/53/31/409395331.db2.gz WJTSURQOOPJBQO-VIFPVBQESA-N 1 1 196.294 0.997 10 0 ACAEMO C[C@@H]1CC[N@@H+](CC(=O)NC2CCC2)C1 654758355 409395584 /nfs/dbraw/zinc/39/55/84/409395584.db2.gz WJTSURQOOPJBQO-SECBINFHSA-N 1 1 196.294 0.997 10 0 ACAEMO CC1(C)C[NH+](CC(=O)NC2CCC2)C1 654758134 409395685 /nfs/dbraw/zinc/39/56/85/409395685.db2.gz QIXPCJHWWHQTQG-UHFFFAOYSA-N 1 1 196.294 0.997 10 0 ACAEMO CC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 655033155 409399626 /nfs/dbraw/zinc/39/96/26/409399626.db2.gz MZCJYOZBXYGAGV-SECBINFHSA-N 1 1 196.294 0.807 10 0 ACAEMO CC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 655033156 409399816 /nfs/dbraw/zinc/39/98/16/409399816.db2.gz MZCJYOZBXYGAGV-VIFPVBQESA-N 1 1 196.294 0.807 10 0 ACAEMO CC1CN(C(=O)C[NH+]2CC(C)(C)C2)C1 655033088 409400163 /nfs/dbraw/zinc/40/01/63/409400163.db2.gz GIERGLALDNATJG-UHFFFAOYSA-N 1 1 196.294 0.807 10 0 ACAEMO CN1CCN(C[C@]2(C)CC[NH2+]C2)CC1 62910739 409400911 /nfs/dbraw/zinc/40/09/11/409400911.db2.gz UKULRIPMVNHCPV-LLVKDONJSA-N 1 1 197.326 0.233 10 0 ACAEMO C[C@@H]1CC[N@@H+](CC(=O)NCCF)C1 655049131 409401618 /nfs/dbraw/zinc/40/16/18/409401618.db2.gz LOEHVKQQGXCYNA-MRVPVSSYSA-N 1 1 188.246 0.414 10 0 ACAEMO C[C@H]1CC[N@@H+](CC(=O)NCCF)C1 655049132 409401704 /nfs/dbraw/zinc/40/17/04/409401704.db2.gz LOEHVKQQGXCYNA-QMMMGPOBSA-N 1 1 188.246 0.414 10 0 ACAEMO CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 62910738 409402069 /nfs/dbraw/zinc/40/20/69/409402069.db2.gz UKULRIPMVNHCPV-NSHDSACASA-N 1 1 197.326 0.233 10 0 ACAEMO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]2C)C1 655066458 409403561 /nfs/dbraw/zinc/40/35/61/409403561.db2.gz IPQCFTGFEDNGKU-IVZWLZJFSA-N 1 1 196.294 0.853 10 0 ACAEMO CN(C)[C@H]1CC[N@@H+](CCCCO)C1 62967301 409403687 /nfs/dbraw/zinc/40/36/87/409403687.db2.gz GCPLVQFLPUFNMN-JTQLQIEISA-N 1 1 186.299 0.395 10 0 ACAEMO C[NH+](C)[C@H]1CCN(CCCCO)C1 62967301 409403691 /nfs/dbraw/zinc/40/36/91/409403691.db2.gz GCPLVQFLPUFNMN-JTQLQIEISA-N 1 1 186.299 0.395 10 0 ACAEMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C)C1 62967308 409403902 /nfs/dbraw/zinc/40/39/02/409403902.db2.gz ISARZQARKMAEPY-IUCAKERBSA-N 1 1 172.272 0.003 10 0 ACAEMO C[C@H](O)CN1CC[C@H]([NH+](C)C)C1 62967308 409403906 /nfs/dbraw/zinc/40/39/06/409403906.db2.gz ISARZQARKMAEPY-IUCAKERBSA-N 1 1 172.272 0.003 10 0 ACAEMO CN(C)[C@@H]1CC[N@@H+](CCCO)C1 62967304 409403990 /nfs/dbraw/zinc/40/39/90/409403990.db2.gz ZXCROEOEDLMHQJ-SECBINFHSA-N 1 1 172.272 0.005 10 0 ACAEMO C[NH+](C)[C@@H]1CCN(CCCO)C1 62967304 409403994 /nfs/dbraw/zinc/40/39/94/409403994.db2.gz ZXCROEOEDLMHQJ-SECBINFHSA-N 1 1 172.272 0.005 10 0 ACAEMO COCCN(C)C[C@]1(C)CC[NH2+]C1 62911646 409404069 /nfs/dbraw/zinc/40/40/69/409404069.db2.gz WYSXGTXLYVTYJL-SNVBAGLBSA-N 1 1 186.299 0.564 10 0 ACAEMO C[C@@H](O)CC[N@H+]1CC[C@H](N(C)C)C1 62968054 409404137 /nfs/dbraw/zinc/40/41/37/409404137.db2.gz PUPKBEUPQQGNBQ-ZJUUUORDSA-N 1 1 186.299 0.393 10 0 ACAEMO C[C@@H](O)CCN1CC[C@H]([NH+](C)C)C1 62968054 409404143 /nfs/dbraw/zinc/40/41/43/409404143.db2.gz PUPKBEUPQQGNBQ-ZJUUUORDSA-N 1 1 186.299 0.393 10 0 ACAEMO CC[C@@H](O)C[N@H+]1CC[C@H](N(C)C)C1 62967315 409404161 /nfs/dbraw/zinc/40/41/61/409404161.db2.gz BWYHISJHBNBVML-VHSXEESVSA-N 1 1 186.299 0.393 10 0 ACAEMO CC[C@@H](O)CN1CC[C@H]([NH+](C)C)C1 62967315 409404168 /nfs/dbraw/zinc/40/41/68/409404168.db2.gz BWYHISJHBNBVML-VHSXEESVSA-N 1 1 186.299 0.393 10 0 ACAEMO C[C@H](O)CC[N@H+]1CC[C@H](N(C)C)C1 62968053 409404199 /nfs/dbraw/zinc/40/41/99/409404199.db2.gz PUPKBEUPQQGNBQ-UWVGGRQHSA-N 1 1 186.299 0.393 10 0 ACAEMO C[C@H](O)CCN1CC[C@H]([NH+](C)C)C1 62968053 409404202 /nfs/dbraw/zinc/40/42/02/409404202.db2.gz PUPKBEUPQQGNBQ-UWVGGRQHSA-N 1 1 186.299 0.393 10 0 ACAEMO CN(C)[C@H]1CC[N@@H+](CCCO)C1 62967305 409404374 /nfs/dbraw/zinc/40/43/74/409404374.db2.gz ZXCROEOEDLMHQJ-VIFPVBQESA-N 1 1 172.272 0.005 10 0 ACAEMO C[NH+](C)[C@H]1CCN(CCCO)C1 62967305 409404376 /nfs/dbraw/zinc/40/43/76/409404376.db2.gz ZXCROEOEDLMHQJ-VIFPVBQESA-N 1 1 172.272 0.005 10 0 ACAEMO COCCN(C)C[C@@]1(C)CC[NH2+]C1 62911645 409404909 /nfs/dbraw/zinc/40/49/09/409404909.db2.gz WYSXGTXLYVTYJL-JTQLQIEISA-N 1 1 186.299 0.564 10 0 ACAEMO CN(C)[C@@H]1CC[N@@H+](CCCCO)C1 62967300 409405039 /nfs/dbraw/zinc/40/50/39/409405039.db2.gz GCPLVQFLPUFNMN-SNVBAGLBSA-N 1 1 186.299 0.395 10 0 ACAEMO C[NH+](C)[C@@H]1CCN(CCCCO)C1 62967300 409405040 /nfs/dbraw/zinc/40/50/40/409405040.db2.gz GCPLVQFLPUFNMN-SNVBAGLBSA-N 1 1 186.299 0.395 10 0 ACAEMO CC[C@H](O)C[N@H+]1CC[C@H](N(C)C)C1 62967314 409405086 /nfs/dbraw/zinc/40/50/86/409405086.db2.gz BWYHISJHBNBVML-UWVGGRQHSA-N 1 1 186.299 0.393 10 0 ACAEMO CC[C@H](O)CN1CC[C@H]([NH+](C)C)C1 62967314 409405089 /nfs/dbraw/zinc/40/50/89/409405089.db2.gz BWYHISJHBNBVML-UWVGGRQHSA-N 1 1 186.299 0.393 10 0 ACAEMO CC(C)[N@@H+](CCCO)[C@H]1CCOC1 69624723 409409353 /nfs/dbraw/zinc/40/93/53/409409353.db2.gz GFLUTRDQIIUOCM-JTQLQIEISA-N 1 1 187.283 0.868 10 0 ACAEMO CC(C)[N@@H+](CCCO)[C@@H]1CCOC1 69624721 409409911 /nfs/dbraw/zinc/40/99/11/409409911.db2.gz GFLUTRDQIIUOCM-SNVBAGLBSA-N 1 1 187.283 0.868 10 0 ACAEMO CC(C)[NH2+]Cc1nnn(C(C)(C)C)n1 655813609 409417709 /nfs/dbraw/zinc/41/77/09/409417709.db2.gz DWMBBISHLQVWHH-UHFFFAOYSA-N 1 1 197.286 0.926 10 0 ACAEMO COCC1(C[NH2+]Cc2ccn[nH]2)CC1 655836294 409418467 /nfs/dbraw/zinc/41/84/67/409418467.db2.gz HKNBPTVVSHMEOL-UHFFFAOYSA-N 1 1 195.266 0.926 10 0 ACAEMO COCC[N@@H+]1CC2CCC1(CN)CC2 655943919 409419835 /nfs/dbraw/zinc/41/98/35/409419835.db2.gz NXYCFMTUKLSGCC-UHFFFAOYSA-N 1 1 198.310 0.836 10 0 ACAEMO COCC[N@H+]1CC2CCC1(CN)CC2 655943919 409419839 /nfs/dbraw/zinc/41/98/39/409419839.db2.gz NXYCFMTUKLSGCC-UHFFFAOYSA-N 1 1 198.310 0.836 10 0 ACAEMO COCC1(C[NH2+][C@@H]2CCC[C@H]2N)CC1 656201827 409424884 /nfs/dbraw/zinc/42/48/84/409424884.db2.gz ZVYVDIONLNCNBF-NXEZZACHSA-N 1 1 198.310 0.882 10 0 ACAEMO COCC1(C[NH2+][C@H]2CCC[C@@H]2N)CC1 656201828 409424995 /nfs/dbraw/zinc/42/49/95/409424995.db2.gz ZVYVDIONLNCNBF-UWVGGRQHSA-N 1 1 198.310 0.882 10 0 ACAEMO COCC1(C[NH2+][C@H]2CCC[C@H]2N)CC1 656201830 409425207 /nfs/dbraw/zinc/42/52/07/409425207.db2.gz ZVYVDIONLNCNBF-ZJUUUORDSA-N 1 1 198.310 0.882 10 0 ACAEMO COCC1(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 656201829 409425458 /nfs/dbraw/zinc/42/54/58/409425458.db2.gz ZVYVDIONLNCNBF-VHSXEESVSA-N 1 1 198.310 0.882 10 0 ACAEMO FC1(C[N@@H+]2CCn3nncc3C2)CC1 656267841 409426989 /nfs/dbraw/zinc/42/69/89/409426989.db2.gz LHQBFXVDBGGURZ-UHFFFAOYSA-N 1 1 196.229 0.596 10 0 ACAEMO C[C@H]1C[C@@H]1C[N@H+]1CCn2nncc2C1 656268040 409426220 /nfs/dbraw/zinc/42/62/20/409426220.db2.gz ULZXBEVYJUTWKG-DTWKUNHWSA-N 1 1 192.266 0.750 10 0 ACAEMO C[C@@H]1C[C@H]1C[N@H+]1CCn2nncc2C1 656268039 409426426 /nfs/dbraw/zinc/42/64/26/409426426.db2.gz ULZXBEVYJUTWKG-BDAKNGLRSA-N 1 1 192.266 0.750 10 0 ACAEMO FC1(C[N@H+]2CCn3nncc3C2)CC1 656267841 409426993 /nfs/dbraw/zinc/42/69/93/409426993.db2.gz LHQBFXVDBGGURZ-UHFFFAOYSA-N 1 1 196.229 0.596 10 0 ACAEMO C[C@H]1C[C@H]1C[N@H+]1CCn2nncc2C1 656268041 409427487 /nfs/dbraw/zinc/42/74/87/409427487.db2.gz ULZXBEVYJUTWKG-IUCAKERBSA-N 1 1 192.266 0.750 10 0 ACAEMO C[C@@H]1C[C@@H]1C[N@H+]1CCn2nncc2C1 656268042 409427946 /nfs/dbraw/zinc/42/79/46/409427946.db2.gz ULZXBEVYJUTWKG-RKDXNWHRSA-N 1 1 192.266 0.750 10 0 ACAEMO C[C@@H](O)CC[N@@H+](C)C[C@@H](O)C1CC1 656447484 409430893 /nfs/dbraw/zinc/43/08/93/409430893.db2.gz ZWDHAHHCVYAKIX-PSASIEDQSA-N 1 1 187.283 0.460 10 0 ACAEMO C[C@H](O)C[N@H+]1[C@@H](C)COC[C@H]1C 656447856 409431090 /nfs/dbraw/zinc/43/10/90/409431090.db2.gz DYWQWAHKMPRQBF-YIZRAAEISA-N 1 1 173.256 0.476 10 0 ACAEMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C2CC2)C1 656441899 409431146 /nfs/dbraw/zinc/43/11/46/409431146.db2.gz 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