smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=N[N+]#N)C(C)C 238309251 573221001 /nfs/dbraw/zinc/22/10/01/573221001.db2.gz MTLNGCVLNMPDMA-UHFFFAOYSA-N 1 0 141.174 2.585 10 10 AFCERO C[NH2+][C@H](C)c1cc(C)c(Cl)cc1O 238329906 573273206 /nfs/dbraw/zinc/27/32/06/573273206.db2.gz MYRGVYOFBQKEFQ-SSDOTTSWSA-N 1 0 199.681 2.634 10 10 AFCERO C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1O 238424510 573519023 /nfs/dbraw/zinc/51/90/23/573519023.db2.gz WKWAELMKMCZPRK-QMMMGPOBSA-N 1 0 193.290 2.709 10 10 AFCERO CC(C)c1ccc(O)c(C(C)(C)[NH3+])c1 258072848 573636121 /nfs/dbraw/zinc/63/61/21/573636121.db2.gz MLDPVPWHYRCMMF-UHFFFAOYSA-N 1 0 193.290 2.709 10 10 AFCERO CC1(C)CC[C@H](c2ccccc2O)[NH2+]1 258082453 573658337 /nfs/dbraw/zinc/65/83/37/573658337.db2.gz VXDIDUMQLHPAMH-SNVBAGLBSA-N 1 0 191.274 2.595 10 10 AFCERO Oc1ccccc1[C@@H]1CCCCC[NH2+]1 75868599 573720842 /nfs/dbraw/zinc/72/08/42/573720842.db2.gz OQQWTNGZSILWAJ-NSHDSACASA-N 1 0 191.274 2.597 10 10 AFCERO Cc1cccc(O)c1[C@H]1CCCC[NH2+]1 238537053 573845802 /nfs/dbraw/zinc/84/58/02/573845802.db2.gz RBDZQCUWCLDXQT-SNVBAGLBSA-N 1 0 191.274 2.515 10 10 AFCERO Cc1cccc([C@@H]([NH3+])C(C)(C)C)c1O 238541689 573853071 /nfs/dbraw/zinc/85/30/71/573853071.db2.gz AWGBNHNQWIUHFK-LLVKDONJSA-N 1 0 193.290 2.747 10 10 AFCERO C[C@@H](F)c1ccc(O)c(C(C)(C)[NH3+])c1 258171035 573879197 /nfs/dbraw/zinc/87/91/97/573879197.db2.gz VUCVIPLZKFWVSG-SSDOTTSWSA-N 1 0 197.253 2.617 10 10 AFCERO C[C@H](F)c1ccc(O)c(C(C)(C)[NH3+])c1 258171038 573879726 /nfs/dbraw/zinc/87/97/26/573879726.db2.gz VUCVIPLZKFWVSG-ZETCQYMHSA-N 1 0 197.253 2.617 10 10 AFCERO Cc1ccc(C)c(C[NH2+]C(C)C)c1O 238185844 573920471 /nfs/dbraw/zinc/92/04/71/573920471.db2.gz YRRLLYDNVQUWLU-UHFFFAOYSA-N 1 0 193.290 2.507 10 10 AFCERO CCC[C@@H]([NH3+])c1cc(C)c(C)cc1O 238229710 573975898 /nfs/dbraw/zinc/97/58/98/573975898.db2.gz HNKRKOSXANSFDA-LLVKDONJSA-N 1 0 193.290 2.809 10 10 AFCERO CC(C)[C@H]([NH3+])c1c(O)cccc1Cl 104400567 573978322 /nfs/dbraw/zinc/97/83/22/573978322.db2.gz NUSJHOMWMPGXLH-JTQLQIEISA-N 1 0 199.681 2.701 10 10 AFCERO CCC[C@H]([NH3+])c1c(O)cccc1Cl 104401783 573979949 /nfs/dbraw/zinc/97/99/49/573979949.db2.gz DIDLGVOCLQIXBN-QMMMGPOBSA-N 1 0 199.681 2.846 10 10 AFCERO CCC[C@@H]([NH3+])c1ccc(Cl)cc1O 104494095 574009487 /nfs/dbraw/zinc/00/94/87/574009487.db2.gz IVWUTENCRDYDOK-SECBINFHSA-N 1 0 199.681 2.846 10 10 AFCERO Cc1cc(C)c(C(C)(C)[NH3+])c(O)c1C 259274114 574017758 /nfs/dbraw/zinc/01/77/58/574017758.db2.gz BATRAIYOYSWAGZ-UHFFFAOYSA-N 1 0 193.290 2.511 10 10 AFCERO CC[C@@H]([NH3+])c1ccc(Cl)c(C)c1O 104513015 574021634 /nfs/dbraw/zinc/02/16/34/574021634.db2.gz PWVXEKIBZKYCKX-SECBINFHSA-N 1 0 199.681 2.764 10 10 AFCERO CC[C@@H]([NH3+])c1cc(C)c(Cl)cc1O 104513585 574022593 /nfs/dbraw/zinc/02/25/93/574022593.db2.gz CWGNXUZKPIVIMS-SECBINFHSA-N 1 0 199.681 2.764 10 10 AFCERO CCC[C@@H]([NH3+])c1ccc(C)c(F)c1O 104512442 574022922 /nfs/dbraw/zinc/02/29/22/574022922.db2.gz NVSXATWNSLSYHQ-SECBINFHSA-N 1 0 197.253 2.640 10 10 AFCERO N#[N+]Cc1cc(Cl)cc(Cl)c1 113190513 574047592 /nfs/dbraw/zinc/04/75/92/574047592.db2.gz BZUOILQENWCNJK-UHFFFAOYSA-N 1 0 187.029 2.642 10 10 AFCERO CCCc1ccc(O)c([C@H]([NH3+])CC)c1 95781539 673952190 /nfs/dbraw/zinc/95/21/90/673952190.db2.gz XWTOBSAYCAZTGM-LLVKDONJSA-N 1 0 193.290 2.755 10 10 AFCERO CCCc1ccc(O)c([C@@H]([NH3+])CC)c1 95770302 673952267 /nfs/dbraw/zinc/95/22/67/673952267.db2.gz XWTOBSAYCAZTGM-NSHDSACASA-N 1 0 193.290 2.755 10 10 AFCERO CCC[C@@H]([NH3+])c1cc(CC)ccc1O 95781508 673952350 /nfs/dbraw/zinc/95/23/50/673952350.db2.gz KNBZPKOAEVUNMC-LLVKDONJSA-N 1 0 193.290 2.755 10 10 AFCERO CCC[C@H]([NH3+])c1cc(CC)ccc1O 95770271 673952499 /nfs/dbraw/zinc/95/24/99/673952499.db2.gz KNBZPKOAEVUNMC-NSHDSACASA-N 1 0 193.290 2.755 10 10 AFCERO Cc1cc(Nc2ccc(N)cc2)cc[nH+]1 229536213 1169388096 /nfs/dbraw/zinc/38/80/96/1169388096.db2.gz RAGKBGDNYYHRAG-UHFFFAOYSA-N 1 0 199.257 2.716 10 10 AFCERO CC[NH2+][C@H](CC)c1ccc(C)cc1O 379598296 1169588944 /nfs/dbraw/zinc/58/89/44/1169588944.db2.gz HFXFQXCBSFUWSL-LLVKDONJSA-N 1 0 193.290 2.761 10 10 AFCERO CC[NH2+][C@@H](CC)c1ccc(C)cc1O 379598297 1169589516 /nfs/dbraw/zinc/58/95/16/1169589516.db2.gz HFXFQXCBSFUWSL-NSHDSACASA-N 1 0 193.290 2.761 10 10 AFCERO CC(C)c1cc(O)c(C[NH3+])cc1Cl 214202346 571733512 /nfs/dbraw/zinc/73/35/12/571733512.db2.gz PMPPWCSBLDLMEP-UHFFFAOYSA-N 1 0 199.681 2.628 10 10 AFCERO CC(C)(C)/N=N/C(C)(C)C(C)(C)[NH3+] 39038926 571869933 /nfs/dbraw/zinc/86/99/33/571869933.db2.gz RJOCQQGEFXTKRJ-OUKQBFOZSA-N 1 0 185.315 2.753 10 10 AFCERO CCC(C)(C)c1ccc(O)c(C[NH3+])c1 39259371 571918101 /nfs/dbraw/zinc/91/81/01/571918101.db2.gz VJARAOKREKAHCK-UHFFFAOYSA-N 1 0 193.290 2.539 10 10 AFCERO Cc1c[nH+]ccc1Nc1ccc(N)cc1 70046150 572172200 /nfs/dbraw/zinc/17/22/00/572172200.db2.gz VEQGTLSHXGXYOA-UHFFFAOYSA-N 1 0 199.257 2.716 10 10 AFCERO Cc1ccc(O)c([C@@H](C)[NH2+]C(C)C)c1 35628469 572180510 /nfs/dbraw/zinc/18/05/10/572180510.db2.gz PBGWJMRXHBIFHC-SNVBAGLBSA-N 1 0 193.290 2.760 10 10 AFCERO Cc1ccc(O)c([C@H](C)[NH2+]C(C)C)c1 35628470 572180885 /nfs/dbraw/zinc/18/08/85/572180885.db2.gz PBGWJMRXHBIFHC-JTQLQIEISA-N 1 0 193.290 2.760 10 10 AFCERO CC(C)N(C)c1ccc([C@@H](C)[NH3+])cc1 19872429 572203935 /nfs/dbraw/zinc/20/39/35/572203935.db2.gz HQPNVMJUDSILFE-SNVBAGLBSA-N 1 0 192.306 2.551 10 10 AFCERO CC(C)N(C)c1ccc([C@H](C)[NH3+])cc1 19872431 572205132 /nfs/dbraw/zinc/20/51/32/572205132.db2.gz HQPNVMJUDSILFE-JTQLQIEISA-N 1 0 192.306 2.551 10 10 AFCERO CCCC[C@H]([NH3+])c1c(C)cccc1O 238217502 572348728 /nfs/dbraw/zinc/34/87/28/572348728.db2.gz LDJIWCNTIJZUFE-JTQLQIEISA-N 1 0 193.290 2.891 10 10 AFCERO CCC(CC)[NH2+]Cc1ccc(N)cc1 87156725 572381037 /nfs/dbraw/zinc/38/10/37/572381037.db2.gz CDDCGEGYRMZGJZ-UHFFFAOYSA-N 1 0 192.306 2.547 10 10 AFCERO Oc1c([C@H]2CC[NH2+]2)ccc2ccccc12 238715321 572409547 /nfs/dbraw/zinc/40/95/47/572409547.db2.gz FVSHICGKSZKAGZ-GFCCVEGCSA-N 1 0 199.253 2.580 10 10 AFCERO Oc1c([C@@H]2CC[NH2+]2)ccc2ccccc12 238715223 572410816 /nfs/dbraw/zinc/41/08/16/572410816.db2.gz FVSHICGKSZKAGZ-LBPRGKRZSA-N 1 0 199.253 2.580 10 10 AFCERO CCCC[C@@H]([NH3+])c1c(C)cccc1O 238793100 572413871 /nfs/dbraw/zinc/41/38/71/572413871.db2.gz LDJIWCNTIJZUFE-SNVBAGLBSA-N 1 0 193.290 2.891 10 10 AFCERO CC[NH2+][C@@](C)(CC)c1ccccc1O 238258158 572471329 /nfs/dbraw/zinc/47/13/29/572471329.db2.gz RJJYXSDIUUARLH-LBPRGKRZSA-N 1 0 193.290 2.627 10 10 AFCERO C[N@H+](CC(C)(C)C)c1ccc(N)cc1 45070793 572507548 /nfs/dbraw/zinc/50/75/48/572507548.db2.gz LHJXVKSQOJJEDI-UHFFFAOYSA-N 1 0 192.306 2.751 10 10 AFCERO Cc1ccc(C(C)(C)[NH3+])c([O-])c1Cl 75068365 572805028 /nfs/dbraw/zinc/80/50/28/572805028.db2.gz OEEKYROHMXASAS-UHFFFAOYSA-N 1 0 199.681 2.548 10 10 AFCERO Cc1cc(Cl)c(C)c([C@@H](C)[NH3+])c1O 71457033 572821102 /nfs/dbraw/zinc/82/11/02/572821102.db2.gz BZCFTAIVXPFMCQ-SSDOTTSWSA-N 1 0 199.681 2.682 10 10 AFCERO Cc1cc(Cl)c(C)c([C@H](C)[NH3+])c1O 71457034 572822684 /nfs/dbraw/zinc/82/26/84/572822684.db2.gz BZCFTAIVXPFMCQ-ZETCQYMHSA-N 1 0 199.681 2.682 10 10 AFCERO CC[C@@H]([NH3+])c1cc(Cl)c(C)cc1O 71454593 572822890 /nfs/dbraw/zinc/82/28/90/572822890.db2.gz QSAJEFXZAWHBBQ-SECBINFHSA-N 1 0 199.681 2.764 10 10 AFCERO CC[C@H]([NH3+])c1cc(Cl)c(C)cc1O 71454592 572823685 /nfs/dbraw/zinc/82/36/85/572823685.db2.gz QSAJEFXZAWHBBQ-VIFPVBQESA-N 1 0 199.681 2.764 10 10 AFCERO CC(C)c1cc(Cl)cc(C[NH3+])c1O 71455795 572824038 /nfs/dbraw/zinc/82/40/38/572824038.db2.gz RUEQOXZCIUBMMI-UHFFFAOYSA-N 1 0 199.681 2.628 10 10 AFCERO CCC[C@H]([NH3+])c1c(C)cccc1O 238241558 572997647 /nfs/dbraw/zinc/99/76/47/572997647.db2.gz FBYXNMMYUQJBGM-VIFPVBQESA-N 1 0 179.263 2.501 10 10 AFCERO CCCc1cccc(C(C)(C)[NH3+])c1O 238285970 573113067 /nfs/dbraw/zinc/11/30/67/573113067.db2.gz NSLXSFOIYDSLBL-UHFFFAOYSA-N 1 0 193.290 2.539 10 10 AFCERO CC(C)[NH+](c1ccc(N)cc1)C(C)C 114853446 573131764 /nfs/dbraw/zinc/13/17/64/573131764.db2.gz JDFLIMZSDVQYRP-UHFFFAOYSA-N 1 0 192.306 2.892 10 10 AFCERO C[NH2+][C@@H](C)c1cc(C)c(Cl)cc1O 238323616 573231664 /nfs/dbraw/zinc/23/16/64/573231664.db2.gz MYRGVYOFBQKEFQ-ZETCQYMHSA-N 1 0 199.681 2.634 10 10 AFCERO C[NH2+][C@H](C)c1cc(Cl)c(C)cc1O 238330410 573277174 /nfs/dbraw/zinc/27/71/74/573277174.db2.gz PTCKJGMDMKMXRG-SSDOTTSWSA-N 1 0 199.681 2.634 10 10 AFCERO C[NH2+][C@H](C)c1ccc(Cl)c(C)c1O 238333872 573290359 /nfs/dbraw/zinc/29/03/59/573290359.db2.gz LFAJNBQRSCRCQZ-SSDOTTSWSA-N 1 0 199.681 2.634 10 10 AFCERO C[NH2+][C@@H](C)c1cc(Cl)c(C)cc1O 238324709 573293635 /nfs/dbraw/zinc/29/36/35/573293635.db2.gz PTCKJGMDMKMXRG-ZETCQYMHSA-N 1 0 199.681 2.634 10 10 AFCERO CC[C@@H](c1ccccc1O)[N@H+](C)CC 132543440 573320690 /nfs/dbraw/zinc/32/06/90/573320690.db2.gz MJUJCOLLHJRDBQ-NSHDSACASA-N 1 0 193.290 2.795 10 10 AFCERO CC[C@H](c1ccccc1O)[N@H+](C)CC 132543635 573321432 /nfs/dbraw/zinc/32/14/32/573321432.db2.gz MJUJCOLLHJRDBQ-LLVKDONJSA-N 1 0 193.290 2.795 10 10 AFCERO CC[C@H]([NH3+])c1c(Cl)ccc(C)c1O 211737735 573403137 /nfs/dbraw/zinc/40/31/37/573403137.db2.gz QQJDERYIDMDTJY-QMMMGPOBSA-N 1 0 199.681 2.764 10 10 AFCERO Cc1c(Cl)cc([C@H](C)[NH3+])c(O)c1C 211763883 573449838 /nfs/dbraw/zinc/44/98/38/573449838.db2.gz MVSDLFOMPGTFPT-ZETCQYMHSA-N 1 0 199.681 2.682 10 10 AFCERO C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1O 238426176 573524698 /nfs/dbraw/zinc/52/46/98/573524698.db2.gz WKWAELMKMCZPRK-MRVPVSSYSA-N 1 0 193.290 2.709 10 10 AFCERO CC(C)c1cccc(C[NH+](C)C)c1O 223666951 573589823 /nfs/dbraw/zinc/58/98/23/573589823.db2.gz WVPWUUJAOODRQH-UHFFFAOYSA-N 1 0 193.290 2.577 10 10 AFCERO Cc1cc(O)c(C(C)(C)[NH3+])cc1Cl 238465965 573649699 /nfs/dbraw/zinc/64/96/99/573649699.db2.gz DZNMPRJJHZTUBU-UHFFFAOYSA-N 1 0 199.681 2.548 10 10 AFCERO CC1(C)CC[C@@H](c2ccccc2O)[NH2+]1 258082451 573654606 /nfs/dbraw/zinc/65/46/06/573654606.db2.gz VXDIDUMQLHPAMH-JTQLQIEISA-N 1 0 191.274 2.595 10 10 AFCERO Cc1ccc([C@@H]([NH3+])C(C)(C)C)c(O)c1 238475343 573664511 /nfs/dbraw/zinc/66/45/11/573664511.db2.gz GNXNHFSWUKLCKE-LLVKDONJSA-N 1 0 193.290 2.747 10 10 AFCERO Oc1ccccc1[C@H]1CCCCC[NH2+]1 75868600 573722872 /nfs/dbraw/zinc/72/28/72/573722872.db2.gz OQQWTNGZSILWAJ-LLVKDONJSA-N 1 0 191.274 2.597 10 10 AFCERO N#[N+]N=C(N)C(Cl)(Cl)Cl 238497038 573748646 /nfs/dbraw/zinc/74/86/46/573748646.db2.gz CKFAEWBNFMMCIH-UHFFFAOYSA-N 1 0 187.417 2.644 10 10 AFCERO CC[NH2+][C@@H](C)c1cc(F)c(C)cc1O 87225060 573836620 /nfs/dbraw/zinc/83/66/20/573836620.db2.gz ZBYIZVWBIPFMQE-QMMMGPOBSA-N 1 0 197.253 2.510 10 10 AFCERO CC[NH2+][C@H](C)c1cc(F)c(C)cc1O 87225063 573836678 /nfs/dbraw/zinc/83/66/78/573836678.db2.gz ZBYIZVWBIPFMQE-MRVPVSSYSA-N 1 0 197.253 2.510 10 10 AFCERO Cc1cccc(O)c1[C@H]([NH3+])C1CCC1 238536744 573844713 /nfs/dbraw/zinc/84/47/13/573844713.db2.gz LGTFMNPFVPSAOR-GFCCVEGCSA-N 1 0 191.274 2.501 10 10 AFCERO Cc1cccc(O)c1[C@H]([NH3+])CC1CC1 238536845 573844920 /nfs/dbraw/zinc/84/49/20/573844920.db2.gz GSQXIUXGXSJUAL-SNVBAGLBSA-N 1 0 191.274 2.501 10 10 AFCERO Cc1cccc(O)c1[C@@H]([NH3+])C1CCC1 238535894 573845361 /nfs/dbraw/zinc/84/53/61/573845361.db2.gz LGTFMNPFVPSAOR-LBPRGKRZSA-N 1 0 191.274 2.501 10 10 AFCERO Cc1cccc(O)c1[C@@H]1CCCC[NH2+]1 238536311 573845412 /nfs/dbraw/zinc/84/54/12/573845412.db2.gz RBDZQCUWCLDXQT-JTQLQIEISA-N 1 0 191.274 2.515 10 10 AFCERO Cc1cccc(O)c1[C@@H]([NH3+])CC1CC1 238536030 573845445 /nfs/dbraw/zinc/84/54/45/573845445.db2.gz GSQXIUXGXSJUAL-JTQLQIEISA-N 1 0 191.274 2.501 10 10 AFCERO Cc1cc(O)c([C@H]([NH3+])C(C)C)cc1C 238169476 573857993 /nfs/dbraw/zinc/85/79/93/573857993.db2.gz HZKHDLGRXRQCHD-GFCCVEGCSA-N 1 0 193.290 2.665 10 10 AFCERO CC(C)c1cccc(C(C)(C)[NH3+])c1O 238161857 573870084 /nfs/dbraw/zinc/87/00/84/573870084.db2.gz MIEBKBZEGIULAC-UHFFFAOYSA-N 1 0 193.290 2.709 10 10 AFCERO Cc1c(Cl)ccc(O)c1C(C)(C)[NH3+] 215006071 573926219 /nfs/dbraw/zinc/92/62/19/573926219.db2.gz NFDQRCUIDLCNIB-UHFFFAOYSA-N 1 0 199.681 2.548 10 10 AFCERO Cc1ccc(O)c(C(C)(C)[NH3+])c1Cl 215006474 573929560 /nfs/dbraw/zinc/92/95/60/573929560.db2.gz BDGPGUXNVRPUMM-UHFFFAOYSA-N 1 0 199.681 2.548 10 10 AFCERO CC[C@@H]([NH3+])c1cccc(SC)c1O 104453580 573985839 /nfs/dbraw/zinc/98/58/39/573985839.db2.gz GIOIJHJYCQRFEG-MRVPVSSYSA-N 1 0 197.303 2.524 10 10 AFCERO CCC[C@H]([NH3+])c1ccc(Cl)cc1O 104494092 574008773 /nfs/dbraw/zinc/00/87/73/574008773.db2.gz IVWUTENCRDYDOK-VIFPVBQESA-N 1 0 199.681 2.846 10 10 AFCERO CCC[C@H]([NH3+])c1c(O)ccc(F)c1C 104492127 574010687 /nfs/dbraw/zinc/01/06/87/574010687.db2.gz AVNQKXLIGXZWQJ-VIFPVBQESA-N 1 0 197.253 2.640 10 10 AFCERO C[NH2+][C@H](C)c1cc(C(C)C)ccc1O 104519271 574024568 /nfs/dbraw/zinc/02/45/68/574024568.db2.gz MPPUGRXFTQHVEG-SECBINFHSA-N 1 0 193.290 2.796 10 10 AFCERO Cc1c(Cl)cc([C@@H](C)[NH3+])c(O)c1C 104519387 574025891 /nfs/dbraw/zinc/02/58/91/574025891.db2.gz MVSDLFOMPGTFPT-SSDOTTSWSA-N 1 0 199.681 2.682 10 10 AFCERO CCc1cc(Cl)c([O-])c([C@@H](C)[NH3+])c1 104520228 574026554 /nfs/dbraw/zinc/02/65/54/574026554.db2.gz CRIRBUDEVWCMAB-ZCFIWIBFSA-N 1 0 199.681 2.628 10 10 AFCERO CCC[C@H]([NH3+])c1cc(C)c(F)cc1O 757132437 582458651 /nfs/dbraw/zinc/45/86/51/582458651.db2.gz GRFYVHLHRDGESS-JTQLQIEISA-N 1 0 197.253 2.640 10 10 AFCERO CCC[C@@H]([NH3+])c1cc(C)c(F)cc1O 757132488 582458708 /nfs/dbraw/zinc/45/87/08/582458708.db2.gz GRFYVHLHRDGESS-SNVBAGLBSA-N 1 0 197.253 2.640 10 10 AFCERO CC[C@H](C)c1ccc(O)c([C@H](C)[NH3+])c1 757132833 582458869 /nfs/dbraw/zinc/45/88/69/582458869.db2.gz MGVCIUPLYDQWJH-IUCAKERBSA-N 1 0 193.290 2.925 10 10 AFCERO CC[C@@H](C)c1ccc(O)c([C@@H](C)[NH3+])c1 757132835 582458980 /nfs/dbraw/zinc/45/89/80/582458980.db2.gz MGVCIUPLYDQWJH-RKDXNWHRSA-N 1 0 193.290 2.925 10 10 AFCERO CC[C@@H](C)c1ccc(O)c([C@H](C)[NH3+])c1 757132827 582459383 /nfs/dbraw/zinc/45/93/83/582459383.db2.gz MGVCIUPLYDQWJH-BDAKNGLRSA-N 1 0 193.290 2.925 10 10 AFCERO CC[C@H](C)c1ccc(O)c([C@@H](C)[NH3+])c1 757132832 582459545 /nfs/dbraw/zinc/45/95/45/582459545.db2.gz MGVCIUPLYDQWJH-DTWKUNHWSA-N 1 0 193.290 2.925 10 10 AFCERO CCCCc1ccc(O)c([C@@H](C)[NH3+])c1 757141956 582461919 /nfs/dbraw/zinc/46/19/19/582461919.db2.gz 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