smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H](C)[NH2+]c1ccc(N)cc1 34958856 343126252 /nfs/dbraw/zinc/12/62/52/343126252.db2.gz SBLYOJDSKKKNAX-SECBINFHSA-N 1 1 178.279 2.725 10 10 AFCEMO CC(C)[C@H](C)[N@@H+](C)c1ccc(N)cc1 57562409 343337621 /nfs/dbraw/zinc/33/76/21/343337621.db2.gz UBVMSDYZZQWPFL-JTQLQIEISA-N 1 1 192.306 2.750 10 10 AFCEMO CC[N@H+](C)[C@H](C)c1ccc(F)cc1O 132542973 343900168 /nfs/dbraw/zinc/90/01/68/343900168.db2.gz VWTYUHHBZHOFSX-MRVPVSSYSA-N 1 1 197.253 2.544 10 10 AFCEMO CC[N@@H+](C)[C@H](C)c1ccc(F)cc1O 132542973 343900169 /nfs/dbraw/zinc/90/01/69/343900169.db2.gz VWTYUHHBZHOFSX-MRVPVSSYSA-N 1 1 197.253 2.544 10 10 AFCEMO CCCC[N@@H+](CC)c1ccc(N)cc1 19396100 166886540 /nfs/dbraw/zinc/88/65/40/166886540.db2.gz ZEJHGUFJUJLUQD-UHFFFAOYSA-N 1 1 192.306 2.895 10 10 AFCEMO CCC[C@@H](C)[NH2+]c1ccc(N)cc1 57334944 167036666 /nfs/dbraw/zinc/03/66/66/167036666.db2.gz JQPGEGUDCVNIDL-SECBINFHSA-N 1 1 178.279 2.869 10 10 AFCEMO CCC[C@H](C)[NH2+]c1ccc(N)cc1 57334947 167071202 /nfs/dbraw/zinc/07/12/02/167071202.db2.gz JQPGEGUDCVNIDL-VIFPVBQESA-N 1 1 178.279 2.869 10 10 AFCEMO CC[N@@H+](c1ccc(N)cc1)C(C)(C)C 58414546 167195810 /nfs/dbraw/zinc/19/58/10/167195810.db2.gz ZCYKPJUQCJNWMM-UHFFFAOYSA-N 1 1 192.306 2.894 10 10 AFCEMO CC[C@@H](C)[N@H+](C)c1ccc(N)cc1 20374513 167462547 /nfs/dbraw/zinc/46/25/47/167462547.db2.gz YCZNQEJEKCCVQD-SECBINFHSA-N 1 1 178.279 2.504 10 10 AFCEMO CC[C@@H](C)[N@@H+](C)c1ccc(N)cc1 20374513 167462550 /nfs/dbraw/zinc/46/25/50/167462550.db2.gz YCZNQEJEKCCVQD-SECBINFHSA-N 1 1 178.279 2.504 10 10 AFCEMO C[C@@H](C1CC1)[N@H+](C)c1ccc(N)cc1 57557203 168331415 /nfs/dbraw/zinc/33/14/15/168331415.db2.gz URNAFHVOARVFFA-VIFPVBQESA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@@H](C1CC1)[N@@H+](C)c1ccc(N)cc1 57557203 168331416 /nfs/dbraw/zinc/33/14/16/168331416.db2.gz URNAFHVOARVFFA-VIFPVBQESA-N 1 1 190.290 2.504 10 10 AFCEMO Nc1ccc([NH2+]C2CCCC2)cc1 26515942 169293189 /nfs/dbraw/zinc/29/31/89/169293189.db2.gz XXQWAUDSOHDXNQ-UHFFFAOYSA-N 1 1 176.263 2.623 10 10 AFCEMO C[N@H+]1CCCC[C@H]1c1ccccc1O 75906688 171115614 /nfs/dbraw/zinc/11/56/14/171115614.db2.gz HNFOIXXMUIDLDE-NSHDSACASA-N 1 1 191.274 2.549 10 10 AFCEMO C[N@H+]1CCCC[C@@H]1c1ccccc1O 75906686 171115672 /nfs/dbraw/zinc/11/56/72/171115672.db2.gz HNFOIXXMUIDLDE-LLVKDONJSA-N 1 1 191.274 2.549 10 10 AFCEMO C[N@H+](c1ccc(N)cc1)C(C)(C)C 203973286 344368830 /nfs/dbraw/zinc/36/88/30/344368830.db2.gz KIBBBQFAOGQEDH-UHFFFAOYSA-N 1 1 178.279 2.504 10 10 AFCEMO C[N@@H+](c1ccc(N)cc1)C(C)(C)C 203973286 344368832 /nfs/dbraw/zinc/36/88/32/344368832.db2.gz KIBBBQFAOGQEDH-UHFFFAOYSA-N 1 1 178.279 2.504 10 10 AFCEMO CC(C)[C@H](C)[NH2+]c1ccc(N)cc1 34958857 343126496 /nfs/dbraw/zinc/12/64/96/343126496.db2.gz SBLYOJDSKKKNAX-VIFPVBQESA-N 1 1 178.279 2.725 10 10 AFCEMO CCC(C)(C)[NH2+]c1ccc(N)cc1 34964364 343126750 /nfs/dbraw/zinc/12/67/50/343126750.db2.gz PURSCIIOBJGITK-UHFFFAOYSA-N 1 1 178.279 2.869 10 10 AFCEMO CC[C@@H]1CCC[N@@H+]1c1ccc(N)cc1 37912909 343180905 /nfs/dbraw/zinc/18/09/05/343180905.db2.gz HUNVOJZURTUYTF-LLVKDONJSA-N 1 1 190.290 2.648 10 10 AFCEMO CC[C@@H]1CCC[N@H+]1c1ccc(N)cc1 37912909 343180906 /nfs/dbraw/zinc/18/09/06/343180906.db2.gz HUNVOJZURTUYTF-LLVKDONJSA-N 1 1 190.290 2.648 10 10 AFCEMO CC[C@H]1CCC[N@@H+]1c1ccc(N)cc1 37912910 343181117 /nfs/dbraw/zinc/18/11/17/343181117.db2.gz HUNVOJZURTUYTF-NSHDSACASA-N 1 1 190.290 2.648 10 10 AFCEMO CC[C@H]1CCC[N@H+]1c1ccc(N)cc1 37912910 343181119 /nfs/dbraw/zinc/18/11/19/343181119.db2.gz HUNVOJZURTUYTF-NSHDSACASA-N 1 1 190.290 2.648 10 10 AFCEMO C[C@H](C1CC1)[N@H+](C)c1ccc(N)cc1 57557207 343337604 /nfs/dbraw/zinc/33/76/04/343337604.db2.gz URNAFHVOARVFFA-SECBINFHSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@H](C1CC1)[N@@H+](C)c1ccc(N)cc1 57557207 343337605 /nfs/dbraw/zinc/33/76/05/343337605.db2.gz URNAFHVOARVFFA-SECBINFHSA-N 1 1 190.290 2.504 10 10 AFCEMO CC(C)[C@@H](C)[N@@H+](C)c1ccc(N)cc1 57562408 343337683 /nfs/dbraw/zinc/33/76/83/343337683.db2.gz UBVMSDYZZQWPFL-SNVBAGLBSA-N 1 1 192.306 2.750 10 10 AFCEMO CC(C)[NH2+][C@H](C)c1ccc(F)cc1O 62744695 343378704 /nfs/dbraw/zinc/37/87/04/343378704.db2.gz FKTLMIQEFWCERQ-MRVPVSSYSA-N 1 1 197.253 2.590 10 10 AFCEMO CC(C)[NH2+][C@@H](C)c1ccc(F)cc1O 62744694 343378924 /nfs/dbraw/zinc/37/89/24/343378924.db2.gz FKTLMIQEFWCERQ-QMMMGPOBSA-N 1 1 197.253 2.590 10 10 AFCEMO CC1(C)CCC[N@@H+]1c1ccc(N)cc1 63066295 343399654 /nfs/dbraw/zinc/39/96/54/343399654.db2.gz ZYXMKIQQLRTPMH-UHFFFAOYSA-N 1 1 190.290 2.648 10 10 AFCEMO CC1(C)CCC[N@H+]1c1ccc(N)cc1 63066295 343399657 /nfs/dbraw/zinc/39/96/57/343399657.db2.gz ZYXMKIQQLRTPMH-UHFFFAOYSA-N 1 1 190.290 2.648 10 10 AFCEMO C[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N)cc1 70828179 343534289 /nfs/dbraw/zinc/53/42/89/343534289.db2.gz WXECIIUUAAKHCJ-SKDRFNHKSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@H]1CCC[C@H]1[NH2+]c1ccc(N)cc1 70828188 343534354 /nfs/dbraw/zinc/53/43/54/343534354.db2.gz WXECIIUUAAKHCJ-JOYOIKCWSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@H]1CCC[C@@H]1[NH2+]c1ccc(N)cc1 70828182 343534416 /nfs/dbraw/zinc/53/44/16/343534416.db2.gz WXECIIUUAAKHCJ-CABZTGNLSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@@H]1CCC[C@H]1[NH2+]c1ccc(N)cc1 70828184 343534427 /nfs/dbraw/zinc/53/44/27/343534427.db2.gz WXECIIUUAAKHCJ-BXKDBHETSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@H]1CC[C@@H]([NH2+]c2ccc(N)cc2)C1 128296607 343827923 /nfs/dbraw/zinc/82/79/23/343827923.db2.gz IXRBEJCGOXAWPX-JOYOIKCWSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@@H]1CC[C@@H]([NH2+]c2ccc(N)cc2)C1 128296390 343828047 /nfs/dbraw/zinc/82/80/47/343828047.db2.gz IXRBEJCGOXAWPX-BXKDBHETSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@@H]1CC[C@H]([NH2+]c2ccc(N)cc2)C1 128295985 343828171 /nfs/dbraw/zinc/82/81/71/343828171.db2.gz IXRBEJCGOXAWPX-SKDRFNHKSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@H]1CC[C@H]([NH2+]c2ccc(N)cc2)C1 128296194 343828234 /nfs/dbraw/zinc/82/82/34/343828234.db2.gz IXRBEJCGOXAWPX-CABZTGNLSA-N 1 1 190.290 2.869 10 10 AFCEMO Cc1ccc(O)c(C[N@H+](C)C(C)C)c1 132481027 343898702 /nfs/dbraw/zinc/89/87/02/343898702.db2.gz OGSXODXCCOXVQM-UHFFFAOYSA-N 1 1 193.290 2.541 10 10 AFCEMO CC[N@@H+](C)[C@H](C)c1cc(F)ccc1O 132545793 343900072 /nfs/dbraw/zinc/90/00/72/343900072.db2.gz DJPFMZBMXCYWTA-MRVPVSSYSA-N 1 1 197.253 2.544 10 10 AFCEMO CC[N@@H+](C)[C@H](C)c1cc(C)ccc1O 132546453 343900097 /nfs/dbraw/zinc/90/00/97/343900097.db2.gz QAUXFGBQJGAINX-SNVBAGLBSA-N 1 1 193.290 2.713 10 10 AFCEMO CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1O 132546251 343900132 /nfs/dbraw/zinc/90/01/32/343900132.db2.gz QAUXFGBQJGAINX-JTQLQIEISA-N 1 1 193.290 2.713 10 10 AFCEMO CC[N@H+](C)[C@@H](C)c1ccc(F)cc1O 132542730 343900161 /nfs/dbraw/zinc/90/01/61/343900161.db2.gz VWTYUHHBZHOFSX-QMMMGPOBSA-N 1 1 197.253 2.544 10 10 AFCEMO CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1O 132542730 343900162 /nfs/dbraw/zinc/90/01/62/343900162.db2.gz VWTYUHHBZHOFSX-QMMMGPOBSA-N 1 1 197.253 2.544 10 10 AFCEMO CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1O 132545590 343900237 /nfs/dbraw/zinc/90/02/37/343900237.db2.gz DJPFMZBMXCYWTA-QMMMGPOBSA-N 1 1 197.253 2.544 10 10 AFCEMO C[C@H]1CC[N@@H+](c2ccc(N)cc2)[C@@H]1C 306556552 345432140 /nfs/dbraw/zinc/43/21/40/345432140.db2.gz MSGRWZLXRAFULD-VHSXEESVSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@H]1CC[N@H+](c2ccc(N)cc2)[C@@H]1C 306556552 345432142 /nfs/dbraw/zinc/43/21/42/345432142.db2.gz MSGRWZLXRAFULD-VHSXEESVSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@H]1[C@H](C)CC[N@H+]1c1ccc(N)cc1 306556553 345432200 /nfs/dbraw/zinc/43/22/00/345432200.db2.gz MSGRWZLXRAFULD-ZJUUUORDSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@H]1[C@H](C)CC[N@@H+]1c1ccc(N)cc1 306556553 345432202 /nfs/dbraw/zinc/43/22/02/345432202.db2.gz MSGRWZLXRAFULD-ZJUUUORDSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@H]1CC[N@@H+](c2ccc(N)cc2)[C@H]1C 306556551 345432395 /nfs/dbraw/zinc/43/23/95/345432395.db2.gz MSGRWZLXRAFULD-UWVGGRQHSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@H]1CC[N@H+](c2ccc(N)cc2)[C@H]1C 306556551 345432398 /nfs/dbraw/zinc/43/23/98/345432398.db2.gz MSGRWZLXRAFULD-UWVGGRQHSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@@H]1CC[N@@H+](c2ccc(N)cc2)[C@@H]1C 306556550 345432521 /nfs/dbraw/zinc/43/25/21/345432521.db2.gz MSGRWZLXRAFULD-NXEZZACHSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@@H]1CC[N@H+](c2ccc(N)cc2)[C@@H]1C 306556550 345432525 /nfs/dbraw/zinc/43/25/25/345432525.db2.gz MSGRWZLXRAFULD-NXEZZACHSA-N 1 1 190.290 2.504 10 10 AFCEMO CC(C)C[C@@H]([NH3+])c1cccc(F)c1O 306660938 345525166 /nfs/dbraw/zinc/52/51/66/345525166.db2.gz RDVKLSDZAYFDOL-SNVBAGLBSA-N 1 1 197.253 2.577 10 10 AFCEMO CC(C)C[C@H]([NH3+])c1cccc(F)c1O 306660937 345525332 /nfs/dbraw/zinc/52/53/32/345525332.db2.gz RDVKLSDZAYFDOL-JTQLQIEISA-N 1 1 197.253 2.577 10 10 AFCEMO CC(C)CC[NH2+]c1ccc(N)cc1 20382842 351404136 /nfs/dbraw/zinc/40/41/36/351404136.db2.gz TWQDBEIDSGKPKV-UHFFFAOYSA-N 1 1 178.279 2.727 10 10 AFCEMO CCc1cc(Cl)c(O)c([C@H](C)[NH3+])c1 211767067 573446832 /nfs/dbraw/zinc/44/68/32/573446832.db2.gz CRIRBUDEVWCMAB-LURJTMIESA-N 1 1 199.681 2.628 10 10 AFCEMO CC(C)(C)[C@@H]([NH3+])c1ccc(F)cc1O 238140066 573826369 /nfs/dbraw/zinc/82/63/69/573826369.db2.gz MWDYFWSBICZFKN-JTQLQIEISA-N 1 1 197.253 2.577 10 10 AFCEMO CC1(C)CC[N@@H+](c2ccc(N)cc2)C1 87232421 573846636 /nfs/dbraw/zinc/84/66/36/573846636.db2.gz ZIFSKTYQGDHGBG-UHFFFAOYSA-N 1 1 190.290 2.505 10 10 AFCEMO CC1(C)CC[N@H+](c2ccc(N)cc2)C1 87232421 573846641 /nfs/dbraw/zinc/84/66/41/573846641.db2.gz ZIFSKTYQGDHGBG-UHFFFAOYSA-N 1 1 190.290 2.505 10 10 AFCEMO C[NH2+][C@H](C)c1cc(C)cc(Cl)c1O 104520868 574024129 /nfs/dbraw/zinc/02/41/29/574024129.db2.gz NWXUUWIBMNQDQF-SSDOTTSWSA-N 1 1 199.681 2.634 10 10 AFCEMO CC1(C[NH2+]c2ccc(N)cc2)CCC1 232796773 630204454 /nfs/dbraw/zinc/20/44/54/630204454.db2.gz RZTXAIHAUVREGE-UHFFFAOYSA-N 1 1 190.290 2.871 10 10 AFCEMO CC(C)(C)[C@H]([NH3+])c1cccc(F)c1O 238175519 573900174 /nfs/dbraw/zinc/90/01/74/573900174.db2.gz XTDADECVFAHHGG-SNVBAGLBSA-N 1 1 197.253 2.577 10 10 AFCEMO Cc1cc[nH+]c(Nc2ccc(N)cc2)c1 43561358 573849060 /nfs/dbraw/zinc/84/90/60/573849060.db2.gz DETKJUQJYAVWSD-UHFFFAOYSA-N 1 1 199.257 2.716 10 10 AFCEMO CC(C)(C)[C@H]([NH3+])c1c(O)cccc1F 238171645 573864462 /nfs/dbraw/zinc/86/44/62/573864462.db2.gz QRWSHMJNRUNURF-SNVBAGLBSA-N 1 1 197.253 2.577 10 10 AFCEMO CC[NH2+][C@H](C)c1ccc(Cl)cc1O 1261374343 1170111625 /nfs/dbraw/zinc/11/16/25/1170111625.db2.gz GSVOOFOLUBUZOD-SSDOTTSWSA-N 1 1 199.681 2.716 10 10 AFCEMO CC[NH2+][C@@H](C)c1ccc(Cl)cc1O 1261374344 1170113376 /nfs/dbraw/zinc/11/33/76/1170113376.db2.gz GSVOOFOLUBUZOD-ZETCQYMHSA-N 1 1 199.681 2.716 10 10 AFCEMO Cc1cc(C)c([C@H](C)[NH3+])c(O)c1Cl 214202575 571732954 /nfs/dbraw/zinc/73/29/54/571732954.db2.gz XWGZOMMSDSLTJQ-ZETCQYMHSA-N 1 1 199.681 2.682 10 10 AFCEMO Cc1cc(C)c([C@@H](C)[NH3+])c(O)c1Cl 214202520 571733361 /nfs/dbraw/zinc/73/33/61/571733361.db2.gz XWGZOMMSDSLTJQ-SSDOTTSWSA-N 1 1 199.681 2.682 10 10 AFCEMO CC(C)c1cc(Cl)c(O)c(C[NH3+])c1 29219389 571865216 /nfs/dbraw/zinc/86/52/16/571865216.db2.gz PRJBQIIZXQECRW-UHFFFAOYSA-N 1 1 199.681 2.628 10 10 AFCEMO Cc1cccc(Nc2ccc(N)cc2)[nH+]1 37670450 572171908 /nfs/dbraw/zinc/17/19/08/572171908.db2.gz BIUAALAHIBDPMA-UHFFFAOYSA-N 1 1 199.257 2.716 10 10 AFCEMO CC[C@H](C)[N@H+](C)c1ccc(N)cc1 20374517 572217482 /nfs/dbraw/zinc/21/74/82/572217482.db2.gz YCZNQEJEKCCVQD-VIFPVBQESA-N 1 1 178.279 2.504 10 10 AFCEMO CC[C@H](C)[N@@H+](C)c1ccc(N)cc1 20374517 572217484 /nfs/dbraw/zinc/21/74/84/572217484.db2.gz YCZNQEJEKCCVQD-VIFPVBQESA-N 1 1 178.279 2.504 10 10 AFCEMO CCC(CC)[NH2+]c1ccc(N)cc1 20381649 572219739 /nfs/dbraw/zinc/21/97/39/572219739.db2.gz ICIVIULQEYXZRB-UHFFFAOYSA-N 1 1 178.279 2.869 10 10 AFCEMO C[N@@H+](c1ccc(N)cc1)C1CCCC1 20374486 572219787 /nfs/dbraw/zinc/21/97/87/572219787.db2.gz GEGUPKMNPPWMST-UHFFFAOYSA-N 1 1 190.290 2.648 10 10 AFCEMO C[N@H+](c1ccc(N)cc1)C1CCCC1 20374486 572219790 /nfs/dbraw/zinc/21/97/90/572219790.db2.gz GEGUPKMNPPWMST-UHFFFAOYSA-N 1 1 190.290 2.648 10 10 AFCEMO C[N@H+](CCC1CC1)c1ccc(N)cc1 83926981 572459345 /nfs/dbraw/zinc/45/93/45/572459345.db2.gz QKLARZCRSZRVTI-UHFFFAOYSA-N 1 1 190.290 2.505 10 10 AFCEMO C[N@@H+](CCC1CC1)c1ccc(N)cc1 83926981 572459347 /nfs/dbraw/zinc/45/93/47/572459347.db2.gz QKLARZCRSZRVTI-UHFFFAOYSA-N 1 1 190.290 2.505 10 10 AFCEMO C[N@@H+](CC(C)(C)C)c1ccc(N)cc1 45070793 572507560 /nfs/dbraw/zinc/50/75/60/572507560.db2.gz LHJXVKSQOJJEDI-UHFFFAOYSA-N 1 1 192.306 2.751 10 10 AFCEMO C[C@H](CC1CC1)[NH2+]c1ccc(N)cc1 70101045 572638890 /nfs/dbraw/zinc/63/88/90/572638890.db2.gz SULVJRUOEVNUIW-SECBINFHSA-N 1 1 190.290 2.869 10 10 AFCEMO C[C@@H](CC1CC1)[NH2+]c1ccc(N)cc1 70101044 572640234 /nfs/dbraw/zinc/64/02/34/572640234.db2.gz SULVJRUOEVNUIW-VIFPVBQESA-N 1 1 190.290 2.869 10 10 AFCEMO C/C=C\CC[NH2+]c1ccc(N)cc1 308087169 572660865 /nfs/dbraw/zinc/66/08/65/572660865.db2.gz KHXVMGQHVFJDSS-IHWYPQMZSA-N 1 1 176.263 2.647 10 10 AFCEMO Cc1ccc(C(C)(C)[NH3+])c(O)c1Cl 75068365 572805030 /nfs/dbraw/zinc/80/50/30/572805030.db2.gz OEEKYROHMXASAS-UHFFFAOYSA-N 1 1 199.681 2.548 10 10 AFCEMO CC[N@H+](C)c1ccc2c(c1)CCCN2 88100374 573067271 /nfs/dbraw/zinc/06/72/71/573067271.db2.gz CRHABBYGORRYKL-UHFFFAOYSA-N 1 1 190.290 2.501 10 10 AFCEMO CC[N@@H+](C)c1ccc2c(c1)CCCN2 88100374 573067276 /nfs/dbraw/zinc/06/72/76/573067276.db2.gz CRHABBYGORRYKL-UHFFFAOYSA-N 1 1 190.290 2.501 10 10 AFCEMO C[C@@H]1C[C@@H](C)[N@@H+](c2ccc(N)cc2)C1 123838223 573207041 /nfs/dbraw/zinc/20/70/41/573207041.db2.gz AYMUSDGWUGGSRM-NXEZZACHSA-N 1 1 190.290 2.504 10 10 AFCEMO C[C@@H]1C[C@@H](C)[N@H+](c2ccc(N)cc2)C1 123838223 573207049 /nfs/dbraw/zinc/20/70/49/573207049.db2.gz AYMUSDGWUGGSRM-NXEZZACHSA-N 1 1 190.290 2.504 10 10 AFCEMO CC[C@@H](c1ccccc1O)[N@@H+](C)CC 132543440 573320701 /nfs/dbraw/zinc/32/07/01/573320701.db2.gz MJUJCOLLHJRDBQ-NSHDSACASA-N 1 1 193.290 2.795 10 10 AFCEMO CC[C@H](c1ccccc1O)[N@@H+](C)CC 132543635 573321440 /nfs/dbraw/zinc/32/14/40/573321440.db2.gz MJUJCOLLHJRDBQ-LLVKDONJSA-N 1 1 193.290 2.795 10 10 AFCEMO Cc1cc(Cl)c(O)c(C(C)(C)[NH3+])c1 238499098 573752988 /nfs/dbraw/zinc/75/29/88/573752988.db2.gz SEWSLAXSIMDOSS-UHFFFAOYSA-N 1 1 199.681 2.548 10 10 AFCEMO 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