smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3[N@@H+](C)C2)n1 ZINC000005419680 204130712 /nfs/dbraw/zinc/13/07/12/204130712.db2.gz WGPJQOGQDROQGQ-YVWKXTFCSA-N 1 1 377.492 2.962 40 10 in-man GFCBMO Cc1cc(C)n(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3[N@H+](C)C2)n1 ZINC000005419680 204130715 /nfs/dbraw/zinc/13/07/15/204130715.db2.gz WGPJQOGQDROQGQ-YVWKXTFCSA-N 1 1 377.492 2.962 40 10 in-man GFCBMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](Cc2cc(C)ccc2O)C3)C1 ZINC000019133560 570958560 /nfs/dbraw/zinc/95/85/60/570958560.db2.gz AWFAJEPMTBHYSR-KRWDZBQOSA-N 1 1 380.492 2.775 40 10 GFCBMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](Cc2cc(C)ccc2O)C3)C1 ZINC000019133560 570958561 /nfs/dbraw/zinc/95/85/61/570958561.db2.gz AWFAJEPMTBHYSR-KRWDZBQOSA-N 1 1 380.492 2.775 40 10 GFCBMO Fc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)ccc1N1CCCC1 ZINC000019711033 571035278 /nfs/dbraw/zinc/03/52/78/571035278.db2.gz FFEJNTCESNGZFH-KRWDZBQOSA-N 1 1 384.503 2.500 40 10 GFCBMO Cc1cc(C)n(C(=O)N[C@@H]2C[C@H]3c4cccc5c4c(cn5C)C[C@@H]3[N@@H+](C)C2)n1 ZINC000000607966 570210667 /nfs/dbraw/zinc/21/06/67/570210667.db2.gz WGPJQOGQDROQGQ-KPFFTGBYSA-N 1 1 377.492 2.962 40 10 in-man GFCBMO Cc1cc(C)n(C(=O)N[C@@H]2C[C@H]3c4cccc5c4c(cn5C)C[C@@H]3[N@H+](C)C2)n1 ZINC000000607966 570210669 /nfs/dbraw/zinc/21/06/69/570210669.db2.gz WGPJQOGQDROQGQ-KPFFTGBYSA-N 1 1 377.492 2.962 40 10 in-man GFCBMO CN1CCCc2cc(C[N@H+]3CCC[C@H](NC(=O)c4cnccn4)CC3)ccc21 ZINC000072345711 136168825 /nfs/dbraw/zinc/16/88/25/136168825.db2.gz NPSSBYVOYVWMTR-IBGZPJMESA-N 1 1 379.508 2.644 40 10 GFCBMO COc1cc2c(cc1OC)[C@]13CC[N@H+]4CC5=CCO[C@H]6CCN2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000004533263 570728790 /nfs/dbraw/zinc/72/87/90/570728790.db2.gz CUSPGBAYZUUDOF-JVLCYAJFSA-N 1 1 380.488 2.583 40 10 GFCBMO CNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)nc1C ZINC000019710145 207151978 /nfs/dbraw/zinc/15/19/78/207151978.db2.gz OHYAMFJUSRDXKI-QFIPXVFZSA-N 1 1 394.519 2.923 40 10 GFCBMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(N(C)C)cc2)CC3)CC1 ZINC000012117862 570611912 /nfs/dbraw/zinc/61/19/12/570611912.db2.gz UNXGAKPHXLLBAV-UHFFFAOYSA-N 1 1 381.524 2.631 40 10 GFCBMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)cc1 ZINC000096245399 208294739 /nfs/dbraw/zinc/29/47/39/208294739.db2.gz OSEMCSYOPGKDFZ-KDURUIRLSA-N 1 1 385.533 2.505 40 10 GFCBMO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c(O)c1 ZINC000072347353 136169085 /nfs/dbraw/zinc/16/90/85/136169085.db2.gz MBLHNEQIUBVKIP-UHFFFAOYSA-N 1 1 384.480 2.691 40 10 GFCBMO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c(O)c1 ZINC000072347353 136169086 /nfs/dbraw/zinc/16/90/86/136169086.db2.gz MBLHNEQIUBVKIP-UHFFFAOYSA-N 1 1 384.480 2.691 40 10 GFCBMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2cc(C)ccc2O)C3)CC1 ZINC000019133564 207103855 /nfs/dbraw/zinc/10/38/55/207103855.db2.gz JVKNIEWRZJRFCK-UHFFFAOYSA-N 1 1 380.492 2.775 40 10 GFCBMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2cc(C)ccc2O)C3)CC1 ZINC000019133564 207103858 /nfs/dbraw/zinc/10/38/58/207103858.db2.gz JVKNIEWRZJRFCK-UHFFFAOYSA-N 1 1 380.492 2.775 40 10 GFCBMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1O ZINC000019567197 207137075 /nfs/dbraw/zinc/13/70/75/207137075.db2.gz QYWSKEUQDRFMNE-MRXNPFEDSA-N 1 1 398.507 2.854 40 10 GFCBMO COc1cc(N2CCOCC2)c(OC)cc1C[N@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000019594919 207143464 /nfs/dbraw/zinc/14/34/64/207143464.db2.gz OLRWNLSRKLIPTL-QHCPKHFHSA-N 1 1 398.503 2.634 40 10 GFCBMO CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@H+]3Cc3cc(C)cc(C)c3O)nc2C1 ZINC000019566908 207137001 /nfs/dbraw/zinc/13/70/01/207137001.db2.gz GRYBJSYBMPVIID-LJQANCHMSA-N 1 1 396.491 2.746 40 10 GFCBMO Cc1cc(C)n(C(=O)N[C@@H]2C[C@H]3c4cccc5c4c(cn5C)C[C@H]3[N@@H+](C)C2)n1 ZINC000254133643 209042558 /nfs/dbraw/zinc/04/25/58/209042558.db2.gz WGPJQOGQDROQGQ-IMFGXOCKSA-N 1 1 377.492 2.962 40 10 GFCBMO Cc1cc(C)n(C(=O)N[C@@H]2C[C@H]3c4cccc5c4c(cn5C)C[C@H]3[N@H+](C)C2)n1 ZINC000254133643 209042561 /nfs/dbraw/zinc/04/25/61/209042561.db2.gz WGPJQOGQDROQGQ-IMFGXOCKSA-N 1 1 377.492 2.962 40 10 GFCBMO CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCC[NH+]1CCOCC1 ZINC000103918241 528065020 /nfs/dbraw/zinc/06/50/20/528065020.db2.gz WDAXCXMQNZCUCC-SILNSSARSA-N 1 1 388.487 2.914 40 10 GFCBMO CC(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@H+]3Cc3cc(C)cc(C)c3O)nc2C1 ZINC000019566905 210265460 /nfs/dbraw/zinc/26/54/60/210265460.db2.gz GRYBJSYBMPVIID-IBGZPJMESA-N 1 1 396.491 2.746 40 10 GFCBMO COc1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@]2(C1)CC=CCN(C)C2=O ZINC000257324769 212026833 /nfs/dbraw/zinc/02/68/33/212026833.db2.gz WQBXHCHRSQCYBB-HSZRJFAPSA-N 1 1 399.535 2.532 40 10 GFCBMO CN1CCCc2cc(C[N@H+]3CCC[C@@H](NC(=O)c4cnccn4)CC3)ccc21 ZINC000019749083 570898770 /nfs/dbraw/zinc/89/87/70/570898770.db2.gz NPSSBYVOYVWMTR-LJQANCHMSA-N 1 1 379.508 2.644 40 10 GFCBMO Fc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)ccc1N1CCCC1 ZINC000019711032 210286361 /nfs/dbraw/zinc/28/63/61/210286361.db2.gz FFEJNTCESNGZFH-QGZVFWFLSA-N 1 1 384.503 2.500 40 10 GFCBMO CN(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000019589882 570927798 /nfs/dbraw/zinc/92/77/98/570927798.db2.gz WNBGORVGSJSSMK-HXUWFJFHSA-N 1 1 383.544 2.581 40 10 GFCBMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)ccc1C(N)=O ZINC000019709055 210284383 /nfs/dbraw/zinc/28/43/83/210284383.db2.gz QLNSIZDWJGUYIE-NRFANRHFSA-N 1 1 380.492 2.663 40 10 GFCBMO CN(C)c1ccc(C[N@H+]2CC[C@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 ZINC000096226036 211321722 /nfs/dbraw/zinc/32/17/22/211321722.db2.gz FIBKOHHURWOLOI-NRFANRHFSA-N 1 1 379.464 2.507 40 10 GFCBMO CCOc1cccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1O ZINC000072339824 211094229 /nfs/dbraw/zinc/09/42/29/211094229.db2.gz GUEUDMUDECVDLC-UHFFFAOYSA-N 1 1 378.432 2.907 40 10 GFCBMO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)c(O)c1 ZINC000072347340 136168956 /nfs/dbraw/zinc/16/89/56/136168956.db2.gz MAQSEJNAKKLYRS-AWEZNQCLSA-N 1 1 384.480 2.691 40 10 GFCBMO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)c(O)c1 ZINC000072347340 136168957 /nfs/dbraw/zinc/16/89/57/136168957.db2.gz MAQSEJNAKKLYRS-AWEZNQCLSA-N 1 1 384.480 2.691 40 10 GFCBMO O=c1[nH]c(N2CCCC2)nc2c1CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000012184548 221163593 /nfs/dbraw/zinc/16/35/93/221163593.db2.gz OJOYJRKTSUWFKU-UHFFFAOYSA-N 1 1 376.460 2.787 40 10 GFCBMO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN21 ZINC000253396182 212136085 /nfs/dbraw/zinc/13/60/85/212136085.db2.gz DHAOXVHKSWMXNM-FQEVSTJZSA-N 1 1 379.504 2.813 40 10 biogenic,in-vitro GFCBMO CC(=O)N[C@@H]1C[C@H](c2ccc(O)c(C[NH+]3CCOCC3)c2)O[C@@H]2CCCC[C@@H]12 ZINC000257320749 570781427 /nfs/dbraw/zinc/78/14/27/570781427.db2.gz VYKUVPKQWKTIHK-YVNJGZBMSA-N 1 1 388.508 2.749 40 10 GFCBMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096081036 222377194 /nfs/dbraw/zinc/37/71/94/222377194.db2.gz QFCIEQKELPUOLF-OYRHEFFESA-N 1 1 399.560 2.646 40 10 GFCBMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)nc1C ZINC000019710146 571034038 /nfs/dbraw/zinc/03/40/38/571034038.db2.gz OHYAMFJUSRDXKI-JOCHJYFZSA-N 1 1 394.519 2.923 40 10 GFCBMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000037242635 205024036 /nfs/dbraw/zinc/02/40/36/205024036.db2.gz WUPFQEDVNYNDOH-QWHCGFSZSA-N 1 1 375.266 2.936 40 10 GFCBMO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)c(O)c1 ZINC000072347339 136169019 /nfs/dbraw/zinc/16/90/19/136169019.db2.gz MAQSEJNAKKLYRS-CQSZACIVSA-N 1 1 384.480 2.691 40 10 GFCBMO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)c(O)c1 ZINC000072347339 136169020 /nfs/dbraw/zinc/16/90/20/136169020.db2.gz MAQSEJNAKKLYRS-CQSZACIVSA-N 1 1 384.480 2.691 40 10 GFCBMO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000012183055 204378654 /nfs/dbraw/zinc/37/86/54/204378654.db2.gz CETVUDQKDJFBAO-UHFFFAOYSA-N 1 1 376.460 2.787 40 10 GFCBMO COc1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@]2(C1)CC=CCN(C)C2=O ZINC000257324770 206180510 /nfs/dbraw/zinc/18/05/10/206180510.db2.gz WQBXHCHRSQCYBB-QHCPKHFHSA-N 1 1 399.535 2.532 40 10 GFCBMO CN(C)c1ccc(C[NH+]2CC3(C2)CCN(S(=O)(=O)c2ccccc2)C3)cc1 ZINC000096202413 570219031 /nfs/dbraw/zinc/21/90/31/570219031.db2.gz QYRULVYXHAFQBD-UHFFFAOYSA-N 1 1 385.533 2.649 40 10 GFCBMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)Nc4cccnc4)=NO3)C2)cc1 ZINC000096226037 570220517 /nfs/dbraw/zinc/22/05/17/570220517.db2.gz FIBKOHHURWOLOI-OAQYLSRUSA-N 1 1 379.464 2.507 40 10 GFCBMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2O)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383279 570354151 /nfs/dbraw/zinc/35/41/51/570354151.db2.gz ROGMHDYHLMUVFC-QNWVGRARSA-N 1 1 380.488 2.985 40 10 biogenic,in-vitro GFCBMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1O ZINC000019567199 207136199 /nfs/dbraw/zinc/13/61/99/207136199.db2.gz QYWSKEUQDRFMNE-INIZCTEOSA-N 1 1 398.507 2.854 40 10 GFCBMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)ccc1C(N)=O ZINC000019709056 207149642 /nfs/dbraw/zinc/14/96/42/207149642.db2.gz QLNSIZDWJGUYIE-OAQYLSRUSA-N 1 1 380.492 2.663 40 10 GFCBMO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)CC2)cn1 ZINC000019745558 207157014 /nfs/dbraw/zinc/15/70/14/207157014.db2.gz OSQKXMKQIVUYEZ-HXUWFJFHSA-N 1 1 393.535 2.952 40 10 GFCBMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3O)n2)c1 ZINC000015674861 560231228 /nfs/dbraw/zinc/23/12/28/560231228.db2.gz OMKHAEUAKHZQLL-CVEARBPZSA-N 1 1 382.376 2.658 40 10 biogenic,in-vitro GFCBMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3O)n2)c1 ZINC000015674861 560231229 /nfs/dbraw/zinc/23/12/29/560231229.db2.gz OMKHAEUAKHZQLL-CVEARBPZSA-N 1 1 382.376 2.658 40 10 biogenic,in-vitro GFCBMO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN21 ZINC000253401567 206283557 /nfs/dbraw/zinc/28/35/57/206283557.db2.gz NHLHONICZJAUEB-SFHVURJKSA-N 1 1 397.494 2.952 40 10 biogenic,in-vitro GFCBMO COc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1O ZINC000019453717 207124244 /nfs/dbraw/zinc/12/42/44/207124244.db2.gz SGOQWGPMVPIJSO-UHFFFAOYSA-N 1 1 398.507 2.709 40 10 GFCBMO COc1cccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c1O ZINC000019453717 207124247 /nfs/dbraw/zinc/12/42/47/207124247.db2.gz SGOQWGPMVPIJSO-UHFFFAOYSA-N 1 1 398.507 2.709 40 10 GFCBMO Cc1cnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)CC2)cn1 ZINC000072345712 136168685 /nfs/dbraw/zinc/16/86/85/136168685.db2.gz OSQKXMKQIVUYEZ-FQEVSTJZSA-N 1 1 393.535 2.952 40 10 GFCBMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)c2cccnc21 ZINC000019133272 207104057 /nfs/dbraw/zinc/10/40/57/207104057.db2.gz HRILOQHOXLGDIE-KRWDZBQOSA-N 1 1 393.491 2.571 40 10 GFCBMO O=c1[nH]c(N2CCCC2)nc2c1C[N@H+](Cc1ccc(N3CCCC3)c(F)c1)CC2 ZINC000072389568 211107941 /nfs/dbraw/zinc/10/79/41/211107941.db2.gz SEUXOQLNIDNOLQ-UHFFFAOYSA-N 1 1 397.498 2.668 40 10 GFCBMO c1cc(C[N@H+]2CCCN(c3ccc4c(c3)OCCO4)CC2)nc(N2CCCC2)n1 ZINC000012143919 570615422 /nfs/dbraw/zinc/61/54/22/570615422.db2.gz NLIDTCSBSVOEFM-UHFFFAOYSA-N 1 1 395.507 2.560 40 10 GFCBMO Cc1cc(C)n(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@@H]3[N@@H+](C)C2)n1 ZINC000038424542 570579213 /nfs/dbraw/zinc/57/92/13/570579213.db2.gz WGPJQOGQDROQGQ-POAQFYNOSA-N 1 1 377.492 2.962 40 10 in-man GFCBMO Cc1cc(C)n(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@@H]3[N@H+](C)C2)n1 ZINC000038424542 570579214 /nfs/dbraw/zinc/57/92/14/570579214.db2.gz WGPJQOGQDROQGQ-POAQFYNOSA-N 1 1 377.492 2.962 40 10 in-man GFCBMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](Cc2cc(C)ccc2O)C3)C1 ZINC000019133556 210228106 /nfs/dbraw/zinc/22/81/06/210228106.db2.gz AWFAJEPMTBHYSR-QGZVFWFLSA-N 1 1 380.492 2.775 40 10 GFCBMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2cc(C)ccc2O)C3)C1 ZINC000019133556 210228109 /nfs/dbraw/zinc/22/81/09/210228109.db2.gz AWFAJEPMTBHYSR-QGZVFWFLSA-N 1 1 380.492 2.775 40 10 GFCBMO Cc1cc(N2CCCC2)ccc1C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000019570674 210268630 /nfs/dbraw/zinc/26/86/30/210268630.db2.gz AZEQPOMRQDLPRI-UHFFFAOYSA-N 1 1 393.535 2.837 40 10 GFCBMO COc1cc(/C=C2\SC(=S)N(C[NH+]3CCCC3)C2=O)cc(OC)c1OC ZINC000059474377 570657494 /nfs/dbraw/zinc/65/74/94/570657494.db2.gz PCFZTHZIJSRDDJ-GDNBJRDFSA-N 1 1 394.518 2.967 40 10 GFCBMO CN(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000019589881 570927691 /nfs/dbraw/zinc/92/76/91/570927691.db2.gz WNBGORVGSJSSMK-FQEVSTJZSA-N 1 1 383.544 2.581 40 10 GFCBMO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(O)c1 ZINC000019453703 570986319 /nfs/dbraw/zinc/98/63/19/570986319.db2.gz DKZLEPSQGYDDCD-UHFFFAOYSA-N 1 1 398.507 2.709 40 10 GFCBMO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(O)c1 ZINC000019453703 570986322 /nfs/dbraw/zinc/98/63/22/570986322.db2.gz DKZLEPSQGYDDCD-UHFFFAOYSA-N 1 1 398.507 2.709 40 10 GFCBMO COc1cc2c(cc1OC)[C@]13CC[N@H+]4CC5=CCO[C@@H]6CCN2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000004533262 570728747 /nfs/dbraw/zinc/72/87/47/570728747.db2.gz CUSPGBAYZUUDOF-CDBCOVEFSA-N 1 1 380.488 2.583 40 10 GFCBMO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000012117861 221151819 /nfs/dbraw/zinc/15/18/19/221151819.db2.gz JXAVKYZKTMOJHN-UHFFFAOYSA-N 1 1 379.508 2.529 40 10 GFCBMO COc1cc(N2CCOCC2)c(OC)cc1C[N@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000019594921 571021111 /nfs/dbraw/zinc/02/11/11/571021111.db2.gz OLRWNLSRKLIPTL-HSZRJFAPSA-N 1 1 398.503 2.634 40 10 GFCBMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)c2cccnc21 ZINC000019133268 221399119 /nfs/dbraw/zinc/39/91/19/221399119.db2.gz HRILOQHOXLGDIE-QGZVFWFLSA-N 1 1 393.491 2.571 40 10 GFCBMO