smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302776406 971315946 /nfs/dbraw/zinc/31/59/46/971315946.db2.gz FKKNRAFNGDBCHK-UHFFFAOYSA-N 1 2 407.440 3.544 20 10 HHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302776406 971315949 /nfs/dbraw/zinc/31/59/49/971315949.db2.gz FKKNRAFNGDBCHK-UHFFFAOYSA-N 1 2 407.440 3.544 20 10 HHCDLO CC1CCN(c2ccc(CNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)CC1 ZINC000303375329 971668495 /nfs/dbraw/zinc/66/84/95/971668495.db2.gz LCFMLSYVYRJWHJ-UHFFFAOYSA-N 1 2 407.562 3.918 20 10 HHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000014215429 962448354 /nfs/dbraw/zinc/44/83/54/962448354.db2.gz XWNRMEQDNMVZGA-DEOSSOPVSA-N 1 2 412.578 3.957 20 10 HHCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000014215429 962448368 /nfs/dbraw/zinc/44/83/68/962448368.db2.gz XWNRMEQDNMVZGA-DEOSSOPVSA-N 1 2 412.578 3.957 20 10 HHCDLO CCC1CCC2(CC1)NC(=O)N(C[N@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000023854931 963896185 /nfs/dbraw/zinc/89/61/85/963896185.db2.gz DTWCKRLQIGTCDG-UHFFFAOYSA-N 1 2 412.578 3.957 20 10 HHCDLO CCC1CCC2(CC1)NC(=O)N(C[N@@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000023854931 963896192 /nfs/dbraw/zinc/89/61/92/963896192.db2.gz DTWCKRLQIGTCDG-UHFFFAOYSA-N 1 2 412.578 3.957 20 10 HHCDLO C[C@H]1CCC[C@H](C)C12NC(=O)N(C[N@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000024575510 964023465 /nfs/dbraw/zinc/02/34/65/964023465.db2.gz LPQUXMUZTGYRDP-OALUTQOASA-N 1 2 412.578 3.813 20 10 HHCDLO C[C@H]1CCC[C@H](C)C12NC(=O)N(C[N@@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000024575510 964023473 /nfs/dbraw/zinc/02/34/73/964023473.db2.gz LPQUXMUZTGYRDP-OALUTQOASA-N 1 2 412.578 3.813 20 10 HHCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)CC1 ZINC000110986102 969754108 /nfs/dbraw/zinc/75/41/08/969754108.db2.gz GRSVCEPJQYDOEF-UHFFFAOYSA-N 1 2 407.558 3.708 20 10 HHCDLO Cc1cc(CC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c(C)n1-c1ccccc1 ZINC001126992351 1071818026 /nfs/dbraw/zinc/81/80/26/1071818026.db2.gz KUMMLYSARKTOEZ-UHFFFAOYSA-N 1 2 404.514 3.815 20 10 HHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCSCC5)[nH+]cn4)CC3)c2c1 ZINC000301378844 970896483 /nfs/dbraw/zinc/89/64/83/970896483.db2.gz YYXUFCYTAHDKPT-UHFFFAOYSA-N 1 2 407.543 3.813 20 10 HHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCSCC5)nc[nH+]4)CC3)c2c1 ZINC000301378844 970896500 /nfs/dbraw/zinc/89/65/00/970896500.db2.gz YYXUFCYTAHDKPT-UHFFFAOYSA-N 1 2 407.543 3.813 20 10 HHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000303729306 971982255 /nfs/dbraw/zinc/98/22/55/971982255.db2.gz YSBKQCGQVZWHJU-UHFFFAOYSA-N 1 2 411.390 3.528 20 10 HHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000303729306 971982262 /nfs/dbraw/zinc/98/22/62/971982262.db2.gz YSBKQCGQVZWHJU-UHFFFAOYSA-N 1 2 411.390 3.528 20 10 HHCDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000261466334 970703214 /nfs/dbraw/zinc/70/32/14/970703214.db2.gz YPEZGLKJSASORV-UHFFFAOYSA-N 1 2 403.486 3.956 20 10 HHCDLO Oc1cc(F)c(F)cc1CN1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001142512624 1072408855 /nfs/dbraw/zinc/40/88/55/1072408855.db2.gz GMNQFOXROMDVMQ-MRXNPFEDSA-N 1 2 424.245 3.654 20 10 HHCDLO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)cc(Br)c1O ZINC000757698830 1072623913 /nfs/dbraw/zinc/62/39/13/1072623913.db2.gz UBKBIUMUTCPRAS-QMMMGPOBSA-N 1 2 409.118 3.719 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000760870640 1074493256 /nfs/dbraw/zinc/49/32/56/1074493256.db2.gz VVTJBDVVNKGECG-XMMPIXPASA-N 1 2 420.557 3.764 20 10 HHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000301835221 971080696 /nfs/dbraw/zinc/08/06/96/971080696.db2.gz UCRDOGFWXKQXPF-UHFFFAOYSA-N 1 2 407.440 3.766 20 10 HHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000301835221 971080702 /nfs/dbraw/zinc/08/07/02/971080702.db2.gz UCRDOGFWXKQXPF-UHFFFAOYSA-N 1 2 407.440 3.766 20 10 HHCDLO OC[C@H]1CCCCN1c1cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH+]cn1 ZINC000302778682 971316520 /nfs/dbraw/zinc/31/65/20/971316520.db2.gz HHCAKMGLWMXUIR-GOSISDBHSA-N 1 2 407.493 3.742 20 10 HHCDLO OC[C@H]1CCCCN1c1cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)nc[nH+]1 ZINC000302778682 971316528 /nfs/dbraw/zinc/31/65/28/971316528.db2.gz HHCAKMGLWMXUIR-GOSISDBHSA-N 1 2 407.493 3.742 20 10 HHCDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000303187295 971549485 /nfs/dbraw/zinc/54/94/85/971549485.db2.gz VSYQTJAZIIFQOV-UHFFFAOYSA-N 1 2 404.457 3.632 20 10 HHCDLO CC1CCN(c2ccc(CNC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC000303385141 971675383 /nfs/dbraw/zinc/67/53/83/971675383.db2.gz NLXNRGHGCPYSIM-UHFFFAOYSA-N 1 2 407.562 3.786 20 10 HHCDLO OCC1CCN(c2ccc(CNc3[nH+]cnc4c3cnn4-c3ccccc3)cc2)CC1 ZINC000052446627 964912398 /nfs/dbraw/zinc/91/23/98/964912398.db2.gz NCVZSBRCHCMRED-UHFFFAOYSA-N 1 2 414.513 3.636 20 10 HHCDLO O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000028964157 965227021 /nfs/dbraw/zinc/22/70/21/965227021.db2.gz CBEYRQNTENSMGI-GDNBJRDFSA-N 1 2 417.383 3.917 20 10 HHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCCOc1ccc(Cl)cc1 ZINC000096970913 969067349 /nfs/dbraw/zinc/06/73/49/969067349.db2.gz NGYYMPJVWHNHFR-UHFFFAOYSA-N 1 2 414.889 3.836 20 10 HHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCCOc1ccc(Cl)cc1 ZINC000096970913 969067362 /nfs/dbraw/zinc/06/73/62/969067362.db2.gz NGYYMPJVWHNHFR-UHFFFAOYSA-N 1 2 414.889 3.836 20 10 HHCDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC001168331693 1072510279 /nfs/dbraw/zinc/51/02/79/1072510279.db2.gz ORBSNRUYOXVHSX-QGZVFWFLSA-N 1 2 401.938 3.566 20 10 HHCDLO C[N@H+](CCc1ccncc1)Cc1cc(Br)cc(Br)c1O ZINC000757886994 1073411512 /nfs/dbraw/zinc/41/15/12/1073411512.db2.gz IIKZXNFGFRFKPM-UHFFFAOYSA-N 1 2 400.114 3.987 20 10 HHCDLO C[N@@H+](CCc1ccncc1)Cc1cc(Br)cc(Br)c1O ZINC000757886994 1073411516 /nfs/dbraw/zinc/41/15/16/1073411516.db2.gz IIKZXNFGFRFKPM-UHFFFAOYSA-N 1 2 400.114 3.987 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1ccccc1C ZINC000760878766 1074502066 /nfs/dbraw/zinc/50/20/66/1074502066.db2.gz LRNMPSZXWBGDFP-XMMPIXPASA-N 1 2 420.557 3.764 20 10 HHCDLO Cn1cc[nH+]c1C[C@H](c1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761203319 1075594417 /nfs/dbraw/zinc/59/44/17/1075594417.db2.gz HFLDJQTWFLJYLP-GOSISDBHSA-N 1 2 424.888 3.527 20 10 HHCDLO COc1cc(N2CC[NH+](Cc3cc(C)ccc3OC(F)F)CC2)cc(OC)c1OC ZINC000761218896 1075636734 /nfs/dbraw/zinc/63/67/34/1075636734.db2.gz LIFUUWHSUOSVPB-UHFFFAOYSA-N 1 2 422.472 3.944 20 10 HHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301264358 970841624 /nfs/dbraw/zinc/84/16/24/970841624.db2.gz SYYOMIHPJSJSOW-UHFFFAOYSA-N 1 2 421.467 3.934 20 10 HHCDLO FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301264358 970841628 /nfs/dbraw/zinc/84/16/28/970841628.db2.gz SYYOMIHPJSJSOW-UHFFFAOYSA-N 1 2 421.467 3.934 20 10 HHCDLO c1nn(-c2ccccc2)c2nc[nH+]c(NCc3ccc(N4CCSCC4)cc3)c12 ZINC000052428589 964903040 /nfs/dbraw/zinc/90/30/40/964903040.db2.gz QWWWFNRRXKWUKV-UHFFFAOYSA-N 1 2 402.527 3.981 20 10 HHCDLO Cc1cccn2cc(CC(=O)N(Cc3ccc(N(C)C)cc3)CC(F)(F)F)[nH+]c12 ZINC000261385415 970641430 /nfs/dbraw/zinc/64/14/30/970641430.db2.gz HIPAMSJWAMKGIC-UHFFFAOYSA-N 1 2 404.436 3.842 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)ccc21 ZINC000505549160 1000894988 /nfs/dbraw/zinc/89/49/88/1000894988.db2.gz IZDISGAIKABOBK-QFIPXVFZSA-N 1 2 409.505 3.830 20 10 HHCDLO O=C(Nc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1)C1=S=CC=C1 ZINC000545687643 1008780197 /nfs/dbraw/zinc/78/01/97/1008780197.db2.gz NDLPSVXQRJKYDR-UHFFFAOYSA-N 1 2 413.462 3.805 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000521091385 1010108540 /nfs/dbraw/zinc/10/85/40/1010108540.db2.gz MNCOMVZFKAKIAE-GOSISDBHSA-N 1 2 403.530 3.769 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000521091385 1010108544 /nfs/dbraw/zinc/10/85/44/1010108544.db2.gz MNCOMVZFKAKIAE-GOSISDBHSA-N 1 2 403.530 3.769 20 10 HHCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@H](C)O1 ZINC000542014875 1012902174 /nfs/dbraw/zinc/90/21/74/1012902174.db2.gz KPOIEQCZQAGJOB-ROUUACIJSA-N 1 2 424.545 3.793 20 10 HHCDLO C[C@H](c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1)[NH+]1CCOCC1 ZINC000542024232 1012917931 /nfs/dbraw/zinc/91/79/31/1012917931.db2.gz OIXNGSHDFAFELD-QGZVFWFLSA-N 1 2 410.518 3.577 20 10 HHCDLO CCOc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC001168332410 1072511350 /nfs/dbraw/zinc/51/13/50/1072511350.db2.gz YJYSPXLMEYSYBV-OAQYLSRUSA-N 1 2 417.912 3.805 20 10 HHCDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4cc(Cl)cc(OC)c4O)C3)nn2)cc1 ZINC000761216464 1075633352 /nfs/dbraw/zinc/63/33/52/1075633352.db2.gz XXRPBVWQIOLUFH-UHFFFAOYSA-N 1 2 414.893 3.768 20 10 HHCDLO CCOc1ccc(N2CC[NH+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC001168332409 1072511316 /nfs/dbraw/zinc/51/13/16/1072511316.db2.gz YJYSPXLMEYSYBV-NRFANRHFSA-N 1 2 417.912 3.805 20 10 HHCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000760890670 1074525750 /nfs/dbraw/zinc/52/57/50/1074525750.db2.gz YBDVANWTONMSLY-CUOATXAZSA-N 1 2 423.145 3.762 20 10 HHCDLO OC[C@@H]1CCCN(c2cc(N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)nc[nH+]2)C1 ZINC000301229989 970822184 /nfs/dbraw/zinc/82/21/84/970822184.db2.gz HEXIEMDMVQBOJU-MRXNPFEDSA-N 1 2 407.493 3.599 20 10 HHCDLO OC[C@@H]1CCCN(c2cc(N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)[nH+]cn2)C1 ZINC000301229989 970822188 /nfs/dbraw/zinc/82/21/88/970822188.db2.gz HEXIEMDMVQBOJU-MRXNPFEDSA-N 1 2 407.493 3.599 20 10 HHCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3nc4ccc(F)cc4s3)CC2)cc1 ZINC000303461289 971764980 /nfs/dbraw/zinc/76/49/80/971764980.db2.gz FXISJFGIUVDXPG-UHFFFAOYSA-N 1 2 414.506 3.595 20 10 HHCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3nc4ccc(F)cc4s3)CC2)cc1 ZINC000303461289 971764985 /nfs/dbraw/zinc/76/49/85/971764985.db2.gz FXISJFGIUVDXPG-UHFFFAOYSA-N 1 2 414.506 3.595 20 10 HHCDLO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1 ZINC000014215443 962448213 /nfs/dbraw/zinc/44/82/13/962448213.db2.gz QSNMYVYFJCSDTA-IBGZPJMESA-N 1 2 406.530 3.924 20 10 HHCDLO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1 ZINC000014215443 962448221 /nfs/dbraw/zinc/44/82/21/962448221.db2.gz QSNMYVYFJCSDTA-IBGZPJMESA-N 1 2 406.530 3.924 20 10 HHCDLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000140405673 970075987 /nfs/dbraw/zinc/07/59/87/970075987.db2.gz HPTOKRDSBFRPBG-QGZVFWFLSA-N 1 2 400.486 3.825 20 10 HHCDLO Cc1ccc(-c2n[nH]c(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)o1 ZINC000444823181 986978234 /nfs/dbraw/zinc/97/82/34/986978234.db2.gz OTRJDAIHRLZBIN-UHFFFAOYSA-N 1 2 418.501 3.733 20 10 HHCDLO Cc1ccc(-c2n[nH]c(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n2)o1 ZINC000444823181 986978237 /nfs/dbraw/zinc/97/82/37/986978237.db2.gz OTRJDAIHRLZBIN-UHFFFAOYSA-N 1 2 418.501 3.733 20 10 HHCDLO Cc1nc(NCc2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2)cc[nH+]1 ZINC000543590211 1009197039 /nfs/dbraw/zinc/19/70/39/1009197039.db2.gz DJSBDTNTGGWYMV-UHFFFAOYSA-N 1 2 403.486 3.502 20 10 HHCDLO C[C@@H]([NH2+]CCC1(C)OCCO1)c1cc(Br)cc(Br)c1O ZINC000760883660 1074483178 /nfs/dbraw/zinc/48/31/78/1074483178.db2.gz RBOSOZWRKRYXSA-SECBINFHSA-N 1 2 409.118 3.721 20 10 HHCDLO COc1cc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000761220868 1075648074 /nfs/dbraw/zinc/64/80/74/1075648074.db2.gz ZNGSSLXAXNJVEY-SNAWJCMRSA-N 1 2 404.457 3.826 20 10 HHCDLO CCOCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1 ZINC000303324530 971630551 /nfs/dbraw/zinc/63/05/51/971630551.db2.gz VOEABPLZSDBGOH-UHFFFAOYSA-N 1 2 421.944 3.723 20 10 HHCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000007354541 961139195 /nfs/dbraw/zinc/13/91/95/961139195.db2.gz WDTSUXRTNBKYSO-OAHLLOKOSA-N 1 2 409.446 3.537 20 10 HHCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472270550 993292701 /nfs/dbraw/zinc/29/27/01/993292701.db2.gz AJRHYVIRTIDLCG-UHFFFAOYSA-N 1 2 420.561 3.740 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000483032542 995931744 /nfs/dbraw/zinc/93/17/44/995931744.db2.gz ZOROZKLLZZMOAM-UHFFFAOYSA-N 1 2 406.530 3.698 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000521091387 1010108251 /nfs/dbraw/zinc/10/82/51/1010108251.db2.gz MNCOMVZFKAKIAE-SFHVURJKSA-N 1 2 403.530 3.769 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000521091387 1010108267 /nfs/dbraw/zinc/10/82/67/1010108267.db2.gz MNCOMVZFKAKIAE-SFHVURJKSA-N 1 2 403.530 3.769 20 10 HHCDLO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000757920880 1074070594 /nfs/dbraw/zinc/07/05/94/1074070594.db2.gz SMYBKIXXPQVXHU-CQSZACIVSA-N 1 2 409.118 3.739 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000760870637 1074493267 /nfs/dbraw/zinc/49/32/67/1074493267.db2.gz VVTJBDVVNKGECG-DEOSSOPVSA-N 1 2 420.557 3.764 20 10 HHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC[C@@H]5CO)nc[nH+]4)CC3)c2c1 ZINC000302090164 971173441 /nfs/dbraw/zinc/17/34/41/971173441.db2.gz GJSAOEUXFJDFDV-GOSISDBHSA-N 1 2 419.529 3.611 20 10 HHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC[C@@H]5CO)[nH+]cn4)CC3)c2c1 ZINC000302090164 971173446 /nfs/dbraw/zinc/17/34/46/971173446.db2.gz GJSAOEUXFJDFDV-GOSISDBHSA-N 1 2 419.529 3.611 20 10 HHCDLO Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019429603 963364779 /nfs/dbraw/zinc/36/47/79/963364779.db2.gz JENYAIHXQPGDRZ-UHFFFAOYSA-N 1 2 422.554 3.650 20 10 HHCDLO CC(C)c1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc(C(C)C)[nH+]1 ZINC000761218745 1075636744 /nfs/dbraw/zinc/63/67/44/1075636744.db2.gz MQIZQRRFDVXVSL-UHFFFAOYSA-N 1 2 402.564 3.570 20 10 HHCDLO CS(=O)(=O)c1ccc(Nc2ccc([NH2+]C3CCCCC3)cc2)c(S(C)(=O)=O)c1 ZINC000301146251 970770938 /nfs/dbraw/zinc/77/09/38/970770938.db2.gz GMGGMBUKPIHWDH-UHFFFAOYSA-N 1 2 422.572 3.982 20 10 HHCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000007354539 961139783 /nfs/dbraw/zinc/13/97/83/961139783.db2.gz WDTSUXRTNBKYSO-HNNXBMFYSA-N 1 2 409.446 3.537 20 10 HHCDLO CCOC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000096970810 969067550 /nfs/dbraw/zinc/06/75/50/969067550.db2.gz BXCGEKJQGUHBDI-UHFFFAOYSA-N 1 2 408.454 3.803 20 10 HHCDLO CCOC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000096970810 969067559 /nfs/dbraw/zinc/06/75/59/969067559.db2.gz BXCGEKJQGUHBDI-UHFFFAOYSA-N 1 2 408.454 3.803 20 10 HHCDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000237390939 970275671 /nfs/dbraw/zinc/27/56/71/970275671.db2.gz OLWKEVRMHUCETC-CQSZACIVSA-N 1 2 400.429 3.702 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000026858809 964698722 /nfs/dbraw/zinc/69/87/22/964698722.db2.gz XESKRXFEJXPQTP-UHFFFAOYSA-N 1 2 405.336 3.804 20 10 HHCDLO Cc1c2ccccc2n(C)c1CNc1ccc(N2CCN(C(=O)C3CC3)CC2)[nH+]c1 ZINC000489980160 999872501 /nfs/dbraw/zinc/87/25/01/999872501.db2.gz QIJSVSKCZOWAEE-UHFFFAOYSA-N 1 2 403.530 3.552 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)ccc21 ZINC000505549159 1000894670 /nfs/dbraw/zinc/89/46/70/1000894670.db2.gz IZDISGAIKABOBK-JOCHJYFZSA-N 1 2 409.505 3.830 20 10 HHCDLO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncc(C(F)(F)F)[nH]2)C1 ZINC000506919250 1001593028 /nfs/dbraw/zinc/59/30/28/1001593028.db2.gz VWRWGDZQRJNAIY-UHFFFAOYSA-N 1 2 405.424 3.788 20 10 HHCDLO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncc(C(F)(F)F)[nH]2)C1 ZINC000506919250 1001593033 /nfs/dbraw/zinc/59/30/33/1001593033.db2.gz VWRWGDZQRJNAIY-UHFFFAOYSA-N 1 2 405.424 3.788 20 10 HHCDLO C[C@H]([NH2+]CCC1(C)OCCO1)c1cc(Br)cc(Br)c1O ZINC000760883662 1074483162 /nfs/dbraw/zinc/48/31/62/1074483162.db2.gz RBOSOZWRKRYXSA-VIFPVBQESA-N 1 2 409.118 3.721 20 10 HHCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000760890675 1074525589 /nfs/dbraw/zinc/52/55/89/1074525589.db2.gz YBDVANWTONMSLY-QCZZGDTMSA-N 1 2 423.145 3.762 20 10 HHCDLO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC000761201889 1075592348 /nfs/dbraw/zinc/59/23/48/1075592348.db2.gz HUMUONPNTXDQIK-SFHVURJKSA-N 1 2 416.905 3.982 20 10 HHCDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC000761201889 1075592350 /nfs/dbraw/zinc/59/23/50/1075592350.db2.gz HUMUONPNTXDQIK-SFHVURJKSA-N 1 2 416.905 3.982 20 10 HHCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCCc1nc2ccccc2s1 ZINC000096970898 969067654 /nfs/dbraw/zinc/06/76/54/969067654.db2.gz ADTIRPDSXLVSJG-UHFFFAOYSA-N 1 2 421.522 3.956 20 10 HHCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCCc1nc2ccccc2s1 ZINC000096970898 969067661 /nfs/dbraw/zinc/06/76/61/969067661.db2.gz ADTIRPDSXLVSJG-UHFFFAOYSA-N 1 2 421.522 3.956 20 10 HHCDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)n2)c1 ZINC000237575905 970315926 /nfs/dbraw/zinc/31/59/26/970315926.db2.gz FVHHQRMNULNQFI-OAHLLOKOSA-N 1 2 412.465 3.572 20 10 HHCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@H](C)O1 ZINC000542014873 1012901628 /nfs/dbraw/zinc/90/16/28/1012901628.db2.gz KPOIEQCZQAGJOB-HDICACEKSA-N 1 2 424.545 3.793 20 10 HHCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@H](C)O1 ZINC000542014873 1012901640 /nfs/dbraw/zinc/90/16/40/1012901640.db2.gz KPOIEQCZQAGJOB-HDICACEKSA-N 1 2 424.545 3.793 20 10 HHCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1O ZINC000761196231 1075585111 /nfs/dbraw/zinc/58/51/11/1075585111.db2.gz YXMOITXEFYEUMH-UHFFFAOYSA-N 1 2 421.328 3.673 20 10 HHCDLO COc1cc(OC)cc([C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)c2nccn2C)c1 ZINC000761215379 1075629145 /nfs/dbraw/zinc/62/91/45/1075629145.db2.gz KZGHGOAZKHUFQP-IBGZPJMESA-N 1 2 417.893 3.684 20 10 HHCDLO FC(F)Oc1ccc(N2CCC[C@H](Nc3cc(N4CCSCC4)nc[nH+]3)C2)cc1 ZINC000302879554 971369492 /nfs/dbraw/zinc/36/94/92/971369492.db2.gz HANXOPLYFOANTO-HNNXBMFYSA-N 1 2 421.517 3.712 20 10 HHCDLO FC(F)Oc1ccc(N2CCC[C@H](Nc3cc(N4CCSCC4)[nH+]cn3)C2)cc1 ZINC000302879554 971369501 /nfs/dbraw/zinc/36/95/01/971369501.db2.gz HANXOPLYFOANTO-HNNXBMFYSA-N 1 2 421.517 3.712 20 10 HHCDLO COCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000302912329 971388670 /nfs/dbraw/zinc/38/86/70/971388670.db2.gz DVBXCLXGBXPUFR-UHFFFAOYSA-N 1 2 423.479 3.560 20 10 HHCDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2F)C[C@H](C)O1 ZINC000108458392 969386508 /nfs/dbraw/zinc/38/65/08/969386508.db2.gz YLNSZFSJEHDYDH-ROUUACIJSA-N 1 2 422.504 3.614 20 10 HHCDLO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000445156832 987246331 /nfs/dbraw/zinc/24/63/31/987246331.db2.gz HESONQVBDJMNSL-UHFFFAOYSA-N 1 2 414.513 3.832 20 10 HHCDLO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000445156832 987246339 /nfs/dbraw/zinc/24/63/39/987246339.db2.gz HESONQVBDJMNSL-UHFFFAOYSA-N 1 2 414.513 3.832 20 10 HHCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC001168331692 1072510164 /nfs/dbraw/zinc/51/01/64/1072510164.db2.gz ORBSNRUYOXVHSX-KRWDZBQOSA-N 1 2 401.938 3.566 20 10 HHCDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(C)n1-c1ccccc1Br ZINC000303512397 971811814 /nfs/dbraw/zinc/81/18/14/971811814.db2.gz BMZBXIZRKFJJHV-UHFFFAOYSA-N 1 2 401.308 3.873 20 10 HHCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000760890668 1074525641 /nfs/dbraw/zinc/52/56/41/1074525641.db2.gz YBDVANWTONMSLY-BIGNPOOSSA-N 1 2 423.145 3.762 20 10 HHCDLO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC000761201887 1075592399 /nfs/dbraw/zinc/59/23/99/1075592399.db2.gz HUMUONPNTXDQIK-GOSISDBHSA-N 1 2 416.905 3.982 20 10 HHCDLO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC000761201887 1075592402 /nfs/dbraw/zinc/59/24/02/1075592402.db2.gz HUMUONPNTXDQIK-GOSISDBHSA-N 1 2 416.905 3.982 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@@H](c4ccccc4OC)C3)ccc21 ZINC000505454218 1000784709 /nfs/dbraw/zinc/78/47/09/1000784709.db2.gz UZTABKHJBBVOCC-JOCHJYFZSA-N 1 2 421.541 3.700 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000760879203 1074501058 /nfs/dbraw/zinc/50/10/58/1074501058.db2.gz OHDZRCIBZXPTSP-HSZRJFAPSA-N 1 2 424.520 3.595 20 10 HHCDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000761201883 1075586017 /nfs/dbraw/zinc/58/60/17/1075586017.db2.gz HTRLRNWGPJIDSW-KRWDZBQOSA-N 1 2 404.894 3.974 20 10 HHCDLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000761201883 1075586020 /nfs/dbraw/zinc/58/60/20/1075586020.db2.gz HTRLRNWGPJIDSW-KRWDZBQOSA-N 1 2 404.894 3.974 20 10 HHCDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)c2nccn2C)c1 ZINC000761215382 1075629101 /nfs/dbraw/zinc/62/91/01/1075629101.db2.gz KZGHGOAZKHUFQP-LJQANCHMSA-N 1 2 417.893 3.684 20 10 HHCDLO CSc1cccc(-n2c(C)cc(C(=O)C[NH+]3CCC(N(C)C(C)=O)CC3)c2C)c1 ZINC000110986184 969754339 /nfs/dbraw/zinc/75/43/39/969754339.db2.gz GHEBGMOXWRECEU-UHFFFAOYSA-N 1 2 413.587 3.941 20 10 HHCDLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000140405504 970075739 /nfs/dbraw/zinc/07/57/39/970075739.db2.gz HPTOKRDSBFRPBG-KRWDZBQOSA-N 1 2 400.486 3.825 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH+](Cc4cccs4)CC3)ccc21 ZINC000484883165 997248784 /nfs/dbraw/zinc/24/87/84/997248784.db2.gz UPXNZTZCMOUYER-UHFFFAOYSA-N 1 2 411.571 3.924 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(F)c1 ZINC000760878583 1074499045 /nfs/dbraw/zinc/49/90/45/1074499045.db2.gz IXAUSEUSXLDYID-HSZRJFAPSA-N 1 2 424.520 3.595 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000760879204 1074501067 /nfs/dbraw/zinc/50/10/67/1074501067.db2.gz OHDZRCIBZXPTSP-QHCPKHFHSA-N 1 2 424.520 3.595 20 10 HHCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000760890673 1074525698 /nfs/dbraw/zinc/52/56/98/1074525698.db2.gz YBDVANWTONMSLY-OWYVNGRQSA-N 1 2 423.145 3.762 20 10 HHCDLO COc1cc(Cl)cc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1O ZINC000761216145 1075631322 /nfs/dbraw/zinc/63/13/22/1075631322.db2.gz MIXIJLIMVXXJDB-UHFFFAOYSA-N 1 2 423.698 3.892 20 10 HHCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1Br)OCO2 ZINC000016387235 963029240 /nfs/dbraw/zinc/02/92/40/963029240.db2.gz LBEAVEXPSOOVGF-UHFFFAOYSA-N 1 2 419.319 3.646 20 10 HHCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1Br)OCO2 ZINC000016387235 963029253 /nfs/dbraw/zinc/02/92/53/963029253.db2.gz LBEAVEXPSOOVGF-UHFFFAOYSA-N 1 2 419.319 3.646 20 10 HHCDLO OC1CCN(c2ccc(CNc3[nH+]cnc4c3cnn4-c3ccccc3)cc2F)CC1 ZINC000052457648 964913644 /nfs/dbraw/zinc/91/36/44/964913644.db2.gz IELMXDJOHQQYBR-UHFFFAOYSA-N 1 2 418.476 3.528 20 10 HHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420542 1072335951 /nfs/dbraw/zinc/33/59/51/1072335951.db2.gz HCWVUGBTEFNZND-RDTXWAMCSA-N 1 2 408.539 3.509 20 10 HHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420542 1072335966 /nfs/dbraw/zinc/33/59/66/1072335966.db2.gz HCWVUGBTEFNZND-RDTXWAMCSA-N 1 2 408.539 3.509 20 10 HHCDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1O ZINC000761191035 1075576153 /nfs/dbraw/zinc/57/61/53/1075576153.db2.gz HRMZRQBKTQEVLB-UHFFFAOYSA-N 1 2 409.313 3.595 20 10 HHCDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000761201885 1075585947 /nfs/dbraw/zinc/58/59/47/1075585947.db2.gz HTRLRNWGPJIDSW-QGZVFWFLSA-N 1 2 404.894 3.974 20 10 HHCDLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000761201885 1075585951 /nfs/dbraw/zinc/58/59/51/1075585951.db2.gz HTRLRNWGPJIDSW-QGZVFWFLSA-N 1 2 404.894 3.974 20 10 HHCDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000303067810 971487264 /nfs/dbraw/zinc/48/72/64/971487264.db2.gz ZEYXTYIJMOTLHE-UHFFFAOYSA-N 1 2 424.589 3.502 20 10 HHCDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000303067810 971487269 /nfs/dbraw/zinc/48/72/69/971487269.db2.gz ZEYXTYIJMOTLHE-UHFFFAOYSA-N 1 2 424.589 3.502 20 10 HHCDLO O=C1/C(=C/c2ccccc2C(F)(F)F)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000028964168 965226843 /nfs/dbraw/zinc/22/68/43/965226843.db2.gz UOZNINARMQJGBF-QINSGFPZSA-N 1 2 416.490 3.629 20 10 HHCDLO Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000471219152 989362894 /nfs/dbraw/zinc/36/28/94/989362894.db2.gz GQAXESIZZOTFHO-UHFFFAOYSA-N 1 2 415.497 3.642 20 10 HHCDLO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000481604947 994455623 /nfs/dbraw/zinc/45/56/23/994455623.db2.gz MZXYPJFSCNISRN-GOSISDBHSA-N 1 2 404.283 3.705 20 10 HHCDLO OC[C@H]1CCCN(c2cc(N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)nc[nH+]2)C1 ZINC000301229987 970822279 /nfs/dbraw/zinc/82/22/79/970822279.db2.gz HEXIEMDMVQBOJU-INIZCTEOSA-N 1 2 407.493 3.599 20 10 HHCDLO OC[C@H]1CCCN(c2cc(N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)[nH+]cn2)C1 ZINC000301229987 970822284 /nfs/dbraw/zinc/82/22/84/970822284.db2.gz HEXIEMDMVQBOJU-INIZCTEOSA-N 1 2 407.493 3.599 20 10 HHCDLO OC[C@@H]1CCCCN1c1cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH+]cn1 ZINC000302778685 971316643 /nfs/dbraw/zinc/31/66/43/971316643.db2.gz HHCAKMGLWMXUIR-SFHVURJKSA-N 1 2 407.493 3.742 20 10 HHCDLO OC[C@@H]1CCCCN1c1cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)nc[nH+]1 ZINC000302778685 971316647 /nfs/dbraw/zinc/31/66/47/971316647.db2.gz HHCAKMGLWMXUIR-SFHVURJKSA-N 1 2 407.493 3.742 20 10 HHCDLO COc1cc(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)cc(OC)c1OC ZINC000761219985 1075641553 /nfs/dbraw/zinc/64/15/53/1075641553.db2.gz QZUJJQGPCSDYKR-UHFFFAOYSA-N 1 2 403.548 3.759 20 10 HHCDLO COc1ccc(N2CC[NH+](Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000105365391 969234553 /nfs/dbraw/zinc/23/45/53/969234553.db2.gz IQCYRTORCTZVEE-UHFFFAOYSA-N 1 2 423.416 3.536 20 10 HHCDLO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CCC2 ZINC000760891443 1074533971 /nfs/dbraw/zinc/53/39/71/1074533971.db2.gz ITFSWCIQMCXLGH-ZBEGNZNMSA-N 1 2 412.303 3.865 20 10 HHCDLO c1nc2c(n1CCc1ccccc1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000761214028 1075615000 /nfs/dbraw/zinc/61/50/00/1075615000.db2.gz BRWVQLVGZURCAE-UHFFFAOYSA-N 1 2 402.542 3.521 20 10 HHCDLO c1nc2c(n1CCc1ccccc1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000761214028 1075615003 /nfs/dbraw/zinc/61/50/03/1075615003.db2.gz BRWVQLVGZURCAE-UHFFFAOYSA-N 1 2 402.542 3.521 20 10 HHCDLO CCN(CC)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000303310693 971619757 /nfs/dbraw/zinc/61/97/57/971619757.db2.gz FNUPFSKBWTWVQA-UHFFFAOYSA-N 1 2 411.437 3.696 20 10 HHCDLO COc1ccc(N2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)cc1 ZINC000007354517 961139222 /nfs/dbraw/zinc/13/92/22/961139222.db2.gz BZYLTQCSRDXLDA-UHFFFAOYSA-N 1 2 405.292 3.509 20 10 HHCDLO CC[C@]1(c2ccccc2)NC(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000023854923 963895857 /nfs/dbraw/zinc/89/58/57/963895857.db2.gz OIOKJOGIPZTGLY-RUZDIDTESA-N 1 2 420.557 3.924 20 10 HHCDLO CC[C@]1(c2ccccc2)NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000023854923 963895862 /nfs/dbraw/zinc/89/58/62/963895862.db2.gz OIOKJOGIPZTGLY-RUZDIDTESA-N 1 2 420.557 3.924 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000434091355 979839658 /nfs/dbraw/zinc/83/96/58/979839658.db2.gz DILQSYDKXTWROH-LJQANCHMSA-N 1 2 403.530 3.911 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000434091355 979839677 /nfs/dbraw/zinc/83/96/77/979839677.db2.gz DILQSYDKXTWROH-LJQANCHMSA-N 1 2 403.530 3.911 20 10 HHCDLO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000481604948 994455471 /nfs/dbraw/zinc/45/54/71/994455471.db2.gz MZXYPJFSCNISRN-SFHVURJKSA-N 1 2 404.283 3.705 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc21 ZINC000482490295 995500058 /nfs/dbraw/zinc/50/00/58/995500058.db2.gz TVMIMQPCJUFPNM-UHFFFAOYSA-N 1 2 406.530 3.830 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)ccc21 ZINC000483443688 996183087 /nfs/dbraw/zinc/18/30/87/996183087.db2.gz VNDOPFPFXQENCD-UHFFFAOYSA-N 1 2 421.541 3.989 20 10 HHCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001142534815 1072428955 /nfs/dbraw/zinc/42/89/55/1072428955.db2.gz XSJAXBGRWBQNDP-UHFFFAOYSA-N 1 2 411.452 3.967 20 10 HHCDLO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)cc(Br)c1O ZINC000757698829 1072623876 /nfs/dbraw/zinc/62/38/76/1072623876.db2.gz UBKBIUMUTCPRAS-MRVPVSSYSA-N 1 2 409.118 3.719 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1ccccc1C ZINC000760878765 1074502022 /nfs/dbraw/zinc/50/20/22/1074502022.db2.gz LRNMPSZXWBGDFP-DEOSSOPVSA-N 1 2 420.557 3.764 20 10 HHCDLO O=C1/C(=C\c2csc(Cl)c2Cl)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000760989754 1074806830 /nfs/dbraw/zinc/80/68/30/1074806830.db2.gz PXLVULHHHFYZHA-DHZHZOJOSA-N 1 2 423.412 3.978 20 10 HHCDLO COc1cc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000761220867 1075648123 /nfs/dbraw/zinc/64/81/23/1075648123.db2.gz ZNGSSLXAXNJVEY-PLNGDYQASA-N 1 2 404.457 3.826 20 10 HHCDLO COc1cc(Br)cc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC000761225989 1075663498 /nfs/dbraw/zinc/66/34/98/1075663498.db2.gz LOEGXXZXSPUUFT-UHFFFAOYSA-N 1 2 411.262 3.622 20 10 HHCDLO COc1cc(Br)cc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC000761225989 1075663502 /nfs/dbraw/zinc/66/35/02/1075663502.db2.gz LOEGXXZXSPUUFT-UHFFFAOYSA-N 1 2 411.262 3.622 20 10 HHCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000116581871 969906058 /nfs/dbraw/zinc/90/60/58/969906058.db2.gz VTIWOGUTXPMGAQ-XMMPIXPASA-N 1 2 418.541 3.819 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)ccc21 ZINC000431927537 978606175 /nfs/dbraw/zinc/60/61/75/978606175.db2.gz YRRVBOHJLBFJES-UHFFFAOYSA-N 1 2 422.529 3.697 20 10 HHCDLO C[C@@H](c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1)[NH+]1CCOCC1 ZINC000542024230 1012917383 /nfs/dbraw/zinc/91/73/83/1012917383.db2.gz OIXNGSHDFAFELD-KRWDZBQOSA-N 1 2 410.518 3.577 20 10 HHCDLO Cn1cc[nH+]c1C[C@@H](c1ccccc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761203321 1075594406 /nfs/dbraw/zinc/59/44/06/1075594406.db2.gz HFLDJQTWFLJYLP-SFHVURJKSA-N 1 2 424.888 3.527 20 10 HHCDLO COc1cc(N2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)cc(OC)c1OC ZINC000761218319 1075640904 /nfs/dbraw/zinc/64/09/04/1075640904.db2.gz ASNIBDUGPNVTEO-UHFFFAOYSA-N 1 2 405.564 3.789 20 10 HHCDLO O=S(=O)(c1ccccc1)N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000115103496 969830758 /nfs/dbraw/zinc/83/07/58/969830758.db2.gz CTOPBYGSCHIUGV-UHFFFAOYSA-N 1 2 422.506 3.798 20 10 HHCDLO COc1ccccc1C[NH+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472271589 993293097 /nfs/dbraw/zinc/29/30/97/993293097.db2.gz BULNESNFWJIGGV-UHFFFAOYSA-N 1 2 406.530 3.523 20 10 HHCDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000760446569 1072356673 /nfs/dbraw/zinc/35/66/73/1072356673.db2.gz CGWNKGRYIHYJCM-XMMPIXPASA-N 1 2 407.489 3.945 20 10 HHCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000014215430 962448276 /nfs/dbraw/zinc/44/82/76/962448276.db2.gz XWNRMEQDNMVZGA-XMMPIXPASA-N 1 2 412.578 3.957 20 10 HHCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000014215430 962448284 /nfs/dbraw/zinc/44/82/84/962448284.db2.gz XWNRMEQDNMVZGA-XMMPIXPASA-N 1 2 412.578 3.957 20 10 HHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000096970891 969067779 /nfs/dbraw/zinc/06/77/79/969067779.db2.gz CUILASWZTKKYSU-UHFFFAOYSA-N 1 2 407.514 3.712 20 10 HHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000096970891 969067788 /nfs/dbraw/zinc/06/77/88/969067788.db2.gz CUILASWZTKKYSU-UHFFFAOYSA-N 1 2 407.514 3.712 20 10 HHCDLO COc1ccc(N(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)cc1F ZINC000116605341 969908565 /nfs/dbraw/zinc/90/85/65/969908565.db2.gz LDGAVQHIQLZQGS-UHFFFAOYSA-N 1 2 415.509 3.520 20 10 HHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420503 1072335520 /nfs/dbraw/zinc/33/55/20/1072335520.db2.gz HCWVUGBTEFNZND-KDOFPFPSSA-N 1 2 408.539 3.509 20 10 HHCDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420503 1072335530 /nfs/dbraw/zinc/33/55/30/1072335530.db2.gz HCWVUGBTEFNZND-KDOFPFPSSA-N 1 2 408.539 3.509 20 10 HHCDLO COCCn1cc2c(n1)[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)CCC2 ZINC000760891439 1074533944 /nfs/dbraw/zinc/53/39/44/1074533944.db2.gz ITFSWCIQMCXLGH-BZNIZROVSA-N 1 2 412.303 3.865 20 10 HHCDLO O=C1/C(=C/c2csc(Cl)c2Cl)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000760989755 1074807258 /nfs/dbraw/zinc/80/72/58/1074807258.db2.gz PXLVULHHHFYZHA-FLIBITNWSA-N 1 2 423.412 3.978 20 10 HHCDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)cc(OC)c1O ZINC000761203859 1075589982 /nfs/dbraw/zinc/58/99/82/1075589982.db2.gz YYVUWDVYPDOWMR-UHFFFAOYSA-N 1 2 416.827 3.821 20 10 HHCDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)cc(OC)c1O ZINC000761203859 1075589985 /nfs/dbraw/zinc/58/99/85/1075589985.db2.gz YYVUWDVYPDOWMR-UHFFFAOYSA-N 1 2 416.827 3.821 20 10 HHCDLO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000023854921 963896089 /nfs/dbraw/zinc/89/60/89/963896089.db2.gz OIOKJOGIPZTGLY-VWLOTQADSA-N 1 2 420.557 3.924 20 10 HHCDLO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000023854921 963896095 /nfs/dbraw/zinc/89/60/95/963896095.db2.gz OIOKJOGIPZTGLY-VWLOTQADSA-N 1 2 420.557 3.924 20 10 HHCDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1C ZINC000217095070 970082763 /nfs/dbraw/zinc/08/27/63/970082763.db2.gz IFIYGUAFCIFDKG-UHFFFAOYSA-N 1 2 407.470 3.953 20 10 HHCDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1C ZINC000217095070 970082771 /nfs/dbraw/zinc/08/27/71/970082771.db2.gz IFIYGUAFCIFDKG-UHFFFAOYSA-N 1 2 407.470 3.953 20 10 HHCDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1O ZINC000247310139 970470033 /nfs/dbraw/zinc/47/00/33/970470033.db2.gz IDFPKRNZUHMZBT-UHFFFAOYSA-N 1 2 418.409 3.922 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000434091353 979839319 /nfs/dbraw/zinc/83/93/19/979839319.db2.gz DILQSYDKXTWROH-IBGZPJMESA-N 1 2 403.530 3.911 20 10 HHCDLO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000434091353 979839326 /nfs/dbraw/zinc/83/93/26/979839326.db2.gz DILQSYDKXTWROH-IBGZPJMESA-N 1 2 403.530 3.911 20 10 HHCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420502 1072335444 /nfs/dbraw/zinc/33/54/44/1072335444.db2.gz HCWVUGBTEFNZND-KBXCAEBGSA-N 1 2 408.539 3.509 20 10 HHCDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420502 1072335455 /nfs/dbraw/zinc/33/54/55/1072335455.db2.gz HCWVUGBTEFNZND-KBXCAEBGSA-N 1 2 408.539 3.509 20 10 HHCDLO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CCC2 ZINC000760891441 1074531719 /nfs/dbraw/zinc/53/17/19/1074531719.db2.gz ITFSWCIQMCXLGH-MEDUHNTESA-N 1 2 412.303 3.865 20 10 HHCDLO COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)CCC2 ZINC000760891436 1074532191 /nfs/dbraw/zinc/53/21/91/1074532191.db2.gz ITFSWCIQMCXLGH-BDJLRTHQSA-N 1 2 412.303 3.865 20 10 HHCDLO O=C1/C(=C/c2ccc(C(F)(F)F)s2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000760990191 1074814361 /nfs/dbraw/zinc/81/43/61/1074814361.db2.gz YUXSOYDNHYBOLA-BENRWUELSA-N 1 2 422.519 3.690 20 10 HHCDLO COc1cc(N2CC[NH+](Cc3cnc(CC(C)C)s3)CC2)cc(OC)c1OC ZINC000761219376 1075643823 /nfs/dbraw/zinc/64/38/23/1075643823.db2.gz OZXXAAAGQFUMME-UHFFFAOYSA-N 1 2 405.564 3.690 20 10 HHCDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000303034368 971468592 /nfs/dbraw/zinc/46/85/92/971468592.db2.gz RONIDTONJVPAEL-UHFFFAOYSA-N 1 2 424.589 3.502 20 10 HHCDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000303034368 971468597 /nfs/dbraw/zinc/46/85/97/971468597.db2.gz RONIDTONJVPAEL-UHFFFAOYSA-N 1 2 424.589 3.502 20 10 HHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000007251188 961090069 /nfs/dbraw/zinc/09/00/69/961090069.db2.gz AQKBFGORDCOBNK-UHFFFAOYSA-N 1 2 410.381 3.667 20 10 HHCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000007251188 961090082 /nfs/dbraw/zinc/09/00/82/961090082.db2.gz AQKBFGORDCOBNK-UHFFFAOYSA-N 1 2 410.381 3.667 20 10 HHCDLO COc1cc2nc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)[nH]c(=O)c2cc1OC ZINC000008307665 961512594 /nfs/dbraw/zinc/51/25/94/961512594.db2.gz YOBIXAHUEVGHLM-UHFFFAOYSA-N 1 2 422.529 3.563 20 10 HHCDLO COc1cc2nc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)[nH]c(=O)c2cc1OC ZINC000008307665 961512607 /nfs/dbraw/zinc/51/26/07/961512607.db2.gz YOBIXAHUEVGHLM-UHFFFAOYSA-N 1 2 422.529 3.563 20 10 HHCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000116581868 969906048 /nfs/dbraw/zinc/90/60/48/969906048.db2.gz VTIWOGUTXPMGAQ-DEOSSOPVSA-N 1 2 418.541 3.819 20 10 HHCDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000237542351 970310360 /nfs/dbraw/zinc/31/03/60/970310360.db2.gz OLWKEVRMHUCETC-AWEZNQCLSA-N 1 2 400.429 3.702 20 10 HHCDLO CC[NH+](CC)Cc1nc(C2(NCc3cc(Cl)cc(OC)c3O)CCCC2)no1 ZINC000761205553 1075595716 /nfs/dbraw/zinc/59/57/16/1075595716.db2.gz FZBVBLHJYXMSEK-UHFFFAOYSA-N 1 2 408.930 3.838 20 10 HHCDLO Nc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH+]c2ccccc12 ZINC000301894696 971103012 /nfs/dbraw/zinc/10/30/12/971103012.db2.gz SWKILYQMLYSXRK-UHFFFAOYSA-N 1 2 403.408 3.680 20 10 HHCDLO FC(F)Oc1ccc(N2CCC[C@@H](Nc3cc(N4CCSCC4)nc[nH+]3)C2)cc1 ZINC000302879555 971369123 /nfs/dbraw/zinc/36/91/23/971369123.db2.gz HANXOPLYFOANTO-OAHLLOKOSA-N 1 2 421.517 3.712 20 10 HHCDLO FC(F)Oc1ccc(N2CCC[C@@H](Nc3cc(N4CCSCC4)[nH+]cn3)C2)cc1 ZINC000302879555 971369129 /nfs/dbraw/zinc/36/91/29/971369129.db2.gz HANXOPLYFOANTO-OAHLLOKOSA-N 1 2 421.517 3.712 20 10 HHCDLO CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000028964239 965227306 /nfs/dbraw/zinc/22/73/06/965227306.db2.gz USALLMYQGLGQNT-SDXDJHTJSA-N 1 2 404.601 3.908 20 10 HHCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)C[C@@H](C)O1 ZINC000542014874 1012901901 /nfs/dbraw/zinc/90/19/01/1012901901.db2.gz KPOIEQCZQAGJOB-QZTJIDSGSA-N 1 2 424.545 3.793 20 10 HHCDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000760446567 1072356629 /nfs/dbraw/zinc/35/66/29/1072356629.db2.gz CGWNKGRYIHYJCM-DEOSSOPVSA-N 1 2 407.489 3.945 20 10 HHCDLO Oc1cc(F)c(F)cc1CN1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001142512623 1072408807 /nfs/dbraw/zinc/40/88/07/1072408807.db2.gz GMNQFOXROMDVMQ-INIZCTEOSA-N 1 2 424.245 3.654 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1cccc(F)c1 ZINC000760878585 1074499105 /nfs/dbraw/zinc/49/91/05/1074499105.db2.gz IXAUSEUSXLDYID-QHCPKHFHSA-N 1 2 424.520 3.595 20 10 HHCDLO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1O ZINC000761183451 1075567566 /nfs/dbraw/zinc/56/75/66/1075567566.db2.gz KJFBIRDAWXAALM-UHFFFAOYSA-N 1 2 421.335 3.632 20 10 HHCDLO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(Br)c1O ZINC000761183451 1075567570 /nfs/dbraw/zinc/56/75/70/1075567570.db2.gz KJFBIRDAWXAALM-UHFFFAOYSA-N 1 2 421.335 3.632 20 10 HHCDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)n2)c1 ZINC000237579875 970316190 /nfs/dbraw/zinc/31/61/90/970316190.db2.gz FVHHQRMNULNQFI-HNNXBMFYSA-N 1 2 412.465 3.572 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(C)cc1 ZINC000760878761 1074501544 /nfs/dbraw/zinc/50/15/44/1074501544.db2.gz LLYBEXWZJDNWNQ-DEOSSOPVSA-N 1 2 420.557 3.764 20 10 HHCDLO C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[N@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000024575503 964023548 /nfs/dbraw/zinc/02/35/48/964023548.db2.gz LPQUXMUZTGYRDP-RTBURBONSA-N 1 2 412.578 3.813 20 10 HHCDLO C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[N@@H+](C)Cc1ccc(N3CCCCC3)cc1)C2=O ZINC000024575503 964023561 /nfs/dbraw/zinc/02/35/61/964023561.db2.gz LPQUXMUZTGYRDP-RTBURBONSA-N 1 2 412.578 3.813 20 10 HHCDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2F)C[C@H](C)O1 ZINC000108458389 969386642 /nfs/dbraw/zinc/38/66/42/969386642.db2.gz YLNSZFSJEHDYDH-HDICACEKSA-N 1 2 422.504 3.614 20 10 HHCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@H](c4ccccc4OC)C3)ccc21 ZINC000505454219 1000784517 /nfs/dbraw/zinc/78/45/17/1000784517.db2.gz UZTABKHJBBVOCC-QFIPXVFZSA-N 1 2 421.541 3.700 20 10 HHCDLO O=c1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]c2sc3c(c21)CCC3 ZINC000302834817 971342758 /nfs/dbraw/zinc/34/27/58/971342758.db2.gz XKIGIJAUVKATID-OAHLLOKOSA-N 1 2 411.527 3.772 20 10 HHCDLO O=c1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]c2sc3c(c21)CCC3 ZINC000302834817 971342765 /nfs/dbraw/zinc/34/27/65/971342765.db2.gz XKIGIJAUVKATID-OAHLLOKOSA-N 1 2 411.527 3.772 20 10 HHCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420541 1072335897 /nfs/dbraw/zinc/33/58/97/1072335897.db2.gz HCWVUGBTEFNZND-KSSFIOAISA-N 1 2 408.539 3.509 20 10 HHCDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000760420541 1072335905 /nfs/dbraw/zinc/33/59/05/1072335905.db2.gz HCWVUGBTEFNZND-KSSFIOAISA-N 1 2 408.539 3.509 20 10 HHCDLO Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2cccc(C)c2[nH+]1 ZINC000760550518 1072572824 /nfs/dbraw/zinc/57/28/24/1072572824.db2.gz PHZVEAUPZHDBNY-UHFFFAOYSA-N 1 2 423.488 3.523 20 10 HHCDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)o1 ZINC001142643493 1073723778 /nfs/dbraw/zinc/72/37/78/1073723778.db2.gz WYQTZJFQWCLJMB-UHFFFAOYSA-N 1 2 406.482 3.967 20 10 HHCDLO O=C1/C(=C\c2ccc(C(F)(F)F)s2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000760990192 1074814390 /nfs/dbraw/zinc/81/43/90/1074814390.db2.gz YUXSOYDNHYBOLA-ZRDIBKRKSA-N 1 2 422.519 3.690 20 10 HHCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc(Cl)s1 ZINC000760455511 1072363521 /nfs/dbraw/zinc/36/35/21/1072363521.db2.gz TYYWHHOTYPUORO-CYBMUJFWSA-N 1 2 413.326 3.724 20 10 HHCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc(Cl)s1 ZINC000760455511 1072363531 /nfs/dbraw/zinc/36/35/31/1072363531.db2.gz TYYWHHOTYPUORO-CYBMUJFWSA-N 1 2 413.326 3.724 20 10 HHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC[C@H]5CO)nc[nH+]4)CC3)c2c1 ZINC000302090166 971173568 /nfs/dbraw/zinc/17/35/68/971173568.db2.gz GJSAOEUXFJDFDV-SFHVURJKSA-N 1 2 419.529 3.611 20 10 HHCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCCC[C@H]5CO)[nH+]cn4)CC3)c2c1 ZINC000302090166 971173574 /nfs/dbraw/zinc/17/35/74/971173574.db2.gz GJSAOEUXFJDFDV-SFHVURJKSA-N 1 2 419.529 3.611 20 10 HHCDLO C[C@@H]1C(=O)N(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1 ZINC000014215444 962448094 /nfs/dbraw/zinc/44/80/94/962448094.db2.gz QSNMYVYFJCSDTA-LJQANCHMSA-N 1 2 406.530 3.924 20 10 HHCDLO C[C@@H]1C(=O)N(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1 ZINC000014215444 962448098 /nfs/dbraw/zinc/44/80/98/962448098.db2.gz QSNMYVYFJCSDTA-LJQANCHMSA-N 1 2 406.530 3.924 20 10 HHCDLO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1C ZINC000028940897 965223080 /nfs/dbraw/zinc/22/30/80/965223080.db2.gz UQHHZNZFXIGETF-UHFFFAOYSA-N 1 2 410.539 3.669 20 10 HHCDLO O=c1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c2sc3c(c21)CCC3 ZINC000302834816 971341678 /nfs/dbraw/zinc/34/16/78/971341678.db2.gz XKIGIJAUVKATID-HNNXBMFYSA-N 1 2 411.527 3.772 20 10 HHCDLO O=c1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]c2sc3c(c21)CCC3 ZINC000302834816 971341690 /nfs/dbraw/zinc/34/16/90/971341690.db2.gz XKIGIJAUVKATID-HNNXBMFYSA-N 1 2 411.527 3.772 20 10 HHCDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(C)n1-c1ccc(Br)cc1 ZINC000097252586 969107028 /nfs/dbraw/zinc/10/70/28/969107028.db2.gz WCAWFUDEGVBCDZ-UHFFFAOYSA-N 1 2 401.308 3.873 20 10 HHCDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2F)C[C@@H](C)O1 ZINC000108458394 969386729 /nfs/dbraw/zinc/38/67/29/969386729.db2.gz YLNSZFSJEHDYDH-QZTJIDSGSA-N 1 2 422.504 3.614 20 10 HHCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc(Cl)s1 ZINC000760455514 1072363272 /nfs/dbraw/zinc/36/32/72/1072363272.db2.gz TYYWHHOTYPUORO-ZDUSSCGKSA-N 1 2 413.326 3.724 20 10 HHCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)c1ccc(Cl)s1 ZINC000760455514 1072363278 /nfs/dbraw/zinc/36/32/78/1072363278.db2.gz TYYWHHOTYPUORO-ZDUSSCGKSA-N 1 2 413.326 3.724 20 10 HHCDLO Cc1cc(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C)n1-c1ccc(C)cc1 ZINC000760878762 1074502035 /nfs/dbraw/zinc/50/20/35/1074502035.db2.gz LLYBEXWZJDNWNQ-XMMPIXPASA-N 1 2 420.557 3.764 20 10 HHCDLO