smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)c([P@@](=O)([O-])O)c1 ZINC000001870281 342713335 /nfs/dbraw/zinc/71/33/35/342713335.db2.gz UATXVBCNRKZPIQ-UHFFFAOYSA-N -1 2 206.565 1.451 50 0 BDAALM Cc1ccc(Cl)c([P@](=O)([O-])O)c1 ZINC000001870281 342713336 /nfs/dbraw/zinc/71/33/36/342713336.db2.gz UATXVBCNRKZPIQ-UHFFFAOYSA-N -1 2 206.565 1.451 50 0 BDAALM Cc1nnc(Nc2ccc(C(=O)[O-])cc2)[nH]c1=O ZINC000008739835 384216068 /nfs/dbraw/zinc/21/60/68/384216068.db2.gz GNPSXYPWOCQOSZ-UHFFFAOYSA-N -1 2 246.226 1.327 50 0 BDAALM CCc1ccc([C@@H](CC(=O)O)C(=O)[O-])cc1 ZINC000039102361 385679734 /nfs/dbraw/zinc/67/97/34/385679734.db2.gz MPAOWPAATTZDQI-SNVBAGLBSA-N -1 2 222.240 1.892 50 0 BDAALM O=C(O)C[C@H](C(=O)[O-])c1cccs1 ZINC000022018393 385891188 /nfs/dbraw/zinc/89/11/88/385891188.db2.gz VYDKFRVOLSJYBG-YFKPBYRVSA-N -1 2 200.215 1.391 50 0 BDAALM O=C([O-])C1(C(=O)O)C23CC=CCC21CC=CC3 ZINC000045071155 387274687 /nfs/dbraw/zinc/27/46/87/387274687.db2.gz HKWATWKPRZGWOA-UHFFFAOYSA-N -1 2 234.251 1.828 50 0 BDAALM CCSC1=NC(=O)[C@@H](CC(=O)[O-])S1 ZINC000034927045 343280864 /nfs/dbraw/zinc/28/08/64/343280864.db2.gz YTOGGNPWISOTTN-SCSAIBSYSA-N -1 2 219.287 1.212 50 0 BDAALM O=C([O-])c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000038974333 343380701 /nfs/dbraw/zinc/38/07/01/343380701.db2.gz AIHHXKBESQKXFV-UHFFFAOYSA-N -1 2 206.157 1.140 50 0 BDAALM O=C(O)C[C@@H](Cc1ccsc1)C(=O)[O-] ZINC000005949533 355722371 /nfs/dbraw/zinc/72/23/71/355722371.db2.gz DEZNEPHXNTVFAY-SSDOTTSWSA-N -1 2 214.242 1.466 50 0 BDAALM COC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000148757733 368394602 /nfs/dbraw/zinc/39/46/02/368394602.db2.gz VCZAEAINMNIWKJ-UHFFFAOYSA-N -1 2 211.242 1.728 50 0 BDAALM Cc1cccc(-c2cc(=O)n(CC(=O)[O-])[nH]2)c1 ZINC000067172455 383913111 /nfs/dbraw/zinc/91/31/11/383913111.db2.gz MVKNSUGVBFVOAS-UHFFFAOYSA-N -1 2 232.239 1.236 50 0 BDAALM O=C([O-])c1c(=O)[nH]c2ccc(Cl)cc2c1O ZINC000145768659 187299493 /nfs/dbraw/zinc/29/94/93/187299493.db2.gz UROOLQGJUTVWFE-UHFFFAOYSA-N -1 2 239.614 1.585 50 0 BDAALM Cc1ccc([NH2+][C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000016662572 490315823 /nfs/dbraw/zinc/31/58/23/490315823.db2.gz YGDMMGDUHBFELF-VIFPVBQESA-N -1 2 223.228 1.335 50 0 BDAALM Cc1ccccc1C[C@@H](CC(=O)O)C(=O)[O-] ZINC000005009761 179289637 /nfs/dbraw/zinc/28/96/37/179289637.db2.gz WFWVINOHIVDSEV-JTQLQIEISA-N -1 2 222.240 1.713 50 0 BDAALM Cc1ccccc1C[C@H](CC(=O)O)C(=O)[O-] ZINC000005009762 179291931 /nfs/dbraw/zinc/29/19/31/179291931.db2.gz WFWVINOHIVDSEV-SNVBAGLBSA-N -1 2 222.240 1.713 50 0 BDAALM CCN1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000019201151 342943347 /nfs/dbraw/zinc/94/33/47/342943347.db2.gz WVPVMILHHLRMOK-UHFFFAOYSA-N -1 2 248.326 1.522 50 0 BDAALM O=C([O-])[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccoc1 ZINC000072462583 187276846 /nfs/dbraw/zinc/27/68/46/187276846.db2.gz FAUYUEYKBBURSQ-LLVKDONJSA-N -1 2 247.254 1.187 50 0 BDAALM Cc1ccc([NH2+][C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000016662574 490315577 /nfs/dbraw/zinc/31/55/77/490315577.db2.gz YGDMMGDUHBFELF-SECBINFHSA-N -1 2 223.228 1.335 50 0 BDAALM CC(C)(C)OC(=O)Nc1snnc1C(=O)[O-] ZINC000074941998 398211072 /nfs/dbraw/zinc/21/10/72/398211072.db2.gz WYKTXOLUZGWCFQ-UHFFFAOYSA-N -1 2 245.260 1.583 50 0 BDAALM CCSC1=NC(=O)[C@H](CC(=O)[O-])S1 ZINC000034927044 343280797 /nfs/dbraw/zinc/28/07/97/343280797.db2.gz YTOGGNPWISOTTN-BYPYZUCNSA-N -1 2 219.287 1.212 50 0 BDAALM O=C([O-])c1cc(C(F)(F)F)cc(C(=O)[O-])[nH+]1 ZINC000022873129 350152223 /nfs/dbraw/zinc/15/22/23/350152223.db2.gz ZHYFFUAZFUFJRT-UHFFFAOYSA-N -1 2 235.117 1.497 50 0 BDAALM O=C([O-])C(CCCOc1ccccc1)C(=O)O ZINC000006581445 342779810 /nfs/dbraw/zinc/77/98/10/342779810.db2.gz NEAQOUUTPBNYKV-UHFFFAOYSA-N -1 2 238.239 1.631 50 0 BDAALM Cc1ccccc1O/C(=C/C(=O)O)C(=O)[O-] ZINC000146245868 368394169 /nfs/dbraw/zinc/39/41/69/368394169.db2.gz NAUXWAWDRJZOCN-RMKNXTFCSA-N -1 2 222.196 1.427 50 0 BDAALM O=C([O-])C(C(=O)O)C12CC3CC(CC(C3)C1)C2 ZINC000000392338 383861013 /nfs/dbraw/zinc/86/10/13/383861013.db2.gz PJDWEIFODWCDAV-UHFFFAOYSA-N -1 2 238.283 1.988 50 0 BDAALM CC1=CC(C)(C)[C@H](C(=O)[O-])[C@H](C(=O)O)C1 ZINC000000054324 168093318 /nfs/dbraw/zinc/09/33/18/168093318.db2.gz FXRAOARZHSCPPN-SFYZADRCSA-N -1 2 212.245 1.764 50 0 BDAALM O=C([O-])C(=O)c1ccc(O)c(C(F)(F)F)c1 ZINC000258268420 631418613 /nfs/dbraw/zinc/41/86/13/631418613.db2.gz WDAIUNLPLXJZBZ-UHFFFAOYSA-N -1 2 234.129 1.678 50 0 BDAALM Cn1cc([C@@H](CC(=O)O)C(=O)[O-])c2ccccc21 ZINC000003999633 342740514 /nfs/dbraw/zinc/74/05/14/342740514.db2.gz ZJEBCRUNWSUUJA-SECBINFHSA-N -1 2 247.250 1.821 50 0 biogenic BDAALM O=C([O-])c1cc(=O)c2ccc(O)cc2o1 ZINC000013543148 182552746 /nfs/dbraw/zinc/55/27/46/182552746.db2.gz QLJYPGSMODXQON-UHFFFAOYSA-N -1 2 206.153 1.197 50 0 BDAALM CC1=CC(C)(C)[C@@H](C(=O)[O-])[C@@H](C(=O)O)C1 ZINC000000054321 168093190 /nfs/dbraw/zinc/09/31/90/168093190.db2.gz FXRAOARZHSCPPN-JGVFFNPUSA-N -1 2 212.245 1.764 50 0 BDAALM O=C([O-])C(C/C=C/c1ccccc1)C(=O)O ZINC000071789357 374291640 /nfs/dbraw/zinc/29/16/40/374291640.db2.gz ACMBWQZDJBIYPJ-QPJJXVBHSA-N -1 2 220.224 1.875 50 0 BDAALM O=C([O-])C(Cc1cccs1)C(=O)O ZINC000001671208 383920130 /nfs/dbraw/zinc/92/01/30/383920130.db2.gz PGGOEUVKDHKGKQ-UHFFFAOYSA-N -1 2 200.215 1.076 50 0 in-vitro BDAALM CC(C)CSC1=NC(=O)[C@@H](CC(=O)[O-])S1 ZINC000034927049 200653752 /nfs/dbraw/zinc/65/37/52/200653752.db2.gz VNGXVBLOSQRYJH-ZCFIWIBFSA-N -1 2 247.341 1.848 50 0 BDAALM O=C([O-])CSC(=S)Nc1cccnc1 ZINC000004139183 388392046 /nfs/dbraw/zinc/39/20/46/388392046.db2.gz OLLRPHHBOUVMQA-UHFFFAOYSA-N -1 2 228.298 1.596 50 0 BDAALM C[C@@H](c1ccccc1)[C@H](CC(=O)O)C(=O)[O-] ZINC000004728586 176022625 /nfs/dbraw/zinc/02/26/25/176022625.db2.gz FDXVETHETURZLC-WPRPVWTQSA-N -1 2 222.240 1.966 50 0 BDAALM C[C@@H](c1ccccc1)[C@@H](CC(=O)O)C(=O)[O-] ZINC000004728584 176022981 /nfs/dbraw/zinc/02/29/81/176022981.db2.gz FDXVETHETURZLC-WCBMZHEXSA-N -1 2 222.240 1.966 50 0 BDAALM CC(C)c1c(O)nc(SCC(=O)[O-])[nH]c1=O ZINC000009008399 342806869 /nfs/dbraw/zinc/80/68/69/342806869.db2.gz LMAAQXIRMQYYOZ-UHFFFAOYSA-N -1 2 244.272 1.188 50 0 BDAALM O=C([O-])C(C(=O)O)[C@@H]1CCc2ccccc21 ZINC000002510339 188101288 /nfs/dbraw/zinc/10/12/88/188101288.db2.gz HTVUUKAYJQDTHI-SECBINFHSA-N -1 2 220.224 1.502 50 0 BDAALM CC1=CC(C)(C)[C@@H](C(=O)[O-])[C@H](C(=O)O)C1 ZINC000000054322 168093332 /nfs/dbraw/zinc/09/33/32/168093332.db2.gz FXRAOARZHSCPPN-HTQZYQBOSA-N -1 2 212.245 1.764 50 0 BDAALM O=C([O-])C(Cc1ccsc1)C(=O)O ZINC000001701425 188100333 /nfs/dbraw/zinc/10/03/33/188100333.db2.gz LQVUCMGPQDQSTL-UHFFFAOYSA-N -1 2 200.215 1.076 50 0 BDAALM O=C(c1ccccc1O)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000103561346 387474476 /nfs/dbraw/zinc/47/44/76/387474476.db2.gz DAXMTRRVQMYPSY-UHFFFAOYSA-N -1 2 248.194 1.072 50 0 BDAALM O=C1NC(=O)C(=C([O-])c2ccccc2O)C(=O)N1 ZINC000103561346 387474482 /nfs/dbraw/zinc/47/44/82/387474482.db2.gz DAXMTRRVQMYPSY-UHFFFAOYSA-N -1 2 248.194 1.072 50 0 BDAALM CC(C)SC1=NC(=O)[C@H](CC(=O)[O-])S1 ZINC000034927046 167320589 /nfs/dbraw/zinc/32/05/89/167320589.db2.gz LHXKFCDPAQNFAP-YFKPBYRVSA-N -1 2 233.314 1.601 50 0 BDAALM COc1ccc(CC(C(=O)[O-])C(=O)O)cc1 ZINC000002505285 175087732 /nfs/dbraw/zinc/08/77/32/175087732.db2.gz ZBBWIKBLGUCZOQ-UHFFFAOYSA-N -1 2 224.212 1.023 50 0 BDAALM C[C@H](c1ccccc1)[C@H](CC(=O)O)C(=O)[O-] ZINC000004728587 177040004 /nfs/dbraw/zinc/04/00/04/177040004.db2.gz FDXVETHETURZLC-SCZZXKLOSA-N -1 2 222.240 1.966 50 0 BDAALM CC(C)CSC1=NC(=O)[C@H](CC(=O)[O-])S1 ZINC000034927048 343281014 /nfs/dbraw/zinc/28/10/14/343281014.db2.gz VNGXVBLOSQRYJH-LURJTMIESA-N -1 2 247.341 1.848 50 0 BDAALM O=C([O-])C1(C(=O)O)CC2(CC(F)(F)C2)C1 ZINC000606302045 351552286 /nfs/dbraw/zinc/55/22/86/351552286.db2.gz XAGJZAZPAYEPMY-UHFFFAOYSA-N -1 2 220.171 1.351 50 0 BDAALM O=C([O-])[C@H](NC(=O)C(F)(F)F)c1ccccc1 ZINC000004975980 487929523 /nfs/dbraw/zinc/92/95/23/487929523.db2.gz AFPBGEGBLXHXNY-SSDOTTSWSA-N -1 2 247.172 1.491 50 0 BDAALM O=C([O-])[C@@H](NC(=O)C(F)(F)F)c1ccccc1 ZINC000003851684 342738405 /nfs/dbraw/zinc/73/84/05/342738405.db2.gz AFPBGEGBLXHXNY-ZETCQYMHSA-N -1 2 247.172 1.491 50 0 BDAALM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)C1C ZINC000004993455 180327417 /nfs/dbraw/zinc/32/74/17/180327417.db2.gz KEPKTIJKRPYYAF-UHFFFAOYSA-N -1 2 232.239 1.893 50 0 BDAALM O=C([O-])c1cc2c(nc(Cl)nc2Cl)[nH]1 ZINC000238637746 490155448 /nfs/dbraw/zinc/15/54/48/490155448.db2.gz PLENHKVVLSUDKQ-UHFFFAOYSA-N -1 2 232.026 1.963 50 0 BDAALM O=C([O-])c1cc2cc(F)c(O)c(F)c2oc1=O ZINC000026834195 343109920 /nfs/dbraw/zinc/10/99/20/343109920.db2.gz VYNDHICBIRRPFP-UHFFFAOYSA-N -1 2 242.133 1.475 50 0 in-vitro BDAALM O=C(O)C[C@@H](CCc1ccsc1)C(=O)[O-] ZINC000075279425 356937541 /nfs/dbraw/zinc/93/75/41/356937541.db2.gz CLYKVGYDCVYZFW-MRVPVSSYSA-N -1 2 228.269 1.856 50 0 BDAALM O=C(O)/C=C(/Sc1ccccc1)C(=O)[O-] ZINC000004300835 384052347 /nfs/dbraw/zinc/05/23/47/384052347.db2.gz KLLLLEFDGHBUOZ-SOFGYWHQSA-N -1 2 224.237 1.832 50 0 BDAALM O=C([O-])c1cc2nc(Cl)nc(Cl)c2[nH]1 ZINC000221512466 386003858 /nfs/dbraw/zinc/00/38/58/386003858.db2.gz KDGOTZJTOUBOKU-UHFFFAOYSA-N -1 2 232.026 1.963 50 0 BDAALM CCCCCS[C@H](CC(=O)O)C(=O)[O-] ZINC000001688379 342709322 /nfs/dbraw/zinc/70/93/22/342709322.db2.gz HQYPQYPNUGRPSM-SSDOTTSWSA-N -1 2 220.290 1.838 50 0 BDAALM O=C(O)C[C@@H](C(=O)[O-])C1CCCCC1 ZINC000025721043 384858968 /nfs/dbraw/zinc/85/89/68/384858968.db2.gz FROUMWCGMNOSBK-MRVPVSSYSA-N -1 2 200.234 1.742 50 0 BDAALM O=C(O)C[C@H](C(=O)[O-])C1CCCCC1 ZINC000025721036 384859040 /nfs/dbraw/zinc/85/90/40/384859040.db2.gz FROUMWCGMNOSBK-QMMMGPOBSA-N -1 2 200.234 1.742 50 0 BDAALM O=C(O)C[C@H](Cc1cccs1)C(=O)[O-] ZINC000004419531 384977243 /nfs/dbraw/zinc/97/72/43/384977243.db2.gz KQWBRBJXKFJNJT-LURJTMIESA-N -1 2 214.242 1.466 50 0 BDAALM C[C@@H](CC(=O)NC1=NCCS1)n1cc[nH+]c1 ZINC000012546415 352082360 /nfs/dbraw/zinc/08/23/60/352082360.db2.gz AVIKIEMJKSYEIP-QMMMGPOBSA-N -1 2 238.316 1.053 50 0 BDAALM O=C([O-])C(CCc1ccccc1)C(=O)O ZINC000005682547 188277325 /nfs/dbraw/zinc/27/73/25/188277325.db2.gz IUZIGXNXWJEZLU-UHFFFAOYSA-N -1 2 208.213 1.405 50 0 BDAALM O=C(O)C[C@H](Cc1ccsc1)C(=O)[O-] ZINC000005949531 355722145 /nfs/dbraw/zinc/72/21/45/355722145.db2.gz DEZNEPHXNTVFAY-ZETCQYMHSA-N -1 2 214.242 1.466 50 0 BDAALM O=C([O-])c1ccc(Nc2nncc(=O)[nH]2)cc1 ZINC000008997302 342806836 /nfs/dbraw/zinc/80/68/36/342806836.db2.gz QTYMACYWBRSZSL-UHFFFAOYSA-N -1 2 232.199 1.019 50 0 BDAALM O=S(=O)([O-])c1cc(Cl)c(O)c(Cl)c1 ZINC000001737176 188274050 /nfs/dbraw/zinc/27/40/50/188274050.db2.gz PGDCAFRJYQICAY-UHFFFAOYSA-N -1 2 243.067 1.946 50 0 BDAALM Cc1nnc(Nc2ccccc2C(=O)[O-])[nH]c1=O ZINC000005154644 384522706 /nfs/dbraw/zinc/52/27/06/384522706.db2.gz XOGJDEZHKYGEJB-UHFFFAOYSA-N -1 2 246.226 1.327 50 0 BDAALM C[C@@H](c1ccccc1)C(C(=O)[O-])C(=O)O ZINC000000333419 176019186 /nfs/dbraw/zinc/01/91/86/176019186.db2.gz AHWJRDQVJRKCPR-ZETCQYMHSA-N -1 2 208.213 1.576 50 0 BDAALM CC[C@@H](c1ccccc1)C(C(=O)[O-])C(=O)O ZINC000006002118 346271792 /nfs/dbraw/zinc/27/17/92/346271792.db2.gz DUKXBCXRFUGLTA-VIFPVBQESA-N -1 2 222.240 1.966 50 0 BDAALM CCc1ccc([C@H](CC(=O)O)C(=O)[O-])cc1 ZINC000039102362 385680464 /nfs/dbraw/zinc/68/04/64/385680464.db2.gz MPAOWPAATTZDQI-JTQLQIEISA-N -1 2 222.240 1.892 50 0 BDAALM O=C([O-])C(C/C=C\c1ccccc1)C(=O)O ZINC000199461849 398193003 /nfs/dbraw/zinc/19/30/03/398193003.db2.gz ACMBWQZDJBIYPJ-DAXSKMNVSA-N -1 2 220.224 1.875 50 0 BDAALM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)C1C ZINC000005000138 180328595 /nfs/dbraw/zinc/32/85/95/180328595.db2.gz ZFXYTWLBGVQXJY-UHFFFAOYSA-N -1 2 232.239 1.893 50 0 BDAALM O=C(O)C[C@@H](Cc1cccs1)C(=O)[O-] ZINC000004419532 384979623 /nfs/dbraw/zinc/97/96/23/384979623.db2.gz KQWBRBJXKFJNJT-ZCFIWIBFSA-N -1 2 214.242 1.466 50 0 BDAALM O=C([O-])c1[nH][nH]c(=O)c1-c1ccccc1 ZINC000031775869 385102551 /nfs/dbraw/zinc/10/25/51/385102551.db2.gz XFJKNSKUUNJAIV-UHFFFAOYSA-N -1 2 204.185 1.481 50 0 BDAALM C[C@H](c1ccccc1)[C@@H](CC(=O)O)C(=O)[O-] ZINC000004728585 177040024 /nfs/dbraw/zinc/04/00/24/177040024.db2.gz FDXVETHETURZLC-PSASIEDQSA-N -1 2 222.240 1.966 50 0 BDAALM O=C([O-])CCC(=O)C=C(O)c1ccccc1 ZINC000100009416 384608533 /nfs/dbraw/zinc/60/85/33/384608533.db2.gz RYHMWKGXNUBZPO-UHFFFAOYSA-N -1 2 220.224 1.693 50 0 BDAALM Cn1cc([C@H](CC(=O)O)C(=O)[O-])c2ccccc21 ZINC000003999634 342740575 /nfs/dbraw/zinc/74/05/75/342740575.db2.gz ZJEBCRUNWSUUJA-VIFPVBQESA-N -1 2 247.250 1.821 50 0 biogenic BDAALM O=C(O)C[C@H](CCc1ccsc1)C(=O)[O-] ZINC000075279424 356937678 /nfs/dbraw/zinc/93/76/78/356937678.db2.gz CLYKVGYDCVYZFW-QMMMGPOBSA-N -1 2 228.269 1.856 50 0 BDAALM COCCC1(C(=O)Nc2cc[nH+]cc2O)CC1 ZINC000097237572 371551840 /nfs/dbraw/zinc/55/18/40/371551840.db2.gz DIKNAJVDVHKEOX-UHFFFAOYSA-N -1 2 236.271 1.542 50 0 BDAALM O=C(O)C[C@@H](C(=O)[O-])c1cccs1 ZINC000022018389 385281319 /nfs/dbraw/zinc/28/13/19/385281319.db2.gz VYDKFRVOLSJYBG-RXMQYKEDSA-N -1 2 200.215 1.391 50 0 BDAALM O=[P@@]([O-])(O)c1ccc(Br)cc1 ZINC000001591863 387040249 /nfs/dbraw/zinc/04/02/49/387040249.db2.gz XDGIQCFWQNHSMV-UHFFFAOYSA-N -1 2 236.989 1.252 50 0 BDAALM O=[P@]([O-])(O)c1ccc(Br)cc1 ZINC000001591863 387040252 /nfs/dbraw/zinc/04/02/52/387040252.db2.gz XDGIQCFWQNHSMV-UHFFFAOYSA-N -1 2 236.989 1.252 50 0 BDAALM O=C(O)c1cc(=O)n(-c2ccc(Cl)cc2)[n-]1 ZINC000020134351 342971125 /nfs/dbraw/zinc/97/11/25/342971125.db2.gz BTUDGWWRQVTVDT-UHFFFAOYSA-N -1 2 238.630 1.517 50 0 BDAALM O=C([O-])CCC(=O)Nc1ccccc1S ZINC000004832602 385017374 /nfs/dbraw/zinc/01/73/74/385017374.db2.gz UZZSFRKCRCKMBV-UHFFFAOYSA-N -1 2 225.269 1.779 50 0 BDAALM CCCCCS[C@@H](CC(=O)O)C(=O)[O-] ZINC000002044825 342715315 /nfs/dbraw/zinc/71/53/15/342715315.db2.gz HQYPQYPNUGRPSM-ZETCQYMHSA-N -1 2 220.290 1.838 50 0 BDAALM Cc1cccc(C[C@H](CC(=O)O)C(=O)[O-])c1 ZINC000000249046 179104868 /nfs/dbraw/zinc/10/48/68/179104868.db2.gz OHQFGTDAUDLCBG-SNVBAGLBSA-N -1 2 222.240 1.713 50 0 in-vitro BDAALM O=C([O-])Cc1csc(Nc2ncccn2)n1 ZINC000042379503 384215764 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