smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cnc(NNC(=O)CN(C(=O)[O-])C2CC2)nc1C ZINC000833861151 605440839 /nfs/dbraw/zinc/44/08/39/605440839.db2.gz LKVYYHRJQFASGE-UHFFFAOYSA-N -1 2 337.336 0.547 20 50 ECGDLM O=C([O-])NCCCNC(=O)NNC(=O)C(F)(F)Oc1ccccc1 ZINC000832616748 603751631 /nfs/dbraw/zinc/75/16/31/603751631.db2.gz KJGFATRXBHTXBS-UHFFFAOYSA-N -1 2 346.290 0.646 20 50 ECGDLM C[C@H](NC(=S)NNC(=O)c1csc(CNC(=O)[O-])n1)C1CC1 ZINC000825465129 603611421 /nfs/dbraw/zinc/61/14/21/603611421.db2.gz HSQPRFHURYGLKR-LURJTMIESA-N -1 2 343.434 0.818 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)C[C@@H](C)NC(=O)[O-])nc1C ZINC000833860762 605440581 /nfs/dbraw/zinc/44/05/81/605440581.db2.gz FURILPSGVAUYNQ-SSDOTTSWSA-N -1 2 325.325 0.451 20 50 ECGDLM O=C([O-])NC[C@H](C(=O)NNC(=O)c1ccccn1)c1ccccc1 ZINC000832408487 603210397 /nfs/dbraw/zinc/21/03/97/603210397.db2.gz SQVGUNWVTISYSW-LBPRGKRZSA-N -1 2 328.328 0.894 20 50 ECGDLM C[C@@H](NC(=S)NNC(=O)c1ccc(CNC(=O)[O-])o1)C1CC1 ZINC000825466612 603612137 /nfs/dbraw/zinc/61/21/37/603612137.db2.gz UIHJLCNOQVAUQM-SSDOTTSWSA-N -1 2 326.378 0.955 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@H](C)CN(C)C(=O)[O-])nc1C ZINC000833860632 605440908 /nfs/dbraw/zinc/44/09/08/605440908.db2.gz BGSWZSWBWYYFEF-MRVPVSSYSA-N -1 2 339.352 0.651 20 50 ECGDLM CC(C)(C)c1ncsc1C(=O)NNC(=O)NCCNC(=O)[O-] ZINC000823870451 604173279 /nfs/dbraw/zinc/17/32/79/604173279.db2.gz YGSDBUJFENKIDQ-UHFFFAOYSA-N -1 2 329.382 0.652 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1csc(Nc2ccccn2)n1 ZINC000834203643 605465107 /nfs/dbraw/zinc/46/51/07/605465107.db2.gz YRQGRPCXXYBJOS-UHFFFAOYSA-N -1 2 336.333 0.310 20 50 ECGDLM O=C([O-])N1CCO[C@H](C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C1 ZINC000831742927 605396750 /nfs/dbraw/zinc/39/67/50/605396750.db2.gz WDNQTZOQPCNTEE-YFKPBYRVSA-N -1 2 340.283 0.984 20 50 ECGDLM O=C([O-])N1CC(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC000834044489 605511783 /nfs/dbraw/zinc/51/17/83/605511783.db2.gz DKBQXSPCVYZCMG-UHFFFAOYSA-N -1 2 330.300 0.712 20 50 ECGDLM O=C([O-])NCc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)o1 ZINC000832702774 603222464 /nfs/dbraw/zinc/22/24/64/603222464.db2.gz WFNDNHWFGLOTMF-UHFFFAOYSA-N -1 2 347.283 0.851 20 50 ECGDLM O=C([O-])NCc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)o1 ZINC000832701676 602780184 /nfs/dbraw/zinc/78/01/84/602780184.db2.gz DQDWVDRZNVUOEC-ZDUSSCGKSA-N -1 2 345.311 0.812 20 50 ECGDLM Cc1nc(C)c(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)o1 ZINC000830716673 603810403 /nfs/dbraw/zinc/81/04/03/603810403.db2.gz VPEWRKIEZPVKPK-UHFFFAOYSA-N -1 2 325.325 0.378 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)C[C@@H]2CSCCN2C(=O)[O-])o1 ZINC000830225714 605812338 /nfs/dbraw/zinc/81/23/38/605812338.db2.gz VCINAFUECNNBCP-SECBINFHSA-N -1 2 327.362 0.835 20 50 ECGDLM COC1(C(=O)NNC(=O)c2ccc(C)o2)CCN(C(=O)[O-])CC1 ZINC000828856957 603832878 /nfs/dbraw/zinc/83/28/78/603832878.db2.gz XJRDGZRFNKDWMG-UHFFFAOYSA-N -1 2 325.321 0.508 20 50 ECGDLM O=C([O-])NC1(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1 ZINC000832176312 604471653 /nfs/dbraw/zinc/47/16/53/604471653.db2.gz YQODCIKBMYWGJC-UHFFFAOYSA-N -1 2 329.259 0.606 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)CN(CC)C(=O)[O-])nc1C ZINC000833861621 605442099 /nfs/dbraw/zinc/44/20/99/605442099.db2.gz SJLPHOHXDYCSBD-UHFFFAOYSA-N -1 2 325.325 0.405 20 50 ECGDLM Cc1oc(-c2ccccc2F)nc1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833937907 605461698 /nfs/dbraw/zinc/46/16/98/605461698.db2.gz ZNAODICFHRFBPD-UHFFFAOYSA-N -1 2 336.279 0.818 20 50 ECGDLM C[C@@H](NC(=S)NNC(=O)c1csc(CNC(=O)[O-])n1)C1CC1 ZINC000825465130 603611694 /nfs/dbraw/zinc/61/16/94/603611694.db2.gz HSQPRFHURYGLKR-ZCFIWIBFSA-N -1 2 343.434 0.818 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])o1 ZINC000830224900 603835785 /nfs/dbraw/zinc/83/57/85/603835785.db2.gz CQXDXBVFIYEUOB-JTQLQIEISA-N -1 2 325.321 0.508 20 50 ECGDLM O=C([O-])N1CC(CC(=O)NNC(=O)C(F)(F)Oc2ccccc2)C1 ZINC000831366186 603837031 /nfs/dbraw/zinc/83/70/31/603837031.db2.gz DKCVVVSCPWYUBU-UHFFFAOYSA-N -1 2 343.286 0.806 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)C[C@H](C)NC(=O)[O-])nc1C ZINC000833860763 605440508 /nfs/dbraw/zinc/44/05/08/605440508.db2.gz FURILPSGVAUYNQ-ZETCQYMHSA-N -1 2 325.325 0.451 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)C(C)(C)CNC(=O)[O-])nc1C ZINC000833860761 605440898 /nfs/dbraw/zinc/44/08/98/605440898.db2.gz FTWIOWUOPLAUEK-UHFFFAOYSA-N -1 2 339.352 0.699 20 50 ECGDLM O=C([O-])Cn1cnc(NS(=O)(=O)c2ccc(CCCl)cc2)n1 ZINC000833277609 600987748 /nfs/dbraw/zinc/98/77/48/600987748.db2.gz VTPNEGYTILNGFL-UHFFFAOYSA-N -1 2 344.780 0.945 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1csc(NC2CC2)n1 ZINC000834230871 605995245 /nfs/dbraw/zinc/99/52/45/605995245.db2.gz FJQWOXHIUZNJJM-UHFFFAOYSA-N -1 2 327.366 0.526 20 50 ECGDLM Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)n1 ZINC000830017176 603230118 /nfs/dbraw/zinc/23/01/18/603230118.db2.gz MKAAFEYKNOTFGX-UHFFFAOYSA-N -1 2 335.320 0.322 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@@H](NC(=O)[O-])C(C)C)nc1C ZINC000833860993 605441048 /nfs/dbraw/zinc/44/10/48/605441048.db2.gz JYMHRAIMIJLWBF-JTQLQIEISA-N -1 2 339.352 0.697 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1cc(-n2ccnc2)ccn1 ZINC000834230903 605552248 /nfs/dbraw/zinc/55/22/48/605552248.db2.gz DODHJNXXHMSEHR-UHFFFAOYSA-N -1 2 332.320 0.076 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1cc(-c2cccnc2)on1 ZINC000834230820 605979781 /nfs/dbraw/zinc/97/97/81/605979781.db2.gz CVJNLBWKIQLPTL-UHFFFAOYSA-N -1 2 333.304 0.545 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1cc(F)cc(Cl)c1O ZINC000834232538 605995315 /nfs/dbraw/zinc/99/53/15/605995315.db2.gz SJACLLYQUPEWOW-UHFFFAOYSA-N -1 2 333.703 0.994 20 50 ECGDLM CO[C@@H](C)c1nc(C)c(C(=O)NNC(=O)NCCNC(=O)[O-])s1 ZINC000828830638 603447900 /nfs/dbraw/zinc/44/79/00/603447900.db2.gz MQZPJYRNTIWPFF-ZETCQYMHSA-N -1 2 345.381 0.371 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1cccc(Br)c1O ZINC000834203445 605455435 /nfs/dbraw/zinc/45/54/35/605455435.db2.gz UTCALOHCUBESJN-UHFFFAOYSA-N -1 2 332.110 0.183 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(Cn2cccn2)o1 ZINC000834229705 605978151 /nfs/dbraw/zinc/97/81/51/605978151.db2.gz GRXPSEQGUZHWGJ-UHFFFAOYSA-N -1 2 335.320 0.333 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])o1 ZINC000830224869 603835669 /nfs/dbraw/zinc/83/56/69/603835669.db2.gz BKQYZDBFTVOXJE-PSASIEDQSA-N -1 2 325.321 0.852 20 50 ECGDLM O=C([O-])NCCOCC(=O)NNc1nc(C(F)(F)F)cs1 ZINC000832669166 603483576 /nfs/dbraw/zinc/48/35/76/603483576.db2.gz UHTVKLBJTDXNSG-UHFFFAOYSA-N -1 2 328.272 0.889 20 50 ECGDLM O=C([O-])NCCOCC(=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC000832669166 603483579 /nfs/dbraw/zinc/48/35/79/603483579.db2.gz UHTVKLBJTDXNSG-UHFFFAOYSA-N -1 2 328.272 0.889 20 50 ECGDLM C[C@H](NC(=S)NNC(=O)c1ccc(CNC(=O)[O-])o1)C1CC1 ZINC000825466613 603612348 /nfs/dbraw/zinc/61/23/48/603612348.db2.gz UIHJLCNOQVAUQM-ZETCQYMHSA-N -1 2 326.378 0.955 20 50 ECGDLM O=C([O-])NCCNC(=O)NNC(=O)C(F)(F)Oc1ccccc1 ZINC000832652909 603746719 /nfs/dbraw/zinc/74/67/19/603746719.db2.gz NLABAWVSPQMVNG-UHFFFAOYSA-N -1 2 332.263 0.256 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)o1 ZINC000830225762 603835512 /nfs/dbraw/zinc/83/55/12/603835512.db2.gz WVCAFIDGIRODRA-UHFFFAOYSA-N -1 2 338.364 0.423 20 50 ECGDLM O=C([O-])NCCC(=O)NNC(=O)c1csc(-c2ccccn2)n1 ZINC000834229189 605846586 /nfs/dbraw/zinc/84/65/86/605846586.db2.gz ZQRUQDOKVMESRA-UHFFFAOYSA-N -1 2 335.345 0.624 20 50 ECGDLM O=C([O-])NCc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)o1 ZINC000832701675 602780219 /nfs/dbraw/zinc/78/02/19/602780219.db2.gz DQDWVDRZNVUOEC-CYBMUJFWSA-N -1 2 345.311 0.812 20 50 ECGDLM CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000826571675 602984257 /nfs/dbraw/zinc/98/42/57/602984257.db2.gz LAZSDGJWERNFAR-UHFFFAOYSA-N -1 2 340.336 0.113 20 50 ECGDLM O=C([O-])NCc1ccc(C(=O)NNC(=S)NCC2CCC2)o1 ZINC000832702221 604033857 /nfs/dbraw/zinc/03/38/57/604033857.db2.gz LSOFPQSNJVMPSH-UHFFFAOYSA-N -1 2 326.378 0.956 20 50 ECGDLM N#Cc1ccc(C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000831122901 602770291 /nfs/dbraw/zinc/77/02/91/602770291.db2.gz VXSLMZYUBFGIOP-UHFFFAOYSA-N -1 2 328.284 0.994 20 50 ECGDLM Cc1sc(C(=O)NNC(=O)CCCNC(=O)[O-])cc1[N+](=O)[O-] ZINC000833936940 605977751 /nfs/dbraw/zinc/97/77/51/605977751.db2.gz ONRCYHSPQHYHCR-UHFFFAOYSA-N -1 2 330.322 0.774 20 50 ECGDLM O=C([O-])NCc1ccc(C(=O)NNC(=O)COc2ccccc2O)o1 ZINC000832701693 602884434 /nfs/dbraw/zinc/88/44/34/602884434.db2.gz FGJQBLPTFAWVHD-UHFFFAOYSA-N -1 2 349.299 0.593 20 50 ECGDLM O=C([O-])N1CCO[C@@H](C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C1 ZINC000831742926 605397169 /nfs/dbraw/zinc/39/71/69/605397169.db2.gz WDNQTZOQPCNTEE-RXMQYKEDSA-N -1 2 340.283 0.984 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)CC(C)(C)NC(=O)[O-])nc1C ZINC000833860958 605440858 /nfs/dbraw/zinc/44/08/58/605440858.db2.gz IVETVVOLAUJKKO-UHFFFAOYSA-N -1 2 339.352 0.841 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCN(C(=O)[O-])C2)nc1C ZINC000833860999 605440705 /nfs/dbraw/zinc/44/07/05/605440705.db2.gz KAGSNUKBDKHWNH-SECBINFHSA-N -1 2 337.336 0.405 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1cnc(-c2ccccc2F)s1 ZINC000834203235 605458702 /nfs/dbraw/zinc/45/87/02/605458702.db2.gz NZRUIEGBRNHFON-UHFFFAOYSA-N -1 2 338.320 0.978 20 50 ECGDLM C[C@H](CC(=O)NNC(=O)C(F)(F)Oc1ccccc1)NC(=O)[O-] ZINC000824671736 602988752 /nfs/dbraw/zinc/98/87/52/602988752.db2.gz KWZHUXRERRRKDM-MRVPVSSYSA-N -1 2 331.275 0.852 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@H](CC)NC(=O)[O-])nc1C ZINC000833861717 605442233 /nfs/dbraw/zinc/44/22/33/605442233.db2.gz VATMLPWPKQFJAC-VIFPVBQESA-N -1 2 325.325 0.451 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1csc(Cc2ccccc2)n1 ZINC000834203252 605455354 /nfs/dbraw/zinc/45/53/54/605455354.db2.gz OYXSNYAHTNCPME-UHFFFAOYSA-N -1 2 334.357 0.763 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1cc(-c2ccncc2)on1 ZINC000834232517 605977711 /nfs/dbraw/zinc/97/77/11/605977711.db2.gz RTOFUKHVOSBHTQ-UHFFFAOYSA-N -1 2 333.304 0.545 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1csc(-c2cccs2)n1 ZINC000834202813 605461057 /nfs/dbraw/zinc/46/10/57/605461057.db2.gz CQADKOWFRXEWDS-UHFFFAOYSA-N -1 2 326.359 0.900 20 50 ECGDLM C[C@@H](CC(=O)NNC(=O)C(F)(F)Oc1ccccc1)NC(=O)[O-] ZINC000824671737 602988537 /nfs/dbraw/zinc/98/85/37/602988537.db2.gz KWZHUXRERRRKDM-QMMMGPOBSA-N -1 2 331.275 0.852 20 50 ECGDLM O=C([O-])NC[C@@H](C(=O)NNC(=O)c1ccccn1)c1ccccc1 ZINC000832408486 603210670 /nfs/dbraw/zinc/21/06/70/603210670.db2.gz SQVGUNWVTISYSW-GFCCVEGCSA-N -1 2 328.328 0.894 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])o1 ZINC000830224872 603835694 /nfs/dbraw/zinc/83/56/94/603835694.db2.gz BKQYZDBFTVOXJE-WPRPVWTQSA-N -1 2 325.321 0.852 20 50 ECGDLM COCCN(CCNC(=O)NNC(=O)c1ccc(C)o1)C(=O)[O-] ZINC000833885817 605418969 /nfs/dbraw/zinc/41/89/69/605418969.db2.gz LFZHUBWCNWZWKU-UHFFFAOYSA-N -1 2 328.325 0.158 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1cc(-n2cccn2)ccn1 ZINC000834231713 605973937 /nfs/dbraw/zinc/97/39/37/605973937.db2.gz ODPFMBUFDZHKLT-UHFFFAOYSA-N -1 2 332.320 0.076 20 50 ECGDLM O=C([O-])N1CCSC[C@H]1CC(=O)NN=c1[nH]cnc2nc[nH]c21 ZINC000831414839 605313413 /nfs/dbraw/zinc/31/34/13/605313413.db2.gz ULIPDVWPOIEIPR-SSDOTTSWSA-N -1 2 337.365 0.282 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)C[C@H]2CSCCN2C(=O)[O-])o1 ZINC000830225715 605812083 /nfs/dbraw/zinc/81/20/83/605812083.db2.gz VCINAFUECNNBCP-VIFPVBQESA-N -1 2 327.362 0.835 20 50 ECGDLM O=C([O-])N1CC(NC(=O)NNC(=O)C(F)(F)Oc2ccccc2)C1 ZINC000833149223 604622148 /nfs/dbraw/zinc/62/21/48/604622148.db2.gz IYRDMLUCLUWLPR-UHFFFAOYSA-N -1 2 344.274 0.351 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1occc1COc1ccccc1 ZINC000834202971 605463648 /nfs/dbraw/zinc/46/36/48/605463648.db2.gz IIYKWWFHHRECSM-UHFFFAOYSA-N -1 2 333.300 0.887 20 50 ECGDLM O=C([O-])NC1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000832175769 604424603 /nfs/dbraw/zinc/42/46/03/604424603.db2.gz LSQVECFAFVDFEK-UHFFFAOYSA-N -1 2 330.300 0.903 20 50 ECGDLM O=C([O-])NCCC(=O)NNC(=O)c1sccc1Br ZINC000834228849 605844162 /nfs/dbraw/zinc/84/41/62/605844162.db2.gz RDPPXIZYVKWPQV-UHFFFAOYSA-N -1 2 336.167 0.929 20 50 ECGDLM COc1cccc(C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1O ZINC000829537208 603510889 /nfs/dbraw/zinc/51/08/89/603510889.db2.gz HTWWLUUSSZSOAB-UHFFFAOYSA-N -1 2 349.299 0.836 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000830225153 605392881 /nfs/dbraw/zinc/39/28/81/605392881.db2.gz GQBKGWLURLKCHW-JTQLQIEISA-N -1 2 325.321 0.508 20 50 ECGDLM CN(CCNC(=O)NNC(=O)C(F)(F)Oc1ccccc1)C(=O)[O-] ZINC000828323775 603755112 /nfs/dbraw/zinc/75/51/12/603755112.db2.gz DKVNVBRRHIOVFR-UHFFFAOYSA-N -1 2 346.290 0.598 20 50 ECGDLM O=C([O-])NNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000832748367 604278301 /nfs/dbraw/zinc/27/83/01/604278301.db2.gz HYXGFPKAWZDAOT-UHFFFAOYSA-N -1 2 342.358 0.856 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000830225154 605392625 /nfs/dbraw/zinc/39/26/25/605392625.db2.gz GQBKGWLURLKCHW-SNVBAGLBSA-N -1 2 325.321 0.508 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])o1 ZINC000830224870 603835714 /nfs/dbraw/zinc/83/57/14/603835714.db2.gz BKQYZDBFTVOXJE-SCZZXKLOSA-N -1 2 325.321 0.852 20 50 ECGDLM N#Cc1cccc(C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000831146509 602850120 /nfs/dbraw/zinc/85/01/20/602850120.db2.gz RVMJRDXOFKRSKI-UHFFFAOYSA-N -1 2 328.284 0.994 20 50 ECGDLM O=C([O-])N1CCSC[C@@H]1CC(=O)NN=c1[nH]cnc2nc[nH]c21 ZINC000831414840 605313509 /nfs/dbraw/zinc/31/35/09/605313509.db2.gz ULIPDVWPOIEIPR-ZETCQYMHSA-N -1 2 337.365 0.282 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1csc(-c2ccccc2F)n1 ZINC000834203618 605452449 /nfs/dbraw/zinc/45/24/49/605452449.db2.gz XNLAPRHAIPUHTI-UHFFFAOYSA-N -1 2 338.320 0.978 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])o1 ZINC000830224901 603835559 /nfs/dbraw/zinc/83/55/59/603835559.db2.gz CQXDXBVFIYEUOB-SNVBAGLBSA-N -1 2 325.321 0.508 20 50 ECGDLM Cc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])o1 ZINC000830224871 603835575 /nfs/dbraw/zinc/83/55/75/603835575.db2.gz BKQYZDBFTVOXJE-WCBMZHEXSA-N -1 2 325.321 0.852 20 50 ECGDLM N#Cc1ccc(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)s1 ZINC000831122503 603448974 /nfs/dbraw/zinc/44/89/74/603448974.db2.gz JVIQJVRSBBOIIQ-UHFFFAOYSA-N -1 2 337.361 0.706 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@H](NC(=O)[O-])C(C)C)nc1C ZINC000833860994 605441257 /nfs/dbraw/zinc/44/12/57/605441257.db2.gz JYMHRAIMIJLWBF-SNVBAGLBSA-N -1 2 339.352 0.697 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1 ZINC000834203551 605449449 /nfs/dbraw/zinc/44/94/49/605449449.db2.gz WPGGUPCIXHAXIY-UHFFFAOYSA-N -1 2 334.357 0.763 20 50 ECGDLM CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(C(=O)[O-])n1 ZINC000833439343 605408934 /nfs/dbraw/zinc/40/89/34/605408934.db2.gz RDEISWPBVZHSQC-UHFFFAOYSA-N -1 2 338.320 0.066 20 50 ECGDLM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(Br)cn1 ZINC000834229980 605973492 /nfs/dbraw/zinc/97/34/92/605973492.db2.gz MUBUAGPSUIKELT-UHFFFAOYSA-N -1 2 345.153 0.653 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCCN2C(=O)[O-])nc1C ZINC000833862080 605442250 /nfs/dbraw/zinc/44/22/50/605442250.db2.gz YXOFTGUZPOWNJJ-JTQLQIEISA-N -1 2 337.336 0.547 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@H]2CCCN2C(=O)[O-])nc1C ZINC000833862083 605442345 /nfs/dbraw/zinc/44/23/45/605442345.db2.gz YXOFTGUZPOWNJJ-SNVBAGLBSA-N -1 2 337.336 0.547 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@H]2CCN(C(=O)[O-])C2)nc1C ZINC000833861018 605441077 /nfs/dbraw/zinc/44/10/77/605441077.db2.gz KAGSNUKBDKHWNH-VIFPVBQESA-N -1 2 337.336 0.405 20 50 ECGDLM CO[C@H](C)c1nc(C)c(C(=O)NNC(=O)NCCNC(=O)[O-])s1 ZINC000828830637 603448107 /nfs/dbraw/zinc/44/81/07/603448107.db2.gz MQZPJYRNTIWPFF-SSDOTTSWSA-N -1 2 345.381 0.371 20 50 ECGDLM O=C([O-])NC1(C(=O)NNC(=O)c2ccccn2)Cc2ccccc2C1 ZINC000832176086 603629376 /nfs/dbraw/zinc/62/93/76/603629376.db2.gz RVRZEJDUSJMBFJ-UHFFFAOYSA-N -1 2 340.339 0.648 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)[C@@H](C)CN(C)C(=O)[O-])nc1C ZINC000833860633 605441204 /nfs/dbraw/zinc/44/12/04/605441204.db2.gz BGSWZSWBWYYFEF-QMMMGPOBSA-N -1 2 339.352 0.651 20 50 ECGDLM O=C([O-])NCC(=O)NNC(=O)c1csc(-c2ncccc2F)n1 ZINC000834202970 605445400 /nfs/dbraw/zinc/44/54/00/605445400.db2.gz IHZWFAAGJVGFLC-UHFFFAOYSA-N -1 2 339.308 0.373 20 50 ECGDLM CCOC(=O)c1cnc(NNC(=O)C(C)(C)NC(=O)[O-])nc1C ZINC000833860932 605440970 /nfs/dbraw/zinc/44/09/70/605440970.db2.gz IDTFPIDTELCJIN-UHFFFAOYSA-N -1 2 325.325 0.451 20 50 ECGDLM O=C([O-])NCc1ccc(C(=O)NNC(=O)CNc2ccccc2)o1 ZINC000832702261 603438714 /nfs/dbraw/zinc/43/87/14/603438714.db2.gz NWGVHGIXGPBRHA-UHFFFAOYSA-N -1 2 332.316 0.920 20 50 ECGDLM