smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])N1CCC[C@H]1CC(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000831340216 602925156 /nfs/dbraw/zinc/92/51/56/602925156.db2.gz TWMRYBVAGKPWSW-NSHDSACASA-N -2 0 365.777 2.366 20 50 FEGDRL CC(C)C[C@H](CNC(=O)[O-])NC(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000824195965 603660893 /nfs/dbraw/zinc/66/08/93/603660893.db2.gz FXVJRBOPPKOXQE-GFCCVEGCSA-N -2 0 362.386 2.059 20 50 FEGDRL C[C@H](NC(=O)[O-])C1CCN(C(=O)N[N-]C(=O)c2cc3ccccc3o2)CC1 ZINC000825289485 604079885 /nfs/dbraw/zinc/07/98/85/604079885.db2.gz YXNZDAJDLOEHHE-NSHDSACASA-N -2 0 374.397 2.155 20 50 FEGDRL O=C([O-])N1CCc2ccc(NC(=O)NNc3ccc(Cl)nn3)cc2C1 ZINC000834047573 605656720 /nfs/dbraw/zinc/65/67/20/605656720.db2.gz KZXWTJOHICKKED-UHFFFAOYSA-N -2 0 362.777 2.315 20 50 FEGDRL O=C([O-])N[C@@H]1CCC[C@H](C(=O)NN=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000832327297 603483043 /nfs/dbraw/zinc/48/30/43/603483043.db2.gz XGCJSVFARVBYIR-NKWVEPMBSA-N -2 0 352.338 2.431 20 50 FEGDRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000832148881 603606689 /nfs/dbraw/zinc/60/66/89/603606689.db2.gz VGEFUBSRAJAOCL-CQSZACIVSA-N -2 0 367.361 2.073 20 50 FEGDRL O=C([O-])NC1(CNC(=O)N[N-]C(=O)c2cc3ccccc3o2)CCCCC1 ZINC000832222978 603642955 /nfs/dbraw/zinc/64/29/55/603642955.db2.gz GXPLVZWUXJUPPU-UHFFFAOYSA-N -2 0 374.397 2.347 20 50 FEGDRL O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000832327301 603483378 /nfs/dbraw/zinc/48/33/78/603483378.db2.gz XGCJSVFARVBYIR-RQJHMYQMSA-N -2 0 352.338 2.431 20 50 FEGDRL Cc1ccc(C(=O)NN=c2[n-]c(-c3ccncc3)no2)cc1NC(=O)[O-] ZINC000830225248 602811224 /nfs/dbraw/zinc/81/12/24/602811224.db2.gz JBXCEROCYGHYTQ-UHFFFAOYSA-N -2 0 354.326 2.287 20 50 FEGDRL O=C([O-])COc1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1 ZINC000833253358 601799842 /nfs/dbraw/zinc/79/98/42/601799842.db2.gz DHPYSYRDAKPHSM-UHFFFAOYSA-N -2 0 361.301 2.382 20 50 FEGDRL O=C([O-])NC1CCC(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000832276490 603483241 /nfs/dbraw/zinc/48/32/41/603483241.db2.gz BDJQHPHQTPIJJI-UHFFFAOYSA-N -2 0 352.338 2.431 20 50 FEGDRL O=C([O-])c1cccc(CC(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)c1 ZINC000833765908 604673648 /nfs/dbraw/zinc/67/36/48/604673648.db2.gz VTJIIONYSBJSJG-UHFFFAOYSA-N -2 0 365.345 2.044 20 50 FEGDRL O=C([O-])NCC1(C(=O)NNC(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000832442973 603699413 /nfs/dbraw/zinc/69/94/13/603699413.db2.gz IVZPAJUEKGKCMO-UHFFFAOYSA-N -2 0 357.769 2.068 20 50 FEGDRL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NN=c1[n-]c(-c2cccnc2)no1 ZINC000832357125 603985923 /nfs/dbraw/zinc/98/59/23/603985923.db2.gz FRDUURZNTZSEAT-STQMWFEESA-N -2 0 374.401 2.181 20 50 FEGDRL O=C([O-])N1CCC[C@@H]1CC(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000831340214 602924960 /nfs/dbraw/zinc/92/49/60/602924960.db2.gz TWMRYBVAGKPWSW-LLVKDONJSA-N -2 0 365.777 2.366 20 50 FEGDRL O=C([O-])N[C@H]1CCC[C@H](C(=O)NN=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000832327295 603483387 /nfs/dbraw/zinc/48/33/87/603483387.db2.gz XGCJSVFARVBYIR-BQBZGAKWSA-N -2 0 352.338 2.431 20 50 FEGDRL CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1ccc(Br)s1 ZINC000833454541 605252163 /nfs/dbraw/zinc/25/21/63/605252163.db2.gz LXAULYGFSDMPLB-UHFFFAOYSA-N -2 0 363.233 2.163 20 50 FEGDRL C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NN=c1[n-]c(-c2ccccc2)no1 ZINC000833830481 606042818 /nfs/dbraw/zinc/04/28/18/606042818.db2.gz MSNPGUMZIPRDNJ-YVEFUNNKSA-N -2 0 359.386 2.396 20 50 FEGDRL C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000833825409 606064199 /nfs/dbraw/zinc/06/41/99/606064199.db2.gz BSKDQCZEWCWFOY-KPZWWZAWSA-N -2 0 359.382 2.410 20 50 FEGDRL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NN=c1[n-]c(-c2ccncc2)no1 ZINC000832361803 603978909 /nfs/dbraw/zinc/97/89/09/603978909.db2.gz YVAGFZHIOTYHBK-CHWSQXEVSA-N -2 0 374.401 2.181 20 50 FEGDRL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NN=c1[n-]c(-c2cccnc2)no1 ZINC000832357120 603985840 /nfs/dbraw/zinc/98/58/40/603985840.db2.gz FRDUURZNTZSEAT-CHWSQXEVSA-N -2 0 374.401 2.181 20 50 FEGDRL O=C([O-])c1cc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC000833298557 601325400 /nfs/dbraw/zinc/32/54/00/601325400.db2.gz ZOVQDRSPNKIJLI-UHFFFAOYSA-N -2 0 369.289 2.114 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)c2c(Cl)cccc2Cl)o1 ZINC000832701950 602838012 /nfs/dbraw/zinc/83/80/12/602838012.db2.gz IEECMEYEDAMBPR-UHFFFAOYSA-N -2 0 372.164 2.429 20 50 FEGDRL Cc1ccc(F)c(NC(=S)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000830329207 604032844 /nfs/dbraw/zinc/03/28/44/604032844.db2.gz PAXUJCQWVDQGMM-UHFFFAOYSA-N -2 0 366.374 2.126 20 50 FEGDRL O=C([O-])N[C@@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000834157058 605745215 /nfs/dbraw/zinc/74/52/15/605745215.db2.gz GCQLNBRJTRSOQO-CYBMUJFWSA-N -2 0 370.321 2.147 20 50 FEGDRL O=C([O-])N1CCC2(C[C@H]2C(=O)NN=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000834050169 605948695 /nfs/dbraw/zinc/94/86/95/605948695.db2.gz WAMSYXXNOFRUGJ-ZETCQYMHSA-N -2 0 364.349 2.385 20 50 FEGDRL CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000824195966 603661146 /nfs/dbraw/zinc/66/11/46/603661146.db2.gz FXVJRBOPPKOXQE-LBPRGKRZSA-N -2 0 362.386 2.059 20 50 FEGDRL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NN=c1[n-]c(-c2ccncc2)no1 ZINC000832361805 603978943 /nfs/dbraw/zinc/97/89/43/603978943.db2.gz YVAGFZHIOTYHBK-OLZOCXBDSA-N -2 0 374.401 2.181 20 50 FEGDRL CCOC(=O)c1cnc(=NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)[n-]c1C ZINC000833860792 605441214 /nfs/dbraw/zinc/44/12/14/605441214.db2.gz GXALVKOUCADODU-UHFFFAOYSA-N -2 0 373.369 2.117 20 50 FEGDRL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NN=c1[n-]c(-c3ccccc3)no1)C2 ZINC000831308172 603878354 /nfs/dbraw/zinc/87/83/54/603878354.db2.gz MOEHMXLTYWHUJT-QXMXGUDHSA-N -2 0 371.397 2.491 20 50 FEGDRL Cc1ccc(NC(=S)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)cc1C ZINC000830395508 604031346 /nfs/dbraw/zinc/03/13/46/604031346.db2.gz GLSPTKRUVJYYGA-UHFFFAOYSA-N -2 0 362.411 2.295 20 50 FEGDRL O=C([O-])[C@H](N[N-]C(=O)C(F)(F)Oc1ccccc1)c1ccccc1F ZINC000833170608 600753197 /nfs/dbraw/zinc/75/31/97/600753197.db2.gz ZGMYSXNKHYRSES-CYBMUJFWSA-N -2 0 354.284 2.244 20 50 FEGDRL CCCC[C@H](CNC(=O)[O-])NC(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000826795076 603880135 /nfs/dbraw/zinc/88/01/35/603880135.db2.gz MPGUBXDKFVXPKV-GFCCVEGCSA-N -2 0 362.386 2.203 20 50 FEGDRL C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)N[N-]C(=O)c2cc3ccccc3o2)C1 ZINC000825229891 604279551 /nfs/dbraw/zinc/27/95/51/604279551.db2.gz WTFCAWYGNXNALR-AAEUAGOBSA-N -2 0 374.397 2.155 20 50 FEGDRL Cc1ccc(C(=O)[N-]NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000830225252 604438710 /nfs/dbraw/zinc/43/87/10/604438710.db2.gz JGTCUWPRUSFLKJ-LLVKDONJSA-N -2 0 360.370 2.061 20 50 FEGDRL CC(=NNC(=O)NCC(=O)[O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000833384341 605586562 /nfs/dbraw/zinc/58/65/62/605586562.db2.gz HGUSSIWGPGQGOU-UHFFFAOYSA-N -2 0 371.349 2.285 20 50 FEGDRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000832148879 603497279 /nfs/dbraw/zinc/49/72/79/603497279.db2.gz VGEFUBSRAJAOCL-AWEZNQCLSA-N -2 0 367.361 2.073 20 50 FEGDRL CCCC[C@@H](CNC(=O)[O-])NC(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000826794822 603889746 /nfs/dbraw/zinc/88/97/46/603889746.db2.gz KMYCXVJGRXNOAI-ZDUSSCGKSA-N -2 0 373.413 2.005 20 50 FEGDRL O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)cc1[O-] ZINC000834271985 606082380 /nfs/dbraw/zinc/08/23/80/606082380.db2.gz HVKPZOSUIAOZNE-UHFFFAOYSA-N -2 0 363.757 2.139 20 50 FEGDRL Cc1cccc(NC(=S)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)c1C ZINC000830522592 603448947 /nfs/dbraw/zinc/44/89/47/603448947.db2.gz SKFBLNXDKIRMRK-UHFFFAOYSA-N -2 0 362.411 2.295 20 50 FEGDRL O=C([O-])N[C@H](Cc1ccccc1)C(=O)NN=c1[n-]c(C(F)(F)F)cs1 ZINC000834148608 605948643 /nfs/dbraw/zinc/94/86/43/605948643.db2.gz AJNSGLGMMIZCCW-SECBINFHSA-N -2 0 374.344 2.484 20 50 FEGDRL C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NN=c1[n-]c(-c2ccccc2)no1 ZINC000833830478 606042776 /nfs/dbraw/zinc/04/27/76/606042776.db2.gz MSNPGUMZIPRDNJ-PXAZEXFGSA-N -2 0 359.386 2.396 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)c2ccc(Cl)cc2Cl)o1 ZINC000832702811 603236197 /nfs/dbraw/zinc/23/61/97/603236197.db2.gz XJISLUBZKNBZOC-UHFFFAOYSA-N -2 0 372.164 2.429 20 50 FEGDRL C[C@@]1(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)CCN(C(=O)[O-])C1 ZINC000825679017 603940114 /nfs/dbraw/zinc/94/01/14/603940114.db2.gz UWBYQGJHAFLACO-OAHLLOKOSA-N -2 0 365.777 2.223 20 50 FEGDRL Cc1ccc(C(=O)NN=c2[n-]c(-c3cccnc3)no2)cc1NC(=O)[O-] ZINC000830225533 602902437 /nfs/dbraw/zinc/90/24/37/602902437.db2.gz QIAIKIYVRNFEQJ-UHFFFAOYSA-N -2 0 354.326 2.287 20 50 FEGDRL O=C([O-])NCCC(=O)N[N-]C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000834228830 605845777 /nfs/dbraw/zinc/84/57/77/605845777.db2.gz QIYKDAQHMHVXEC-UHFFFAOYSA-N -2 0 351.746 2.019 20 50 FEGDRL Cc1ccc(C(=O)[N-]NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)o1 ZINC000830225343 603834046 /nfs/dbraw/zinc/83/40/46/603834046.db2.gz KXVNXNKXFXDELV-UHFFFAOYSA-N -2 0 371.393 2.061 20 50 FEGDRL CCC(CC)(CNC(=O)N[N-]C(=O)c1cc2ccccc2o1)NC(=O)[O-] ZINC000826540602 604077292 /nfs/dbraw/zinc/07/72/92/604077292.db2.gz BCHIVISKFXREAE-UHFFFAOYSA-N -2 0 362.386 2.203 20 50 FEGDRL C[C@@H](CN(C)C(=O)[O-])C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000824867529 604169368 /nfs/dbraw/zinc/16/93/68/604169368.db2.gz DCRBCHIWINOXKV-QMMMGPOBSA-N -2 0 353.766 2.079 20 50 FEGDRL CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1OCC(=O)[O-] ZINC000833384135 605328609 /nfs/dbraw/zinc/32/86/09/605328609.db2.gz DAOBHTHVDFUSKK-UHFFFAOYSA-N -2 0 371.349 2.394 20 50 FEGDRL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NN=c1[n-]c(C(F)(F)F)cs1 ZINC000832757294 605948361 /nfs/dbraw/zinc/94/83/61/605948361.db2.gz AJNSGLGMMIZCCW-VIFPVBQESA-N -2 0 374.344 2.484 20 50 FEGDRL C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000833825411 606063811 /nfs/dbraw/zinc/06/38/11/606063811.db2.gz BSKDQCZEWCWFOY-SGTLLEGYSA-N -2 0 359.382 2.410 20 50 FEGDRL O=C([O-])NC[C@@H](C(=O)NN=c1[n-]c(-c2ccccc2)no1)c1ccccc1 ZINC000832408393 602903514 /nfs/dbraw/zinc/90/35/14/602903514.db2.gz QQMLRPXHFGXBGS-CQSZACIVSA-N -2 0 367.365 2.231 20 50 FEGDRL Cc1ccc(C(=O)[N-]NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830225253 604438884 /nfs/dbraw/zinc/43/88/84/604438884.db2.gz JGTCUWPRUSFLKJ-NSHDSACASA-N -2 0 360.370 2.061 20 50 FEGDRL C[C@H](NC(=O)N[N-]C(=O)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825171859 603643645 /nfs/dbraw/zinc/64/36/45/603643645.db2.gz OWKHCYLMCNZFEY-WCQYABFASA-N -2 0 374.397 2.155 20 50 FEGDRL Cc1oc(S(=O)(=O)[N-]NC(=O)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833027542 601232941 /nfs/dbraw/zinc/23/29/41/601232941.db2.gz VMQPHDOEPOXOQJ-UHFFFAOYSA-N -2 0 374.374 2.063 20 50 FEGDRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]NC(=O)CCC1CCCCC1 ZINC000833096103 601861758 /nfs/dbraw/zinc/86/17/58/601861758.db2.gz AHKKALZHGZHSME-UHFFFAOYSA-N -2 0 372.418 2.194 20 50 FEGDRL O=C([O-])N[C@@H](C(=O)N[N-]C(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832751788 603498365 /nfs/dbraw/zinc/49/83/65/603498365.db2.gz IFYFBVQGNXQHDW-OAHLLOKOSA-N -2 0 353.334 2.203 20 50 FEGDRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000832846064 604270498 /nfs/dbraw/zinc/27/04/98/604270498.db2.gz SCEZYDGXEMYHET-UHFFFAOYSA-N -2 0 368.349 2.060 20 50 FEGDRL O=C([O-])N1CCC2(C[C@@H]2C(=O)NN=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000834050168 605948804 /nfs/dbraw/zinc/94/88/04/605948804.db2.gz WAMSYXXNOFRUGJ-SSDOTTSWSA-N -2 0 364.349 2.385 20 50 FEGDRL O=C([O-])NC[C@H](C(=O)N[N-]C(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832406906 603498495 /nfs/dbraw/zinc/49/84/95/603498495.db2.gz COAMSVHFIZARRP-AWEZNQCLSA-N -2 0 367.361 2.245 20 50 FEGDRL C[C@H](NC(=O)N[N-]C(=O)c1cc2ccccc2o1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825171856 603643496 /nfs/dbraw/zinc/64/34/96/603643496.db2.gz OWKHCYLMCNZFEY-AAEUAGOBSA-N -2 0 374.397 2.155 20 50 FEGDRL O=C([O-])N(CC(=O)N[N-]C(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000831450953 605388736 /nfs/dbraw/zinc/38/87/36/605388736.db2.gz LGOKBXVHZUZCBE-UHFFFAOYSA-N -2 0 353.334 2.378 20 50 FEGDRL O=C([O-])c1cc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)ccn1 ZINC000833148446 601287077 /nfs/dbraw/zinc/28/70/77/601287077.db2.gz JVZAVJDUQLEGBG-UHFFFAOYSA-N -2 0 359.729 2.240 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)Cc2cccc3ccccc32)o1 ZINC000832702711 603269376 /nfs/dbraw/zinc/26/93/76/603269376.db2.gz VHXFSINVQNQAKB-UHFFFAOYSA-N -2 0 367.361 2.204 20 50 FEGDRL Cc1ccc(C(=O)[N-]NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000830225236 603833864 /nfs/dbraw/zinc/83/38/64/603833864.db2.gz IWCBLWKLKGEXOP-LBPRGKRZSA-N -2 0 351.746 2.011 20 50 FEGDRL CC(C)(C)c1ccc(C(=O)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000823858723 603224663 /nfs/dbraw/zinc/22/46/63/603224663.db2.gz AUVVWTCWLLIPSM-UHFFFAOYSA-N -2 0 359.382 2.420 20 50 FEGDRL C[C@]1(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)CCN(C(=O)[O-])C1 ZINC000825679014 603939863 /nfs/dbraw/zinc/93/98/63/603939863.db2.gz UWBYQGJHAFLACO-HNNXBMFYSA-N -2 0 365.777 2.223 20 50 FEGDRL O=C([O-])Nc1ccc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)c(O)c1 ZINC000832838035 603606774 /nfs/dbraw/zinc/60/67/74/603606774.db2.gz CPZGHXDYSUOAIO-UHFFFAOYSA-N -2 0 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O=C([O-])NCCCCC(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000834234227 605922435 /nfs/dbraw/zinc/92/24/35/605922435.db2.gz NBGZPJHHVSYSKO-UHFFFAOYSA-N -2 0 353.766 2.271 20 50 FEGDRL Cc1oc(S(=O)(=O)[N-]NC(=O)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000833026781 601234107 /nfs/dbraw/zinc/23/41/07/601234107.db2.gz KPCKIGJZTJEEON-UHFFFAOYSA-N -2 0 374.374 2.063 20 50 FEGDRL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NN=c1[n-]c(-c2cccnc2)no1 ZINC000832357122 603985772 /nfs/dbraw/zinc/98/57/72/603985772.db2.gz FRDUURZNTZSEAT-OLZOCXBDSA-N -2 0 374.401 2.181 20 50 FEGDRL Cc1ccc(C(=O)[N-]NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832912156 604523793 /nfs/dbraw/zinc/52/37/93/604523793.db2.gz WNHWWCOLEQSPRZ-CQSZACIVSA-N -2 0 359.382 2.384 20 50 FEGDRL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NN=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000832327298 603483508 /nfs/dbraw/zinc/48/35/08/603483508.db2.gz XGCJSVFARVBYIR-RNFRBKRXSA-N -2 0 352.338 2.431 20 50 FEGDRL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NN=c1[n-]c(-c2cccnc2)no1 ZINC000832357124 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371.397 2.216 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)C23CC4CC(CC(C4)C2)C3)o1 ZINC000832701686 603224846 /nfs/dbraw/zinc/22/48/46/603224846.db2.gz FCBPKIBOOQGVMI-UHFFFAOYSA-N -2 0 361.398 2.025 20 50 FEGDRL C[C@@H](NC(=O)[O-])C1CCN(C(=O)N[N-]C(=O)c2cc3ccccc3o2)CC1 ZINC000825289484 604077593 /nfs/dbraw/zinc/07/75/93/604077593.db2.gz YXNZDAJDLOEHHE-LLVKDONJSA-N -2 0 374.397 2.155 20 50 FEGDRL O=C([O-])NCc1nc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)cs1 ZINC000832734516 603483143 /nfs/dbraw/zinc/48/31/43/603483143.db2.gz CZFKQGAIBRBNLS-UHFFFAOYSA-N -2 0 367.334 2.143 20 50 FEGDRL C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NN=c1[n-]c(-c2ccccc2)no1 ZINC000833830479 606043028 /nfs/dbraw/zinc/04/30/28/606043028.db2.gz MSNPGUMZIPRDNJ-SJCJKPOMSA-N -2 0 359.386 2.396 20 50 FEGDRL O=C([O-])N[C@H]1CCCCCC1=NNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000834187168 606079802 /nfs/dbraw/zinc/07/98/02/606079802.db2.gz WSMJZPWNWSWCAX-ZDUSSCGKSA-N -2 0 371.397 2.264 20 50 FEGDRL C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)N[N-]C(=O)c2cc3ccccc3o2)C1 ZINC000825229893 604279717 /nfs/dbraw/zinc/27/97/17/604279717.db2.gz WTFCAWYGNXNALR-WCQYABFASA-N -2 0 374.397 2.155 20 50 FEGDRL Cc1cc(C(=O)NN=c2[n-]c(-c3ccncc3)no2)ccc1NC(=O)[O-] ZINC000829961986 605898561 /nfs/dbraw/zinc/89/85/61/605898561.db2.gz QYIBGNIPQXVTEY-UHFFFAOYSA-N -2 0 354.326 2.287 20 50 FEGDRL O=C([O-])NNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000834251561 605941534 /nfs/dbraw/zinc/94/15/34/605941534.db2.gz XQDWZXKPHCUMJO-UHFFFAOYSA-N -2 0 356.098 2.450 20 50 FEGDRL O=C([O-])[C@@H](N[N-]C(=O)C(F)(F)Oc1ccccc1)c1ccccc1F ZINC000833170610 600753201 /nfs/dbraw/zinc/75/32/01/600753201.db2.gz ZGMYSXNKHYRSES-ZDUSSCGKSA-N -2 0 354.284 2.244 20 50 FEGDRL CCC(CC)(CNC(=O)N[N-]C(=O)c1ccc2ccccc2n1)NC(=O)[O-] ZINC000826541245 603548611 /nfs/dbraw/zinc/54/86/11/603548611.db2.gz SKPDEEKVVSIHIO-UHFFFAOYSA-N -2 0 373.413 2.005 20 50 FEGDRL CN(CC(C)(C)CNC(=O)[O-])C(=O)N[N-]C(=O)c1cc2ccccc2o1 ZINC000828141984 604080441 /nfs/dbraw/zinc/08/04/41/604080441.db2.gz GWASXTFYWXLHSM-UHFFFAOYSA-N -2 0 362.386 2.013 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)o1 ZINC000832702783 603483223 /nfs/dbraw/zinc/48/32/23/603483223.db2.gz WNAXHDWPLCXTLJ-UHFFFAOYSA-N -2 0 350.278 2.279 20 50 FEGDRL C[C@@H](NC(=O)N[N-]C(=O)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825171858 603643961 /nfs/dbraw/zinc/64/39/61/603643961.db2.gz OWKHCYLMCNZFEY-DGCLKSJQSA-N -2 0 374.397 2.155 20 50 FEGDRL O=C([O-])C[C@H]1CCCN1C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000833210227 604509041 /nfs/dbraw/zinc/50/90/41/604509041.db2.gz RESRXJDQBSDEAN-MRVPVSSYSA-N -2 0 360.197 2.287 20 50 FEGDRL O=C([O-])N[C@H]1CC(=NNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000834157060 605745607 /nfs/dbraw/zinc/74/56/07/605745607.db2.gz GCQLNBRJTRSOQO-ZDUSSCGKSA-N -2 0 370.321 2.147 20 50 FEGDRL CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cccc(Cl)c2[O-])o1 ZINC000824358282 608583617 /nfs/dbraw/zinc/58/36/17/608583617.db2.gz FTVOCEUTDRHQEE-UHFFFAOYSA-N -2 0 363.765 2.094 20 50 FEGDRL O=C([O-])[C@H](N[N-]C(=O)C(F)(F)Oc1ccccc1)c1ccc(F)cc1 ZINC000833169326 600753173 /nfs/dbraw/zinc/75/31/73/600753173.db2.gz FQGANRAHSQSTKC-CYBMUJFWSA-N -2 0 354.284 2.244 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000832702767 602872017 /nfs/dbraw/zinc/87/20/17/602872017.db2.gz WAMIXFDQYHECSH-UHFFFAOYSA-N -2 0 371.271 2.141 20 50 FEGDRL O=C([O-])NC[C@H](C(=O)NN=c1[n-]c(-c2ccccc2)no1)c1ccccc1 ZINC000832408392 602903045 /nfs/dbraw/zinc/90/30/45/602903045.db2.gz QQMLRPXHFGXBGS-AWEZNQCLSA-N -2 0 367.365 2.231 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=S)Nc2cccc(Cl)c2)o1 ZINC000832701633 604032427 /nfs/dbraw/zinc/03/24/27/604032427.db2.gz BKHFWFNZAVXBJB-UHFFFAOYSA-N -2 0 368.802 2.332 20 50 FEGDRL O=C([O-])NC1(CC(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)CCC1 ZINC000832207354 604171233 /nfs/dbraw/zinc/17/12/33/604171233.db2.gz YMAXILZXRQJEPZ-UHFFFAOYSA-N -2 0 365.777 2.414 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)c2cccc3ccccc32)o1 ZINC000832701919 602988937 /nfs/dbraw/zinc/98/89/37/602988937.db2.gz GEARWIAQKAPACK-UHFFFAOYSA-N -2 0 353.334 2.275 20 50 FEGDRL O=C([O-])N1CCSC[C@@H]1CC(=O)NN=c1[n-]c(C(F)(F)F)cs1 ZINC000831414566 605327776 /nfs/dbraw/zinc/32/77/76/605327776.db2.gz PUHUEYSVPBYNFX-LURJTMIESA-N -2 0 370.378 2.091 20 50 FEGDRL O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000834048511 605556677 /nfs/dbraw/zinc/55/66/77/605556677.db2.gz PBKCOECTXTWSTI-UHFFFAOYSA-N -2 0 372.381 2.033 20 50 FEGDRL O=C([O-])c1ccc(CCNC(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1 ZINC000833145319 601332969 /nfs/dbraw/zinc/33/29/69/601332969.db2.gz CNTRHLCTBIMNHG-UHFFFAOYSA-N -2 0 367.361 2.318 20 50 FEGDRL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NN=c1[n-]c(-c2ccncc2)no1 ZINC000832361810 603978789 /nfs/dbraw/zinc/97/87/89/603978789.db2.gz YVAGFZHIOTYHBK-STQMWFEESA-N -2 0 374.401 2.181 20 50 FEGDRL O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)c2ccc3ccccc3c2)o1 ZINC000832701960 603358722 /nfs/dbraw/zinc/35/87/22/603358722.db2.gz INGTZWSCNGXTDU-UHFFFAOYSA-N -2 0 353.334 2.275 20 50 FEGDRL Cc1ccc(NC(=O)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)c(Cl)c1 ZINC000830390365 604033089 /nfs/dbraw/zinc/03/30/89/604033089.db2.gz OASXCCLGYXAMES-UHFFFAOYSA-N -2 0 366.761 2.476 20 50 FEGDRL CC(=NNC(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H]1CCCCN1C(=O)[O-] ZINC000823533034 604088142 /nfs/dbraw/zinc/08/81/42/604088142.db2.gz PMFIFKJBVMVPRE-AWEZNQCLSA-N -2 0 371.397 2.216 20 50 FEGDRL O=C([O-])NCC1(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)CCCC1 ZINC000832443140 603803757 /nfs/dbraw/zinc/80/37/57/603803757.db2.gz QFIHWGTTZOPHBI-UHFFFAOYSA-N -2 0 352.338 2.433 20 50 FEGDRL C[C@H](CN(C)C(=O)[O-])C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000824867527 604169418 /nfs/dbraw/zinc/16/94/18/604169418.db2.gz DCRBCHIWINOXKV-MRVPVSSYSA-N -2 0 353.766 2.079 20 50 FEGDRL O=C([O-])N(CC(=O)NN=c1[n-]c(-c2ccccc2)no1)c1ccccc1 ZINC000831450515 605293730 /nfs/dbraw/zinc/29/37/30/605293730.db2.gz CJPOMKCQOBTZRN-UHFFFAOYSA-N -2 0 353.338 2.364 20 50 FEGDRL O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000834187164 606079724 /nfs/dbraw/zinc/07/97/24/606079724.db2.gz WSMJZPWNWSWCAX-CYBMUJFWSA-N -2 0 371.397 2.264 20 50 FEGDRL