smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164662943 719359899 /nfs/dbraw/zinc/35/98/99/719359899.db2.gz AYWYJTMERMODOA-UHFFFAOYSA-N -1 3 447.964 3.507 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735804 720540032 /nfs/dbraw/zinc/54/00/32/720540032.db2.gz ROPVTQLZBMHUKA-FZKQIMNGSA-N -1 3 442.919 3.813 20 0 IHADHM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)n1CC(F)(F)F ZINC001123268839 939817665 /nfs/dbraw/zinc/81/76/65/939817665.db2.gz VBXBWVAEDURHHX-NRFANRHFSA-N -1 3 437.462 3.516 20 0 IHADHM Cc1cc(Br)ccc1CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371602 939820946 /nfs/dbraw/zinc/82/09/46/939820946.db2.gz BVYYNMSRGVMVHH-JOCHJYFZSA-N -1 3 445.357 3.536 20 0 IHADHM Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164778445 721326609 /nfs/dbraw/zinc/32/66/09/721326609.db2.gz WTZMAMNHWZLVOW-LLVKDONJSA-N -1 3 446.882 3.705 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164919232 721810420 /nfs/dbraw/zinc/81/04/20/721810420.db2.gz WXRDMFLTYJJOBL-JRPNMDOOSA-N -1 3 448.948 3.621 20 0 IHADHM CN(Cc1cccnc1)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009713126 562975759 /nfs/dbraw/zinc/97/57/59/562975759.db2.gz YDPRIGGVPLKIKD-UHFFFAOYSA-N -1 3 433.892 3.947 20 0 IHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Br)cc1Cl ZINC000426759350 1126088383 /nfs/dbraw/zinc/08/83/83/1126088383.db2.gz WFTQNQGPKMRNFQ-LLVKDONJSA-N -1 3 426.620 3.561 20 0 IHADHM O=C1CCC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)N1Cc1ccncc1 ZINC001164900998 721506501 /nfs/dbraw/zinc/50/65/01/721506501.db2.gz VNGNFEXFBWADCV-UHFFFAOYSA-N -1 3 439.919 3.520 20 0 IHADHM O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)NCc1ccn(-c2ccccc2)n1 ZINC000426762372 1126088838 /nfs/dbraw/zinc/08/88/38/1126088838.db2.gz JSJQVKCKSBYBIY-LJQANCHMSA-N -1 3 439.313 3.902 20 0 IHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Br)c(Cl)s1 ZINC000426764974 1126089239 /nfs/dbraw/zinc/08/92/39/1126089239.db2.gz ZNTBWZMEUNHIKP-MRVPVSSYSA-N -1 3 432.649 3.622 20 0 IHADHM COc1cc2c(cc1CN[C@H](Cc1csc(-c3ccccc3Cl)n1)C(=O)[O-])OCO2 ZINC000426725862 1126083066 /nfs/dbraw/zinc/08/30/66/1126083066.db2.gz FPJBAUBFHKWNCU-MRXNPFEDSA-N -1 3 446.912 3.986 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164919231 721810354 /nfs/dbraw/zinc/81/03/54/721810354.db2.gz WXRDMFLTYJJOBL-FIXISWKDSA-N -1 3 448.948 3.621 20 0 IHADHM Cc1cc(Br)ccc1CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371603 939821228 /nfs/dbraw/zinc/82/12/28/939821228.db2.gz BVYYNMSRGVMVHH-QFIPXVFZSA-N -1 3 445.357 3.536 20 0 IHADHM CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC000015918946 563018353 /nfs/dbraw/zinc/01/83/53/563018353.db2.gz UPBKBLURRINSMO-JOCHJYFZSA-N -1 3 441.528 3.659 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735805 720539528 /nfs/dbraw/zinc/53/95/28/720539528.db2.gz ROPVTQLZBMHUKA-SCLBCKFNSA-N -1 3 442.919 3.813 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164759941 721030325 /nfs/dbraw/zinc/03/03/25/721030325.db2.gz BDURUSKKLLTZQA-KBXCAEBGSA-N -1 3 442.919 3.703 20 0 IHADHM COc1c(Br)cc(Br)cc1CN[C@@H](Cc1ccco1)C(=O)[O-] ZINC000426816297 1126092424 /nfs/dbraw/zinc/09/24/24/1126092424.db2.gz JXOUWGUJMKKJJN-ZDUSSCGKSA-N -1 3 433.096 3.599 20 0 IHADHM Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821073 720390555 /nfs/dbraw/zinc/39/05/55/720390555.db2.gz DQDOKRKDQFKDQJ-LALPHHSUSA-N -1 3 448.948 3.682 20 0 IHADHM O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164873242 721329024 /nfs/dbraw/zinc/32/90/24/721329024.db2.gz ANAXNBIUVPEVTM-UHFFFAOYSA-N -1 3 445.948 3.553 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164759943 721030380 /nfs/dbraw/zinc/03/03/80/721030380.db2.gz BDURUSKKLLTZQA-KSSFIOAISA-N -1 3 442.919 3.703 20 0 IHADHM FC1(F)CCN(c2nc[n-]c3nc(=S)sc2-3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907402 721722330 /nfs/dbraw/zinc/72/23/30/721722330.db2.gz ROWZVXOVQNDJAW-SFHVURJKSA-N -1 3 434.541 3.508 20 0 IHADHM CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]12 ZINC001164942011 721966910 /nfs/dbraw/zinc/96/69/10/721966910.db2.gz AHZNACIOZCQCIF-LPHOPBHVSA-N -1 3 438.931 3.733 20 0 IHADHM Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821074 720390561 /nfs/dbraw/zinc/39/05/61/720390561.db2.gz DQDOKRKDQFKDQJ-YWPYICTPSA-N -1 3 448.948 3.682 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735803 720540003 /nfs/dbraw/zinc/54/00/03/720540003.db2.gz ROPVTQLZBMHUKA-ACJLOTCBSA-N -1 3 442.919 3.813 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164919233 721810582 /nfs/dbraw/zinc/81/05/82/721810582.db2.gz WXRDMFLTYJJOBL-UEKVPHQBSA-N -1 3 448.948 3.621 20 0 IHADHM COc1cc(Br)c(CN[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1OC ZINC000426746846 1126086474 /nfs/dbraw/zinc/08/64/74/1126086474.db2.gz KZMHJZMVGQRCCV-HNNXBMFYSA-N -1 3 428.710 3.905 20 0 IHADHM CCOC[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)Cc2nn(CC3CC3)cc21 ZINC001164665102 719363900 /nfs/dbraw/zinc/36/39/00/719363900.db2.gz VLFFFUJSEVSXHR-LBPRGKRZSA-N -1 3 429.924 3.710 20 0 IHADHM CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]12 ZINC001164942013 721967073 /nfs/dbraw/zinc/96/70/73/721967073.db2.gz AHZNACIOZCQCIF-QFBILLFUSA-N -1 3 438.931 3.733 20 0 IHADHM CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC000015918945 563018335 /nfs/dbraw/zinc/01/83/35/563018335.db2.gz UPBKBLURRINSMO-QFIPXVFZSA-N -1 3 441.528 3.659 20 0 IHADHM Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C3)C2=O)c1 ZINC001164855817 720808001 /nfs/dbraw/zinc/80/80/01/720808001.db2.gz ZAIUFCNOQQPQJV-LJQANCHMSA-N -1 3 438.931 3.901 20 0 IHADHM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)n1CC(F)(F)F ZINC001123268840 939817869 /nfs/dbraw/zinc/81/78/69/939817869.db2.gz VBXBWVAEDURHHX-OAQYLSRUSA-N -1 3 437.462 3.516 20 0 IHADHM COc1cc2c(cc1CN[C@@H](Cc1csc(-c3ccccc3Cl)n1)C(=O)[O-])OCO2 ZINC000426725861 1126083156 /nfs/dbraw/zinc/08/31/56/1126083156.db2.gz FPJBAUBFHKWNCU-INIZCTEOSA-N -1 3 446.912 3.986 20 0 IHADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC001321113061 1126171271 /nfs/dbraw/zinc/17/12/71/1126171271.db2.gz JGAVPYSBXZFCQN-GOSISDBHSA-N -1 3 433.295 3.685 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735806 720539291 /nfs/dbraw/zinc/53/92/91/720539291.db2.gz ROPVTQLZBMHUKA-UGSOOPFHSA-N -1 3 442.919 3.813 20 0 IHADHM CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]12 ZINC001164942015 721966925 /nfs/dbraw/zinc/96/69/25/721966925.db2.gz AHZNACIOZCQCIF-VQIMIIECSA-N -1 3 438.931 3.733 20 0 IHADHM CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]12 ZINC001164942010 721967021 /nfs/dbraw/zinc/96/70/21/721967021.db2.gz AHZNACIOZCQCIF-APWZRJJASA-N -1 3 438.931 3.733 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164847887 720775150 /nfs/dbraw/zinc/77/51/50/720775150.db2.gz OAWDHDRYYOIMFE-KFWWJZLASA-N -1 3 442.919 3.702 20 0 IHADHM O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(C2CCCC2)CC1)c1cccs1 ZINC001165032095 721859975 /nfs/dbraw/zinc/85/99/75/721859975.db2.gz MBWJZTZNZZVUAD-UHFFFAOYSA-N -1 3 443.598 3.557 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164951373 721998375 /nfs/dbraw/zinc/99/83/75/721998375.db2.gz MIIVWEJDSLOCDL-UHFFFAOYSA-N -1 3 438.891 3.544 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164847889 720775564 /nfs/dbraw/zinc/77/55/64/720775564.db2.gz OAWDHDRYYOIMFE-ZNMIVQPWSA-N -1 3 442.919 3.702 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847886 720775794 /nfs/dbraw/zinc/77/57/94/720775794.db2.gz OAWDHDRYYOIMFE-ILXRZTDVSA-N -1 3 442.919 3.702 20 0 IHADHM O=C([O-])[C@]1(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)CCCN(Cc2ccccc2)C1 ZINC001123267417 939817006 /nfs/dbraw/zinc/81/70/06/939817006.db2.gz FRKAEGWRKXZVIP-QFIPXVFZSA-N -1 3 429.879 3.810 20 0 IHADHM O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164978709 722091667 /nfs/dbraw/zinc/09/16/67/722091667.db2.gz XSHBOQHSGFWEIB-CYBMUJFWSA-N -1 3 430.952 3.877 20 0 IHADHM Cc1cc(C)n(C[C@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)[O-])n1 ZINC000426724900 1126082815 /nfs/dbraw/zinc/08/28/15/1126082815.db2.gz WTKQVMPUTAABNY-FQEVSTJZSA-N -1 3 426.904 3.649 20 0 IHADHM O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164893473 721475404 /nfs/dbraw/zinc/47/54/04/721475404.db2.gz JNIVKMDPFCJSGZ-SFHVURJKSA-N -1 3 439.919 3.520 20 0 IHADHM Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821072 720390373 /nfs/dbraw/zinc/39/03/73/720390373.db2.gz DQDOKRKDQFKDQJ-JMSVASOKSA-N -1 3 448.948 3.682 20 0 IHADHM CSc1cc(Br)ccc1CN[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426751254 1126087199 /nfs/dbraw/zinc/08/71/99/1126087199.db2.gz UOMIPCHTVRZIQU-NSHDSACASA-N -1 3 438.269 3.629 20 0 IHADHM COc1c(Br)cc(Br)cc1CN[C@H](Cc1ccco1)C(=O)[O-] ZINC000426816296 1126092330 /nfs/dbraw/zinc/09/23/30/1126092330.db2.gz JXOUWGUJMKKJJN-CYBMUJFWSA-N -1 3 433.096 3.599 20 0 IHADHM Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C3)C2=O)c1 ZINC001164855815 720808034 /nfs/dbraw/zinc/80/80/34/720808034.db2.gz ZAIUFCNOQQPQJV-IBGZPJMESA-N -1 3 438.931 3.901 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164759944 721030537 /nfs/dbraw/zinc/03/05/37/721030537.db2.gz BDURUSKKLLTZQA-RDTXWAMCSA-N -1 3 442.919 3.703 20 0 IHADHM O=C([O-])[C@]1(NC(=O)Cc2csc(Cc3ccccc3)n2)CCCN(Cc2ccccc2)C1 ZINC001123372096 939821804 /nfs/dbraw/zinc/82/18/04/939821804.db2.gz IKHYISSLJXXASV-VWLOTQADSA-N -1 3 449.576 3.512 20 0 IHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Br)c(Cl)s1 ZINC000426764975 1126089254 /nfs/dbraw/zinc/08/92/54/1126089254.db2.gz ZNTBWZMEUNHIKP-QMMMGPOBSA-N -1 3 432.649 3.622 20 0 IHADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Br)ccc1Cl ZINC000426750766 1126087181 /nfs/dbraw/zinc/08/71/81/1126087181.db2.gz QBGZBHVPYYJYSG-LLVKDONJSA-N -1 3 426.620 3.561 20 0 IHADHM Cc1cc(C)n(C[C@@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)[O-])n1 ZINC000426724901 1126082847 /nfs/dbraw/zinc/08/28/47/1126082847.db2.gz WTKQVMPUTAABNY-HXUWFJFHSA-N -1 3 426.904 3.649 20 0 IHADHM O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)NCc1ccn(-c2ccccc2)n1 ZINC000426762371 1126088864 /nfs/dbraw/zinc/08/88/64/1126088864.db2.gz JSJQVKCKSBYBIY-IBGZPJMESA-N -1 3 439.313 3.902 20 0 IHADHM CSc1cc(Br)ccc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426751253 1126087287 /nfs/dbraw/zinc/08/72/87/1126087287.db2.gz UOMIPCHTVRZIQU-LLVKDONJSA-N -1 3 438.269 3.629 20 0 IHADHM COc1ccc(CN[C@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])c(Br)c1O ZINC000426815248 1126092415 /nfs/dbraw/zinc/09/24/15/1126092415.db2.gz KGFICDVKSDBDJR-CYBMUJFWSA-N -1 3 446.244 3.550 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164759942 721030172 /nfs/dbraw/zinc/03/01/72/721030172.db2.gz BDURUSKKLLTZQA-KDOFPFPSSA-N -1 3 442.919 3.703 20 0 IHADHM FC1(F)CCN(c2nc[n-]c3nc(=S)sc2-3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907400 721721188 /nfs/dbraw/zinc/72/11/88/721721188.db2.gz ROWZVXOVQNDJAW-GOSISDBHSA-N -1 3 434.541 3.508 20 0 IHADHM COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1-c1ccccn1 ZINC001123372232 939821451 /nfs/dbraw/zinc/82/14/51/939821451.db2.gz OSYIWVVXGHNZRZ-SANMLTNESA-N -1 3 445.519 3.606 20 0 IHADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1csc(-c2ccc(F)cc2)n1 ZINC000426723506 1126082628 /nfs/dbraw/zinc/08/26/28/1126082628.db2.gz MKPRKKBGBUHDLW-GOSISDBHSA-N -1 3 428.485 3.896 20 0 IHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Br)cc1Cl ZINC000426759352 1126088330 /nfs/dbraw/zinc/08/83/30/1126088330.db2.gz WFTQNQGPKMRNFQ-NSHDSACASA-N -1 3 426.620 3.561 20 0 IHADHM COc1cc(Br)c(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1OC ZINC000426746847 1126086541 /nfs/dbraw/zinc/08/65/41/1126086541.db2.gz KZMHJZMVGQRCCV-OAHLLOKOSA-N -1 3 428.710 3.905 20 0 IHADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Br)ccc1Cl ZINC000426750767 1126087189 /nfs/dbraw/zinc/08/71/89/1126087189.db2.gz QBGZBHVPYYJYSG-NSHDSACASA-N -1 3 426.620 3.561 20 0 IHADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC001320732001 1126169101 /nfs/dbraw/zinc/16/91/01/1126169101.db2.gz BAXUYHCVTKZFOW-AWEZNQCLSA-N -1 3 441.738 3.666 20 0 IHADHM O=C([O-])[C@@]1(NC(=O)c2ccc(Oc3cccnc3)cc2)CCCN(Cc2ccccc2)C1 ZINC001123272391 939818371 /nfs/dbraw/zinc/81/83/71/939818371.db2.gz ZTEJNQZIDRVGMM-RUZDIDTESA-N -1 3 431.492 3.723 20 0 IHADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)NCc1csc(-c2ccc(F)cc2)n1 ZINC000426723508 1126082693 /nfs/dbraw/zinc/08/26/93/1126082693.db2.gz MKPRKKBGBUHDLW-SFHVURJKSA-N -1 3 428.485 3.896 20 0 IHADHM CCOC[C@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)Cc2nn(CC3CC3)cc21 ZINC001164665101 719363845 /nfs/dbraw/zinc/36/38/45/719363845.db2.gz VLFFFUJSEVSXHR-GFCCVEGCSA-N -1 3 429.924 3.710 20 0 IHADHM Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821076 720390453 /nfs/dbraw/zinc/39/04/53/720390453.db2.gz DQDOKRKDQFKDQJ-ZOWXZIJZSA-N -1 3 448.948 3.682 20 0 IHADHM O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164893472 721475260 /nfs/dbraw/zinc/47/52/60/721475260.db2.gz JNIVKMDPFCJSGZ-GOSISDBHSA-N -1 3 439.919 3.520 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164919234 721810532 /nfs/dbraw/zinc/81/05/32/721810532.db2.gz WXRDMFLTYJJOBL-ZIBATOQPSA-N -1 3 448.948 3.621 20 0 IHADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC001321113062 1126171302 /nfs/dbraw/zinc/17/13/02/1126171302.db2.gz JGAVPYSBXZFCQN-SFHVURJKSA-N -1 3 433.295 3.685 20 0 IHADHM CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)C1=O ZINC001164891211 721473554 /nfs/dbraw/zinc/47/35/54/721473554.db2.gz CGTHFEBKKSDEJN-UHFFFAOYSA-N -1 3 438.931 3.765 20 0 IHADHM O=C([O-])[C@@]1(NC(=O)Cc2csc(Cc3ccccc3)n2)CCCN(Cc2ccccc2)C1 ZINC001123372095 939821628 /nfs/dbraw/zinc/82/16/28/939821628.db2.gz IKHYISSLJXXASV-RUZDIDTESA-N -1 3 449.576 3.512 20 0 IHADHM COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1-c1ccccn1 ZINC001123372231 939821671 /nfs/dbraw/zinc/82/16/71/939821671.db2.gz OSYIWVVXGHNZRZ-AREMUKBSSA-N -1 3 445.519 3.606 20 0 IHADHM COc1ccc(CN[C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])c(Br)c1O ZINC000426815253 1126092469 /nfs/dbraw/zinc/09/24/69/1126092469.db2.gz KGFICDVKSDBDJR-ZDUSSCGKSA-N -1 3 446.244 3.550 20 0 IHADHM Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164778446 721326480 /nfs/dbraw/zinc/32/64/80/721326480.db2.gz WTZMAMNHWZLVOW-NSHDSACASA-N -1 3 446.882 3.705 20 0 IHADHM O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164978711 722091742 /nfs/dbraw/zinc/09/17/42/722091742.db2.gz XSHBOQHSGFWEIB-ZDUSSCGKSA-N -1 3 430.952 3.877 20 0 IHADHM O=C([O-])[C@@]1(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)CCCN(Cc2ccccc2)C1 ZINC001123267416 939817200 /nfs/dbraw/zinc/81/72/00/939817200.db2.gz FRKAEGWRKXZVIP-JOCHJYFZSA-N -1 3 429.879 3.810 20 0 IHADHM O=C([O-])[C@]1(NC(=O)c2ccc(Oc3cccnc3)cc2)CCCN(Cc2ccccc2)C1 ZINC001123272392 939818673 /nfs/dbraw/zinc/81/86/73/939818673.db2.gz ZTEJNQZIDRVGMM-VWLOTQADSA-N -1 3 431.492 3.723 20 0 IHADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC001320732002 1126169090 /nfs/dbraw/zinc/16/90/90/1126169090.db2.gz BAXUYHCVTKZFOW-CQSZACIVSA-N -1 3 441.738 3.666 20 0 IHADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847888 720775933 /nfs/dbraw/zinc/77/59/33/720775933.db2.gz OAWDHDRYYOIMFE-KKUMJFAQSA-N -1 3 442.919 3.702 20 0 IHADHM