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(CCOc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737850453 945139150 /nfs/dbraw/zinc/13/91/50/945139150.db2.gz YUOVIXLIEZKYQL-UHFFFAOYSA-N -1 1 353.342 0.492 20 50 FCGDMM O=C(CCOc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737850453 945139152 /nfs/dbraw/zinc/13/91/52/945139152.db2.gz YUOVIXLIEZKYQL-UHFFFAOYSA-N -1 1 353.342 0.492 20 50 FCGDMM CC(C)CCC(=O)NCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735794798 944701162 /nfs/dbraw/zinc/70/11/62/944701162.db2.gz FFCZWVYMZLFWSE-UHFFFAOYSA-N -1 1 364.410 0.974 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C(C)(C)S(C)(=O)=O)o1 ZINC000735938595 944717494 /nfs/dbraw/zinc/71/74/94/944717494.db2.gz BQFFZWKPJDNMBE-UHFFFAOYSA-N -1 1 357.396 0.244 20 50 FCGDMM CCC(=O)NNC(=O)[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000736301498 944792672 /nfs/dbraw/zinc/79/26/72/944792672.db2.gz CZNDRZFWLLTMIY-SSDOTTSWSA-N -1 1 350.408 0.312 20 50 FCGDMM COC(=O)NC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736936040 944913757 /nfs/dbraw/zinc/91/37/57/944913757.db2.gz MXNBCKSFTLOZSE-UHFFFAOYSA-N -1 1 352.355 0.556 20 50 FCGDMM COC(=O)c1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)ccn1 ZINC000821666860 945785909 /nfs/dbraw/zinc/78/59/09/945785909.db2.gz JXHFNULBUOSGRQ-UHFFFAOYSA-N -1 1 372.345 0.917 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cccc2ccccc21 ZINC000823132016 946326151 /nfs/dbraw/zinc/32/61/51/946326151.db2.gz VJRXJNIKVLXKPH-UHFFFAOYSA-N -1 1 363.341 0.073 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826348011 948064757 /nfs/dbraw/zinc/06/47/57/948064757.db2.gz PQUILFCMBZJHLY-UHFFFAOYSA-N -1 1 369.385 0.831 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826348011 948064763 /nfs/dbraw/zinc/06/47/63/948064763.db2.gz PQUILFCMBZJHLY-UHFFFAOYSA-N -1 1 369.385 0.831 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000826348334 948070663 /nfs/dbraw/zinc/07/06/63/948070663.db2.gz HSAKOUIBQXCNBE-UHFFFAOYSA-N -1 1 359.321 0.235 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000826348334 948070674 /nfs/dbraw/zinc/07/06/74/948070674.db2.gz HSAKOUIBQXCNBE-UHFFFAOYSA-N -1 1 359.321 0.235 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])nc2)C[C@@H](C)O1 ZINC001589395256 954361886 /nfs/dbraw/zinc/36/18/86/954361886.db2.gz IAYSHUDSMMVZPX-GHMZBOCLSA-N -1 1 350.375 0.040 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)Cc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC001603460837 973294096 /nfs/dbraw/zinc/29/40/96/973294096.db2.gz KFXRAUDNWAIXKF-STQMWFEESA-N -1 1 363.414 0.574 20 50 FCGDMM C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)N1CCN(C)CC1 ZINC001592676656 979096846 /nfs/dbraw/zinc/09/68/46/979096846.db2.gz UBUWNTHRUVRIBF-NSHDSACASA-N -1 1 353.398 0.786 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCn3ccnc3C2)o1 ZINC000824352809 607461693 /nfs/dbraw/zinc/46/16/93/607461693.db2.gz OSIVXVIXURPDIX-VIFPVBQESA-N -1 1 357.378 0.880 20 50 FCGDMM CCOC(=O)NCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825523210 607711700 /nfs/dbraw/zinc/71/17/00/607711700.db2.gz OMMAHKUONSAMQZ-UHFFFAOYSA-N -1 1 366.382 0.948 20 50 FCGDMM O=C([N-]NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cc(-c2cccs2)[nH]n1 ZINC000823277816 607160285 /nfs/dbraw/zinc/16/02/85/607160285.db2.gz XIHSQZRAMYKEFA-UHFFFAOYSA-N -1 1 369.370 0.721 20 50 FCGDMM O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cc(-c2cccs2)[nH]n1 ZINC000826445509 608108028 /nfs/dbraw/zinc/10/80/28/608108028.db2.gz XOIPUSFHDVMXEH-UHFFFAOYSA-N -1 1 369.370 0.721 20 50 FCGDMM Cc1onc(CC(=O)NNc2cc(C#N)cc(Cl)n2)c1-c1nnn[n-]1 ZINC000826348211 609469586 /nfs/dbraw/zinc/46/95/86/609469586.db2.gz AOYMTYXJSHNWGD-UHFFFAOYSA-N -1 1 359.737 0.769 20 50 FCGDMM Cc1onc(CC(=O)NNc2cc(C#N)cc(Cl)n2)c1-c1nn[n-]n1 ZINC000826348211 609469590 /nfs/dbraw/zinc/46/95/90/609469590.db2.gz AOYMTYXJSHNWGD-UHFFFAOYSA-N -1 1 359.737 0.769 20 50 FCGDMM COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737089489 944956925 /nfs/dbraw/zinc/95/69/25/944956925.db2.gz XCYNKKJIBONPJJ-UHFFFAOYSA-N -1 1 367.369 0.664 20 50 FCGDMM COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737089489 944956927 /nfs/dbraw/zinc/95/69/27/944956927.db2.gz XCYNKKJIBONPJJ-UHFFFAOYSA-N -1 1 367.369 0.664 20 50 FCGDMM COc1ccccc1NCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737152887 944971109 /nfs/dbraw/zinc/97/11/09/944971109.db2.gz TZNGEXXBFZGYTH-UHFFFAOYSA-N -1 1 368.357 0.143 20 50 FCGDMM COc1ccccc1NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737152887 944971114 /nfs/dbraw/zinc/97/11/14/944971114.db2.gz TZNGEXXBFZGYTH-UHFFFAOYSA-N -1 1 368.357 0.143 20 50 FCGDMM CSc1[nH]c(=O)c(C(=O)NNC(=O)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC000737185720 944978163 /nfs/dbraw/zinc/97/81/63/944978163.db2.gz BTNSKTHGWPBFGW-UHFFFAOYSA-N -1 1 365.419 0.886 20 50 FCGDMM CC[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)N1CCCC1=O ZINC000820843207 945568566 /nfs/dbraw/zinc/56/85/66/945568566.db2.gz VFQYLXHWMZIUMO-SECBINFHSA-N -1 1 362.394 0.822 20 50 FCGDMM COc1ccc(NNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826210451 947615594 /nfs/dbraw/zinc/61/55/94/947615594.db2.gz SFAOPYWBJWJFGT-UHFFFAOYSA-N -1 1 374.317 0.766 20 50 FCGDMM COc1ccc(NNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826210451 947615603 /nfs/dbraw/zinc/61/56/03/947615603.db2.gz SFAOPYWBJWJFGT-UHFFFAOYSA-N -1 1 374.317 0.766 20 50 FCGDMM C[C@@H](C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)n1nnnc1C(C)(C)C ZINC001573731791 948597128 /nfs/dbraw/zinc/59/71/28/948597128.db2.gz ZBWZKYAHZIBQNN-QMMMGPOBSA-N -1 1 357.382 0.250 20 50 FCGDMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 ZINC001589605102 949238520 /nfs/dbraw/zinc/23/85/20/949238520.db2.gz JTVSNPUWSDYYSX-INIZCTEOSA-N -1 1 368.459 0.718 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C[C@H](C)O1 ZINC001589395193 954362255 /nfs/dbraw/zinc/36/22/55/954362255.db2.gz GNQDTCQJQWWVEP-IIYDPXPESA-N -1 1 353.419 0.444 20 50 FCGDMM Cc1ncsc1C(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000740242586 955258700 /nfs/dbraw/zinc/25/87/00/955258700.db2.gz PDWIIFKBLFUEPL-LBPRGKRZSA-N -1 1 373.394 0.932 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000818976805 955427587 /nfs/dbraw/zinc/42/75/87/955427587.db2.gz QNFYORQLAPOYEJ-NSHDSACASA-N -1 1 354.432 0.328 20 50 FCGDMM CCO/C=C(/C#N)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001603835185 974335363 /nfs/dbraw/zinc/33/53/63/974335363.db2.gz RFWDNADWPMFLOQ-ZTXJHGQBSA-N -1 1 363.292 0.553 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C[C@@H](C)O1 ZINC001594508157 985743720 /nfs/dbraw/zinc/74/37/20/985743720.db2.gz DWKLKTZBJQMYIV-YIYPIFLZSA-N -1 1 371.434 0.046 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)N2CCSCC2)o1 ZINC000824352560 607570262 /nfs/dbraw/zinc/57/02/62/607570262.db2.gz IOUFAZSRJSWDHM-SECBINFHSA-N -1 1 366.451 0.859 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnc(N(C)C)cn2)o1 ZINC000824358208 609500497 /nfs/dbraw/zinc/50/04/97/609500497.db2.gz BTLKLQFSHUWFFR-UHFFFAOYSA-N -1 1 358.366 0.591 20 50 FCGDMM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1cccc(F)c1F ZINC000737918799 945151838 /nfs/dbraw/zinc/15/18/38/945151838.db2.gz LUCUEXYAJZTLLX-UHFFFAOYSA-N -1 1 374.307 0.985 20 50 FCGDMM O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738137173 945241532 /nfs/dbraw/zinc/24/15/32/945241532.db2.gz RSFVRCAPEHTABW-UHFFFAOYSA-N -1 1 353.298 0.065 20 50 FCGDMM O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738137173 945241539 /nfs/dbraw/zinc/24/15/39/945241539.db2.gz RSFVRCAPEHTABW-UHFFFAOYSA-N -1 1 353.298 0.065 20 50 FCGDMM COC(=O)N[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C ZINC000736935691 944915303 /nfs/dbraw/zinc/91/53/03/944915303.db2.gz KKKDOZZVHSTEOE-QMMMGPOBSA-N -1 1 366.382 0.802 20 50 FCGDMM COc1ccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737103980 944959520 /nfs/dbraw/zinc/95/95/20/944959520.db2.gz NMJMNUZAHWUFKJ-UHFFFAOYSA-N -1 1 371.386 0.297 20 50 FCGDMM COc1ccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737103980 944959527 /nfs/dbraw/zinc/95/95/27/944959527.db2.gz NMJMNUZAHWUFKJ-UHFFFAOYSA-N -1 1 371.386 0.297 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCc3c[nH]nc3C2)o1 ZINC000820201830 945372339 /nfs/dbraw/zinc/37/23/39/945372339.db2.gz APBSVGQNRDEWIZ-QMMMGPOBSA-N -1 1 357.378 0.949 20 50 FCGDMM COc1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000821838345 945880745 /nfs/dbraw/zinc/88/07/45/945880745.db2.gz LPZKZFHVTZWQNT-UHFFFAOYSA-N -1 1 356.302 0.935 20 50 FCGDMM COc1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000821838345 945880756 /nfs/dbraw/zinc/88/07/56/945880756.db2.gz LPZKZFHVTZWQNT-UHFFFAOYSA-N -1 1 356.302 0.935 20 50 FCGDMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 ZINC001589604324 949221733 /nfs/dbraw/zinc/22/17/33/949221733.db2.gz APJDKIYIDLFKPZ-SFHVURJKSA-N -1 1 358.398 0.896 20 50 FCGDMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 ZINC001589605104 949240168 /nfs/dbraw/zinc/24/01/68/949240168.db2.gz JTVSNPUWSDYYSX-MRXNPFEDSA-N -1 1 368.459 0.718 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001594437182 959248087 /nfs/dbraw/zinc/24/80/87/959248087.db2.gz KYQQQIMGSBJMEU-GXSJLCMTSA-N -1 1 354.432 0.184 20 50 FCGDMM C[C@@H](CN1CCN(C)CC1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592614802 978573571 /nfs/dbraw/zinc/57/35/71/978573571.db2.gz BHXYFHJQKPCGJN-NSHDSACASA-N -1 1 353.398 0.786 20 50 FCGDMM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@H]1CN(C)CCN1C ZINC001593102273 993742388 /nfs/dbraw/zinc/74/23/88/993742388.db2.gz QVXRAKUOENLKIL-IINYFYTJSA-N -1 1 353.398 0.784 20 50 FCGDMM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CN(C)CCN1C ZINC001593102272 993742591 /nfs/dbraw/zinc/74/25/91/993742591.db2.gz QVXRAKUOENLKIL-HZMBPMFUSA-N -1 1 353.398 0.784 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000832363229 601922463 /nfs/dbraw/zinc/92/24/63/601922463.db2.gz YOQMJTNAXHBJKH-INIZCTEOSA-N -1 1 369.805 0.906 20 50 FCGDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000828024818 601940660 /nfs/dbraw/zinc/94/06/60/601940660.db2.gz XMLDPQVFRYWVPL-OAHLLOKOSA-N -1 1 350.331 0.152 20 50 FCGDMM O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826447384 607862498 /nfs/dbraw/zinc/86/24/98/607862498.db2.gz CKBJJPZEHMGMTI-UHFFFAOYSA-N -1 1 351.252 0.827 20 50 FCGDMM O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826447384 607862499 /nfs/dbraw/zinc/86/24/99/607862499.db2.gz CKBJJPZEHMGMTI-UHFFFAOYSA-N -1 1 351.252 0.827 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C(F)(F)C2(O)CCC2)o1 ZINC000824352789 608120385 /nfs/dbraw/zinc/12/03/85/608120385.db2.gz NSWDGCTVAKBREX-UHFFFAOYSA-N -1 1 357.321 0.972 20 50 FCGDMM CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819939441 945315340 /nfs/dbraw/zinc/31/53/40/945315340.db2.gz CAFKWMBBGYBJHH-UHFFFAOYSA-N -1 1 364.366 0.618 20 50 FCGDMM CC(C)(C)OC(=O)NCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819939441 945315349 /nfs/dbraw/zinc/31/53/49/945315349.db2.gz CAFKWMBBGYBJHH-UHFFFAOYSA-N -1 1 364.366 0.618 20 50 FCGDMM CCCNC(=O)CCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736484402 944833514 /nfs/dbraw/zinc/83/35/14/944833514.db2.gz YLIVAZZNKRQMIA-UHFFFAOYSA-N -1 1 350.383 0.728 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737068481 944941376 /nfs/dbraw/zinc/94/13/76/944941376.db2.gz SFDXDGOTYCWKGD-UHFFFAOYSA-N -1 1 369.341 0.354 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737068481 944941386 /nfs/dbraw/zinc/94/13/86/944941386.db2.gz SFDXDGOTYCWKGD-UHFFFAOYSA-N -1 1 369.341 0.354 20 50 FCGDMM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737362752 945049732 /nfs/dbraw/zinc/04/97/32/945049732.db2.gz USUDPOROMNMLMP-UHFFFAOYSA-N -1 1 366.385 0.752 20 50 FCGDMM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737362752 945049740 /nfs/dbraw/zinc/04/97/40/945049740.db2.gz USUDPOROMNMLMP-UHFFFAOYSA-N -1 1 366.385 0.752 20 50 FCGDMM CC(=O)N[C@](C)(C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C ZINC001573455319 945882455 /nfs/dbraw/zinc/88/24/55/945882455.db2.gz CYEZAGRRBNXTEH-HNNXBMFYSA-N -1 1 364.410 0.972 20 50 FCGDMM Cc1cc(C(=O)[N-]NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000822176158 945969997 /nfs/dbraw/zinc/96/99/97/945969997.db2.gz HBGDCAANXVGVBS-UHFFFAOYSA-N -1 1 358.387 0.452 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN(C)C[C@H](C)C(=O)[O-])cc1OC ZINC000737929459 955229476 /nfs/dbraw/zinc/22/94/76/955229476.db2.gz FBUUEJJCOHYIAR-JTQLQIEISA-N -1 1 353.375 0.117 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000738015939 955231460 /nfs/dbraw/zinc/23/14/60/955231460.db2.gz NFJXUJTUHMJGFM-SECBINFHSA-N -1 1 357.794 0.762 20 50 FCGDMM O=C([O-])CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000819492323 955447629 /nfs/dbraw/zinc/44/76/29/955447629.db2.gz BFBGBJHHHCIWTD-UHFFFAOYSA-N -1 1 363.418 0.004 20 50 FCGDMM CCO/C=C(\C#N)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001603835182 974335515 /nfs/dbraw/zinc/33/55/15/974335515.db2.gz RFWDNADWPMFLOQ-ACMYFRETSA-N -1 1 363.292 0.553 20 50 FCGDMM O=C([O-])NCCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000739937639 978659064 /nfs/dbraw/zinc/65/90/64/978659064.db2.gz DFFXRFSNOOMMQT-UHFFFAOYSA-N -1 1 363.418 0.004 20 50 FCGDMM CCC[C@@](C)(NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001595559876 981443240 /nfs/dbraw/zinc/44/32/40/981443240.db2.gz CGBVCYAUZFMBQD-QGZVFWFLSA-N -1 1 367.402 0.698 20 50 FCGDMM CCC[C@](C)(NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001595559873 981443271 /nfs/dbraw/zinc/44/32/71/981443271.db2.gz CGBVCYAUZFMBQD-KRWDZBQOSA-N -1 1 367.402 0.698 20 50 FCGDMM C=C(CCC(=O)[O-])C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC001588630044 983740901 /nfs/dbraw/zinc/74/09/01/983740901.db2.gz BSESKTYCKJRILD-UHFFFAOYSA-N -1 1 374.441 0.767 20 50 FCGDMM C[C@H](NC(=O)[C@H](C)NC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC001599897684 984773783 /nfs/dbraw/zinc/77/37/83/984773783.db2.gz JRIHBAPWNIRQGK-IUCAKERBSA-N -1 1 362.342 0.355 20 50 FCGDMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)[O-])c2C1 ZINC001590974392 991109014 /nfs/dbraw/zinc/10/90/14/991109014.db2.gz KPKTUIHASHUWMU-SNVBAGLBSA-N -1 1 362.386 0.217 20 50 FCGDMM CN1CC[C@@H](CNC(=O)NNC(=O)C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001598584512 993362424 /nfs/dbraw/zinc/36/24/24/993362424.db2.gz WDIRAXPYHOKSIZ-JOYOIKCWSA-N -1 1 372.784 0.887 20 50 FCGDMM CN1c2ccccc2N(C)C1=C(C#N)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826010103 608012782 /nfs/dbraw/zinc/01/27/82/608012782.db2.gz CUROHOXYCGXOBU-UHFFFAOYSA-N -1 1 361.369 0.954 20 50 FCGDMM CN1c2ccccc2N(C)C1=C(C#N)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826010103 608012783 /nfs/dbraw/zinc/01/27/83/608012783.db2.gz CUROHOXYCGXOBU-UHFFFAOYSA-N -1 1 361.369 0.954 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CS(=O)(=O)C(C)(C)C)o1 ZINC000824358228 608447679 /nfs/dbraw/zinc/44/76/79/608447679.db2.gz CSCDLUWHQWLTRM-UHFFFAOYSA-N -1 1 371.423 0.635 20 50 FCGDMM O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1cc(F)ccc1[O-] ZINC000826417236 608754682 /nfs/dbraw/zinc/75/46/82/608754682.db2.gz JNECOHTXLBQKOB-UHFFFAOYSA-N -1 1 372.316 0.551 20 50 FCGDMM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737363924 945048168 /nfs/dbraw/zinc/04/81/68/945048168.db2.gz GWFPPYGVEDJXGZ-UHFFFAOYSA-N -1 1 367.369 0.719 20 50 FCGDMM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737363924 945048175 /nfs/dbraw/zinc/04/81/75/945048175.db2.gz GWFPPYGVEDJXGZ-UHFFFAOYSA-N -1 1 367.369 0.719 20 50 FCGDMM Cc1cc(O)cc(=O)n1CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000822210440 945994321 /nfs/dbraw/zinc/99/43/21/945994321.db2.gz BMPSAZFNRMNSJF-UHFFFAOYSA-N -1 1 374.361 0.297 20 50 FCGDMM COC[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 ZINC001593966470 956550906 /nfs/dbraw/zinc/55/09/06/956550906.db2.gz JFPHRGZVTFRTOO-MRXNPFEDSA-N -1 1 353.350 0.010 20 50 FCGDMM C[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)N1CCN(C)CC1 ZINC001592676628 979096691 /nfs/dbraw/zinc/09/66/91/979096691.db2.gz SPOJPSNXMPVPLW-LLVKDONJSA-N -1 1 353.398 0.786 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C[C@H](C)O1 ZINC001594508155 985742848 /nfs/dbraw/zinc/74/28/48/985742848.db2.gz DWKLKTZBJQMYIV-RFQIPJPRSA-N -1 1 371.434 0.046 20 50 FCGDMM C[C@@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001593776237 996476615 /nfs/dbraw/zinc/47/66/15/996476615.db2.gz HOWROBCPIYQPMQ-MRXNPFEDSA-N -1 1 364.358 0.543 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001599579337 998501142 /nfs/dbraw/zinc/50/11/42/998501142.db2.gz NGMHXRFDQPOMIR-MWLCHTKSSA-N -1 1 369.805 0.905 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc(OC(F)F)cc1 ZINC000826425645 607397321 /nfs/dbraw/zinc/39/73/21/607397321.db2.gz MLMPKYQEFUVAFC-UHFFFAOYSA-N -1 1 351.277 0.203 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000832174793 601951500 /nfs/dbraw/zinc/95/15/00/601951500.db2.gz RVHWKYNZSPFEBM-KRWDZBQOSA-N -1 1 365.386 0.261 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)N2CCSCC2)o1 ZINC000824352561 607570539 /nfs/dbraw/zinc/57/05/39/607570539.db2.gz IOUFAZSRJSWDHM-VIFPVBQESA-N -1 1 366.451 0.859 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCc3n[nH]cc3C2)o1 ZINC000824353107 607936272 /nfs/dbraw/zinc/93/62/72/607936272.db2.gz XZXQNTSRCXVMRX-QMMMGPOBSA-N -1 1 357.378 0.949 20 50 FCGDMM C[C@H](CN1CCOCC1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824420294 608629257 /nfs/dbraw/zinc/62/92/57/608629257.db2.gz HBBPQGMMGNTCNF-SECBINFHSA-N -1 1 366.813 0.327 20 50 FCGDMM COc1cccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737137234 944966519 /nfs/dbraw/zinc/96/65/19/944966519.db2.gz CKEHVOQQXSIFMQ-UHFFFAOYSA-N -1 1 368.357 0.143 20 50 FCGDMM COc1cccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737137234 944966527 /nfs/dbraw/zinc/96/65/27/944966527.db2.gz CKEHVOQQXSIFMQ-UHFFFAOYSA-N -1 1 368.357 0.143 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccc3nnnn3c2)o1 ZINC000820203406 945377882 /nfs/dbraw/zinc/37/78/82/945377882.db2.gz UDIGBEIBHJKDJA-UHFFFAOYSA-N -1 1 355.322 0.173 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)n1 ZINC000821712667 945843667 /nfs/dbraw/zinc/84/36/67/945843667.db2.gz KRGPCKQPZMWDNO-JTQLQIEISA-N -1 1 370.373 0.884 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)c1-c1nnn[n-]1 ZINC000826348479 948076503 /nfs/dbraw/zinc/07/65/03/948076503.db2.gz OFDXEVNAAXSSJK-UHFFFAOYSA-N -1 1 370.373 0.233 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)c1-c1nn[n-]n1 ZINC000826348479 948076513 /nfs/dbraw/zinc/07/65/13/948076513.db2.gz OFDXEVNAAXSSJK-UHFFFAOYSA-N -1 1 370.373 0.233 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)Cn2ncc3cccnc32)o1 ZINC001574424911 948861279 /nfs/dbraw/zinc/86/12/79/948861279.db2.gz WIDYBIDOOHUZFG-UHFFFAOYSA-N -1 1 368.361 0.866 20 50 FCGDMM COC[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC001593968211 956585693 /nfs/dbraw/zinc/58/56/93/956585693.db2.gz YYRJZDFAMAEVGK-MRXNPFEDSA-N -1 1 369.805 0.524 20 50 FCGDMM O=C([O-])C1(C(=O)NNc2ccnc3ccccc32)CCS(=O)(=O)CC1 ZINC001574632786 962302762 /nfs/dbraw/zinc/30/27/62/962302762.db2.gz BONQKKPVHWSSKH-UHFFFAOYSA-N -1 1 363.395 0.379 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC001605380761 973338287 /nfs/dbraw/zinc/33/82/87/973338287.db2.gz OMVDVDJTBKQCRQ-GXSJLCMTSA-N -1 1 354.432 0.184 20 50 FCGDMM CC(=O)c1[nH]c(CC(=O)NNC(=O)c2scnc2C)c(C(=O)[O-])c1C ZINC000736178671 978308000 /nfs/dbraw/zinc/30/80/00/978308000.db2.gz UGRFSCQIBZECFU-UHFFFAOYSA-N -1 1 364.383 0.993 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])s2)C[C@@H](C)O1 ZINC000736811431 978358337 /nfs/dbraw/zinc/35/83/37/978358337.db2.gz QUBGWHBZMUBPRF-NXEZZACHSA-N -1 1 355.416 0.707 20 50 FCGDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)[C@@H](C)CN1CCOCC1 ZINC000738922044 978608776 /nfs/dbraw/zinc/60/87/76/978608776.db2.gz CLKXPYBEFXPTCJ-LBPRGKRZSA-N -1 1 365.434 0.393 20 50 FCGDMM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000739243249 978623687 /nfs/dbraw/zinc/62/36/87/978623687.db2.gz GWCXEHLZADFZIG-GJZGRUSLSA-N -1 1 360.414 0.067 20 50 FCGDMM Cc1[nH]c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599953006 985642022 /nfs/dbraw/zinc/64/20/22/985642022.db2.gz FARCSNDZOVVDNA-UWVGGRQHSA-N -1 1 366.418 0.590 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599579334 998501224 /nfs/dbraw/zinc/50/12/24/998501224.db2.gz NGMHXRFDQPOMIR-KOLCDFICSA-N -1 1 369.805 0.905 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000832989634 604740124 /nfs/dbraw/zinc/74/01/24/604740124.db2.gz PPAKBCYDRRKCLP-SECBINFHSA-N -1 1 354.432 0.327 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)C2CCC(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000833625104 605214047 /nfs/dbraw/zinc/21/40/47/605214047.db2.gz WFRATJKCKAAQGO-VTXSZYRJSA-N -1 1 355.435 0.524 20 50 FCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824420295 608629556 /nfs/dbraw/zinc/62/95/56/608629556.db2.gz HBBPQGMMGNTCNF-VIFPVBQESA-N -1 1 366.813 0.327 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826178991 609242646 /nfs/dbraw/zinc/24/26/46/609242646.db2.gz TZPMFWZTQQATIP-GFCCVEGCSA-N -1 1 356.346 0.150 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737068772 944941478 /nfs/dbraw/zinc/94/14/78/944941478.db2.gz UKMLLPUHNHZJFF-UHFFFAOYSA-N -1 1 369.341 0.354 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737068772 944941489 /nfs/dbraw/zinc/94/14/89/944941489.db2.gz UKMLLPUHNHZJFF-UHFFFAOYSA-N -1 1 369.341 0.354 20 50 FCGDMM CSc1[nH]c(=O)c(C(=O)NNC(=O)CCC(C)C)cc1-c1nn[n-]n1 ZINC000737185690 944978038 /nfs/dbraw/zinc/97/80/38/944978038.db2.gz BHHPPEZJLZRCJU-UHFFFAOYSA-N -1 1 365.419 0.886 20 50 FCGDMM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737363923 945048673 /nfs/dbraw/zinc/04/86/73/945048673.db2.gz GTRCNMQHYRURLQ-UHFFFAOYSA-N -1 1 353.342 0.410 20 50 FCGDMM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737363923 945048683 /nfs/dbraw/zinc/04/86/83/945048683.db2.gz GTRCNMQHYRURLQ-UHFFFAOYSA-N -1 1 353.342 0.410 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCC(=O)N(C)C)o1 ZINC000820202397 945376248 /nfs/dbraw/zinc/37/62/48/945376248.db2.gz HPKARZDFXOHOCM-UHFFFAOYSA-N -1 1 350.383 0.680 20 50 FCGDMM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823074816 946303703 /nfs/dbraw/zinc/30/37/03/946303703.db2.gz XIVZIOPCWZFVAA-UHFFFAOYSA-N -1 1 362.400 0.405 20 50 FCGDMM CCc1ccc(C(=O)NNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825705045 947294628 /nfs/dbraw/zinc/29/46/28/947294628.db2.gz VALDLRXJVZXIEQ-UHFFFAOYSA-N -1 1 355.358 0.729 20 50 FCGDMM CCc1ccc(C(=O)NNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825705045 947294635 /nfs/dbraw/zinc/29/46/35/947294635.db2.gz VALDLRXJVZXIEQ-UHFFFAOYSA-N -1 1 355.358 0.729 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)COc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826292338 947849269 /nfs/dbraw/zinc/84/92/69/947849269.db2.gz QVLPTCYHFVLMMG-UHFFFAOYSA-N -1 1 371.357 0.240 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)COc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826292338 947849275 /nfs/dbraw/zinc/84/92/75/947849275.db2.gz QVLPTCYHFVLMMG-UHFFFAOYSA-N -1 1 371.357 0.240 20 50 FCGDMM Cc1onc(CC(=O)NNc2oc(C(C)C)nc2C#N)c1-c1nnn[n-]1 ZINC000826348486 948075263 /nfs/dbraw/zinc/07/52/63/948075263.db2.gz ONUBBMQOWQEMOG-UHFFFAOYSA-N -1 1 357.334 0.832 20 50 FCGDMM Cc1onc(CC(=O)NNc2oc(C(C)C)nc2C#N)c1-c1nn[n-]n1 ZINC000826348486 948075271 /nfs/dbraw/zinc/07/52/71/948075271.db2.gz ONUBBMQOWQEMOG-UHFFFAOYSA-N -1 1 357.334 0.832 20 50 FCGDMM Cc1onc(CC(=O)NN=c2nc[nH]c3ccsc32)c1-c1nnn[n-]1 ZINC000826348578 948077826 /nfs/dbraw/zinc/07/78/26/948077826.db2.gz TZDWKHWMCQQPQK-UHFFFAOYSA-N -1 1 357.359 0.854 20 50 FCGDMM Cc1onc(CC(=O)NN=c2nc[nH]c3ccsc32)c1-c1nn[n-]n1 ZINC000826348578 948077833 /nfs/dbraw/zinc/07/78/33/948077833.db2.gz TZDWKHWMCQQPQK-UHFFFAOYSA-N -1 1 357.359 0.854 20 50 FCGDMM O=C([O-])CC[N@H+](CC(=O)N[N-]C(=O)c1cccs1)C1CCOCC1 ZINC001595055774 951496340 /nfs/dbraw/zinc/49/63/40/951496340.db2.gz GPYGIXHLNDMWGI-UHFFFAOYSA-N -1 1 355.416 0.465 20 50 FCGDMM O=C([O-])CC[N@@H+](CC(=O)N[N-]C(=O)c1cccs1)C1CCOCC1 ZINC001595055774 951496346 /nfs/dbraw/zinc/49/63/46/951496346.db2.gz GPYGIXHLNDMWGI-UHFFFAOYSA-N -1 1 355.416 0.465 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)C[C@@H](C)O1 ZINC001589395195 954360993 /nfs/dbraw/zinc/36/09/93/954360993.db2.gz GNQDTCQJQWWVEP-XNJGSVPQSA-N -1 1 353.419 0.444 20 50 FCGDMM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000736418010 978333382 /nfs/dbraw/zinc/33/33/82/978333382.db2.gz ZTGWWOYGDXBTTC-FRRDWIJNSA-N -1 1 358.439 0.315 20 50 FCGDMM CCc1sc(C(=O)NNC(=O)CN2CCN(CC(=O)[O-])CC2)cc1C ZINC001597818173 989451764 /nfs/dbraw/zinc/45/17/64/989451764.db2.gz MLRGACBSKLLSCL-UHFFFAOYSA-N -1 1 368.459 0.082 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000828449013 601208812 /nfs/dbraw/zinc/20/88/12/601208812.db2.gz IABOJQSBAQVKMH-SYQHCUMBSA-N -1 1 355.435 0.524 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000832174867 601528791 /nfs/dbraw/zinc/52/87/91/601528791.db2.gz XQPHWEIGPRDIHM-PWSUYJOCSA-N -1 1 365.386 0.117 20 50 FCGDMM C[C@H](CC(=O)[O-])C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000827304723 602066028 /nfs/dbraw/zinc/06/60/28/602066028.db2.gz ZMLZDJGWMNOVGE-CQSZACIVSA-N -1 1 362.430 0.457 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCn3cncc3C2)o1 ZINC000824352865 607570417 /nfs/dbraw/zinc/57/04/17/607570417.db2.gz QAQPDJIWSSKTMT-VIFPVBQESA-N -1 1 357.378 0.880 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)n1 ZINC000832989635 604740016 /nfs/dbraw/zinc/74/00/16/604740016.db2.gz PPAKBCYDRRKCLP-VIFPVBQESA-N -1 1 354.432 0.327 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)C2CCC(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000833625102 605213999 /nfs/dbraw/zinc/21/39/99/605213999.db2.gz WFRATJKCKAAQGO-FEPKRQSRSA-N -1 1 355.435 0.524 20 50 FCGDMM O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738130109 945206160 /nfs/dbraw/zinc/20/61/60/945206160.db2.gz KECPOKBMMMQOLA-ZDUSSCGKSA-N -1 1 351.326 0.026 20 50 FCGDMM O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738130109 945206168 /nfs/dbraw/zinc/20/61/68/945206168.db2.gz KECPOKBMMMQOLA-ZDUSSCGKSA-N -1 1 351.326 0.026 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)COC2CCOCC2)o1 ZINC000735939202 944719789 /nfs/dbraw/zinc/71/97/89/944719789.db2.gz LIINUDDOEKZXFY-UHFFFAOYSA-N -1 1 351.367 0.617 20 50 FCGDMM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736174180 944752981 /nfs/dbraw/zinc/75/29/81/944752981.db2.gz LBAFKKQLWKYWQV-VIFPVBQESA-N -1 1 371.332 0.629 20 50 FCGDMM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736174180 944752992 /nfs/dbraw/zinc/75/29/92/944752992.db2.gz LBAFKKQLWKYWQV-VIFPVBQESA-N -1 1 371.332 0.629 20 50 FCGDMM COC(=O)N[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C ZINC000736935690 944914583 /nfs/dbraw/zinc/91/45/83/944914583.db2.gz KKKDOZZVHSTEOE-MRVPVSSYSA-N -1 1 366.382 0.802 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2nccn3ccnc23)o1 ZINC000820202005 945373515 /nfs/dbraw/zinc/37/35/15/945373515.db2.gz DKRDHDIWMZKNIX-UHFFFAOYSA-N -1 1 354.334 0.778 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CNC(=O)c2cccnc2)o1 ZINC000820202987 945378034 /nfs/dbraw/zinc/37/80/34/945378034.db2.gz NPXPNNKTKHXCBY-UHFFFAOYSA-N -1 1 371.361 0.246 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1csc(N2CCOCC2)n1 ZINC000823273342 946376861 /nfs/dbraw/zinc/37/68/61/946376861.db2.gz KIMKJAJHCDMSKM-UHFFFAOYSA-N -1 1 374.386 0.517 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1csc(N2CCOCC2)n1 ZINC000823273342 946376872 /nfs/dbraw/zinc/37/68/72/946376872.db2.gz KIMKJAJHCDMSKM-UHFFFAOYSA-N -1 1 374.386 0.517 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)CCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826348409 948071917 /nfs/dbraw/zinc/07/19/17/948071917.db2.gz KWOOXJUPSDRLBD-UHFFFAOYSA-N -1 1 369.385 0.876 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)CCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826348409 948071925 /nfs/dbraw/zinc/07/19/25/948071925.db2.gz KWOOXJUPSDRLBD-UHFFFAOYSA-N -1 1 369.385 0.876 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2c3c(nn2C)CCC3)o1 ZINC001574424544 948852666 /nfs/dbraw/zinc/85/26/66/948852666.db2.gz PGXNRRUOGCNTCA-UHFFFAOYSA-N -1 1 357.378 0.957 20 50 FCGDMM O=C([O-])CCCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC001595027684 951353715 /nfs/dbraw/zinc/35/37/15/951353715.db2.gz DGFIWOMQKBXJJJ-UHFFFAOYSA-N -1 1 362.430 0.601 20 50 FCGDMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589277722 953469252 /nfs/dbraw/zinc/46/92/52/953469252.db2.gz CFYASRLZEVEDLL-CMPLNLGQSA-N -1 1 364.358 0.398 20 50 FCGDMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603234311 972362813 /nfs/dbraw/zinc/36/28/13/972362813.db2.gz LHZDXEPDQXADEI-SECBINFHSA-N -1 1 368.353 0.918 20 50 FCGDMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NNc1ncccc1C(=O)[O-] ZINC001594463545 959480941 /nfs/dbraw/zinc/48/09/41/959480941.db2.gz FGXPPAPKQQIZDQ-UHFFFAOYSA-N -1 1 356.342 0.831 20 50 FCGDMM C[C@@H](Oc1ccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc1)C(=O)[O-] ZINC000794879273 978824902 /nfs/dbraw/zinc/82/49/02/978824902.db2.gz MOTUMOYMPHMINL-UONOGXRCSA-N -1 1 363.414 0.957 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@H](C)O1 ZINC001594509641 985780848 /nfs/dbraw/zinc/78/08/48/985780848.db2.gz WFRATJKCKAAQGO-XUXIUFHCSA-N -1 1 355.435 0.524 20 50 FCGDMM COc1cccc([C@@H](CNC(=O)NNC(=O)C(=O)[O-])N2CCCC2)c1 ZINC001599657305 994602460 /nfs/dbraw/zinc/60/24/60/994602460.db2.gz MNPRGQZUWRLHSL-CYBMUJFWSA-N -1 1 350.375 0.247 20 50 FCGDMM C[C@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001593776235 996476909 /nfs/dbraw/zinc/47/69/09/996476909.db2.gz HOWROBCPIYQPMQ-INIZCTEOSA-N -1 1 364.358 0.543 20 50 FCGDMM O=C([N-]NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000826445356 609409959 /nfs/dbraw/zinc/40/99/59/609409959.db2.gz QRGURCDBZWYJOS-UHFFFAOYSA-N -1 1 363.341 0.660 20 50 FCGDMM O=C(NNC(=O)c1cccc2cccnc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738134672 945221234 /nfs/dbraw/zinc/22/12/34/945221234.db2.gz QDSXFKUOEFLQJR-UHFFFAOYSA-N -1 1 360.337 0.885 20 50 FCGDMM O=C(NNC(=O)c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738134672 945221240 /nfs/dbraw/zinc/22/12/40/945221240.db2.gz QDSXFKUOEFLQJR-UHFFFAOYSA-N -1 1 360.337 0.885 20 50 FCGDMM CCNC(=O)CCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736572402 944846390 /nfs/dbraw/zinc/84/63/90/944846390.db2.gz BAWNEFLNWHHWQY-UHFFFAOYSA-N -1 1 350.383 0.728 20 50 FCGDMM CNC(=O)c1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cn1 ZINC000736878252 944903841 /nfs/dbraw/zinc/90/38/41/944903841.db2.gz BDOKBPZKUYAUCB-UHFFFAOYSA-N -1 1 371.361 0.490 20 50 FCGDMM COc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737152910 944970778 /nfs/dbraw/zinc/97/07/78/944970778.db2.gz UTAWWCNCIGISFF-UHFFFAOYSA-N -1 1 369.341 0.110 20 50 FCGDMM COc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737152910 944970785 /nfs/dbraw/zinc/97/07/85/944970785.db2.gz UTAWWCNCIGISFF-UHFFFAOYSA-N -1 1 369.341 0.110 20 50 FCGDMM C[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730035 948575875 /nfs/dbraw/zinc/57/58/75/948575875.db2.gz KPPYICPVXJXCII-YFKPBYRVSA-N -1 1 369.176 0.864 20 50 FCGDMM O=C([O-])C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001594986834 951018076 /nfs/dbraw/zinc/01/80/76/951018076.db2.gz DPRRNSLKMBRIIE-ZDUSSCGKSA-N -1 1 364.358 0.685 20 50 FCGDMM O=C([O-])[C@@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC001574521610 961857355 /nfs/dbraw/zinc/85/73/55/961857355.db2.gz MNVZESUOWNJZBE-QGZVFWFLSA-N -1 1 374.441 0.457 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001605380764 973338508 /nfs/dbraw/zinc/33/85/08/973338508.db2.gz OMVDVDJTBKQCRQ-ONGXEEELSA-N -1 1 354.432 0.184 20 50 FCGDMM C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794879470 978824567 /nfs/dbraw/zinc/82/45/67/978824567.db2.gz MOTUMOYMPHMINL-ZIAGYGMSSA-N -1 1 363.414 0.957 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C[C@H](C)O1 ZINC001594508156 985742726 /nfs/dbraw/zinc/74/27/26/985742726.db2.gz DWKLKTZBJQMYIV-XDQVBPFNSA-N -1 1 371.434 0.046 20 50 FCGDMM C[C@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001593776232 996475745 /nfs/dbraw/zinc/47/57/45/996475745.db2.gz HNCKFKNVCSQZBK-INIZCTEOSA-N -1 1 364.358 0.543 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000832174868 601528578 /nfs/dbraw/zinc/52/85/78/601528578.db2.gz XQPHWEIGPRDIHM-ZYHUDNBSSA-N -1 1 365.386 0.117 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2cncc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833618979 605028015 /nfs/dbraw/zinc/02/80/15/605028015.db2.gz HTDDXYHNFMRFQP-PHIMTYICSA-N -1 1 350.375 0.040 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccc(C(N)=O)n2)o1 ZINC000824358543 609413181 /nfs/dbraw/zinc/41/31/81/609413181.db2.gz MVRQPJZHHWMRTK-UHFFFAOYSA-N -1 1 357.334 0.229 20 50 FCGDMM O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737919943 945155087 /nfs/dbraw/zinc/15/50/87/945155087.db2.gz OHVRGTAHHVCCGT-UHFFFAOYSA-N -1 1 357.305 0.241 20 50 FCGDMM O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737919943 945155090 /nfs/dbraw/zinc/15/50/90/945155090.db2.gz OHVRGTAHHVCCGT-UHFFFAOYSA-N -1 1 357.305 0.241 20 50 FCGDMM C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735391629 944646091 /nfs/dbraw/zinc/64/60/91/944646091.db2.gz WBGKWHXBXRZMBU-UHFFFAOYSA-N -1 1 364.394 0.874 20 50 FCGDMM C#Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735391629 944646098 /nfs/dbraw/zinc/64/60/98/944646098.db2.gz WBGKWHXBXRZMBU-UHFFFAOYSA-N -1 1 364.394 0.874 20 50 FCGDMM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736174178 944754218 /nfs/dbraw/zinc/75/42/18/944754218.db2.gz LBAFKKQLWKYWQV-SECBINFHSA-N -1 1 371.332 0.629 20 50 FCGDMM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736174178 944754223 /nfs/dbraw/zinc/75/42/23/944754223.db2.gz LBAFKKQLWKYWQV-SECBINFHSA-N -1 1 371.332 0.629 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)n1 ZINC000821712668 945843335 /nfs/dbraw/zinc/84/33/35/945843335.db2.gz KRGPCKQPZMWDNO-SNVBAGLBSA-N -1 1 370.373 0.884 20 50 FCGDMM Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000822645977 946146806 /nfs/dbraw/zinc/14/68/06/946146806.db2.gz ZMNXCWJHQXDIGV-UHFFFAOYSA-N -1 1 361.749 0.639 20 50 FCGDMM O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823005329 946262088 /nfs/dbraw/zinc/26/20/88/946262088.db2.gz MJOVZDVDCXYWNX-UHFFFAOYSA-N -1 1 356.371 0.203 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826348678 948080083 /nfs/dbraw/zinc/08/00/83/948080083.db2.gz YKSHEMIXALWVPH-UHFFFAOYSA-N -1 1 361.749 0.820 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826348678 948080091 /nfs/dbraw/zinc/08/00/91/948080091.db2.gz YKSHEMIXALWVPH-UHFFFAOYSA-N -1 1 361.749 0.820 20 50 FCGDMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589277726 953469084 /nfs/dbraw/zinc/46/90/84/953469084.db2.gz CFYASRLZEVEDLL-PWSUYJOCSA-N -1 1 364.358 0.398 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000738015940 955231784 /nfs/dbraw/zinc/23/17/84/955231784.db2.gz NFJXUJTUHMJGFM-VIFPVBQESA-N -1 1 357.794 0.762 20 50 FCGDMM CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCC(=O)[O-])nc1 ZINC000817914618 955384045 /nfs/dbraw/zinc/38/40/45/955384045.db2.gz ZGRWCPWHKWMOPX-UHFFFAOYSA-N -1 1 359.408 0.259 20 50 FCGDMM C[C@](CC(=O)[O-])(NCC(=O)NNC(=O)c1ccccc1)c1ccncc1 ZINC001592319965 977712882 /nfs/dbraw/zinc/71/28/82/977712882.db2.gz GLFBCHIKGOYGON-GOSISDBHSA-N -1 1 356.382 0.822 20 50 FCGDMM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000736418011 978333411 /nfs/dbraw/zinc/33/34/11/978333411.db2.gz ZTGWWOYGDXBTTC-UPJWGTAASA-N -1 1 358.439 0.315 20 50 FCGDMM Cc1[nH]c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599953005 985642044 /nfs/dbraw/zinc/64/20/44/985642044.db2.gz FARCSNDZOVVDNA-NXEZZACHSA-N -1 1 366.418 0.590 20 50 FCGDMM O=C([O-])c1cn(CC(=O)NNC(=O)c2ccc(Br)s2)nn1 ZINC000833121404 601272968 /nfs/dbraw/zinc/27/29/68/601272968.db2.gz SWOIXSGLVUTRLY-UHFFFAOYSA-N -1 1 374.176 0.262 20 50 FCGDMM C[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000828024817 601940769 /nfs/dbraw/zinc/94/07/69/601940769.db2.gz XMLDPQVFRYWVPL-HNNXBMFYSA-N -1 1 350.331 0.152 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc(Cl)cc1Cl ZINC000826425838 607712476 /nfs/dbraw/zinc/71/24/76/607712476.db2.gz WDKXLKZZAXPGGU-UHFFFAOYSA-N -1 1 354.161 0.908 20 50 FCGDMM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738130108 945207101 /nfs/dbraw/zinc/20/71/01/945207101.db2.gz KECPOKBMMMQOLA-CYBMUJFWSA-N -1 1 351.326 0.026 20 50 FCGDMM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738130108 945207109 /nfs/dbraw/zinc/20/71/09/945207109.db2.gz KECPOKBMMMQOLA-CYBMUJFWSA-N -1 1 351.326 0.026 20 50 FCGDMM O=C(NNC(=S)NCCc1cccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738134771 945222784 /nfs/dbraw/zinc/22/27/84/945222784.db2.gz SUXZZFXUTXUCDV-UHFFFAOYSA-N -1 1 374.455 0.675 20 50 FCGDMM O=C(NNC(=S)NCCc1cccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738134771 945222791 /nfs/dbraw/zinc/22/27/91/945222791.db2.gz SUXZZFXUTXUCDV-UHFFFAOYSA-N -1 1 374.455 0.675 20 50 FCGDMM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738137187 945242501 /nfs/dbraw/zinc/24/25/01/945242501.db2.gz RVXAMDDPZRXLBS-UHFFFAOYSA-N -1 1 367.325 0.108 20 50 FCGDMM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738137187 945242503 /nfs/dbraw/zinc/24/25/03/945242503.db2.gz RVXAMDDPZRXLBS-UHFFFAOYSA-N -1 1 367.325 0.108 20 50 FCGDMM COC(=O)N(C)CCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736932879 944913076 /nfs/dbraw/zinc/91/30/76/944913076.db2.gz VZPKTWPXBUPBRY-UHFFFAOYSA-N -1 1 366.382 0.900 20 50 FCGDMM COC(=O)NCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736936702 944914123 /nfs/dbraw/zinc/91/41/23/944914123.db2.gz GYXNRNRPMNFHRC-UHFFFAOYSA-N -1 1 352.355 0.557 20 50 FCGDMM COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737152035 944969548 /nfs/dbraw/zinc/96/95/48/944969548.db2.gz KUVRKFJJDBJABC-UHFFFAOYSA-N -1 1 370.398 0.902 20 50 FCGDMM COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737152035 944969554 /nfs/dbraw/zinc/96/95/54/944969554.db2.gz KUVRKFJJDBJABC-UHFFFAOYSA-N -1 1 370.398 0.902 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC000821712625 945842023 /nfs/dbraw/zinc/84/20/23/945842023.db2.gz KAMDJJZCQHVXIQ-UHFFFAOYSA-N -1 1 373.352 0.939 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826348523 948076623 /nfs/dbraw/zinc/07/66/23/948076623.db2.gz QNQKROUSGWPHRW-UHFFFAOYSA-N -1 1 372.301 0.075 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826348523 948076636 /nfs/dbraw/zinc/07/66/36/948076636.db2.gz QNQKROUSGWPHRW-UHFFFAOYSA-N -1 1 372.301 0.075 20 50 FCGDMM O=C([O-])CN1CCCC[C@@H](NC(=O)NNc2ccnc3cccnc32)C1=O ZINC001595094902 951806060 /nfs/dbraw/zinc/80/60/60/951806060.db2.gz XWMVXHKBEFWAPS-CYBMUJFWSA-N -1 1 372.385 0.144 20 50 FCGDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001589278844 953477409 /nfs/dbraw/zinc/47/74/09/953477409.db2.gz IOOYUOUVRMZELM-ZYHUDNBSSA-N -1 1 364.358 0.398 20 50 FCGDMM O=C([O-])C1(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCC1 ZINC001574521418 961857579 /nfs/dbraw/zinc/85/75/79/961857579.db2.gz KAYSPYPNBPPRQO-UHFFFAOYSA-N -1 1 374.441 0.601 20 50 FCGDMM C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)N1CCN(C)CC1 ZINC001592676655 979097063 /nfs/dbraw/zinc/09/70/63/979097063.db2.gz UBUWNTHRUVRIBF-LLVKDONJSA-N -1 1 353.398 0.786 20 50 FCGDMM CS(=O)(=O)Nc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cn1 ZINC001599760338 992112754 /nfs/dbraw/zinc/11/27/54/992112754.db2.gz LXZXRNCKIZDXQH-UHFFFAOYSA-N -1 1 350.356 0.908 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN(CCC(=O)[O-])C(C)C)cc1OC ZINC001599485083 996834242 /nfs/dbraw/zinc/83/42/42/996834242.db2.gz VJTQLUMUXLOQPL-UHFFFAOYSA-N -1 1 367.402 0.650 20 50 FCGDMM CC(=O)N1CC[C@@](C)(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000819789573 945292326 /nfs/dbraw/zinc/29/23/26/945292326.db2.gz USNOTFVOAVBTSC-OAHLLOKOSA-N -1 1 362.394 0.680 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)CCOc2ccccc2)c1-c1nnn[n-]1 ZINC000826348411 948072163 /nfs/dbraw/zinc/07/21/63/948072163.db2.gz KYIBVRXJYZAGBS-UHFFFAOYSA-N -1 1 371.357 0.322 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)CCOc2ccccc2)c1-c1nn[n-]n1 ZINC000826348411 948072174 /nfs/dbraw/zinc/07/21/74/948072174.db2.gz KYIBVRXJYZAGBS-UHFFFAOYSA-N -1 1 371.357 0.322 20 50 FCGDMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603234312 972362079 /nfs/dbraw/zinc/36/20/79/972362079.db2.gz LHZDXEPDQXADEI-VIFPVBQESA-N -1 1 368.353 0.918 20 50 FCGDMM CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])nc1 ZINC001591668985 975427491 /nfs/dbraw/zinc/42/74/91/975427491.db2.gz HXZLZFNGBNARLS-MWLCHTKSSA-N -1 1 371.419 0.115 20 50 FCGDMM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000739243252 978623670 /nfs/dbraw/zinc/62/36/70/978623670.db2.gz GWCXEHLZADFZIG-HUUCEWRRSA-N -1 1 360.414 0.067 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832362723 601503316 /nfs/dbraw/zinc/50/33/16/601503316.db2.gz PWAMDCLORNVKKX-SKDRFNHKSA-N -1 1 369.805 0.762 20 50 FCGDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828023863 601953069 /nfs/dbraw/zinc/95/30/69/601953069.db2.gz DMUJCCPYKCBESH-OAHLLOKOSA-N -1 1 350.331 0.152 20 50 FCGDMM CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)C1=S=C(c2nn[n-]n2)C=C1 ZINC000823948032 608091315 /nfs/dbraw/zinc/09/13/15/608091315.db2.gz BXIDPSNGSGWAFF-UHFFFAOYSA-N -1 1 357.355 0.910 20 50 FCGDMM CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948666 608094278 /nfs/dbraw/zinc/09/42/78/608094278.db2.gz UDUGUBTUFRTRRC-QMMMGPOBSA-N -1 1 369.432 0.139 20 50 FCGDMM O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cc(-c2ccccc2)[nH]n1 ZINC000826445408 608106184 /nfs/dbraw/zinc/10/61/84/608106184.db2.gz STEDGMUKPMNDAL-UHFFFAOYSA-N -1 1 363.341 0.660 20 50 FCGDMM Cc1nc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c(=O)[nH]c1C ZINC000826323800 608120650 /nfs/dbraw/zinc/12/06/50/608120650.db2.gz RWAIAYVQMLAZPK-UHFFFAOYSA-N -1 1 359.350 0.435 20 50 FCGDMM COc1cccc(NNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)n1 ZINC000826216761 609173859 /nfs/dbraw/zinc/17/38/59/609173859.db2.gz MJIWFVNZINCWQQ-UHFFFAOYSA-N -1 1 374.386 0.850 20 50 FCGDMM O=C(CCc1ccccc1O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737857478 945140395 /nfs/dbraw/zinc/14/03/95/945140395.db2.gz RBEOHCIBQUIOQD-UHFFFAOYSA-N -1 1 353.342 0.361 20 50 FCGDMM O=C(CCc1ccccc1O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737857478 945140400 /nfs/dbraw/zinc/14/04/00/945140400.db2.gz RBEOHCIBQUIOQD-UHFFFAOYSA-N -1 1 353.342 0.361 20 50 FCGDMM Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737326055 945039656 /nfs/dbraw/zinc/03/96/56/945039656.db2.gz KDXQAQQTEYGMKC-UHFFFAOYSA-N -1 1 367.369 0.719 20 50 FCGDMM Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737326055 945039666 /nfs/dbraw/zinc/03/96/66/945039666.db2.gz KDXQAQQTEYGMKC-UHFFFAOYSA-N -1 1 367.369 0.719 20 50 FCGDMM Cc1cc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000822176186 945969823 /nfs/dbraw/zinc/96/98/23/945969823.db2.gz HEHLSRRKUPVJJC-VIFPVBQESA-N -1 1 356.346 0.127 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)C1CCN(c2ncccn2)CC1 ZINC000823273716 946384775 /nfs/dbraw/zinc/38/47/75/946384775.db2.gz UYILGLSTEPRBDO-UHFFFAOYSA-N -1 1 367.373 0.616 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)C1CCN(c2ncccn2)CC1 ZINC000823273716 946384787 /nfs/dbraw/zinc/38/47/87/946384787.db2.gz UYILGLSTEPRBDO-UHFFFAOYSA-N -1 1 367.373 0.616 20 50 FCGDMM CC(=O)N[C@@H](CC(C)C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000823994528 946535188 /nfs/dbraw/zinc/53/51/88/946535188.db2.gz KEZYKRIDYHORSP-JTQLQIEISA-N -1 1 364.410 0.972 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)COCc2ccccc2)c1-c1nnn[n-]1 ZINC000826348529 948075863 /nfs/dbraw/zinc/07/58/63/948075863.db2.gz QRFXFIUHMMAEBO-UHFFFAOYSA-N -1 1 371.357 0.070 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)COCc2ccccc2)c1-c1nn[n-]n1 ZINC000826348529 948075872 /nfs/dbraw/zinc/07/58/72/948075872.db2.gz QRFXFIUHMMAEBO-UHFFFAOYSA-N -1 1 371.357 0.070 20 50 FCGDMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001589278841 953476393 /nfs/dbraw/zinc/47/63/93/953476393.db2.gz IOOYUOUVRMZELM-PWSUYJOCSA-N -1 1 364.358 0.398 20 50 FCGDMM O=C([O-])[C@@]12COC[C@@H]1CN(CC(=O)NNC(=O)c1cccc(Cl)c1)C2 ZINC001594694599 956761091 /nfs/dbraw/zinc/76/10/91/956761091.db2.gz GAXQMHMHIXSFRY-ZBEGNZNMSA-N -1 1 367.789 0.134 20 50 FCGDMM Cc1ccccc1CC(=O)NNC(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594417696 959022570 /nfs/dbraw/zinc/02/25/70/959022570.db2.gz OYXUBVJWXQIPOS-KRWDZBQOSA-N -1 1 369.421 0.970 20 50 FCGDMM CCN(CC)S(=O)(=O)c1ccc(=NNC(=O)NC[C@@H](C)C(=O)[O-])[nH]c1 ZINC000848587717 969266287 /nfs/dbraw/zinc/26/62/87/969266287.db2.gz KBPWOGGORSNKPZ-SNVBAGLBSA-N -1 1 373.435 0.459 20 50 FCGDMM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001605140547 972809578 /nfs/dbraw/zinc/80/95/78/972809578.db2.gz BZAHVNIJEQDTRQ-STQMWFEESA-N -1 1 363.414 0.954 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC001605380762 973337974 /nfs/dbraw/zinc/33/79/74/973337974.db2.gz OMVDVDJTBKQCRQ-KOLCDFICSA-N -1 1 354.432 0.184 20 50 FCGDMM O=C([O-])[C@H]1C[C@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000739243247 978623676 /nfs/dbraw/zinc/62/36/76/978623676.db2.gz GWCXEHLZADFZIG-CABCVRRESA-N -1 1 360.414 0.067 20 50 FCGDMM CS(=O)(=O)c1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826224100 607357794 /nfs/dbraw/zinc/35/77/94/607357794.db2.gz OGFNMMQWHRJBEZ-UHFFFAOYSA-N -1 1 359.371 0.422 20 50 FCGDMM CS(=O)(=O)c1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826224100 607357796 /nfs/dbraw/zinc/35/77/96/607357796.db2.gz OGFNMMQWHRJBEZ-UHFFFAOYSA-N -1 1 359.371 0.422 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc(OC(F)(F)F)cc1 ZINC000826425740 607391932 /nfs/dbraw/zinc/39/19/32/607391932.db2.gz QZIKKYBAQXHOFG-UHFFFAOYSA-N -1 1 369.267 0.500 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000828449009 601208837 /nfs/dbraw/zinc/20/88/37/601208837.db2.gz IABOJQSBAQVKMH-AAVRWANBSA-N -1 1 355.435 0.524 20 50 FCGDMM CCC(=O)N1CC[C@@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000825034419 607509164 /nfs/dbraw/zinc/50/91/64/607509164.db2.gz KCEUVEVIHGMKLO-SECBINFHSA-N -1 1 362.394 0.680 20 50 FCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000828442275 601532970 /nfs/dbraw/zinc/53/29/70/601532970.db2.gz ZRLLTQHXNTZWOY-JOYOIKCWSA-N -1 1 350.331 0.008 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)c2cncc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833618980 605028229 /nfs/dbraw/zinc/02/82/29/605028229.db2.gz HTDDXYHNFMRFQP-QWRGUYRKSA-N -1 1 350.375 0.040 20 50 FCGDMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NN=c1ncc(F)c[nH]1 ZINC000826232882 608037918 /nfs/dbraw/zinc/03/79/18/608037918.db2.gz MDKLHFGSYFFUBJ-UHFFFAOYSA-N -1 1 373.352 0.589 20 50 FCGDMM Cc1nnc(SCC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)[nH]1 ZINC000826322570 608581900 /nfs/dbraw/zinc/58/19/00/608581900.db2.gz SCAUNUYFYIUYKL-UHFFFAOYSA-N -1 1 366.798 0.577 20 50 FCGDMM CCC(=O)NNC(=O)[C@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000736301500 944791105 /nfs/dbraw/zinc/79/11/05/944791105.db2.gz CZNDRZFWLLTMIY-ZETCQYMHSA-N -1 1 350.408 0.312 20 50 FCGDMM Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737250105 945019575 /nfs/dbraw/zinc/01/95/75/945019575.db2.gz IBCJCIXKDBANBT-UHFFFAOYSA-N -1 1 367.369 0.719 20 50 FCGDMM Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737250105 945019586 /nfs/dbraw/zinc/01/95/86/945019586.db2.gz IBCJCIXKDBANBT-UHFFFAOYSA-N -1 1 367.369 0.719 20 50 FCGDMM Cc1cc(NNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ncn1 ZINC000737281109 945031033 /nfs/dbraw/zinc/03/10/33/945031033.db2.gz PMOFVRWEFPGOTM-UHFFFAOYSA-N -1 1 369.389 0.758 20 50 FCGDMM CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821589357 945728163 /nfs/dbraw/zinc/72/81/63/945728163.db2.gz KLTANQGTKSXXHT-UHFFFAOYSA-N -1 1 367.373 0.794 20 50 FCGDMM COc1ccccc1C(=O)NNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826218266 947647033 /nfs/dbraw/zinc/64/70/33/947647033.db2.gz WJKMZMDIJBXFQQ-UHFFFAOYSA-N -1 1 357.330 0.175 20 50 FCGDMM COc1ccccc1C(=O)NNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826218266 947647037 /nfs/dbraw/zinc/64/70/37/947647037.db2.gz WJKMZMDIJBXFQQ-UHFFFAOYSA-N -1 1 357.330 0.175 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)CCc2ccccc2)c1-c1nnn[n-]1 ZINC000826348410 948072252 /nfs/dbraw/zinc/07/22/52/948072252.db2.gz KXAFDZHMVIMBSS-UHFFFAOYSA-N -1 1 355.358 0.486 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)CCc2ccccc2)c1-c1nn[n-]n1 ZINC000826348410 948072260 /nfs/dbraw/zinc/07/22/60/948072260.db2.gz KXAFDZHMVIMBSS-UHFFFAOYSA-N -1 1 355.358 0.486 20 50 FCGDMM CC(C)(C)OC(=O)NCCNC(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC001573861135 950441205 /nfs/dbraw/zinc/44/12/05/950441205.db2.gz VAEOHYMAKLPKEN-UHFFFAOYSA-N -1 1 363.382 0.413 20 50 FCGDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589277731 953470313 /nfs/dbraw/zinc/47/03/13/953470313.db2.gz CFYASRLZEVEDLL-ZYHUDNBSSA-N -1 1 364.358 0.398 20 50 FCGDMM N#Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001594617623 956251903 /nfs/dbraw/zinc/25/19/03/956251903.db2.gz HBYOOLBSLZFINR-LSDHHAIUSA-N -1 1 356.382 0.362 20 50 FCGDMM Cc1ccccc1CC(=O)NNC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594417697 959022239 /nfs/dbraw/zinc/02/22/39/959022239.db2.gz OYXUBVJWXQIPOS-QGZVFWFLSA-N -1 1 369.421 0.970 20 50 FCGDMM O=C([O-])CN1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1=O ZINC001606253251 973571881 /nfs/dbraw/zinc/57/18/81/973571881.db2.gz MXAGDDDOFQUUNF-SNVBAGLBSA-N -1 1 369.761 0.130 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])s2)C[C@H](C)O1 ZINC000736811433 978358178 /nfs/dbraw/zinc/35/81/78/978358178.db2.gz QUBGWHBZMUBPRF-UWVGGRQHSA-N -1 1 355.416 0.707 20 50 FCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001591111886 991774113 /nfs/dbraw/zinc/77/41/13/991774113.db2.gz WYOGKYJGNNQESF-UGSOOPFHSA-N -1 1 369.462 0.650 20 50 FCGDMM CN1CCN(C(C)(C)CNC(=O)NNc2ccc(CC(=O)[O-])cc2)CC1 ZINC001598612788 993814023 /nfs/dbraw/zinc/81/40/23/993814023.db2.gz YHJFZXUKSAPOLQ-UHFFFAOYSA-N -1 1 363.462 0.966 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000828449014 601208650 /nfs/dbraw/zinc/20/86/50/601208650.db2.gz IABOJQSBAQVKMH-XJFOESAGSA-N -1 1 355.435 0.524 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832362721 601503323 /nfs/dbraw/zinc/50/33/23/601503323.db2.gz PWAMDCLORNVKKX-CABZTGNLSA-N -1 1 369.805 0.762 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000832174865 601528982 /nfs/dbraw/zinc/52/89/82/601528982.db2.gz XQPHWEIGPRDIHM-CMPLNLGQSA-N -1 1 365.386 0.117 20 50 FCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000828442274 601532739 /nfs/dbraw/zinc/53/27/39/601532739.db2.gz ZRLLTQHXNTZWOY-CABZTGNLSA-N -1 1 350.331 0.008 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000832363230 601922267 /nfs/dbraw/zinc/92/22/67/601922267.db2.gz YOQMJTNAXHBJKH-MRXNPFEDSA-N -1 1 369.805 0.906 20 50 FCGDMM Cc1nnc2n1C[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)CC2 ZINC000826337306 607567404 /nfs/dbraw/zinc/56/74/04/607567404.db2.gz JUIYCJFXRRUANI-VIFPVBQESA-N -1 1 372.393 0.584 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828452217 604921004 /nfs/dbraw/zinc/92/10/04/604921004.db2.gz YXNZONCORGQCCU-QWRGUYRKSA-N -1 1 367.377 0.784 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCc3n[nH]cc3C2)o1 ZINC000824353106 607936225 /nfs/dbraw/zinc/93/62/25/607936225.db2.gz XZXQNTSRCXVMRX-MRVPVSSYSA-N -1 1 357.378 0.949 20 50 FCGDMM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948220 608094989 /nfs/dbraw/zinc/09/49/89/608094989.db2.gz HWAOQTKUZZAOEF-UHFFFAOYSA-N -1 1 356.371 0.802 20 50 FCGDMM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737954984 945167102 /nfs/dbraw/zinc/16/71/02/945167102.db2.gz VGTLHYVXLWWARW-UHFFFAOYSA-N -1 1 362.353 0.747 20 50 FCGDMM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737954984 945167106 /nfs/dbraw/zinc/16/71/06/945167106.db2.gz VGTLHYVXLWWARW-UHFFFAOYSA-N -1 1 362.353 0.747 20 50 FCGDMM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1cc(-c2ccoc2)[nH]n1 ZINC000738136193 945232272 /nfs/dbraw/zinc/23/22/72/945232272.db2.gz HMLDXMNGNOSLFR-UHFFFAOYSA-N -1 1 364.325 0.925 20 50 FCGDMM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738136825 945238091 /nfs/dbraw/zinc/23/80/91/945238091.db2.gz NDSIFKGZSMZKTF-UHFFFAOYSA-N -1 1 371.288 0.989 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)COc2ccccc2-c2nn[nH]n2)n1 ZINC000821713451 945846585 /nfs/dbraw/zinc/84/65/85/945846585.db2.gz YKRXMELZZPMHNN-UHFFFAOYSA-N -1 1 356.346 0.496 20 50 FCGDMM Cc1cc(C(=O)[N-]NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000822176006 945970229 /nfs/dbraw/zinc/97/02/29/945970229.db2.gz DKEHSWYOVKOLRB-UHFFFAOYSA-N -1 1 372.414 0.593 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)Cc2ccccc2C)c1-c1nnn[n-]1 ZINC000826307053 947882889 /nfs/dbraw/zinc/88/28/89/947882889.db2.gz UVFXDBZFGZTJMJ-UHFFFAOYSA-N -1 1 355.358 0.404 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)Cc2ccccc2C)c1-c1nn[n-]n1 ZINC000826307053 947882899 /nfs/dbraw/zinc/88/28/99/947882899.db2.gz UVFXDBZFGZTJMJ-UHFFFAOYSA-N -1 1 355.358 0.404 20 50 FCGDMM Cc1onc(CC(=O)NNc2c(F)c(F)nc(F)c2F)c1-c1nnn[n-]1 ZINC000826348379 948073984 /nfs/dbraw/zinc/07/39/84/948073984.db2.gz JPMAIUIDZSSNKO-UHFFFAOYSA-N -1 1 372.242 0.800 20 50 FCGDMM Cc1onc(CC(=O)NNc2c(F)c(F)nc(F)c2F)c1-c1nn[n-]n1 ZINC000826348379 948073992 /nfs/dbraw/zinc/07/39/92/948073992.db2.gz JPMAIUIDZSSNKO-UHFFFAOYSA-N -1 1 372.242 0.800 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC001594438183 959255185 /nfs/dbraw/zinc/25/51/85/959255185.db2.gz WTIAKLCBEXVZCC-WDEREUQCSA-N -1 1 354.432 0.327 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC001594438181 959255830 /nfs/dbraw/zinc/25/58/30/959255830.db2.gz WTIAKLCBEXVZCC-QWRGUYRKSA-N -1 1 354.432 0.327 20 50 FCGDMM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001605140545 972809595 /nfs/dbraw/zinc/80/95/95/972809595.db2.gz BZAHVNIJEQDTRQ-CHWSQXEVSA-N -1 1 363.414 0.954 20 50 FCGDMM O=C([O-])Cn1cccc(C(=O)NNC(=O)c2cc3ccccc3o2)c1=O ZINC001606355619 973813521 /nfs/dbraw/zinc/81/35/21/973813521.db2.gz WYGZXDMCVGTZBR-UHFFFAOYSA-N -1 1 355.306 0.754 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1cc(C(F)(F)F)ccc1F ZINC000826425850 607824559 /nfs/dbraw/zinc/82/45/59/607824559.db2.gz WOEFKSJQQHYYEM-UHFFFAOYSA-N -1 1 371.258 0.759 20 50 FCGDMM Cn1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000737603386 945100032 /nfs/dbraw/zinc/10/00/32/945100032.db2.gz PSIRABUGVVZNJL-UHFFFAOYSA-N -1 1 362.353 0.828 20 50 FCGDMM Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000737603386 945100041 /nfs/dbraw/zinc/10/00/41/945100041.db2.gz PSIRABUGVVZNJL-UHFFFAOYSA-N -1 1 362.353 0.828 20 50 FCGDMM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736188248 944758644 /nfs/dbraw/zinc/75/86/44/944758644.db2.gz JUAXTEMKHMZDSS-VIFPVBQESA-N -1 1 371.332 0.629 20 50 FCGDMM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736188248 944758649 /nfs/dbraw/zinc/75/86/49/944758649.db2.gz JUAXTEMKHMZDSS-VIFPVBQESA-N -1 1 371.332 0.629 20 50 FCGDMM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1ccncc1Cl ZINC000823036732 946285355 /nfs/dbraw/zinc/28/53/55/946285355.db2.gz JRKLWWXTDWRQRN-UHFFFAOYSA-N -1 1 373.760 0.755 20 50 FCGDMM O=C([O-])C[C@H]1CCCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000844835690 955678221 /nfs/dbraw/zinc/67/82/21/955678221.db2.gz PEAFZZJLYHBLHU-GFCCVEGCSA-N -1 1 364.358 0.685 20 50 FCGDMM O=C([O-])[C@@H]1CC[C@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC001594684891 956706053 /nfs/dbraw/zinc/70/60/53/956706053.db2.gz JIJOSTPFMQEKKR-HZPDHXFCSA-N -1 1 374.441 0.457 20 50 FCGDMM Cc1cc(CC(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)[nH]n1 ZINC001594300850 957906804 /nfs/dbraw/zinc/90/68/04/957906804.db2.gz UOLWSEQUIYBDKE-AWEZNQCLSA-N -1 1 370.369 0.128 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001594437187 959247476 /nfs/dbraw/zinc/24/74/76/959247476.db2.gz KYQQQIMGSBJMEU-MWLCHTKSSA-N -1 1 354.432 0.184 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001605380763 973337788 /nfs/dbraw/zinc/33/77/88/973337788.db2.gz OMVDVDJTBKQCRQ-MWLCHTKSSA-N -1 1 354.432 0.184 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC001594509709 985782995 /nfs/dbraw/zinc/78/29/95/985782995.db2.gz XZTHFIHMQAGIMD-RFQIPJPRSA-N -1 1 355.435 0.524 20 50 FCGDMM CN(NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(=O)N1CCNCC1 ZINC001598541500 992906471 /nfs/dbraw/zinc/90/64/71/992906471.db2.gz PAWOBAONVCZHPU-UHFFFAOYSA-N -1 1 357.317 0.657 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000832174866 601528709 /nfs/dbraw/zinc/52/87/09/601528709.db2.gz XQPHWEIGPRDIHM-JQWIXIFHSA-N -1 1 365.386 0.117 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1cccc(Br)c1 ZINC000826425613 607712301 /nfs/dbraw/zinc/71/23/01/607712301.db2.gz LKEFHFQHNRDEHL-UHFFFAOYSA-N -1 1 364.167 0.364 20 50 FCGDMM CCN(CC)Cc1ccc(C(=O)NN=C(C)c2cn(CC(=O)[O-])nn2)o1 ZINC000829680170 604785290 /nfs/dbraw/zinc/78/52/90/604785290.db2.gz RMOYZSFVHCIZPW-UHFFFAOYSA-N -1 1 362.390 0.952 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)C2CCC(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000833625103 605213719 /nfs/dbraw/zinc/21/37/19/605213719.db2.gz WFRATJKCKAAQGO-IWMBGFJWSA-N -1 1 355.435 0.524 20 50 FCGDMM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000824109866 609307168 /nfs/dbraw/zinc/30/71/68/609307168.db2.gz XRAZJMYXKHXSKE-UHFFFAOYSA-N -1 1 351.392 0.903 20 50 FCGDMM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000738136473 945235611 /nfs/dbraw/zinc/23/56/11/945235611.db2.gz MGEYGTDBLBCECG-UHFFFAOYSA-N -1 1 354.286 0.245 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)o1 ZINC000820201827 945373863 /nfs/dbraw/zinc/37/38/63/945373863.db2.gz APBSVGQNRDEWIZ-MRVPVSSYSA-N -1 1 357.378 0.949 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)CS(C)(=O)=O)o1 ZINC000820295043 945409745 /nfs/dbraw/zinc/40/97/45/945409745.db2.gz XEOZFTPZEQLJPO-SSDOTTSWSA-N -1 1 357.396 0.102 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(-n2cnnn2)cc1 ZINC000823273667 946385363 /nfs/dbraw/zinc/38/53/63/946385363.db2.gz TXTKTRPKSDUYFQ-UHFFFAOYSA-N -1 1 366.370 0.668 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccc(-n2cnnn2)cc1 ZINC000823273681 946385763 /nfs/dbraw/zinc/38/57/63/946385763.db2.gz UCYMCYJJBYGQRR-UHFFFAOYSA-N -1 1 350.302 0.199 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccc(-n2cnnn2)cc1 ZINC000823273681 946385772 /nfs/dbraw/zinc/38/57/72/946385772.db2.gz UCYMCYJJBYGQRR-UHFFFAOYSA-N -1 1 350.302 0.199 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000826348262 948071161 /nfs/dbraw/zinc/07/11/61/948071161.db2.gz DVHSCGBRXSUJDH-UHFFFAOYSA-N -1 1 362.737 0.215 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000826348262 948071173 /nfs/dbraw/zinc/07/11/73/948071173.db2.gz DVHSCGBRXSUJDH-UHFFFAOYSA-N -1 1 362.737 0.215 20 50 FCGDMM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001589277724 953470238 /nfs/dbraw/zinc/47/02/38/953470238.db2.gz CFYASRLZEVEDLL-JQWIXIFHSA-N -1 1 364.358 0.398 20 50 FCGDMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC001594228219 959451065 /nfs/dbraw/zinc/45/10/65/959451065.db2.gz QACZDSFPDKJUER-KUHUBIRLSA-N -1 1 374.441 0.457 20 50 FCGDMM O=C([O-])CN1CCC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1=O ZINC001574719092 962747838 /nfs/dbraw/zinc/74/78/38/962747838.db2.gz HOSXYFQFKMUDCI-LLVKDONJSA-N -1 1 359.338 0.517 20 50 FCGDMM COc1cccc([C@H](CNC(=O)NNC(=O)C(=O)[O-])N2CCCC2)c1 ZINC001599657306 994602095 /nfs/dbraw/zinc/60/20/95/994602095.db2.gz MNPRGQZUWRLHSL-ZDUSSCGKSA-N -1 1 350.375 0.247 20 50 FCGDMM C[C@@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001593776234 996475905 /nfs/dbraw/zinc/47/59/05/996475905.db2.gz HNCKFKNVCSQZBK-MRXNPFEDSA-N -1 1 364.358 0.543 20 50 FCGDMM COc1ccc([C@H](CNC(=O)NNC(=O)C(=O)[O-])N2CCCCC2)cc1 ZINC001599516535 997398413 /nfs/dbraw/zinc/39/84/13/997398413.db2.gz NJRWCOPVJWYJQT-AWEZNQCLSA-N -1 1 364.402 0.637 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000828449011 601208711 /nfs/dbraw/zinc/20/87/11/601208711.db2.gz IABOJQSBAQVKMH-RQJABVFESA-N -1 1 355.435 0.524 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCn3cncc3C2)o1 ZINC000824352864 607570461 /nfs/dbraw/zinc/57/04/61/607570461.db2.gz QAQPDJIWSSKTMT-SECBINFHSA-N -1 1 357.378 0.880 20 50 FCGDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NNc2ccccc2)n1 ZINC000824148196 608140698 /nfs/dbraw/zinc/14/06/98/608140698.db2.gz OYXSEZGVCUCVED-UHFFFAOYSA-N -1 1 369.389 0.900 20 50 FCGDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NNc2ccccc2)n1 ZINC000824148196 608140699 /nfs/dbraw/zinc/14/06/99/608140699.db2.gz OYXSEZGVCUCVED-UHFFFAOYSA-N -1 1 369.389 0.900 20 50 FCGDMM O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737989174 945172851 /nfs/dbraw/zinc/17/28/51/945172851.db2.gz SWIPSYIWRATHIA-UHFFFAOYSA-N -1 1 363.341 0.073 20 50 FCGDMM O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737989174 945172856 /nfs/dbraw/zinc/17/28/56/945172856.db2.gz SWIPSYIWRATHIA-UHFFFAOYSA-N -1 1 363.341 0.073 20 50 FCGDMM COc1cccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1O ZINC000737120842 944964409 /nfs/dbraw/zinc/96/44/09/944964409.db2.gz HJACVUVFWQZHNC-UHFFFAOYSA-N -1 1 355.314 0.051 20 50 FCGDMM COc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737153701 944972137 /nfs/dbraw/zinc/97/21/37/944972137.db2.gz UOUTYXLKJRHCHL-UHFFFAOYSA-N -1 1 353.342 0.274 20 50 FCGDMM COc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737153701 944972142 /nfs/dbraw/zinc/97/21/42/944972142.db2.gz UOUTYXLKJRHCHL-UHFFFAOYSA-N -1 1 353.342 0.274 20 50 FCGDMM CSc1[nH]c(=O)c(C(=O)NNC(=O)c2cccn2C)cc1-c1nn[n-]n1 ZINC000737187035 944977857 /nfs/dbraw/zinc/97/78/57/944977857.db2.gz NWGVOVDGNTVZHP-UHFFFAOYSA-N -1 1 374.386 0.103 20 50 FCGDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)NNC(=O)C(C)(C)C)n1 ZINC000822427632 946089659 /nfs/dbraw/zinc/08/96/59/946089659.db2.gz SAUHPDSRIHJDSW-UHFFFAOYSA-N -1 1 364.435 0.559 20 50 FCGDMM O=C([O-])C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001594986833 951017773 /nfs/dbraw/zinc/01/77/73/951017773.db2.gz DPRRNSLKMBRIIE-CYBMUJFWSA-N -1 1 364.358 0.685 20 50 FCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001591111884 991773436 /nfs/dbraw/zinc/77/34/36/991773436.db2.gz WYOGKYJGNNQESF-FZKQIMNGSA-N -1 1 369.462 0.650 20 50 FCGDMM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CN(C)CCN1C ZINC001593102275 993742361 /nfs/dbraw/zinc/74/23/61/993742361.db2.gz QVXRAKUOENLKIL-YGRLFVJLSA-N -1 1 353.398 0.784 20 50 FCGDMM COc1cc(C(=O)[O-])ccc1NNC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC001599376688 998498437 /nfs/dbraw/zinc/49/84/37/998498437.db2.gz BBKMDYBKWSRWIQ-UHFFFAOYSA-N -1 1 371.357 0.639 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826425860 607397102 /nfs/dbraw/zinc/39/71/02/607397102.db2.gz WWZOFMHLQBDHPI-UHFFFAOYSA-N -1 1 364.713 0.163 20 50 FCGDMM CCC(=O)N1CC[C@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000825034420 607509264 /nfs/dbraw/zinc/50/92/64/607509264.db2.gz KCEUVEVIHGMKLO-VIFPVBQESA-N -1 1 362.394 0.680 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)Cc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833623756 604881300 /nfs/dbraw/zinc/88/13/00/604881300.db2.gz SLKBNFSKPIBIEE-STQMWFEESA-N -1 1 363.414 0.574 20 50 FCGDMM O=C([N-]NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cc(-c2ccccc2)[nH]n1 ZINC000823277756 606248830 /nfs/dbraw/zinc/24/88/30/606248830.db2.gz WACPECDLKOCYOZ-UHFFFAOYSA-N -1 1 363.341 0.660 20 50 FCGDMM CCNC(=O)N(C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825471203 608873870 /nfs/dbraw/zinc/87/38/70/608873870.db2.gz PMPUSJWDXWPTGS-UHFFFAOYSA-N -1 1 362.394 0.209 20 50 FCGDMM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1c(O)cc(F)cc1F ZINC000738136185 945231420 /nfs/dbraw/zinc/23/14/20/945231420.db2.gz GXMHGUZMAYCALW-UHFFFAOYSA-N -1 1 360.280 0.925 20 50 FCGDMM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736188246 944757907 /nfs/dbraw/zinc/75/79/07/944757907.db2.gz JUAXTEMKHMZDSS-SECBINFHSA-N -1 1 371.332 0.629 20 50 FCGDMM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736188246 944757914 /nfs/dbraw/zinc/75/79/14/944757914.db2.gz JUAXTEMKHMZDSS-SECBINFHSA-N -1 1 371.332 0.629 20 50 FCGDMM CCc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736702890 944873501 /nfs/dbraw/zinc/87/35/01/944873501.db2.gz YCYJHFAIKPDJDV-UHFFFAOYSA-N -1 1 367.369 0.664 20 50 FCGDMM CCc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736702890 944873508 /nfs/dbraw/zinc/87/35/08/944873508.db2.gz YCYJHFAIKPDJDV-UHFFFAOYSA-N -1 1 367.369 0.664 20 50 FCGDMM CN(C)c1cccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736778195 944887950 /nfs/dbraw/zinc/88/79/50/944887950.db2.gz CSZBUHKJTWOMGM-UHFFFAOYSA-N -1 1 352.358 0.403 20 50 FCGDMM CN(C)c1cccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736778195 944887961 /nfs/dbraw/zinc/88/79/61/944887961.db2.gz CSZBUHKJTWOMGM-UHFFFAOYSA-N -1 1 352.358 0.403 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000823132080 946325844 /nfs/dbraw/zinc/32/58/44/946325844.db2.gz YTRYRFYSYLTEPT-UHFFFAOYSA-N -1 1 364.713 0.163 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1n[nH]c(=O)c2ccccc21 ZINC000823273463 946381875 /nfs/dbraw/zinc/38/18/75/946381875.db2.gz OGUDBUFRIRZTTB-UHFFFAOYSA-N -1 1 350.298 0.872 20 50 FCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1n[nH]c(=O)c2ccccc21 ZINC000823273463 946381882 /nfs/dbraw/zinc/38/18/82/946381882.db2.gz OGUDBUFRIRZTTB-UHFFFAOYSA-N -1 1 350.298 0.872 20 50 FCGDMM O=C([O-])COCCOCCNC(=O)NNC(=O)c1cc2ccccc2o1 ZINC001595113620 951927955 /nfs/dbraw/zinc/92/79/55/951927955.db2.gz CZSQMHMLJILFSM-UHFFFAOYSA-N -1 1 365.342 0.495 20 50 FCGDMM CO[C@](C)(C(=O)[O-])C(=O)NNC(=O)c1ccc(Br)s1 ZINC001593927282 956143217 /nfs/dbraw/zinc/14/32/17/956143217.db2.gz WFDJZBISJQNOBW-JTQLQIEISA-N -1 1 351.178 0.761 20 50 FCGDMM Cc1cc(CC(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001594300851 957906606 /nfs/dbraw/zinc/90/66/06/957906606.db2.gz UOLWSEQUIYBDKE-CQSZACIVSA-N -1 1 370.369 0.128 20 50 FCGDMM CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nc1 ZINC001588927579 962432721 /nfs/dbraw/zinc/43/27/21/962432721.db2.gz XGDUCMYIHLYZQE-AOOOYVTPSA-N -1 1 371.419 0.258 20 50 FCGDMM CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nc1 ZINC001588927580 962433079 /nfs/dbraw/zinc/43/30/79/962433079.db2.gz XGDUCMYIHLYZQE-MGCOHNPYSA-N -1 1 371.419 0.258 20 50 FCGDMM O=C([O-])CN1CCC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1=O ZINC001574719093 962748924 /nfs/dbraw/zinc/74/89/24/962748924.db2.gz HOSXYFQFKMUDCI-NSHDSACASA-N -1 1 359.338 0.517 20 50 FCGDMM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000736418009 978333426 /nfs/dbraw/zinc/33/34/26/978333426.db2.gz ZTGWWOYGDXBTTC-AVGNSLFASA-N -1 1 358.439 0.315 20 50 FCGDMM C[C@H](CN1CCN(C)CC1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592614801 978573253 /nfs/dbraw/zinc/57/32/53/978573253.db2.gz BHXYFHJQKPCGJN-LLVKDONJSA-N -1 1 353.398 0.786 20 50 FCGDMM CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCCC(=O)[O-])nc1 ZINC000840992454 979289872 /nfs/dbraw/zinc/28/98/72/979289872.db2.gz YURWLJXBWDFBDO-UHFFFAOYSA-N -1 1 373.435 0.603 20 50 FCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)C(=O)[O-] ZINC001599927822 985238522 /nfs/dbraw/zinc/23/85/22/985238522.db2.gz JJNOEWAILOYTFJ-QFYYESIMSA-N -1 1 364.358 0.398 20 50 FCGDMM CN1CC[C@H](CNC(=O)NNC(=O)C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001598584510 993362652 /nfs/dbraw/zinc/36/26/52/993362652.db2.gz WDIRAXPYHOKSIZ-BXKDBHETSA-N -1 1 372.784 0.887 20 50 FCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000828442276 601532518 /nfs/dbraw/zinc/53/25/18/601532518.db2.gz ZRLLTQHXNTZWOY-SKDRFNHKSA-N -1 1 350.331 0.008 20 50 FCGDMM CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948788 608094402 /nfs/dbraw/zinc/09/44/02/608094402.db2.gz YBLLDLPFUXQOHH-MRVPVSSYSA-N -1 1 354.417 0.203 20 50 FCGDMM O=C(CSc1ccccc1O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826421199 608120880 /nfs/dbraw/zinc/12/08/80/608120880.db2.gz WERCZJCSYAXFMX-UHFFFAOYSA-N -1 1 371.382 0.521 20 50 FCGDMM O=C(CSc1ccccc1O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826421199 608120881 /nfs/dbraw/zinc/12/08/81/608120881.db2.gz WERCZJCSYAXFMX-UHFFFAOYSA-N -1 1 371.382 0.521 20 50 FCGDMM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1ccncc1F ZINC000737919471 945153891 /nfs/dbraw/zinc/15/38/91/945153891.db2.gz UBGSUUUUNOUEJW-UHFFFAOYSA-N -1 1 357.305 0.241 20 50 FCGDMM CCc1[nH]nc(C(=O)[N-]NC(=O)c2ccc(-c3nn[nH]n3)cc2)c1[N+](=O)[O-] ZINC000736665519 944864402 /nfs/dbraw/zinc/86/44/02/944864402.db2.gz FIQMCZNKXWSEQT-UHFFFAOYSA-N -1 1 371.317 0.135 20 50 FCGDMM COc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737106586 944962116 /nfs/dbraw/zinc/96/21/16/944962116.db2.gz VHYDWPBTCARBPJ-UHFFFAOYSA-N -1 1 368.357 0.143 20 50 FCGDMM COc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737106586 944962123 /nfs/dbraw/zinc/96/21/23/944962123.db2.gz VHYDWPBTCARBPJ-UHFFFAOYSA-N -1 1 368.357 0.143 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821712910 945846916 /nfs/dbraw/zinc/84/69/16/945846916.db2.gz NCSNSPLBJUITNU-JTQLQIEISA-N -1 1 370.373 0.884 20 50 FCGDMM Cc1cc(C(=O)[N-]NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)n[nH]1 ZINC000822176345 945968632 /nfs/dbraw/zinc/96/86/32/945968632.db2.gz KBFYOCCZLVVIQE-UHFFFAOYSA-N -1 1 372.393 0.921 20 50 FCGDMM O=C([O-])C[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000844835692 955677517 /nfs/dbraw/zinc/67/75/17/955677517.db2.gz PEAFZZJLYHBLHU-LBPRGKRZSA-N -1 1 364.358 0.685 20 50 FCGDMM CC[C@H](CNC(=O)NN=c1ccc(S(=O)(=O)NC(C)C)c[nH]1)C(=O)[O-] ZINC001603565736 973686834 /nfs/dbraw/zinc/68/68/34/973686834.db2.gz IQYSUDJOSBHBDM-SNVBAGLBSA-N -1 1 373.435 0.505 20 50 FCGDMM CC(C)(CS(=O)(=O)NNC(=O)c1ccc(Cl)cc1O)C(=O)[O-] ZINC001590819196 990650434 /nfs/dbraw/zinc/65/04/34/990650434.db2.gz NGADIANFECQURU-UHFFFAOYSA-N -1 1 350.780 0.721 20 50 FCGDMM CC1(C)CN(C2(CNC(=O)NNC(=O)C(=O)[O-])CCCCC2)CCO1 ZINC001593940074 996942678 /nfs/dbraw/zinc/94/26/78/996942678.db2.gz DKHMOFFILXVJNV-UHFFFAOYSA-N -1 1 356.423 0.215 20 50 FCGDMM C[N-]S(=O)(=O)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826091119 607349283 /nfs/dbraw/zinc/34/92/83/607349283.db2.gz VNQGISAIOAMRPS-UHFFFAOYSA-N -1 1 363.359 0.125 20 50 FCGDMM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823285669 606830663 /nfs/dbraw/zinc/83/06/63/606830663.db2.gz YSLJKSXMIAHNJZ-UHFFFAOYSA-N -1 1 373.402 0.312 20 50 FCGDMM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823285669 606830664 /nfs/dbraw/zinc/83/06/64/606830664.db2.gz YSLJKSXMIAHNJZ-UHFFFAOYSA-N -1 1 373.402 0.312 20 50 FCGDMM O=C(COCc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737915548 945150924 /nfs/dbraw/zinc/15/09/24/945150924.db2.gz DOBQNFGYHHTJIG-UHFFFAOYSA-N -1 1 353.342 0.240 20 50 FCGDMM O=C(COCc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737915548 945150928 /nfs/dbraw/zinc/15/09/28/945150928.db2.gz DOBQNFGYHHTJIG-UHFFFAOYSA-N -1 1 353.342 0.240 20 50 FCGDMM O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738134296 945219208 /nfs/dbraw/zinc/21/92/08/945219208.db2.gz KAXRUYVBAPBWSI-UHFFFAOYSA-N -1 1 354.286 0.245 20 50 FCGDMM CC(=O)N1CC[C@](C)(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000819789572 945292143 /nfs/dbraw/zinc/29/21/43/945292143.db2.gz USNOTFVOAVBTSC-HNNXBMFYSA-N -1 1 362.394 0.680 20 50 FCGDMM CC(C)CC(=O)NCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735758957 944698487 /nfs/dbraw/zinc/69/84/87/944698487.db2.gz MXTTUEMPHUBQIR-UHFFFAOYSA-N -1 1 364.410 0.974 20 50 FCGDMM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822600107 946136314 /nfs/dbraw/zinc/13/63/14/946136314.db2.gz KDTYKFJRCYQXDN-UHFFFAOYSA-N -1 1 368.382 0.932 20 50 FCGDMM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822600107 946136322 /nfs/dbraw/zinc/13/63/22/946136322.db2.gz KDTYKFJRCYQXDN-UHFFFAOYSA-N -1 1 368.382 0.932 20 50 FCGDMM O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823055850 946298147 /nfs/dbraw/zinc/29/81/47/946298147.db2.gz YBYLQSCSCBYKDU-UHFFFAOYSA-N -1 1 357.286 0.897 20 50 FCGDMM O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823055850 946298161 /nfs/dbraw/zinc/29/81/61/946298161.db2.gz YBYLQSCSCBYKDU-UHFFFAOYSA-N -1 1 357.286 0.897 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826348520 948074889 /nfs/dbraw/zinc/07/48/89/948074889.db2.gz QIIRSPOXYWOTKP-UHFFFAOYSA-N -1 1 352.314 0.039 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826348520 948074902 /nfs/dbraw/zinc/07/49/02/948074902.db2.gz QIIRSPOXYWOTKP-UHFFFAOYSA-N -1 1 352.314 0.039 20 50 FCGDMM C[C@H](C(=O)NNc1cc(Cl)nc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730034 948576064 /nfs/dbraw/zinc/57/60/64/948576064.db2.gz KPPYICPVXJXCII-RXMQYKEDSA-N -1 1 369.176 0.864 20 50 FCGDMM CC(C)(C)S(=O)(=O)CCNC(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC001573875980 950657153 /nfs/dbraw/zinc/65/71/53/950657153.db2.gz AWWYBGYUUCRPKK-UHFFFAOYSA-N -1 1 368.423 0.101 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)C[C@H](C)O1 ZINC001589395192 954361854 /nfs/dbraw/zinc/36/18/54/954361854.db2.gz GNQDTCQJQWWVEP-AHIWAGSCSA-N -1 1 353.419 0.444 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN(C)C[C@@H](C)C(=O)[O-])cc1OC ZINC000737929460 955230136 /nfs/dbraw/zinc/23/01/36/955230136.db2.gz FBUUEJJCOHYIAR-SNVBAGLBSA-N -1 1 353.375 0.117 20 50 FCGDMM O=C([O-])CN1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1=O ZINC001606253250 973572319 /nfs/dbraw/zinc/57/23/19/973572319.db2.gz MXAGDDDOFQUUNF-JTQLQIEISA-N -1 1 369.761 0.130 20 50 FCGDMM C[C@@H](CN1CCN(C)CC1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592615324 978575138 /nfs/dbraw/zinc/57/51/38/978575138.db2.gz JDUVTNLECZCTFH-NSHDSACASA-N -1 1 353.398 0.786 20 50 FCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001591111885 991773893 /nfs/dbraw/zinc/77/38/93/991773893.db2.gz WYOGKYJGNNQESF-SCLBCKFNSA-N -1 1 369.462 0.650 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832362722 601502885 /nfs/dbraw/zinc/50/28/85/601502885.db2.gz PWAMDCLORNVKKX-JOYOIKCWSA-N -1 1 369.805 0.762 20 50 FCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000828439224 601538595 /nfs/dbraw/zinc/53/85/95/601538595.db2.gz HTXLSFJGMOCFTL-SKDRFNHKSA-N -1 1 350.331 0.008 20 50 FCGDMM O=C(NCCc1cccs1)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089232 945185515 /nfs/dbraw/zinc/18/55/15/945185515.db2.gz VZLJJGGNZUFYIB-UHFFFAOYSA-N -1 1 358.387 0.510 20 50 FCGDMM O=C(NNC(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738134719 945223424 /nfs/dbraw/zinc/22/34/24/945223424.db2.gz RQRDJONGILUAKQ-UHFFFAOYSA-N -1 1 360.337 0.885 20 50 FCGDMM O=C(NNC(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738134719 945223430 /nfs/dbraw/zinc/22/34/30/945223430.db2.gz RQRDJONGILUAKQ-UHFFFAOYSA-N -1 1 360.337 0.885 20 50 FCGDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NNc1cnccn1 ZINC000737200230 944983623 /nfs/dbraw/zinc/98/36/23/944983623.db2.gz KGEYXQJTXJPCOB-UHFFFAOYSA-N -1 1 355.362 0.450 20 50 FCGDMM CC[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)N1CCCC1=O ZINC000820843208 945567835 /nfs/dbraw/zinc/56/78/35/945567835.db2.gz VFQYLXHWMZIUMO-VIFPVBQESA-N -1 1 362.394 0.822 20 50 FCGDMM Cc1onc(CC(=O)NN=c2sc3ccccc3n2C)c1-c1nnn[n-]1 ZINC000826347927 948062977 /nfs/dbraw/zinc/06/29/77/948062977.db2.gz MCKQJZGGSDDVLH-UHFFFAOYSA-N -1 1 370.398 0.891 20 50 FCGDMM Cc1onc(CC(=O)NN=c2sc3ccccc3n2C)c1-c1nn[n-]n1 ZINC000826347927 948062988 /nfs/dbraw/zinc/06/29/88/948062988.db2.gz MCKQJZGGSDDVLH-UHFFFAOYSA-N -1 1 370.398 0.891 20 50 FCGDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NNC(=O)c1ccc(Cl)cc1 ZINC000826383157 948182452 /nfs/dbraw/zinc/18/24/52/948182452.db2.gz NFUDOECKJRUUEV-UHFFFAOYSA-N -1 1 371.748 0.049 20 50 FCGDMM O=C([O-])[C@@]1(C(=O)NNC(=O)c2ccc(Br)s2)CCCO1 ZINC001594782630 953645527 /nfs/dbraw/zinc/64/55/27/953645527.db2.gz CNMSIRRHMRMJIL-NSHDSACASA-N -1 1 363.189 0.905 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])nc2)C[C@H](C)O1 ZINC001589395257 954363298 /nfs/dbraw/zinc/36/32/98/954363298.db2.gz IAYSHUDSMMVZPX-PHIMTYICSA-N -1 1 350.375 0.040 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)Cc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC001603460835 973293065 /nfs/dbraw/zinc/29/30/65/973293065.db2.gz KFXRAUDNWAIXKF-BETUJISGSA-N -1 1 363.414 0.574 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)Cc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC001603460836 973293748 /nfs/dbraw/zinc/29/37/48/973293748.db2.gz KFXRAUDNWAIXKF-CHWSQXEVSA-N -1 1 363.414 0.574 20 50 FCGDMM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000736418012 978333447 /nfs/dbraw/zinc/33/34/47/978333447.db2.gz ZTGWWOYGDXBTTC-XQQFMLRXSA-N -1 1 358.439 0.315 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CNC2(C(=O)[O-])CCCCC2)n1 ZINC000738816549 978602830 /nfs/dbraw/zinc/60/28/30/978602830.db2.gz RWMDZDOLBFKDLB-UHFFFAOYSA-N -1 1 354.432 0.519 20 50 FCGDMM COc1ccc([C@@H](CNC(=O)NNC(=O)C(=O)[O-])N2CCCCC2)cc1 ZINC001599516539 997398014 /nfs/dbraw/zinc/39/80/14/997398014.db2.gz NJRWCOPVJWYJQT-CQSZACIVSA-N -1 1 364.402 0.637 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599579342 998501333 /nfs/dbraw/zinc/50/13/33/998501333.db2.gz NGMHXRFDQPOMIR-ONGXEEELSA-N -1 1 369.805 0.905 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001599579331 998501782 /nfs/dbraw/zinc/50/17/82/998501782.db2.gz NGMHXRFDQPOMIR-GXSJLCMTSA-N -1 1 369.805 0.905 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccccc1Br ZINC000826425765 607339455 /nfs/dbraw/zinc/33/94/55/607339455.db2.gz SGQTYSCDZFKUAP-UHFFFAOYSA-N -1 1 364.167 0.364 20 50 FCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000828439220 601538314 /nfs/dbraw/zinc/53/83/14/601538314.db2.gz HTXLSFJGMOCFTL-JOYOIKCWSA-N -1 1 350.331 0.008 20 50 FCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000828439213 601538365 /nfs/dbraw/zinc/53/83/65/601538365.db2.gz HTXLSFJGMOCFTL-BXKDBHETSA-N -1 1 350.331 0.008 20 50 FCGDMM C[N-]S(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)o1 ZINC000826090786 607725725 /nfs/dbraw/zinc/72/57/25/607725725.db2.gz OZKGXTJKPHXUFZ-UHFFFAOYSA-N -1 1 363.359 0.125 20 50 FCGDMM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948738 608094940 /nfs/dbraw/zinc/09/49/40/608094940.db2.gz VTASLLQNUSPCSC-UHFFFAOYSA-N -1 1 360.359 0.212 20 50 FCGDMM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948237 608095082 /nfs/dbraw/zinc/09/50/82/608095082.db2.gz IMKBAPIRTWOMGN-UHFFFAOYSA-N -1 1 370.398 0.593 20 50 FCGDMM O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000826441605 608220933 /nfs/dbraw/zinc/22/09/33/608220933.db2.gz LYWOMVFAYCTNHH-UHFFFAOYSA-N -1 1 373.760 0.880 20 50 FCGDMM O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000826441605 608220934 /nfs/dbraw/zinc/22/09/34/608220934.db2.gz LYWOMVFAYCTNHH-UHFFFAOYSA-N -1 1 373.760 0.880 20 50 FCGDMM CCNC(=O)N(C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825470302 609165975 /nfs/dbraw/zinc/16/59/75/609165975.db2.gz AYTDFISDWWKMFZ-UHFFFAOYSA-N -1 1 358.362 0.865 20 50 FCGDMM CCNC(=O)N(C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825470302 609165977 /nfs/dbraw/zinc/16/59/77/609165977.db2.gz AYTDFISDWWKMFZ-UHFFFAOYSA-N -1 1 358.362 0.865 20 50 FCGDMM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737362438 945049599 /nfs/dbraw/zinc/04/95/99/945049599.db2.gz OTRVBNZCJAUKGV-UHFFFAOYSA-N -1 1 352.358 0.443 20 50 FCGDMM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737362438 945049610 /nfs/dbraw/zinc/04/96/10/945049610.db2.gz OTRVBNZCJAUKGV-UHFFFAOYSA-N -1 1 352.358 0.443 20 50 FCGDMM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823136333 946328510 /nfs/dbraw/zinc/32/85/10/946328510.db2.gz WFMZVDLITSRPJP-UHFFFAOYSA-N -1 1 364.329 0.264 20 50 FCGDMM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823136333 946328523 /nfs/dbraw/zinc/32/85/23/946328523.db2.gz WFMZVDLITSRPJP-UHFFFAOYSA-N -1 1 364.329 0.264 20 50 FCGDMM CS(=O)(=O)c1cccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826224207 947662996 /nfs/dbraw/zinc/66/29/96/947662996.db2.gz UNSYPGLYBWLAOB-UHFFFAOYSA-N -1 1 359.371 0.422 20 50 FCGDMM CS(=O)(=O)c1cccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826224207 947663006 /nfs/dbraw/zinc/66/30/06/947663006.db2.gz UNSYPGLYBWLAOB-UHFFFAOYSA-N -1 1 359.371 0.422 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826348287 948070633 /nfs/dbraw/zinc/07/06/33/948070633.db2.gz FPTANRONKQGPLW-UHFFFAOYSA-N -1 1 372.301 0.075 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826348287 948070641 /nfs/dbraw/zinc/07/06/41/948070641.db2.gz FPTANRONKQGPLW-UHFFFAOYSA-N -1 1 372.301 0.075 20 50 FCGDMM CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001573802885 949431018 /nfs/dbraw/zinc/43/10/18/949431018.db2.gz KRRNYCDZLCLZST-UHFFFAOYSA-N -1 1 363.378 0.163 20 50 FCGDMM CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001573802885 949431035 /nfs/dbraw/zinc/43/10/35/949431035.db2.gz KRRNYCDZLCLZST-UHFFFAOYSA-N -1 1 363.378 0.163 20 50 FCGDMM CCO/C=C(/C#N)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001603835184 974335277 /nfs/dbraw/zinc/33/52/77/974335277.db2.gz RFWDNADWPMFLOQ-OWSSEVEYSA-N -1 1 363.292 0.553 20 50 FCGDMM O=C([O-])[C@]1(C(=O)NNC(=O)c2ccc(Br)s2)CCCO1 ZINC001594782628 953645645 /nfs/dbraw/zinc/64/56/45/953645645.db2.gz CNMSIRRHMRMJIL-LLVKDONJSA-N -1 1 363.189 0.905 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C[C@@H](C)O1 ZINC001589395194 954360937 /nfs/dbraw/zinc/36/09/37/954360937.db2.gz GNQDTCQJQWWVEP-PBFPGSCMSA-N -1 1 353.419 0.444 20 50 FCGDMM CCN(CC)S(=O)(=O)c1ccc(=NNC(=O)NCCC(=O)[O-])[nH]c1 ZINC000818197423 955386956 /nfs/dbraw/zinc/38/69/56/955386956.db2.gz QYTKHEAQIFOYSB-UHFFFAOYSA-N -1 1 359.408 0.213 20 50 FCGDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000739243255 978623681 /nfs/dbraw/zinc/62/36/81/978623681.db2.gz GWCXEHLZADFZIG-LSDHHAIUSA-N -1 1 360.414 0.067 20 50 FCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794879264 978824562 /nfs/dbraw/zinc/82/45/62/978824562.db2.gz MOTUMOYMPHMINL-KBPBESRZSA-N -1 1 363.414 0.957 20 50 FCGDMM C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)N1CCN(C)CC1 ZINC001592676630 979096888 /nfs/dbraw/zinc/09/68/88/979096888.db2.gz SPOJPSNXMPVPLW-NSHDSACASA-N -1 1 353.398 0.786 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCn3ccnc3C2)o1 ZINC000824352808 607461332 /nfs/dbraw/zinc/46/13/32/607461332.db2.gz OSIVXVIXURPDIX-SECBINFHSA-N -1 1 357.378 0.880 20 50 FCGDMM O=C([O-])N1CC(NC(=O)NNC(=O)c2ccc(Br)s2)C1 ZINC000831742680 604606240 /nfs/dbraw/zinc/60/62/40/604606240.db2.gz NJBNTHMMBOINTB-UHFFFAOYSA-N -1 1 363.193 0.817 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1cccc(C(F)(F)F)c1 ZINC000826425569 607712668 /nfs/dbraw/zinc/71/26/68/607712668.db2.gz JXZKIWDXONAQAD-UHFFFAOYSA-N -1 1 353.268 0.620 20 50 FCGDMM COC(=O)CSCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736930012 944911465 /nfs/dbraw/zinc/91/14/65/944911465.db2.gz DGUXLSYULZKQMB-UHFFFAOYSA-N -1 1 369.407 0.718 20 50 FCGDMM COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737046315 944939450 /nfs/dbraw/zinc/93/94/50/944939450.db2.gz ATDSBQYUAQVGIE-UHFFFAOYSA-N -1 1 373.760 0.999 20 50 FCGDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NNC(=O)C1CCC1 ZINC000737200396 944982348 /nfs/dbraw/zinc/98/23/48/944982348.db2.gz MBNUHPXDMQXFHX-UHFFFAOYSA-N -1 1 359.390 0.464 20 50 FCGDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[N-]C(=O)c1ccccn1 ZINC000737301126 945033913 /nfs/dbraw/zinc/03/39/13/945033913.db2.gz HZQYTRMAJXIJCM-UHFFFAOYSA-N -1 1 359.371 0.193 20 50 FCGDMM Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737402327 945058473 /nfs/dbraw/zinc/05/84/73/945058473.db2.gz UUHBGFCDMXSTOF-UHFFFAOYSA-N -1 1 353.342 0.410 20 50 FCGDMM Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737402327 945058483 /nfs/dbraw/zinc/05/84/83/945058483.db2.gz UUHBGFCDMXSTOF-UHFFFAOYSA-N -1 1 353.342 0.410 20 50 FCGDMM CC(=O)N[C@@](C)(C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C ZINC001573455320 945883132 /nfs/dbraw/zinc/88/31/32/945883132.db2.gz CYEZAGRRBNXTEH-OAHLLOKOSA-N -1 1 364.410 0.972 20 50 FCGDMM Cc1cc(C(=O)[N-]NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000822176185 945969162 /nfs/dbraw/zinc/96/91/62/945969162.db2.gz HEHLSRRKUPVJJC-SECBINFHSA-N -1 1 356.346 0.127 20 50 FCGDMM Cc1cc(C(=O)[N-]NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000822177425 945971564 /nfs/dbraw/zinc/97/15/64/945971564.db2.gz YVIJHVCJUXELAT-UHFFFAOYSA-N -1 1 370.373 0.517 20 50 FCGDMM C[C@H](C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)n1nnnc1C(C)(C)C ZINC001573731790 948597082 /nfs/dbraw/zinc/59/70/82/948597082.db2.gz ZBWZKYAHZIBQNN-MRVPVSSYSA-N -1 1 357.382 0.250 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001594437188 959248040 /nfs/dbraw/zinc/24/80/40/959248040.db2.gz KYQQQIMGSBJMEU-ONGXEEELSA-N -1 1 354.432 0.184 20 50 FCGDMM C[C@H](CN1CCN(C)CC1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592615320 978575053 /nfs/dbraw/zinc/57/50/53/978575053.db2.gz JDUVTNLECZCTFH-LLVKDONJSA-N -1 1 353.398 0.786 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@H](C)O1 ZINC001594509642 985780555 /nfs/dbraw/zinc/78/05/55/985780555.db2.gz WFRATJKCKAAQGO-YXSUXZIUSA-N -1 1 355.435 0.524 20 50 FCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001591111883 991773545 /nfs/dbraw/zinc/77/35/45/991773545.db2.gz WYOGKYJGNNQESF-ACJLOTCBSA-N -1 1 369.462 0.650 20 50 FCGDMM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@H]1CN(C)CCN1C ZINC001593102274 993742174 /nfs/dbraw/zinc/74/21/74/993742174.db2.gz QVXRAKUOENLKIL-QMTHXVAHSA-N -1 1 353.398 0.784 20 50 FCGDMM O=C([O-])NCC(=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000832397400 603701831 /nfs/dbraw/zinc/70/18/31/603701831.db2.gz UKQGWJQFJBYZOC-UHFFFAOYSA-N -1 1 371.400 0.655 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2cncc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000833618978 605028200 /nfs/dbraw/zinc/02/82/00/605028200.db2.gz HTDDXYHNFMRFQP-GHMZBOCLSA-N -1 1 350.375 0.040 20 50 FCGDMM Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737490360 945081664 /nfs/dbraw/zinc/08/16/64/945081664.db2.gz TZPBSCAWZZXAIQ-UHFFFAOYSA-N -1 1 363.341 0.293 20 50 FCGDMM Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737490360 945081674 /nfs/dbraw/zinc/08/16/74/945081674.db2.gz TZPBSCAWZZXAIQ-UHFFFAOYSA-N -1 1 363.341 0.293 20 50 FCGDMM Cn1c(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2ccccc2c1=O ZINC000737596471 945098012 /nfs/dbraw/zinc/09/80/12/945098012.db2.gz NXGTZBWNAJLIKX-UHFFFAOYSA-N -1 1 363.341 0.266 20 50 FCGDMM Cn1c(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2ccccc2c1=O ZINC000737596471 945098022 /nfs/dbraw/zinc/09/80/22/945098022.db2.gz NXGTZBWNAJLIKX-UHFFFAOYSA-N -1 1 363.341 0.266 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2(C(=O)NC3CC3)CCC2)o1 ZINC000735939251 944718727 /nfs/dbraw/zinc/71/87/27/944718727.db2.gz MEUAQNSYPBVCJB-UHFFFAOYSA-N -1 1 374.405 0.870 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)CS(C)(=O)=O)o1 ZINC000820295044 945409339 /nfs/dbraw/zinc/40/93/39/945409339.db2.gz XEOZFTPZEQLJPO-ZETCQYMHSA-N -1 1 357.396 0.102 20 50 FCGDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NNC(=O)CC(C)C ZINC000822005017 945917225 /nfs/dbraw/zinc/91/72/25/945917225.db2.gz NFAOXQNKKFXXFH-UHFFFAOYSA-N -1 1 361.406 0.710 20 50 FCGDMM Cn1nc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)c2ccccc2c1=O ZINC000822704584 946164434 /nfs/dbraw/zinc/16/44/34/946164434.db2.gz NMNPNNKKIDLSLQ-UHFFFAOYSA-N -1 1 364.325 0.471 20 50 FCGDMM Cn1nc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)c2ccccc2c1=O ZINC000822704584 946164442 /nfs/dbraw/zinc/16/44/42/946164442.db2.gz NMNPNNKKIDLSLQ-UHFFFAOYSA-N -1 1 364.325 0.471 20 50 FCGDMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NNC(=O)c1ccccc1 ZINC000823026897 946280211 /nfs/dbraw/zinc/28/02/11/946280211.db2.gz HVVARTCKNIYWOD-UHFFFAOYSA-N -1 1 372.366 0.546 20 50 FCGDMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NNC(=O)c1ccccc1 ZINC000823026897 946280225 /nfs/dbraw/zinc/28/02/25/946280225.db2.gz HVVARTCKNIYWOD-UHFFFAOYSA-N -1 1 372.366 0.546 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccccc1C(F)(F)F ZINC000823131191 946323057 /nfs/dbraw/zinc/32/30/57/946323057.db2.gz CUBSAUBBKNAINF-UHFFFAOYSA-N -1 1 353.268 0.620 20 50 FCGDMM COC[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC001593968208 956584149 /nfs/dbraw/zinc/58/41/49/956584149.db2.gz YYRJZDFAMAEVGK-INIZCTEOSA-N -1 1 369.805 0.524 20 50 FCGDMM O=C([O-])[C@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC001574521605 961857767 /nfs/dbraw/zinc/85/77/67/961857767.db2.gz MNVZESUOWNJZBE-KRWDZBQOSA-N -1 1 374.441 0.457 20 50 FCGDMM CC[C@@H](CNC(=O)NN=c1ccc(S(=O)(=O)NC(C)C)c[nH]1)C(=O)[O-] ZINC001603565735 973686749 /nfs/dbraw/zinc/68/67/49/973686749.db2.gz IQYSUDJOSBHBDM-JTQLQIEISA-N -1 1 373.435 0.505 20 50 FCGDMM C[C@@](CC(=O)[O-])(NCC(=O)NNC(=O)c1ccc(F)cc1)c1cccnc1 ZINC001592323737 977737813 /nfs/dbraw/zinc/73/78/13/977737813.db2.gz XCKILFXRLKDLJS-SFHVURJKSA-N -1 1 374.372 0.961 20 50 FCGDMM C[C@](CC(=O)[O-])(NCC(=O)NNC(=O)c1ccc(F)cc1)c1cccnc1 ZINC001592323736 977738282 /nfs/dbraw/zinc/73/82/82/977738282.db2.gz XCKILFXRLKDLJS-GOSISDBHSA-N -1 1 374.372 0.961 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])s2)C[C@H](C)O1 ZINC000736811429 978358422 /nfs/dbraw/zinc/35/84/22/978358422.db2.gz QUBGWHBZMUBPRF-AOOOYVTPSA-N -1 1 355.416 0.707 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@@H](C)O1 ZINC001594509640 985781279 /nfs/dbraw/zinc/78/12/79/985781279.db2.gz WFRATJKCKAAQGO-AAVRWANBSA-N -1 1 355.435 0.524 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)Cc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833623752 604881309 /nfs/dbraw/zinc/88/13/09/604881309.db2.gz SLKBNFSKPIBIEE-BETUJISGSA-N -1 1 363.414 0.574 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)Cc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000833623754 604881342 /nfs/dbraw/zinc/88/13/42/604881342.db2.gz SLKBNFSKPIBIEE-CHWSQXEVSA-N -1 1 363.414 0.574 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000828452215 604921225 /nfs/dbraw/zinc/92/12/25/604921225.db2.gz YXNZONCORGQCCU-GHMZBOCLSA-N -1 1 367.377 0.784 20 50 FCGDMM O=C(COc1ccccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737928760 945156759 /nfs/dbraw/zinc/15/67/59/945156759.db2.gz GOMAYKFKYRTIRI-UHFFFAOYSA-N -1 1 357.305 0.241 20 50 FCGDMM O=C(COc1ccccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737928760 945156764 /nfs/dbraw/zinc/15/67/64/945156764.db2.gz GOMAYKFKYRTIRI-UHFFFAOYSA-N -1 1 357.305 0.241 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](O)C2CCOCC2)o1 ZINC000820203280 945379604 /nfs/dbraw/zinc/37/96/04/945379604.db2.gz QSFCXBHTAQMEGL-SNVBAGLBSA-N -1 1 351.367 0.209 20 50 FCGDMM C[C@@](CC(=O)[O-])(NCC(=O)NNC(=O)c1ccccc1)c1ccncc1 ZINC001592319970 977713296 /nfs/dbraw/zinc/71/32/96/977713296.db2.gz GLFBCHIKGOYGON-SFHVURJKSA-N -1 1 356.382 0.822 20 50 FCGDMM C[C@@H]1C[N@H+](CCC(=O)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828452216 604921314 /nfs/dbraw/zinc/92/13/14/604921314.db2.gz YXNZONCORGQCCU-PHIMTYICSA-N -1 1 367.377 0.784 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828452216 604921317 /nfs/dbraw/zinc/92/13/17/604921317.db2.gz YXNZONCORGQCCU-PHIMTYICSA-N -1 1 367.377 0.784 20 50 FCGDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737497841 945081734 /nfs/dbraw/zinc/08/17/34/945081734.db2.gz HKBKPOAWYQOWOB-UHFFFAOYSA-N -1 1 368.313 0.553 20 50 FCGDMM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1cc(-c2ccco2)[nH]n1 ZINC000738135860 945227084 /nfs/dbraw/zinc/22/70/84/945227084.db2.gz COOFOZKYVWUUAA-UHFFFAOYSA-N -1 1 364.325 0.925 20 50 FCGDMM COc1c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c(C)nn1C ZINC000737024643 944936426 /nfs/dbraw/zinc/93/64/26/944936426.db2.gz VEMWTHZUTOGJMM-UHFFFAOYSA-N -1 1 361.366 0.786 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)NCc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821712453 945841922 /nfs/dbraw/zinc/84/19/22/945841922.db2.gz IRNRRRBYOFURHN-UHFFFAOYSA-N -1 1 355.362 0.800 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821712451 945843306 /nfs/dbraw/zinc/84/33/06/945843306.db2.gz IPYLLMSLOONJHW-UHFFFAOYSA-N -1 1 355.362 0.800 20 50 FCGDMM O=C([N-]NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cc(-c2cccs2)[nH]n1 ZINC000826444998 948308288 /nfs/dbraw/zinc/30/82/88/948308288.db2.gz BZLYKLNJVWRQDK-UHFFFAOYSA-N -1 1 369.370 0.721 20 50 FCGDMM Cc1ncsc1C(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000740242582 955258568 /nfs/dbraw/zinc/25/85/68/955258568.db2.gz PDWIIFKBLFUEPL-GFCCVEGCSA-N -1 1 373.394 0.932 20 50 FCGDMM CCN(CC)S(=O)(=O)c1ccc(=NNC(=O)NC[C@H](C)C(=O)[O-])[nH]c1 ZINC000848587716 969266543 /nfs/dbraw/zinc/26/65/43/969266543.db2.gz KBPWOGGORSNKPZ-JTQLQIEISA-N -1 1 373.435 0.459 20 50 FCGDMM CC[C@H](C)[C@H](NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001597324433 987452905 /nfs/dbraw/zinc/45/29/05/987452905.db2.gz LSGJIFIFZZHQMV-BONVTDFDSA-N -1 1 367.402 0.554 20 50 FCGDMM CN1CC[C@@H](CNC(=O)NNC(=O)C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598584511 993362753 /nfs/dbraw/zinc/36/27/53/993362753.db2.gz WDIRAXPYHOKSIZ-CABZTGNLSA-N -1 1 372.784 0.887 20 50 FCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000828439216 601538505 /nfs/dbraw/zinc/53/85/05/601538505.db2.gz HTXLSFJGMOCFTL-CABZTGNLSA-N -1 1 350.331 0.008 20 50 FCGDMM C[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828023861 601953045 /nfs/dbraw/zinc/95/30/45/601953045.db2.gz DMUJCCPYKCBESH-HNNXBMFYSA-N -1 1 350.331 0.152 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccn3c(=O)[nH]nc23)o1 ZINC000824358728 609214698 /nfs/dbraw/zinc/21/46/98/609214698.db2.gz PDIRRPLYMLWOAS-UHFFFAOYSA-N -1 1 370.333 0.483 20 50 FCGDMM O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738136252 945232196 /nfs/dbraw/zinc/23/21/96/945232196.db2.gz IKUUMTOUPYAYDO-UHFFFAOYSA-N -1 1 371.288 0.989 20 50 FCGDMM CCc1[nH]nc(C(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000736668150 944866114 /nfs/dbraw/zinc/86/61/14/944866114.db2.gz WOADXKKPKCYJKO-UHFFFAOYSA-N -1 1 371.317 0.135 20 50 FCGDMM CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821938032 945906657 /nfs/dbraw/zinc/90/66/57/945906657.db2.gz VZLSTUGVLTVSRL-UHFFFAOYSA-N -1 1 360.355 0.627 20 50 FCGDMM CS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821938032 945906667 /nfs/dbraw/zinc/90/66/67/945906667.db2.gz VZLSTUGVLTVSRL-UHFFFAOYSA-N -1 1 360.355 0.627 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1c(Cl)cccc1Cl ZINC000823131084 946324506 /nfs/dbraw/zinc/32/45/06/946324506.db2.gz BXJHTBADAZNVEX-UHFFFAOYSA-N -1 1 354.161 0.908 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccnc3ccnn32)o1 ZINC001574424740 948859578 /nfs/dbraw/zinc/85/95/78/948859578.db2.gz TWGWDYMMAQHHCM-UHFFFAOYSA-N -1 1 354.334 0.778 20 50 FCGDMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001589278837 953477261 /nfs/dbraw/zinc/47/72/61/953477261.db2.gz IOOYUOUVRMZELM-CMPLNLGQSA-N -1 1 364.358 0.398 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000818976804 955426983 /nfs/dbraw/zinc/42/69/83/955426983.db2.gz QNFYORQLAPOYEJ-LLVKDONJSA-N -1 1 354.432 0.328 20 50 FCGDMM N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001594625392 956309455 /nfs/dbraw/zinc/30/94/55/956309455.db2.gz GDJZZYIRFVGXNX-LSDHHAIUSA-N -1 1 356.382 0.362 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)n1 ZINC001594438177 959254759 /nfs/dbraw/zinc/25/47/59/959254759.db2.gz WTIAKLCBEXVZCC-MNOVXSKESA-N -1 1 354.432 0.327 20 50 FCGDMM CCO/C=C(\C#N)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001603835183 974335757 /nfs/dbraw/zinc/33/57/57/974335757.db2.gz RFWDNADWPMFLOQ-GOPXOUGQSA-N -1 1 363.292 0.553 20 50 FCGDMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)[O-])c2C1 ZINC001590974391 991108771 /nfs/dbraw/zinc/10/87/71/991108771.db2.gz KPKTUIHASHUWMU-JTQLQIEISA-N -1 1 362.386 0.217 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc(C(F)(F)F)cc1 ZINC000826425806 607391874 /nfs/dbraw/zinc/39/18/74/607391874.db2.gz UTAGUVBHKDEQSN-UHFFFAOYSA-N -1 1 353.268 0.620 20 50 FCGDMM CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948442 608094473 /nfs/dbraw/zinc/09/44/73/608094473.db2.gz MXZLIIWPQDZPHS-UHFFFAOYSA-N -1 1 359.371 0.791 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2(O)CCSCC2)o1 ZINC000824352393 608196595 /nfs/dbraw/zinc/19/65/95/608196595.db2.gz CAHNFPAAPWFSEZ-UHFFFAOYSA-N -1 1 353.408 0.679 20 50 FCGDMM Cc1onc(CC(=O)NNc2ccc(C(F)(F)F)nn2)c1-c1nn[n-]n1 ZINC000826348480 609467661 /nfs/dbraw/zinc/46/76/61/609467661.db2.gz OFJAFFBNPGXXPE-UHFFFAOYSA-N -1 1 369.267 0.658 20 50 FCGDMM O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737987492 945172549 /nfs/dbraw/zinc/17/25/49/945172549.db2.gz YTCKKTLXSAKNGU-UHFFFAOYSA-N -1 1 362.353 0.678 20 50 FCGDMM O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737987492 945172552 /nfs/dbraw/zinc/17/25/52/945172552.db2.gz YTCKKTLXSAKNGU-UHFFFAOYSA-N -1 1 362.353 0.678 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCS(C)(=O)=O)o1 ZINC000735940254 944723749 /nfs/dbraw/zinc/72/37/49/944723749.db2.gz XRMMPAFIRYDZSS-UHFFFAOYSA-N -1 1 357.396 0.246 20 50 FCGDMM CCN(CC)c1cc[nH]c(=NNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821198932 945653086 /nfs/dbraw/zinc/65/30/86/945653086.db2.gz YHFCTLKNLZJXLS-UHFFFAOYSA-N -1 1 354.378 0.655 20 50 FCGDMM CCN(CC)c1cc[nH]c(=NNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821198932 945653087 /nfs/dbraw/zinc/65/30/87/945653087.db2.gz YHFCTLKNLZJXLS-UHFFFAOYSA-N -1 1 354.378 0.655 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821711954 945841391 /nfs/dbraw/zinc/84/13/91/945841391.db2.gz BNZSHQMHYBMNGR-UHFFFAOYSA-N -1 1 356.346 0.496 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821712733 945841493 /nfs/dbraw/zinc/84/14/93/945841493.db2.gz LSCDLVHJEARSEQ-UHFFFAOYSA-N -1 1 355.362 0.529 20 50 FCGDMM Cc1onc(CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1C#N ZINC000826348471 948075207 /nfs/dbraw/zinc/07/52/07/948075207.db2.gz NVTWXYSEXBPRJZ-UHFFFAOYSA-N -1 1 357.334 0.832 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826348572 948077575 /nfs/dbraw/zinc/07/75/75/948077575.db2.gz SXZJRMSTVXNDJZ-UHFFFAOYSA-N -1 1 361.749 0.820 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826348572 948077584 /nfs/dbraw/zinc/07/75/84/948077584.db2.gz SXZJRMSTVXNDJZ-UHFFFAOYSA-N -1 1 361.749 0.820 20 50 FCGDMM O=C([O-])CN1CCCC[C@H](NC(=O)NNc2ccnc3cccnc32)C1=O ZINC001595094904 951806495 /nfs/dbraw/zinc/80/64/95/951806495.db2.gz XWMVXHKBEFWAPS-ZDUSSCGKSA-N -1 1 372.385 0.144 20 50 FCGDMM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001605140536 972809252 /nfs/dbraw/zinc/80/92/52/972809252.db2.gz BZAHVNIJEQDTRQ-BETUJISGSA-N -1 1 363.414 0.954 20 50 FCGDMM C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794879268 978824671 /nfs/dbraw/zinc/82/46/71/978824671.db2.gz MOTUMOYMPHMINL-KGLIPLIRSA-N -1 1 363.414 0.957 20 50 FCGDMM C#CCN1CCC(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)CC1 ZINC001588471170 983504800 /nfs/dbraw/zinc/50/48/00/983504800.db2.gz CJKMFFHWKYYCSQ-UHFFFAOYSA-N -1 1 350.444 0.925 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC001594509710 985782450 /nfs/dbraw/zinc/78/24/50/985782450.db2.gz XZTHFIHMQAGIMD-XDQVBPFNSA-N -1 1 355.435 0.524 20 50 FCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000828442273 601532585 /nfs/dbraw/zinc/53/25/85/601532585.db2.gz ZRLLTQHXNTZWOY-BXKDBHETSA-N -1 1 350.331 0.008 20 50 FCGDMM CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948664 608094360 /nfs/dbraw/zinc/09/43/60/608094360.db2.gz UDUGUBTUFRTRRC-MRVPVSSYSA-N -1 1 369.432 0.139 20 50 FCGDMM O=C(NN=c1cc(-c2nn[n-]n2)cc(Cl)[nH]1)c1nccn2ccnc12 ZINC000826445604 608580484 /nfs/dbraw/zinc/58/04/84/608580484.db2.gz AXUTZHDYAKXGLB-UHFFFAOYSA-N -1 1 356.737 0.715 20 50 FCGDMM O=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738134942 945224442 /nfs/dbraw/zinc/22/44/42/945224442.db2.gz ZWYPAOQJVMYIGG-UHFFFAOYSA-N -1 1 354.227 0.970 20 50 FCGDMM O=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738134942 945224447 /nfs/dbraw/zinc/22/44/47/945224447.db2.gz ZWYPAOQJVMYIGG-UHFFFAOYSA-N -1 1 354.227 0.970 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cc(C(N)=O)cn2C)o1 ZINC000820202743 945375514 /nfs/dbraw/zinc/37/55/14/945375514.db2.gz KRYGXJULVFXPQO-UHFFFAOYSA-N -1 1 359.350 0.172 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC000821713230 945845610 /nfs/dbraw/zinc/84/56/10/945845610.db2.gz SDKINXJQHDNOBU-UHFFFAOYSA-N -1 1 373.352 0.939 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)COc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821713236 945846997 /nfs/dbraw/zinc/84/69/97/945846997.db2.gz SNAHVXJKYNBKLV-UHFFFAOYSA-N -1 1 356.346 0.496 20 50 FCGDMM N#Cc1ncn(CC(=O)NNC(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826387948 948192629 /nfs/dbraw/zinc/19/26/29/948192629.db2.gz AVYZOPXAYFKTPV-UHFFFAOYSA-N -1 1 371.748 0.049 20 50 FCGDMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 ZINC001589604307 949220501 /nfs/dbraw/zinc/22/05/01/949220501.db2.gz APJDKIYIDLFKPZ-GOSISDBHSA-N -1 1 358.398 0.896 20 50 FCGDMM C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])nc2)C[C@H](C)O1 ZINC001589395259 954362903 /nfs/dbraw/zinc/36/29/03/954362903.db2.gz IAYSHUDSMMVZPX-QWRGUYRKSA-N -1 1 350.375 0.040 20 50 FCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC001599928210 985248907 /nfs/dbraw/zinc/24/89/07/985248907.db2.gz XFIMSZJCPHQQDY-QFYYESIMSA-N -1 1 364.358 0.398 20 50 FCGDMM CN(CC(=O)NNc1cccc(F)c1C(=O)[O-])c1ncnc2[nH]cnc21 ZINC001598396890 991665104 /nfs/dbraw/zinc/66/51/04/991665104.db2.gz WGKMEDHHXVYJTJ-UHFFFAOYSA-N -1 1 359.321 0.770 20 50 FCGDMM CN1CC[C@H](CNC(=O)NNC(=O)C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598584513 993362661 /nfs/dbraw/zinc/36/26/61/993362661.db2.gz WDIRAXPYHOKSIZ-SKDRFNHKSA-N -1 1 372.784 0.887 20 50 FCGDMM COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000832362720 601503138 /nfs/dbraw/zinc/50/31/38/601503138.db2.gz PWAMDCLORNVKKX-BXKDBHETSA-N -1 1 369.805 0.762 20 50 FCGDMM COc1ccc(C(=O)NNC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000832174794 601952144 /nfs/dbraw/zinc/95/21/44/601952144.db2.gz RVHWKYNZSPFEBM-QGZVFWFLSA-N -1 1 365.386 0.261 20 50 FCGDMM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000827304721 602066279 /nfs/dbraw/zinc/06/62/79/602066279.db2.gz ZMLZDJGWMNOVGE-AWEZNQCLSA-N -1 1 362.430 0.457 20 50 FCGDMM Cc1nnc2n1C[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)CC2 ZINC000826337305 607567415 /nfs/dbraw/zinc/56/74/15/607567415.db2.gz JUIYCJFXRRUANI-SECBINFHSA-N -1 1 372.393 0.584 20 50 FCGDMM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1ccc(F)cn1 ZINC000826417251 608133245 /nfs/dbraw/zinc/13/32/45/608133245.db2.gz JZNOTSQCKSKHET-UHFFFAOYSA-N -1 1 357.305 0.241 20 50 FCGDMM CCc1sc(C(=O)NNC(=O)Cn2ccnc2-c2nnn[n-]2)cc1C ZINC000825782662 608891741 /nfs/dbraw/zinc/89/17/41/608891741.db2.gz KSJNVQNIEHAEGD-UHFFFAOYSA-N -1 1 360.403 0.457 20 50 FCGDMM CCc1sc(C(=O)NNC(=O)Cn2ccnc2-c2nn[n-]n2)cc1C ZINC000825782662 608891742 /nfs/dbraw/zinc/89/17/42/608891742.db2.gz KSJNVQNIEHAEGD-UHFFFAOYSA-N -1 1 360.403 0.457 20 50 FCGDMM O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738135710 945227212 /nfs/dbraw/zinc/22/72/12/945227212.db2.gz BBTKTBNKVRDPMO-UHFFFAOYSA-N -1 1 360.337 0.885 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](O)C2CCOCC2)o1 ZINC000820203279 945379070 /nfs/dbraw/zinc/37/90/70/945379070.db2.gz QSFCXBHTAQMEGL-JTQLQIEISA-N -1 1 351.367 0.209 20 50 FCGDMM O=C(CNC(=O)c1cccs1)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823005174 946261235 /nfs/dbraw/zinc/26/12/35/946261235.db2.gz FUYKCJQZNNHTHC-UHFFFAOYSA-N -1 1 361.412 0.870 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000826348430 948072634 /nfs/dbraw/zinc/07/26/34/948072634.db2.gz LPPVWTRJDLKGBH-UHFFFAOYSA-N -1 1 366.341 0.648 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000826348430 948072644 /nfs/dbraw/zinc/07/26/44/948072644.db2.gz LPPVWTRJDLKGBH-UHFFFAOYSA-N -1 1 366.341 0.648 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826348607 948078653 /nfs/dbraw/zinc/07/86/53/948078653.db2.gz VFGOPZQUPPHNED-UHFFFAOYSA-N -1 1 352.314 0.039 20 50 FCGDMM Cc1onc(CC(=O)NNC(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826348607 948078657 /nfs/dbraw/zinc/07/86/57/948078657.db2.gz VFGOPZQUPPHNED-UHFFFAOYSA-N -1 1 352.314 0.039 20 50 FCGDMM CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCCC(=O)[O-])nc1 ZINC000840992935 955579192 /nfs/dbraw/zinc/57/91/92/955579192.db2.gz YKKCSFOSIKHCHF-UHFFFAOYSA-N -1 1 373.435 0.649 20 50 FCGDMM CO[C@@](C)(C(=O)[O-])C(=O)NNC(=O)c1ccc(Br)s1 ZINC001593927283 956143332 /nfs/dbraw/zinc/14/33/32/956143332.db2.gz WFDJZBISJQNOBW-SNVBAGLBSA-N -1 1 351.178 0.761 20 50 FCGDMM COC[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 ZINC001593966469 956550954 /nfs/dbraw/zinc/55/09/54/956550954.db2.gz JFPHRGZVTFRTOO-INIZCTEOSA-N -1 1 353.350 0.010 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001594437186 959248424 /nfs/dbraw/zinc/24/84/24/959248424.db2.gz KYQQQIMGSBJMEU-KOLCDFICSA-N -1 1 354.432 0.184 20 50 FCGDMM Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C(=O)[O-])CC[C@H]2C)n1 ZINC001594438175 959255082 /nfs/dbraw/zinc/25/50/82/959255082.db2.gz WTIAKLCBEXVZCC-GHMZBOCLSA-N -1 1 354.432 0.327 20 50 FCGDMM C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001594509711 985782573 /nfs/dbraw/zinc/78/25/73/985782573.db2.gz XZTHFIHMQAGIMD-YIYPIFLZSA-N -1 1 355.435 0.524 20 50 FCGDMM C[N-]S(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090987 607908599 /nfs/dbraw/zinc/90/85/99/607908599.db2.gz UDKMYFZWYQJMCL-UHFFFAOYSA-N -1 1 363.359 0.125 20 50 FCGDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NNc1cccnn1 ZINC000737200310 944983544 /nfs/dbraw/zinc/98/35/44/944983544.db2.gz LETKFFJUBNOHEP-UHFFFAOYSA-N -1 1 355.362 0.450 20 50 FCGDMM CCC[C@@H](NC(N)=O)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821139140 945640959 /nfs/dbraw/zinc/64/09/59/945640959.db2.gz PIKHYNZMXFHYPJ-SSDOTTSWSA-N -1 1 351.371 0.258 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821712911 945846035 /nfs/dbraw/zinc/84/60/35/945846035.db2.gz NCSNSPLBJUITNU-SNVBAGLBSA-N -1 1 370.373 0.884 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1ccc2ccccc2c1 ZINC000823132077 946327835 /nfs/dbraw/zinc/32/78/35/946327835.db2.gz YNEULWSUSFZHQF-UHFFFAOYSA-N -1 1 363.341 0.073 20 50 FCGDMM CC(C)(C)c1nnc(CNC(=O)NN=c2ccc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001573885841 950839681 /nfs/dbraw/zinc/83/96/81/950839681.db2.gz VIRCNFCRIORIGP-UHFFFAOYSA-N -1 1 357.382 0.504 20 50 FCGDMM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001589278839 953477192 /nfs/dbraw/zinc/47/71/92/953477192.db2.gz IOOYUOUVRMZELM-JQWIXIFHSA-N -1 1 364.358 0.398 20 50 FCGDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)[C@H](C)CN1CCOCC1 ZINC000738922043 978608703 /nfs/dbraw/zinc/60/87/03/978608703.db2.gz CLKXPYBEFXPTCJ-GFCCVEGCSA-N -1 1 365.434 0.393 20 50 FCGDMM Cc1[nH]c(C(=O)NNC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599953000 985641805 /nfs/dbraw/zinc/64/18/05/985641805.db2.gz FARCSNDZOVVDNA-AOOOYVTPSA-N -1 1 366.418 0.590 20 50 FCGDMM Cc1[nH]c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599953000 985641813 /nfs/dbraw/zinc/64/18/13/985641813.db2.gz FARCSNDZOVVDNA-AOOOYVTPSA-N -1 1 366.418 0.590 20 50 FCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1cc(Cl)ccc1Cl ZINC000826425579 607391750 /nfs/dbraw/zinc/39/17/50/607391750.db2.gz KEMMLBIANBZZPD-UHFFFAOYSA-N -1 1 354.161 0.908 20 50 FCGDMM C[N-]S(=O)(=O)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826090654 607909319 /nfs/dbraw/zinc/90/93/19/607909319.db2.gz KRTJNDUUMILLFJ-UHFFFAOYSA-N -1 1 363.359 0.125 20 50 FCGDMM CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948789 608094530 /nfs/dbraw/zinc/09/45/30/608094530.db2.gz YBLLDLPFUXQOHH-QMMMGPOBSA-N -1 1 354.417 0.203 20 50 FCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccc3n[nH]c(=O)n3c2)o1 ZINC000824359609 608106442 /nfs/dbraw/zinc/10/64/42/608106442.db2.gz YCPRAMOGTFXRDF-UHFFFAOYSA-N -1 1 370.333 0.483 20 50 FCGDMM COc1cc(C)[n-]c(=NNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826178992 609242333 /nfs/dbraw/zinc/24/23/33/609242333.db2.gz TZPMFWZTQQATIP-LBPRGKRZSA-N -1 1 356.346 0.150 20 50 FCGDMM Cc1cc2ccccc2[nH]c1=NNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826273147 609263122 /nfs/dbraw/zinc/26/31/22/609263122.db2.gz RHGFNSMQPWTYBD-UHFFFAOYSA-N -1 1 350.346 0.458 20 50 FCGDMM