smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)CC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000331539743 168344940 /nfs/dbraw/zinc/34/49/40/168344940.db2.gz VJRYXIUAKDLQTB-UHFFFAOYSA-N 0 2 247.342 2.541 20 0 BFADLN Cc1cc([C@@H](C)NC(=O)C(F)(F)F)ccc1F ZINC000267827992 178221188 /nfs/dbraw/zinc/22/11/88/178221188.db2.gz JIGUJCZPRTUKBG-SSDOTTSWSA-N 0 2 249.207 2.874 20 0 BFADLN Cc1cc2ccccc2[nH+]c1NC[C@@H](C)C(=O)[O-] ZINC000063105346 178298423 /nfs/dbraw/zinc/29/84/23/178298423.db2.gz XRTDBPATMMTNMO-SNVBAGLBSA-N 0 2 244.294 2.676 20 0 BFADLN C1=C(CNc2nc(C3CC3)ns2)CCCC1 ZINC000379754851 361836469 /nfs/dbraw/zinc/83/64/69/361836469.db2.gz TUAZXRAEKGPLHO-UHFFFAOYSA-N 0 2 235.356 2.750 20 0 BFADLN Cc1ccc(N2N=C3[C@H](C)CC[C@@H]3C2=O)cc1 ZINC000634583156 342800431 /nfs/dbraw/zinc/80/04/31/342800431.db2.gz MSFPACZPNYQKLJ-PWSUYJOCSA-N 0 2 228.295 2.744 20 0 BFADLN C[C@@H]1C(=O)N(C2CCCC2)N=C1c1cccs1 ZINC000634588294 342934040 /nfs/dbraw/zinc/93/40/40/342934040.db2.gz OBKOCADPNHSYNJ-VIFPVBQESA-N 0 2 248.351 2.873 20 0 BFADLN Cc1ccc([N@H+](C)CCCCC(=O)[O-])cc1 ZINC000050005132 398333549 /nfs/dbraw/zinc/33/35/49/398333549.db2.gz YWUXZZPSCOVIIW-UHFFFAOYSA-N 0 2 221.300 2.686 20 0 BFADLN Cc1ccc([N@@H+](C)CCCCC(=O)[O-])cc1 ZINC000050005132 398333550 /nfs/dbraw/zinc/33/35/50/398333550.db2.gz YWUXZZPSCOVIIW-UHFFFAOYSA-N 0 2 221.300 2.686 20 0 BFADLN CCCCC1=NN(c2ccncc2)C(=O)[C@@H]1C ZINC000634591625 342943397 /nfs/dbraw/zinc/94/33/97/342943397.db2.gz IVGQPNIUPDMUBK-SNVBAGLBSA-N 0 2 231.299 2.611 20 0 BFADLN CCCn1[nH]c2c(c1=O)CCCCCC2 ZINC000634592278 342946000 /nfs/dbraw/zinc/94/60/00/342946000.db2.gz DPLZRWQOWSAXJP-JTQLQIEISA-N 0 2 208.305 2.565 20 0 BFADLN CC1=NN(c2cccc(Cl)c2F)C(=O)[C@H]1C ZINC000634594942 342956086 /nfs/dbraw/zinc/95/60/86/342956086.db2.gz LMPRMWMMCDZHES-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN CC1=NN(c2nccc3sccc32)C(=O)[C@@H]1C ZINC000634596322 342966108 /nfs/dbraw/zinc/96/61/08/342966108.db2.gz CENJCBRMAMLRKU-SSDOTTSWSA-N 0 2 245.307 2.655 20 0 BFADLN CC1CCC(N2N=C(c3ccoc3)CC2=O)CC1 ZINC000634599492 342988717 /nfs/dbraw/zinc/98/87/17/342988717.db2.gz JSAXQTDIDIXLBY-UHFFFAOYSA-N 0 2 246.310 2.795 20 0 BFADLN CC1CCC(n2[nH]c(-c3ccoc3)cc2=O)CC1 ZINC000634599492 342988719 /nfs/dbraw/zinc/98/87/19/342988719.db2.gz JSAXQTDIDIXLBY-UHFFFAOYSA-N 0 2 246.310 2.795 20 0 BFADLN CCC1=NN(c2cccc(F)c2F)C(=O)[C@@H]1C ZINC000634613615 343009212 /nfs/dbraw/zinc/00/92/12/343009212.db2.gz CSDCLZCWNXSALX-SSDOTTSWSA-N 0 2 238.237 2.714 20 0 BFADLN CC[C@H](C)N1N=C(c2cccs2)[C@H](C)C1=O ZINC000634624088 343024780 /nfs/dbraw/zinc/02/47/80/343024780.db2.gz XIBSZVSWMNCBLC-IUCAKERBSA-N 0 2 236.340 2.729 20 0 BFADLN CC[C@@H](C)N1N=C(c2cccs2)[C@H](C)C1=O ZINC000634624086 343024796 /nfs/dbraw/zinc/02/47/96/343024796.db2.gz XIBSZVSWMNCBLC-BDAKNGLRSA-N 0 2 236.340 2.729 20 0 BFADLN CCCC1=NN([C@H]2CCCC2(C)C)C(=O)C1 ZINC000634625456 343029170 /nfs/dbraw/zinc/02/91/70/343029170.db2.gz HAKXMYKFZSUZIX-NSHDSACASA-N 0 2 222.332 2.954 20 0 BFADLN CC1(C)CCC[C@@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625562 343029829 /nfs/dbraw/zinc/02/98/29/343029829.db2.gz JHACTWPSIALTHJ-ONGXEEELSA-N 0 2 220.316 2.563 20 0 BFADLN CCC1=NN(C2CCC(C)(C)CC2)C(=O)C1 ZINC000634635725 343049487 /nfs/dbraw/zinc/04/94/87/343049487.db2.gz LRRQYPDERFCYCZ-UHFFFAOYSA-N 0 2 222.332 2.954 20 0 BFADLN CCC1=NN([C@@H]2CCc3c2cccc3F)C(=O)C1 ZINC000634632417 343043594 /nfs/dbraw/zinc/04/35/94/343043594.db2.gz QOLMSOIPLFSGKR-CYBMUJFWSA-N 0 2 246.285 2.811 20 0 BFADLN O=C([O-])c1ccc[nH+]c1NC1CCCCCC1 ZINC000037388153 343344374 /nfs/dbraw/zinc/34/43/74/343344374.db2.gz ZSRKBVOUYWZINP-UHFFFAOYSA-N 0 2 234.299 2.915 20 0 BFADLN O=[S@](CC[C@H]1CCCCO1)c1ccccc1 ZINC000350507901 136361736 /nfs/dbraw/zinc/36/17/36/136361736.db2.gz JGWBNQBYHAFRPV-MLGOLLRUSA-N 0 2 238.352 2.753 20 0 BFADLN C1CC12C[C@@H]2Nc1nc(C2CCCCC2)ns1 ZINC000425272374 192087165 /nfs/dbraw/zinc/08/71/65/192087165.db2.gz KLBYIWXBARCYTO-JTQLQIEISA-N 0 2 249.383 2.972 20 0 BFADLN CC(C)CNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184172807 347151697 /nfs/dbraw/zinc/15/16/97/347151697.db2.gz HSFJLLZVWLOEEL-UHFFFAOYSA-N 0 2 245.681 2.571 20 0 BFADLN CCCc1nsc(N[C@@H]2CCC[C@@H]2CC)n1 ZINC000390643618 259396374 /nfs/dbraw/zinc/39/63/74/259396374.db2.gz NIMNEZOQSVYWHS-VHSXEESVSA-N 0 2 239.388 2.903 20 0 BFADLN Cc1ccccc1CSCc1cnn[nH]1 ZINC000287236937 179286937 /nfs/dbraw/zinc/28/69/37/179286937.db2.gz ONHFXTXMSBMGNT-UHFFFAOYSA-N 0 2 219.313 2.547 20 0 BFADLN CC[C@H](CC(C)C)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000410488463 191043487 /nfs/dbraw/zinc/04/34/87/191043487.db2.gz KLHLQQOKGBVMEY-GFCCVEGCSA-N 0 2 249.358 2.526 20 0 BFADLN Cc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nc1C ZINC000359715220 180429051 /nfs/dbraw/zinc/42/90/51/180429051.db2.gz KZSWQQTUQHKQDW-XDTLVQLUSA-N 0 2 246.358 2.503 20 0 BFADLN CCc1cc(C)c(C(=O)N[C@H]2CC=CCC2)o1 ZINC000177920502 366070256 /nfs/dbraw/zinc/07/02/56/366070256.db2.gz NUJXLCOTGOYLIE-NSHDSACASA-N 0 2 233.311 2.989 20 0 BFADLN CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnc[nH]1 ZINC000280316258 188031795 /nfs/dbraw/zinc/03/17/95/188031795.db2.gz XPVBADHHTKQGNK-VIFPVBQESA-N 0 2 247.264 2.573 20 0 BFADLN O=C(CCCC1CCCCC1)N=c1cccn[nH]1 ZINC000346064974 354851467 /nfs/dbraw/zinc/85/14/67/354851467.db2.gz RAAGIQLPIYYLIX-UHFFFAOYSA-N 0 2 247.342 2.588 20 0 BFADLN C1CC(Nc2nc(C3CCCC3)ns2)C1 ZINC000420597051 192247923 /nfs/dbraw/zinc/24/79/23/192247923.db2.gz HZYDIAWAPKYSET-UHFFFAOYSA-N 0 2 223.345 2.582 20 0 BFADLN CC1CC(Nc2nc(C3CCCC3)ns2)C1 ZINC000420604971 192248314 /nfs/dbraw/zinc/24/83/14/192248314.db2.gz SZXUZRGYVPQHSV-UHFFFAOYSA-N 0 2 237.372 2.828 20 0 BFADLN C1CC(Nc2nc(C3CCCCC3)ns2)C1 ZINC000420607369 192248615 /nfs/dbraw/zinc/24/86/15/192248615.db2.gz YZHSLQLBQNCEIO-UHFFFAOYSA-N 0 2 237.372 2.972 20 0 BFADLN CC(C)(C)CCCCN=c1[nH]ncs1 ZINC000450311818 202125582 /nfs/dbraw/zinc/12/55/82/202125582.db2.gz FIZSLZWZKSGDKU-UHFFFAOYSA-N 0 2 213.350 2.588 20 0 BFADLN c1n[nH]c(=NCCCCCc2ccccc2)s1 ZINC000450308891 202126336 /nfs/dbraw/zinc/12/63/36/202126336.db2.gz PCEAOOJJTHXZFH-UHFFFAOYSA-N 0 2 247.367 2.785 20 0 BFADLN CC(C)=CCC[C@H](C)Nc1nc(C)ns1 ZINC000450671832 202232339 /nfs/dbraw/zinc/23/23/39/202232339.db2.gz GHMRWXRAQGLXLX-VIFPVBQESA-N 0 2 225.361 2.815 20 0 BFADLN CC(C)c1cc(=O)n(-c2nc3ccccc3o2)[nH]1 ZINC000614184943 363747195 /nfs/dbraw/zinc/74/71/95/363747195.db2.gz HPVBSYOWGHZLGU-UHFFFAOYSA-N 0 2 243.266 2.577 20 0 BFADLN c1[nH+]c2n(c1C[NH2+][C@@H]1CCC13CCC3)CCCC2 ZINC000579335598 366760779 /nfs/dbraw/zinc/76/07/79/366760779.db2.gz DEZXBVDUGBDGOB-CYBMUJFWSA-N 0 2 245.370 2.642 20 0 BFADLN CC[C@H](C)N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000183529031 367028947 /nfs/dbraw/zinc/02/89/47/367028947.db2.gz PJAMAKKEAMTIQJ-ZETCQYMHSA-N 0 2 243.253 2.541 20 0 BFADLN O=C([O-])C1(CNc2cccc[nH+]2)CCCCC1 ZINC000581551704 367584946 /nfs/dbraw/zinc/58/49/46/367584946.db2.gz WYVPIOGRASOREI-UHFFFAOYSA-N 0 2 234.299 2.529 20 0 BFADLN CC[C@H](CC(=O)Nc1nc(C)n[nH]1)C(C)(C)C ZINC000630924852 367963150 /nfs/dbraw/zinc/96/31/50/367963150.db2.gz XMACNSKPUVLBDL-SECBINFHSA-N 0 2 238.335 2.514 20 0 BFADLN C[C@@H]1CCCC[C@@H]1Nc1[nH+]cccc1C(=O)[O-] ZINC000020000241 371215607 /nfs/dbraw/zinc/21/56/07/371215607.db2.gz WKWDPQCMTIJIJA-KOLCDFICSA-N 0 2 234.299 2.770 20 0 BFADLN CCC[C@@H](C)CC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000341222451 169355895 /nfs/dbraw/zinc/35/58/95/169355895.db2.gz XWNQPNHLBJEPKZ-SNVBAGLBSA-N 0 2 247.342 2.541 20 0 BFADLN CC(C)CCNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000558787062 384290917 /nfs/dbraw/zinc/29/09/17/384290917.db2.gz AGCPHGWBHCKUMS-PTEHBNRSSA-N 0 2 209.333 2.585 20 0 BFADLN CCCc1nsc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000403415576 384655974 /nfs/dbraw/zinc/65/59/74/384655974.db2.gz QZZLHPIXQZHFBS-OPRDCNLKSA-N 0 2 237.372 2.513 20 0 BFADLN C[C@H]1Cc2ccccc2[N@@H+](CCCC(=O)[O-])C1 ZINC000104164068 384656461 /nfs/dbraw/zinc/65/64/61/384656461.db2.gz DURCCAVBAUGNCA-NSHDSACASA-N 0 2 233.311 2.550 20 0 BFADLN C[C@H]1Cc2ccccc2[N@H+](CCCC(=O)[O-])C1 ZINC000104164068 384656472 /nfs/dbraw/zinc/65/64/72/384656472.db2.gz DURCCAVBAUGNCA-NSHDSACASA-N 0 2 233.311 2.550 20 0 BFADLN C[C@@H]1Cc2ccccc2[N@@H+](CCCC(=O)[O-])C1 ZINC000104164062 384656581 /nfs/dbraw/zinc/65/65/81/384656581.db2.gz DURCCAVBAUGNCA-LLVKDONJSA-N 0 2 233.311 2.550 20 0 BFADLN C[C@@H]1Cc2ccccc2[N@H+](CCCC(=O)[O-])C1 ZINC000104164062 384656587 /nfs/dbraw/zinc/65/65/87/384656587.db2.gz DURCCAVBAUGNCA-LLVKDONJSA-N 0 2 233.311 2.550 20 0 BFADLN CCCCN(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000176987337 385165636 /nfs/dbraw/zinc/16/56/36/385165636.db2.gz GSKKTDZQKMNQAQ-UHFFFAOYSA-N 0 2 243.253 2.543 20 0 BFADLN CC(C)Cc1nsc(NCC(C)(C)C)n1 ZINC000336748776 385987453 /nfs/dbraw/zinc/98/74/53/385987453.db2.gz DSTIOJDXSSIDBI-UHFFFAOYSA-N 0 2 227.377 2.617 20 0 BFADLN CC(C)(C)CC[C@H](Nc1cccc[nH+]1)C(=O)[O-] ZINC000416439744 386316045 /nfs/dbraw/zinc/31/60/45/386316045.db2.gz NBWHSTZEPWCHJQ-JTQLQIEISA-N 0 2 236.315 2.773 20 0 BFADLN CC(C)(C)CC[C@@H](Nc1cccc[nH+]1)C(=O)[O-] ZINC000416439747 386316098 /nfs/dbraw/zinc/31/60/98/386316098.db2.gz NBWHSTZEPWCHJQ-SNVBAGLBSA-N 0 2 236.315 2.773 20 0 BFADLN CC[C@@H](C)CONc1ccc(C(F)(F)F)nn1 ZINC000291671873 386565172 /nfs/dbraw/zinc/56/51/72/386565172.db2.gz DNBVZMHQWDTLTP-SSDOTTSWSA-N 0 2 249.236 2.885 20 0 BFADLN CC(C)(C)CCC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000331533614 386867619 /nfs/dbraw/zinc/86/76/19/386867619.db2.gz UPUSONIZBCMYSB-UHFFFAOYSA-N 0 2 247.342 2.541 20 0 BFADLN c1cc(O[C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc[nH+]1 ZINC000334978597 387064529 /nfs/dbraw/zinc/06/45/29/387064529.db2.gz NFFOEFNPYGFHES-UKRRQHHQSA-N 0 2 244.338 2.643 20 0 BFADLN Cc1cc(=NC(=O)[C@H](C)CC(C)(C)C)[nH]nc1C ZINC000361854452 387544990 /nfs/dbraw/zinc/54/49/90/387544990.db2.gz SNHNNZJKEVLSOH-SNVBAGLBSA-N 0 2 249.358 2.526 20 0 BFADLN CC[C@H](CCc1ccccc1)N=c1[nH]ncs1 ZINC000528126528 387861281 /nfs/dbraw/zinc/86/12/81/387861281.db2.gz OARPRGMVVXOYDU-GFCCVEGCSA-N 0 2 247.367 2.783 20 0 BFADLN CC(C)(C)c1nc(=N[C@H]2CC[C@@H](F)C2)s[nH]1 ZINC000336662528 388260344 /nfs/dbraw/zinc/26/03/44/388260344.db2.gz KLXNQVYROUYPCU-SFYZADRCSA-N 0 2 243.351 2.560 20 0 BFADLN CC(C)(C)c1nsc(N[C@H]2CC[C@@H](F)C2)n1 ZINC000336662528 388260347 /nfs/dbraw/zinc/26/03/47/388260347.db2.gz KLXNQVYROUYPCU-SFYZADRCSA-N 0 2 243.351 2.560 20 0 BFADLN C[C@@H](CCC(C)(C)C)N=c1[nH]ncs1 ZINC000336676079 388462919 /nfs/dbraw/zinc/46/29/19/388462919.db2.gz CBHITFYKMJMKBZ-QMMMGPOBSA-N 0 2 213.350 2.587 20 0 BFADLN C[C@@H]1CC[C@@H]1Nc1nc(-c2ccccc2)ns1 ZINC000553319087 388763642 /nfs/dbraw/zinc/76/36/42/388763642.db2.gz RDKFYRXZZBSQMQ-KOLCDFICSA-N 0 2 245.351 2.837 20 0 BFADLN CC[C@H]1CCCCN1c1cccc(C(=O)[O-])[nH+]1 ZINC000051042591 132229132 /nfs/dbraw/zinc/22/91/32/132229132.db2.gz NOORHBLFPWBRLE-JTQLQIEISA-N 0 2 234.299 2.549 20 0 BFADLN C=CCC(C)(C)CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000383890391 398050028 /nfs/dbraw/zinc/05/00/28/398050028.db2.gz URHBXNXAEJRBIX-UHFFFAOYSA-N 0 2 234.299 2.794 20 0 BFADLN CCc1ccc(N2N=C(C)[C@@H](C)C2=O)cc1 ZINC000308028185 397981948 /nfs/dbraw/zinc/98/19/48/397981948.db2.gz YXJIQUVHOYHEGF-SECBINFHSA-N 0 2 216.284 2.608 20 0 BFADLN CC(C)Oc1ccc([NH2+][C@@H](C)CC(=O)[O-])cc1 ZINC000035748743 167297244 /nfs/dbraw/zinc/29/72/44/167297244.db2.gz BTIPFBFCDQAJFL-JTQLQIEISA-N 0 2 237.299 2.749 20 0 BFADLN O=C([O-])c1ccc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000662886741 409965783 /nfs/dbraw/zinc/96/57/83/409965783.db2.gz LXFNQYSDBVNCMW-SCVCMEIPSA-N 0 2 246.310 2.628 20 0 BFADLN C[C@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)CC(C)(C)C1 ZINC000650767988 410416180 /nfs/dbraw/zinc/41/61/80/410416180.db2.gz KGSYRPFBLIPNEI-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN CC[C@@]1(C)CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767397 410417297 /nfs/dbraw/zinc/41/72/97/410417297.db2.gz TVDIMCIEZPFFSU-AWEZNQCLSA-N 0 2 248.326 2.796 20 0 BFADLN CC1=NN(c2cc(C)cc(C)c2)C(=O)[C@H]1C ZINC000103294706 410889388 /nfs/dbraw/zinc/88/93/88/410889388.db2.gz WWRUKUPGPXVGCY-JTQLQIEISA-N 0 2 216.284 2.662 20 0 BFADLN CCC1=NN(c2ccc(F)cc2F)C(=O)[C@@H]1C ZINC000104159131 410925467 /nfs/dbraw/zinc/92/54/67/410925467.db2.gz BBLVTMVHHQEUSN-SSDOTTSWSA-N 0 2 238.237 2.714 20 0 BFADLN CCC1=NN(C2CCCCCC2)C(=O)C1 ZINC000104169312 410925652 /nfs/dbraw/zinc/92/56/52/410925652.db2.gz PRVSTJAKMMVUTM-UHFFFAOYSA-N 0 2 208.305 2.708 20 0 BFADLN CCC(CC)n1[nH]c(-c2ccccc2)cc1=O ZINC000104173112 410926778 /nfs/dbraw/zinc/92/67/78/410926778.db2.gz WTYNMGOGTZIFJI-UHFFFAOYSA-N 0 2 230.311 2.812 20 0 BFADLN C=CCCC[C@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000398190940 410946679 /nfs/dbraw/zinc/94/66/79/410946679.db2.gz WXMXBLBBBFQSRO-JTQLQIEISA-N 0 2 234.299 2.937 20 0 BFADLN CC(C)(C)c1nc(=NC2CC3(CCC3)C2)[nH]o1 ZINC000651473397 411054116 /nfs/dbraw/zinc/05/41/16/411054116.db2.gz MAAWDYFLJKOMOU-UHFFFAOYSA-N 0 2 235.331 2.534 20 0 BFADLN CC(C)c1nsc(NC2CC3(CCC3)C2)n1 ZINC000651473228 411056082 /nfs/dbraw/zinc/05/60/82/411056082.db2.gz DECFAGBHWRRBNA-UHFFFAOYSA-N 0 2 237.372 2.828 20 0 BFADLN C1CC1c1nsc(NC2CC3(CCC3)C2)n1 ZINC000651473617 411056126 /nfs/dbraw/zinc/05/61/26/411056126.db2.gz WAIKRYWEIMUHKM-UHFFFAOYSA-N 0 2 235.356 2.582 20 0 BFADLN CCC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1C ZINC000110454723 411098943 /nfs/dbraw/zinc/09/89/43/411098943.db2.gz MMXVRIKBYREDHJ-MRVPVSSYSA-N 0 2 220.247 2.574 20 0 BFADLN Cc1cccc(-c2nc(=O)c3sccc3[nH]2)n1 ZINC000048622995 411206497 /nfs/dbraw/zinc/20/64/97/411206497.db2.gz KYRVVCODLBQZCW-UHFFFAOYSA-N 0 2 243.291 2.767 20 0 BFADLN CC(C)CCCNc1[nH+]cccc1C(=O)[O-] ZINC000063245301 411349961 /nfs/dbraw/zinc/34/99/61/411349961.db2.gz ZDPDTQNEIDEONW-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN CC1(CCN=c2nc(-c3ccccc3)o[nH]2)CC1 ZINC000359839219 168017366 /nfs/dbraw/zinc/01/73/66/168017366.db2.gz ASPJAUWJUSJMQO-UHFFFAOYSA-N 0 2 243.310 2.761 20 0 BFADLN CC1(CNc2nc(-c3ccccc3)ns2)CC1 ZINC000355570348 168028619 /nfs/dbraw/zinc/02/86/19/168028619.db2.gz AYEORRTWHPHKBU-UHFFFAOYSA-N 0 2 245.351 2.839 20 0 BFADLN C[C@H](SCc1cnn[nH]1)c1ccc(F)cc1 ZINC000450821966 411392144 /nfs/dbraw/zinc/39/21/44/411392144.db2.gz APYBAOMPENIFHR-QMMMGPOBSA-N 0 2 237.303 2.938 20 0 BFADLN CC1=NN(c2ccc(Cl)c(F)c2)C(=O)[C@@H]1C ZINC000118305151 411394910 /nfs/dbraw/zinc/39/49/10/411394910.db2.gz DWRVCHHQJYOFJU-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN CC(C)C[C@@H]1CCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000307801978 411484887 /nfs/dbraw/zinc/48/48/87/411484887.db2.gz CFIYHTLIZAWYEQ-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN CC[C@H](C)[C@@H](C)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051043680 171367362 /nfs/dbraw/zinc/36/73/62/171367362.db2.gz GIHSXCLXFJLXAR-DTWKUNHWSA-N 0 2 222.288 2.626 20 0 BFADLN CC[C@H](C)CCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000662883600 412334332 /nfs/dbraw/zinc/33/43/32/412334332.db2.gz NEHHMBRARQHBLT-VIFPVBQESA-N 0 2 222.288 2.628 20 0 BFADLN CN(Cc1ccsc1)C(=O)C1CCC1 ZINC000064553854 172908539 /nfs/dbraw/zinc/90/85/39/172908539.db2.gz HKACXTQVLDIBOM-UHFFFAOYSA-N 0 2 209.314 2.507 20 0 BFADLN CN(Cc1ccon1)c1ccc(F)c(F)c1 ZINC000122905349 172908903 /nfs/dbraw/zinc/90/89/03/172908903.db2.gz YARYLAPGONQULU-UHFFFAOYSA-N 0 2 224.210 2.589 20 0 BFADLN CCCC1=NN(Cc2ccccc2)C(=O)C1 ZINC000100866170 487648403 /nfs/dbraw/zinc/64/84/03/487648403.db2.gz ZEDWVLCXTATXFJ-UHFFFAOYSA-N 0 2 216.284 2.575 20 0 BFADLN CCCC[C@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000812381385 586574975 /nfs/dbraw/zinc/57/49/75/586574975.db2.gz RMUZROKDFCQRIJ-YUMQZZPRSA-N 0 2 243.244 2.924 20 0 BFADLN CCC1=NN(CCCc2ccccc2)C(=O)C1 ZINC000109351625 487862336 /nfs/dbraw/zinc/86/23/36/487862336.db2.gz IKTPOUQCVDGWGQ-UHFFFAOYSA-N 0 2 230.311 2.618 20 0 BFADLN CC[C@H]1CCC[C@@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000544700749 325155480 /nfs/dbraw/zinc/15/54/80/325155480.db2.gz FIDUYLLVJCLXAI-UWVGGRQHSA-N 0 2 237.347 2.780 20 0 BFADLN C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H](C)C1 ZINC000667694838 488090508 /nfs/dbraw/zinc/09/05/08/488090508.db2.gz AGRAVXBSQOMCBE-QWHCGFSZSA-N 0 2 247.386 2.697 20 0 BFADLN CC(C)[C@@H](Nc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000324012059 487488883 /nfs/dbraw/zinc/48/88/83/487488883.db2.gz JGJZTNPRGDNUSG-GFCCVEGCSA-N 0 2 234.299 2.626 20 0 BFADLN CC(C)[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)C1CC1 ZINC000324016838 487490412 /nfs/dbraw/zinc/49/04/12/487490412.db2.gz KUQYOVWMGLQZSI-LBPRGKRZSA-N 0 2 234.299 2.626 20 0 BFADLN Cc1cc[nH+]c(NCCCCC(=O)[O-])c1Cl ZINC000668161608 487856575 /nfs/dbraw/zinc/85/65/75/487856575.db2.gz UKEJETXDPNFTSZ-UHFFFAOYSA-N 0 2 242.706 2.710 20 0 BFADLN C[C@H]1CCC[C@@H]1CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000230688702 488137952 /nfs/dbraw/zinc/13/79/52/488137952.db2.gz YNURZJASLKMRTA-VHSXEESVSA-N 0 2 234.299 2.628 20 0 BFADLN CC(C)[N@H+](CC(=O)[O-])Cc1ccsc1Cl ZINC000263158902 535039529 /nfs/dbraw/zinc/03/95/29/535039529.db2.gz ONSJKMBGEHHWAJ-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN CC(C)[N@@H+](CC(=O)[O-])Cc1ccsc1Cl ZINC000263158902 535039536 /nfs/dbraw/zinc/03/95/36/535039536.db2.gz ONSJKMBGEHHWAJ-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN CC(C)CCSCC(=O)NOCC1CCC1 ZINC000856346497 588868647 /nfs/dbraw/zinc/86/86/47/588868647.db2.gz CDMUVERSOBBVBP-UHFFFAOYSA-N 0 2 245.388 2.614 20 0 BFADLN CC[C@@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000893961280 583256470 /nfs/dbraw/zinc/25/64/70/583256470.db2.gz DOXVYULSNVKFQW-GFCCVEGCSA-N 0 2 221.348 2.649 20 0 BFADLN CCC1=NN(c2ccc(F)c(F)c2)C(=O)[C@H]1C ZINC000899360734 584206724 /nfs/dbraw/zinc/20/67/24/584206724.db2.gz OPRYELUJHNBPPI-ZETCQYMHSA-N 0 2 238.237 2.714 20 0 BFADLN CC1=NN(c2ccc(Cl)cc2F)C(=O)[C@@H]1C ZINC000899359896 584206973 /nfs/dbraw/zinc/20/69/73/584206973.db2.gz CBFSHMSEUJTUCO-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN C[C@@H]([NH2+]c1ccc(OCC(=O)[O-])cc1)C1CCC1 ZINC000901720157 584483631 /nfs/dbraw/zinc/48/36/31/584483631.db2.gz OZZVHLBEDXXOJK-SNVBAGLBSA-N 0 2 249.310 2.751 20 0 BFADLN CC[C@@H]([NH2+]c1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC000901716947 584487855 /nfs/dbraw/zinc/48/78/55/584487855.db2.gz LRAAAGQSBRBMRC-CYBMUJFWSA-N 0 2 249.310 2.751 20 0 BFADLN CC1(C)CC([NH2+]c2ccc(OCC(=O)[O-])cc2)C1 ZINC000901716499 584487888 /nfs/dbraw/zinc/48/78/88/584487888.db2.gz HFTYYRVUQACQFJ-UHFFFAOYSA-N 0 2 249.310 2.751 20 0 BFADLN Cc1ccc([NH2+]CC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000901718455 584488231 /nfs/dbraw/zinc/48/82/31/584488231.db2.gz RISZVZWFCHIKAG-LLVKDONJSA-N 0 2 249.310 2.532 20 0 BFADLN C[C@H]1CCC[C@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901718050 584488450 /nfs/dbraw/zinc/48/84/50/584488450.db2.gz YERIUVSINHRJPC-GXFFZTMASA-N 0 2 249.310 2.751 20 0 BFADLN COc1ccc(C)cc1[NH2+]C1CC(C)(C(=O)[O-])C1 ZINC000902056963 584518801 /nfs/dbraw/zinc/51/88/01/584518801.db2.gz RWHABOKQJXPJBD-UHFFFAOYSA-N 0 2 249.310 2.669 20 0 BFADLN CC1(C[NH2+]c2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000904011703 584837631 /nfs/dbraw/zinc/83/76/31/584837631.db2.gz GTMQNOUFELBFLW-UHFFFAOYSA-N 0 2 249.310 2.752 20 0 BFADLN CC(C)CON=c1nc(CC(C)C)[nH]s1 ZINC000788075401 584990976 /nfs/dbraw/zinc/99/09/76/584990976.db2.gz ILLJDDLWAHSQIS-UHFFFAOYSA-N 0 2 229.349 2.736 20 0 BFADLN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H](F)C(F)(F)F ZINC000788134957 585094309 /nfs/dbraw/zinc/09/43/09/585094309.db2.gz WZJUUTWRBDHUIF-PRJMDXOYSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCC[C@@H](C)N1C(=O)C(F)C(F)(F)F ZINC000788134957 585094310 /nfs/dbraw/zinc/09/43/10/585094310.db2.gz WZJUUTWRBDHUIF-PRJMDXOYSA-N 0 2 241.228 2.676 20 0 BFADLN CCN(C(=O)c1c(O)cc(F)cc1F)C(C)C ZINC000744326593 585148312 /nfs/dbraw/zinc/14/83/12/585148312.db2.gz QQVMIGRAKKTJNA-UHFFFAOYSA-N 0 2 243.253 2.541 20 0 BFADLN CC(C)CC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000764075660 585459113 /nfs/dbraw/zinc/45/91/13/585459113.db2.gz NGBZAJCSXDEVGM-YUMQZZPRSA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)CC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000764075660 585459114 /nfs/dbraw/zinc/45/91/14/585459114.db2.gz NGBZAJCSXDEVGM-YUMQZZPRSA-N 0 2 243.244 2.828 20 0 BFADLN CCCCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000764148933 585461057 /nfs/dbraw/zinc/46/10/57/585461057.db2.gz GRABUAZDVQXIAV-JGVFFNPUSA-N 0 2 243.244 2.972 20 0 BFADLN CCCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000764148933 585461058 /nfs/dbraw/zinc/46/10/58/585461058.db2.gz GRABUAZDVQXIAV-JGVFFNPUSA-N 0 2 243.244 2.972 20 0 BFADLN CCN(C(=O)[C@H](F)C(F)(F)F)C1CCCC1 ZINC000764336424 585463738 /nfs/dbraw/zinc/46/37/38/585463738.db2.gz OJSWRZSNUDPLOI-QMMMGPOBSA-N 0 2 241.228 2.678 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)C1CCCC1 ZINC000764336424 585463739 /nfs/dbraw/zinc/46/37/39/585463739.db2.gz OJSWRZSNUDPLOI-QMMMGPOBSA-N 0 2 241.228 2.678 20 0 BFADLN CCC(CC)(CC)NC(=O)[C@@H](F)C(F)(F)F ZINC000764575263 585467979 /nfs/dbraw/zinc/46/79/79/585467979.db2.gz QIMKOMLPHUUDCL-SSDOTTSWSA-N 0 2 243.244 2.972 20 0 BFADLN CCC(CC)(CC)NC(=O)C(F)C(F)(F)F ZINC000764575263 585467980 /nfs/dbraw/zinc/46/79/80/585467980.db2.gz QIMKOMLPHUUDCL-SSDOTTSWSA-N 0 2 243.244 2.972 20 0 BFADLN CC(C)CCNC(=O)c1cccc(Cl)c1O ZINC000775638742 585682074 /nfs/dbraw/zinc/68/20/74/585682074.db2.gz GZVSCKCXDUPIHL-UHFFFAOYSA-N 0 2 241.718 2.822 20 0 BFADLN CCN(C(=O)c1cccc(Cl)c1O)C1CC1 ZINC000775654194 585682348 /nfs/dbraw/zinc/68/23/48/585682348.db2.gz UTQKDCPPQIITAN-UHFFFAOYSA-N 0 2 239.702 2.670 20 0 BFADLN CC(C)=CCOC(=O)c1cc(F)c(O)c(F)c1 ZINC000808523296 586477360 /nfs/dbraw/zinc/47/73/60/586477360.db2.gz OWQGHSIUFDBYNM-UHFFFAOYSA-N 0 2 242.221 2.793 20 0 BFADLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1CCCC1 ZINC000810402914 586538908 /nfs/dbraw/zinc/53/89/08/586538908.db2.gz JJAWWQSXNMIQDU-SVRRBLITSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](NC(=O)C(F)C(F)(F)F)C1CCCC1 ZINC000810402914 586538909 /nfs/dbraw/zinc/53/89/09/586538909.db2.gz JJAWWQSXNMIQDU-SVRRBLITSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810395486 586538912 /nfs/dbraw/zinc/53/89/12/586538912.db2.gz CQUSUKYIWYKKKQ-SSDOTTSWSA-N 0 2 241.228 2.535 20 0 BFADLN CC1(C)CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000810395486 586538913 /nfs/dbraw/zinc/53/89/13/586538913.db2.gz CQUSUKYIWYKKKQ-SSDOTTSWSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1C ZINC000810436849 586538921 /nfs/dbraw/zinc/53/89/21/586538921.db2.gz NJAGTQPEXSMFEK-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)[C@@H]1C ZINC000810436849 586538922 /nfs/dbraw/zinc/53/89/22/586538922.db2.gz NJAGTQPEXSMFEK-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000810445920 586539324 /nfs/dbraw/zinc/53/93/24/586539324.db2.gz MPMFECMZZACBRD-BIIVOSGPSA-N 0 2 243.244 2.828 20 0 BFADLN CC[C@H](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000810445920 586539325 /nfs/dbraw/zinc/53/93/25/586539325.db2.gz MPMFECMZZACBRD-BIIVOSGPSA-N 0 2 243.244 2.828 20 0 BFADLN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810460271 586539606 /nfs/dbraw/zinc/53/96/06/586539606.db2.gz VUJRXGLORAMSIN-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CC[C@@H](C)N(C(=O)C(F)C(F)(F)F)C1 ZINC000810460271 586539607 /nfs/dbraw/zinc/53/96/07/586539607.db2.gz VUJRXGLORAMSIN-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CCCC[C@H](C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000812381385 586574974 /nfs/dbraw/zinc/57/49/74/586574974.db2.gz RMUZROKDFCQRIJ-YUMQZZPRSA-N 0 2 243.244 2.924 20 0 BFADLN Cc1cccc(C2(C(=O)NOC3CCC3)CC2)c1 ZINC000812788666 586584518 /nfs/dbraw/zinc/58/45/18/586584518.db2.gz UWGXYZLPVXHZMF-UHFFFAOYSA-N 0 2 245.322 2.627 20 0 BFADLN CCCc1nc(=NOC[C@@H](C)CC)s[nH]1 ZINC000813621939 586604722 /nfs/dbraw/zinc/60/47/22/586604722.db2.gz IYWIVYBHRDWVIP-QMMMGPOBSA-N 0 2 229.349 2.880 20 0 BFADLN Cc1cc([NH2+][C@H](C)C(=O)[O-])ccc1OC(C)C ZINC000818849361 586914545 /nfs/dbraw/zinc/91/45/45/586914545.db2.gz ZSOMXJIAGBAQFL-SNVBAGLBSA-N 0 2 237.299 2.667 20 0 BFADLN C[C@@H](SCc1cnn[nH]1)c1cccs1 ZINC000829212375 587488477 /nfs/dbraw/zinc/48/84/77/587488477.db2.gz FIWLMQCFGQGSDE-SSDOTTSWSA-N 0 2 225.342 2.861 20 0 BFADLN CC(C)(NC(=O)[C@H](F)C(F)(F)F)C1CCC1 ZINC000836847484 587839504 /nfs/dbraw/zinc/83/95/04/587839504.db2.gz PBAAHCWXDIGZFG-ZETCQYMHSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)(NC(=O)C(F)C(F)(F)F)C1CCC1 ZINC000836847484 587839505 /nfs/dbraw/zinc/83/95/05/587839505.db2.gz PBAAHCWXDIGZFG-ZETCQYMHSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](CC(C)(C)C)NC(=O)[C@H](F)C(F)(F)F ZINC000837230805 587860872 /nfs/dbraw/zinc/86/08/72/587860872.db2.gz PKGMVZWCAWXDMH-BQBZGAKWSA-N 0 2 243.244 2.828 20 0 BFADLN C[C@@H](CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC000837230805 587860873 /nfs/dbraw/zinc/86/08/73/587860873.db2.gz PKGMVZWCAWXDMH-BQBZGAKWSA-N 0 2 243.244 2.828 20 0 BFADLN CCCONC(=O)C1(c2ccccc2)CCCC1 ZINC000844082869 588162071 /nfs/dbraw/zinc/16/20/71/588162071.db2.gz IHVOEHNEONTMJZ-UHFFFAOYSA-N 0 2 247.338 2.956 20 0 BFADLN C[C@@H](CC1CCC1)NC(=O)[C@H](F)C(F)(F)F ZINC000871091601 589722759 /nfs/dbraw/zinc/72/27/59/589722759.db2.gz ZQRWKKQZPKNMHG-XPUUQOCRSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](CC1CCC1)NC(=O)C(F)C(F)(F)F ZINC000871091601 589722761 /nfs/dbraw/zinc/72/27/61/589722761.db2.gz ZQRWKKQZPKNMHG-XPUUQOCRSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](CC1CCC1)NC(=O)[C@@H](F)C(F)(F)F ZINC000871091598 589723625 /nfs/dbraw/zinc/72/36/25/589723625.db2.gz ZQRWKKQZPKNMHG-HTRCEHHLSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](CC1CCC1)NC(=O)C(F)C(F)(F)F ZINC000871091598 589723628 /nfs/dbraw/zinc/72/36/28/589723628.db2.gz ZQRWKKQZPKNMHG-HTRCEHHLSA-N 0 2 241.228 2.582 20 0 BFADLN O=C1CC(C2CCCC2)=NN1c1cccc(F)n1 ZINC000871952564 589841572 /nfs/dbraw/zinc/84/15/72/589841572.db2.gz GYCWVNRLATZDRN-UHFFFAOYSA-N 0 2 247.273 2.504 20 0 BFADLN O=c1cc(C2CCCC2)[nH]n1-c1cccc(F)n1 ZINC000871952564 589841575 /nfs/dbraw/zinc/84/15/75/589841575.db2.gz GYCWVNRLATZDRN-UHFFFAOYSA-N 0 2 247.273 2.504 20 0 BFADLN CC(C)CCC1=NN(c2cccc(F)n2)C(=O)C1 ZINC000871953063 589841592 /nfs/dbraw/zinc/84/15/92/589841592.db2.gz ZOPXUKOPXYYCAI-UHFFFAOYSA-N 0 2 249.289 2.750 20 0 BFADLN CC(C)CCc1cc(=O)n(-c2cccc(F)n2)[nH]1 ZINC000871953063 589841595 /nfs/dbraw/zinc/84/15/95/589841595.db2.gz ZOPXUKOPXYYCAI-UHFFFAOYSA-N 0 2 249.289 2.750 20 0 BFADLN CCCCC1=NN(c2ncccc2C)C(=O)[C@H]1C ZINC000871956564 589843409 /nfs/dbraw/zinc/84/34/09/589843409.db2.gz WJISYWOVWPDBDU-NSHDSACASA-N 0 2 245.326 2.919 20 0 BFADLN Cc1cccnc1N1N=C(C2CCCC2)CC1=O ZINC000871956055 589843674 /nfs/dbraw/zinc/84/36/74/589843674.db2.gz HQHLYHGLUTTWLG-UHFFFAOYSA-N 0 2 243.310 2.673 20 0 BFADLN Cc1cccnc1-n1[nH]c(C2CCCC2)cc1=O ZINC000871956055 589843675 /nfs/dbraw/zinc/84/36/75/589843675.db2.gz HQHLYHGLUTTWLG-UHFFFAOYSA-N 0 2 243.310 2.673 20 0 BFADLN CC(C)(/C=C/Cl)NC(=O)C(F)C(F)(F)F ZINC000928928923 636523846 /nfs/dbraw/zinc/52/38/46/636523846.db2.gz HWGYZVQFDZGCET-QLSVQJPWSA-N 0 2 247.619 2.534 20 0 BFADLN CC(C)(/C=C/Cl)NC(=O)[C@@H](F)C(F)(F)F ZINC000928928923 636523850 /nfs/dbraw/zinc/52/38/50/636523850.db2.gz HWGYZVQFDZGCET-QLSVQJPWSA-N 0 2 247.619 2.534 20 0 BFADLN CCCCC[C@H](Nc1cccc[nH+]1)C(=O)[O-] ZINC000910435774 639448829 /nfs/dbraw/zinc/44/88/29/639448829.db2.gz UJRCUVHDOVMZCG-JTQLQIEISA-N 0 2 222.288 2.527 20 0 BFADLN O=C([O-])[C@@H](CNc1cccc[nH+]1)C1CCCCC1 ZINC000910479620 639466973 /nfs/dbraw/zinc/46/69/73/639466973.db2.gz WXRZEFYKEZZVJV-LBPRGKRZSA-N 0 2 248.326 2.775 20 0 BFADLN Cc1n[nH]c(NC(=O)[C@]2(C)CCC(C)=C(C)C2)n1 ZINC000931905697 640387934 /nfs/dbraw/zinc/38/79/34/640387934.db2.gz OFGKHRIRHPIYKV-CYBMUJFWSA-N 0 2 248.330 2.578 20 0 BFADLN Cc1ccccc1C1(C(=O)NOCC(C)C)CC1 ZINC000156552127 640463855 /nfs/dbraw/zinc/46/38/55/640463855.db2.gz ATOBICLYEVNLIZ-UHFFFAOYSA-N 0 2 247.338 2.730 20 0 BFADLN O=C([O-])c1ccc[nH+]c1N1CCC2(CCCC2)C1 ZINC000385403802 711012552 /nfs/dbraw/zinc/01/25/52/711012552.db2.gz NZEBWLBNSKKWIC-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN CC(C)OC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC001193449208 981320210 /nfs/dbraw/zinc/32/02/10/981320210.db2.gz COJAXCWAYBCNSU-UHFFFAOYSA-N 0 2 243.332 2.793 20 0 BFADLN CC(C)COC(=O)Nc1ccc(F)c(F)c1O ZINC001193840492 981450919 /nfs/dbraw/zinc/45/09/19/981450919.db2.gz IEYIVFMDYYEHEW-UHFFFAOYSA-N 0 2 245.225 2.875 20 0 BFADLN COc1cnnc(-c2cccc(Cl)c2O)c1 ZINC001242362998 983652415 /nfs/dbraw/zinc/65/24/15/983652415.db2.gz TZCVJONSCPOMRD-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN O=C([O-])c1ccc(N2CCCCCCCC2)[nH+]c1 ZINC000321773312 970805655 /nfs/dbraw/zinc/80/56/55/970805655.db2.gz QETAILFQJGYBKU-UHFFFAOYSA-N 0 2 248.326 2.940 20 0 BFADLN COc1cncc(Nc2nnc(C(C)C)o2)c1C ZINC001215730256 970817329 /nfs/dbraw/zinc/81/73/29/970817329.db2.gz IIVORDQKUNCEHG-UHFFFAOYSA-N 0 2 248.286 2.649 20 0 BFADLN Cc1cccc([C@@H]([NH2+]Cc2ccco2)C(=O)[O-])c1 ZINC000212094749 949530244 /nfs/dbraw/zinc/53/02/44/949530244.db2.gz GYFOONSVXGEMHG-CYBMUJFWSA-N 0 2 245.278 2.504 20 0 BFADLN Cc1cccc([C@H]([NH2+]Cc2ccco2)C(=O)[O-])c1 ZINC000212094669 949530643 /nfs/dbraw/zinc/53/06/43/949530643.db2.gz GYFOONSVXGEMHG-ZDUSSCGKSA-N 0 2 245.278 2.504 20 0 BFADLN Cc1ccc(CNc2ccc(C(=O)[O-])c[nH+]2)cc1 ZINC000019845219 957123554 /nfs/dbraw/zinc/12/35/54/957123554.db2.gz CRYQWSKQNQZQSP-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN COc1cc[nH+]cc1Nc1ccccc1C(=O)[O-] ZINC001210970173 957965896 /nfs/dbraw/zinc/96/58/96/957965896.db2.gz VEJZHSJGOQNIHO-UHFFFAOYSA-N 0 2 244.250 2.532 20 0 BFADLN COc1cc[nH+]c(Nc2ccccc2C(=O)[O-])c1 ZINC001210970218 957967594 /nfs/dbraw/zinc/96/75/94/957967594.db2.gz WJQBQQPZLGTJEQ-UHFFFAOYSA-N 0 2 244.250 2.532 20 0 BFADLN O=C(Cc1ccc(S)cc1)N1C2CCC1CC2 ZINC000398855212 958407764 /nfs/dbraw/zinc/40/77/64/958407764.db2.gz UAHAPYKPTAWSFN-UHFFFAOYSA-N 0 2 247.363 2.671 20 0 BFADLN Cc1ccccc1[C@@H]([NH2+]Cc1ccco1)C(=O)[O-] ZINC000212124539 959709350 /nfs/dbraw/zinc/70/93/50/959709350.db2.gz JXQJIZWDMMJWNB-CYBMUJFWSA-N 0 2 245.278 2.504 20 0 BFADLN Cc1ccnc(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001250455435 967880718 /nfs/dbraw/zinc/88/07/18/967880718.db2.gz JNAJDDJNSAMGIG-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1cnc(-c2c(F)ccc(C)c2O)nc1 ZINC001250496373 967975011 /nfs/dbraw/zinc/97/50/11/967975011.db2.gz MBBNYYALPXLQIW-UHFFFAOYSA-N 0 2 218.231 2.605 20 0 BFADLN O=C([O-])c1cc(-c2ccc3[nH+]ccn3c2)cs1 ZINC001206279069 968193447 /nfs/dbraw/zinc/19/34/47/968193447.db2.gz PKHRPVLKZDKBAG-UHFFFAOYSA-N 0 2 244.275 2.761 20 0 BFADLN CNc1cc(-c2csc(C(=O)[O-])c2)cc[nH+]1 ZINC001206298712 968204674 /nfs/dbraw/zinc/20/46/74/968204674.db2.gz NRACRUZAEPTZTH-UHFFFAOYSA-N 0 2 234.280 2.550 20 0 BFADLN Cc1nonc1Nc1cc(F)cc(F)c1F ZINC001206382754 968272871 /nfs/dbraw/zinc/27/28/71/968272871.db2.gz GYQILRBFXKPZEZ-UHFFFAOYSA-N 0 2 229.161 2.539 20 0 BFADLN Oc1c(Cl)cccc1-c1nnc(C2CC2)o1 ZINC001254049524 969461806 /nfs/dbraw/zinc/46/18/06/969461806.db2.gz ZDEAZDAUZDWXIE-UHFFFAOYSA-N 0 2 236.658 2.973 20 0 BFADLN COc1cc(Nc2c[nH+]cc(N)c2)ccc1[S-] ZINC001210442252 969888838 /nfs/dbraw/zinc/88/88/38/969888838.db2.gz HNYZMRDTIZHBBB-UHFFFAOYSA-N 0 2 247.323 2.705 20 0 BFADLN CSc1ccc(Nc2nnco2)c(F)c1 ZINC001210868934 970057931 /nfs/dbraw/zinc/05/79/31/970057931.db2.gz PFNOFBXEYFHHHR-UHFFFAOYSA-N 0 2 225.248 2.674 20 0 BFADLN O=c1[nH]cccc1Nc1cccc(S)c1 ZINC001210945710 970080813 /nfs/dbraw/zinc/08/08/13/970080813.db2.gz RXMAFITXKHRNPA-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN O=c1ccc(Nc2cccc(S)c2)c[nH]1 ZINC001210945196 970080908 /nfs/dbraw/zinc/08/09/08/970080908.db2.gz GRCZYQNRYRHAQU-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN c1csc(Nc2snc3cccnc32)n1 ZINC001210990401 970101094 /nfs/dbraw/zinc/10/10/94/970101094.db2.gz PUSRLURTMIWSPU-UHFFFAOYSA-N 0 2 234.309 2.891 20 0 BFADLN Sc1cccc(-c2ccnc3[nH]cnc32)c1 ZINC001242867729 970120906 /nfs/dbraw/zinc/12/09/06/970120906.db2.gz UNNZBTPPIWBWLA-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN CC(C)(C)ONC(=O)[C@@]1(C)CCc2ccccc21 ZINC001328592628 973171433 /nfs/dbraw/zinc/17/14/33/973171433.db2.gz YOXZHPSLHOQIKK-HNNXBMFYSA-N 0 2 247.338 2.737 20 0 BFADLN CC[C@H](COc1ccc(S)cc1)OC ZINC001225555828 974550840 /nfs/dbraw/zinc/55/08/40/974550840.db2.gz QQIFDYSEVATRAC-SECBINFHSA-N 0 2 212.314 2.779 20 0 BFADLN CCCC[C@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225557189 974551148 /nfs/dbraw/zinc/55/11/48/974551148.db2.gz DKRCXXXTCNFZOX-ZETCQYMHSA-N 0 2 230.695 2.793 20 0 BFADLN C[C@@H]1CCC[C@H](Oc2nc(=O)[nH]cc2F)[C@@H]1C ZINC001225885968 974717997 /nfs/dbraw/zinc/71/79/97/974717997.db2.gz RLYFNKZLKMFUKS-MRTMQBJTSA-N 0 2 240.278 2.525 20 0 BFADLN CC[C@H](C)CC[C@H](C)Oc1nc(=O)[nH]cc1F ZINC001225886366 974718698 /nfs/dbraw/zinc/71/86/98/974718698.db2.gz WSBQKLJPMBGODS-IUCAKERBSA-N 0 2 242.294 2.915 20 0 BFADLN Cc1nocc1Nc1nc2c(s1)C(=O)CCC2 ZINC001212717494 975102663 /nfs/dbraw/zinc/10/26/63/975102663.db2.gz IEWXBBWHFXCTKB-UHFFFAOYSA-N 0 2 249.295 2.702 20 0 BFADLN CC[C@@H](C)[C@@H](C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228011219 975851864 /nfs/dbraw/zinc/85/18/64/975851864.db2.gz YISAAZCOIXJYLW-RKDXNWHRSA-N 0 2 247.298 2.544 20 0 BFADLN NC(=O)c1ccccc1Nc1ccc(S)cc1 ZINC001173982489 976122618 /nfs/dbraw/zinc/12/26/18/976122618.db2.gz QILOZGOTDMKQLP-UHFFFAOYSA-N 0 2 244.319 2.818 20 0 BFADLN Cc1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)n[nH]1 ZINC001337042684 978140512 /nfs/dbraw/zinc/14/05/12/978140512.db2.gz RFRDCZQQNKUYRB-HNNXBMFYSA-N 0 2 241.338 2.535 20 0 BFADLN Oc1c(Cl)ccc(CN2CCCO2)c1Cl ZINC001232624766 978202428 /nfs/dbraw/zinc/20/24/28/978202428.db2.gz WJRVCRKJRDUUPM-UHFFFAOYSA-N 0 2 248.109 2.836 20 0 BFADLN Cc1ccc(N2C[C@H](C)[C@@H](C)[C@H]2C)[nH+]c1C(=O)[O-] ZINC001600436051 978690892 /nfs/dbraw/zinc/69/08/92/978690892.db2.gz HVMCSZIRNQXHBR-HBNTYKKESA-N 0 2 248.326 2.569 20 0 BFADLN C=Cc1cnc(-c2c(F)ccc(C)c2O)nc1 ZINC001236391448 979576023 /nfs/dbraw/zinc/57/60/23/979576023.db2.gz OCLIFKXCMMRWIM-UHFFFAOYSA-N 0 2 230.242 2.940 20 0 BFADLN Cc1ccc(F)c(-c2ccc3[nH]nnc3c2)c1O ZINC001236405630 979583287 /nfs/dbraw/zinc/58/32/87/979583287.db2.gz YYJCEVCTKQUCFG-UHFFFAOYSA-N 0 2 243.241 2.778 20 0 BFADLN C[C@@H]1CC[C@H](CNc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604700407 979705170 /nfs/dbraw/zinc/70/51/70/979705170.db2.gz QBUZGRSIBPGTGJ-PWSUYJOCSA-N 0 2 248.326 2.557 20 0 BFADLN C[C@H]1CCC[C@@H](Nc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604717212 979709402 /nfs/dbraw/zinc/70/94/02/979709402.db2.gz QYSWHIKCRWAZQM-CMPLNLGQSA-N 0 2 248.326 2.699 20 0 BFADLN CC[C@@H](C)[C@H](C)Nc1cc(CC(=O)[O-])cc[nH+]1 ZINC001604932062 979771621 /nfs/dbraw/zinc/77/16/21/979771621.db2.gz UPWPHWPUZMXTTD-ZJUUUORDSA-N 0 2 236.315 2.555 20 0 BFADLN CCC[C@@H](C)Nc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001605208751 979838438 /nfs/dbraw/zinc/83/84/38/979838438.db2.gz XCLUAMOBTMNHMY-SECBINFHSA-N 0 2 222.288 2.689 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@@H](C)CC(C)C ZINC001607946599 980144062 /nfs/dbraw/zinc/14/40/62/980144062.db2.gz VWXSBYZPLSTGGZ-VIFPVBQESA-N 0 2 224.304 2.572 20 0 BFADLN CC[C@@]1(C)CCN(c2ccc(C)c(C(=O)[O-])[nH+]2)C1 ZINC001595371083 980846986 /nfs/dbraw/zinc/84/69/86/980846986.db2.gz OIXUHRZRTXNMDO-AWEZNQCLSA-N 0 2 248.326 2.715 20 0 BFADLN Cc1cc(O)ccc1-c1cc2nn[nH]c2cc1F ZINC001240643407 981537085 /nfs/dbraw/zinc/53/70/85/981537085.db2.gz FJMKPIJRVPIRTF-UHFFFAOYSA-N 0 2 243.241 2.778 20 0 BFADLN Cc1c[nH]c2nc(-c3cc(F)ccc3O)ncc12 ZINC001240693851 981602387 /nfs/dbraw/zinc/60/23/87/981602387.db2.gz JOEDNWWGDMJLBY-UHFFFAOYSA-N 0 2 243.241 2.730 20 0 BFADLN CNc1cc(-c2cc(C(=O)[O-])ccc2C)cc[nH+]1 ZINC001241003558 982090176 /nfs/dbraw/zinc/09/01/76/982090176.db2.gz UDMDMHPYLICMCC-UHFFFAOYSA-N 0 2 242.278 2.797 20 0 BFADLN CNc1cc(-c2ccc(F)c(C(=O)[O-])c2)cc[nH+]1 ZINC001241246662 982389742 /nfs/dbraw/zinc/38/97/42/982389742.db2.gz ALQSHJHMCPWKMD-UHFFFAOYSA-N 0 2 246.241 2.628 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(C(=O)[O-])c(Cl)c1 ZINC001241349507 982507496 /nfs/dbraw/zinc/50/74/96/982507496.db2.gz LYIVWCFOGUBQHC-YALUOGEHSA-N 0 2 237.686 2.914 20 0 BFADLN Oc1cc(F)ccc1-c1ncnc2ccoc21 ZINC001242216169 983413438 /nfs/dbraw/zinc/41/34/38/983413438.db2.gz OVRZHLRCQIYHIJ-UHFFFAOYSA-N 0 2 230.198 2.735 20 0 BFADLN CCCOc1nccnc1-c1ccc(F)cc1O ZINC001242217255 983416096 /nfs/dbraw/zinc/41/60/96/983416096.db2.gz MOKQHXXEBPYWSX-UHFFFAOYSA-N 0 2 248.257 2.777 20 0 BFADLN Oc1c(Cl)cccc1-c1ncnc2c1CCC2 ZINC001242362449 983648867 /nfs/dbraw/zinc/64/88/67/983648867.db2.gz HLBNIFFZAULKGR-UHFFFAOYSA-N 0 2 246.697 2.991 20 0 BFADLN Oc1c(Cl)cccc1-c1ncnc2[nH]ccc21 ZINC001242362218 983650607 /nfs/dbraw/zinc/65/06/07/983650607.db2.gz DOYRIYYMGILAMG-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Cc1nccc(-c2cccc(Cl)c2O)n1 ZINC001242363222 983654460 /nfs/dbraw/zinc/65/44/60/983654460.db2.gz XZQIUAXUWQIIDC-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN O=c1cccc(Nc2ccc(S)cc2)[nH]1 ZINC001212791493 984039196 /nfs/dbraw/zinc/03/91/96/984039196.db2.gz OTXGYUWDTJWNOF-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN Sc1cccc(-c2ncnc3cc[nH]c32)c1 ZINC001242865447 984210650 /nfs/dbraw/zinc/21/06/50/984210650.db2.gz GDHZDZZEPGRSHA-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Cn1cnc2ccc(-c3cccc(S)c3)nc21 ZINC001242866292 984212667 /nfs/dbraw/zinc/21/26/67/984212667.db2.gz RTWUBAWGDNTURW-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Nc1[nH+]cccc1-c1cc(F)ccc1[S-] ZINC001243476835 985039366 /nfs/dbraw/zinc/03/93/66/985039366.db2.gz FCZHJWQOVBEYJB-UHFFFAOYSA-N 0 2 220.272 2.759 20 0 BFADLN Cc1cc(C)c(-c2cc(F)cc(F)c2O)nn1 ZINC001243499733 985052635 /nfs/dbraw/zinc/05/26/35/985052635.db2.gz DIQFRVDZWXWSTQ-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(C(=O)[O-])c(F)c1F ZINC001243513058 985064977 /nfs/dbraw/zinc/06/49/77/985064977.db2.gz DIIPPFVCRWRIBK-YPCIICBESA-N 0 2 239.221 2.539 20 0 BFADLN Cn1ccc(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001244499813 986211930 /nfs/dbraw/zinc/21/19/30/986211930.db2.gz KERRXXBFCXYCOF-UHFFFAOYSA-N 0 2 226.638 2.585 20 0 BFADLN Cc1nc(-c2cc(Cl)ccc2O)ncc1F ZINC001245048916 986603962 /nfs/dbraw/zinc/60/39/62/986603962.db2.gz IFTSLOOXDFBOOX-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Oc1ccc(Cl)cc1-c1ncc2c(n1)CCC2 ZINC001245048468 986606989 /nfs/dbraw/zinc/60/69/89/986606989.db2.gz AWOXNTOABIGCLB-UHFFFAOYSA-N 0 2 246.697 2.991 20 0 BFADLN O=c1occcc1-c1cc(Cl)c(O)cc1F ZINC001245672733 987052905 /nfs/dbraw/zinc/05/29/05/987052905.db2.gz ZUZWGJSZLWJMID-UHFFFAOYSA-N 0 2 240.617 2.805 20 0 BFADLN Cc1cncc(-c2cc(Cl)c(O)cc2F)n1 ZINC001245668621 987053151 /nfs/dbraw/zinc/05/31/51/987053151.db2.gz XNNWAJRIHIDUJN-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1nccnc1-c1cc(Cl)c(O)cc1F ZINC001245668686 987055366 /nfs/dbraw/zinc/05/53/66/987055366.db2.gz WFIVPVIIIMWYFK-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CCn1[nH]c(-c2cccc(C)c2)cc1=O ZINC001245916983 987149604 /nfs/dbraw/zinc/14/96/04/987149604.db2.gz CUACNKXUDWTPJX-UHFFFAOYSA-N 0 2 202.257 2.584 20 0 BFADLN Cc1cccc(-c2cc(=O)n(C3CC3)[nH]2)c1 ZINC001245918390 987157579 /nfs/dbraw/zinc/15/75/79/987157579.db2.gz SVYGPBFQUFTIEU-UHFFFAOYSA-N 0 2 214.268 2.899 20 0 BFADLN O=C1CC(c2cccc(F)c2)=NN1C1CC1 ZINC001245919408 987158196 /nfs/dbraw/zinc/15/81/96/987158196.db2.gz BSSHHNHKEHLTKD-UHFFFAOYSA-N 0 2 218.231 2.730 20 0 BFADLN O=c1cc(-c2cccc(F)c2)[nH]n1C1CC1 ZINC001245919408 987158205 /nfs/dbraw/zinc/15/82/05/987158205.db2.gz BSSHHNHKEHLTKD-UHFFFAOYSA-N 0 2 218.231 2.730 20 0 BFADLN CC1=NN([C@H]2CCCc3ccccc32)C(=O)C1 ZINC001245928033 987190593 /nfs/dbraw/zinc/19/05/93/987190593.db2.gz JBWMWAVOALWZOO-ZDUSSCGKSA-N 0 2 228.295 2.823 20 0 BFADLN Cc1ccccc1-c1cc(=O)n(C2CC2)[nH]1 ZINC001245935612 987201600 /nfs/dbraw/zinc/20/16/00/987201600.db2.gz HXWZFRYWAIZOBJ-UHFFFAOYSA-N 0 2 214.268 2.899 20 0 BFADLN Nc1cccc(-c2cc(=O)n(C3CCCC3)[nH]2)c1 ZINC001245949291 987226367 /nfs/dbraw/zinc/22/63/67/987226367.db2.gz UBXGRDGMVQSHOR-UHFFFAOYSA-N 0 2 243.310 2.953 20 0 BFADLN COc1ccc(CSc2nc(C)n[nH]2)cc1C ZINC001324346577 988810038 /nfs/dbraw/zinc/81/00/38/988810038.db2.gz JWARMHGHWYHLSS-UHFFFAOYSA-N 0 2 249.339 2.722 20 0 BFADLN CC(C)(C)[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001518812844 989340324 /nfs/dbraw/zinc/34/03/24/989340324.db2.gz FLDGPTRKJQTXCT-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)(C)[C@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001518812844 989340339 /nfs/dbraw/zinc/34/03/39/989340339.db2.gz FLDGPTRKJQTXCT-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN Cn1ccc(-c2cc(Cl)c(O)cc2F)n1 ZINC000389399267 993748146 /nfs/dbraw/zinc/74/81/46/993748146.db2.gz GJUXGVSTFXDTRL-UHFFFAOYSA-N 0 2 226.638 2.585 20 0 BFADLN O=C([O-])c1ccc(N[C@H]2CC23CCCCC3)[nH+]c1 ZINC000386979733 398224221 /nfs/dbraw/zinc/22/42/21/398224221.db2.gz IDLITKXGRYXWBJ-NSHDSACASA-N 0 2 246.310 2.915 20 0 BFADLN Cc1ccccc1N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000634582386 342798234 /nfs/dbraw/zinc/79/82/34/342798234.db2.gz RHTUAPQKRAQCFG-GHMZBOCLSA-N 0 2 228.295 2.744 20 0 BFADLN Cc1ccccc1N1N=C2[C@@H](C)CC[C@@H]2C1=O ZINC000634582388 342798265 /nfs/dbraw/zinc/79/82/65/342798265.db2.gz RHTUAPQKRAQCFG-QWRGUYRKSA-N 0 2 228.295 2.744 20 0 BFADLN C(N=c1[nH]nc(C2CC2)s1)[C@@H]1CCCC12CC2 ZINC000624758533 342826048 /nfs/dbraw/zinc/82/60/48/342826048.db2.gz ZUCCPOAKGFZKJB-JTQLQIEISA-N 0 2 249.383 2.830 20 0 BFADLN CCCCn1[nH]c2c(c1=O)CCCCCC2 ZINC000634585942 342929068 /nfs/dbraw/zinc/92/90/68/342929068.db2.gz WZCZPXPRESTTDF-NSHDSACASA-N 0 2 222.332 2.955 20 0 BFADLN CCc1ccccc1N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000634589190 342935184 /nfs/dbraw/zinc/93/51/84/342935184.db2.gz QJSWQHVHGLETKB-PWSUYJOCSA-N 0 2 242.322 2.998 20 0 BFADLN CCC1=NN(c2nccc3sccc32)C(=O)C1 ZINC000634596560 342966378 /nfs/dbraw/zinc/96/63/78/342966378.db2.gz JHRIRCJYESLRKU-UHFFFAOYSA-N 0 2 245.307 2.799 20 0 BFADLN CCc1cc(=O)n(-c2nccc3sccc32)[nH]1 ZINC000634596560 342966379 /nfs/dbraw/zinc/96/63/79/342966379.db2.gz JHRIRCJYESLRKU-UHFFFAOYSA-N 0 2 245.307 2.799 20 0 BFADLN CCCC1=NN([C@@H]2CCC[C@H](C)C2)C(=O)C1 ZINC000634599085 342987280 /nfs/dbraw/zinc/98/72/80/342987280.db2.gz AGTVYOMLGYDTRG-CMPLNLGQSA-N 0 2 222.332 2.954 20 0 BFADLN CC(C)(C)CCn1[nH]c2c(c1=O)CCCC2 ZINC000634620586 343019618 /nfs/dbraw/zinc/01/96/18/343019618.db2.gz IZUQMIXUSLGKBW-JTQLQIEISA-N 0 2 222.332 2.811 20 0 BFADLN CC1=NN([C@H](Cc2ccccc2)C(C)C)C(=O)C1 ZINC000634621581 343020320 /nfs/dbraw/zinc/02/03/20/343020320.db2.gz KOFINKALIAYYAH-CQSZACIVSA-N 0 2 244.338 2.862 20 0 BFADLN CC[C@@H](C)n1[nH]c(-c2ccc(F)c(C)c2)cc1=O ZINC000634623790 343024269 /nfs/dbraw/zinc/02/42/69/343024269.db2.gz OWQXLZLALASSOI-SNVBAGLBSA-N 0 2 248.301 2.869 20 0 BFADLN CC1(C)CCCC[C@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625169 343028611 /nfs/dbraw/zinc/02/86/11/343028611.db2.gz ACSCKXGIPHWICP-CMPLNLGQSA-N 0 2 234.343 2.954 20 0 BFADLN CCC1=NN(c2ccc(C)c(F)c2)C(=O)[C@@H]1C ZINC000634614812 343012029 /nfs/dbraw/zinc/01/20/29/343012029.db2.gz OTVFZIDJYKYDBT-SECBINFHSA-N 0 2 234.274 2.883 20 0 BFADLN Cc1ccc(N2N=C3[C@@H](C)CC[C@@H]3C2=O)cc1F ZINC000634614598 343012245 /nfs/dbraw/zinc/01/22/45/343012245.db2.gz HDIFEXJSRPMBDS-ONGXEEELSA-N 0 2 246.285 2.883 20 0 BFADLN C[C@@H](n1[nH]c2c(c1=O)C[C@H](C)CC2)C(F)(F)F ZINC000634630709 343041010 /nfs/dbraw/zinc/04/10/10/343041010.db2.gz CIOKYGORMNPRNS-PRJMDXOYSA-N 0 2 248.248 2.572 20 0 BFADLN CCCC1=NN([C@H](C)c2ccncc2)C(=O)C1 ZINC000634626652 343028910 /nfs/dbraw/zinc/02/89/10/343028910.db2.gz IZWYEIXDZKTFLD-SNVBAGLBSA-N 0 2 231.299 2.531 20 0 BFADLN CCC1=NN([C@@H]2CCCC2(C)C)C(=O)C1 ZINC000634625406 343029277 /nfs/dbraw/zinc/02/92/77/343029277.db2.gz GBTJFLNQEAPNEH-SNVBAGLBSA-N 0 2 208.305 2.563 20 0 BFADLN O=S(=O)(Nc1cccs1)c1ccccc1 ZINC000039121795 343385941 /nfs/dbraw/zinc/38/59/41/343385941.db2.gz YWGXNSNKBVOMJT-UHFFFAOYSA-N 0 2 239.321 2.549 20 0 BFADLN O=[S@](CC[C@@H]1CCCCO1)c1ccccc1 ZINC000350507899 136361811 /nfs/dbraw/zinc/36/18/11/136361811.db2.gz JGWBNQBYHAFRPV-BLLLJJGKSA-N 0 2 238.352 2.753 20 0 BFADLN C1CC12C[C@H]2Nc1nc(C2CCCC2)ns1 ZINC000425272079 192087579 /nfs/dbraw/zinc/08/75/79/192087579.db2.gz JYYMZLULKRFJMH-SECBINFHSA-N 0 2 235.356 2.582 20 0 BFADLN CC(C)(C)c1nc(=N[C@@H]2CC[C@H](F)C2)s[nH]1 ZINC000336662527 187305667 /nfs/dbraw/zinc/30/56/67/187305667.db2.gz KLXNQVYROUYPCU-JGVFFNPUSA-N 0 2 243.351 2.560 20 0 BFADLN CC(C)(C)c1nsc(N[C@@H]2CC[C@H](F)C2)n1 ZINC000336662527 187305669 /nfs/dbraw/zinc/30/56/69/187305669.db2.gz KLXNQVYROUYPCU-JGVFFNPUSA-N 0 2 243.351 2.560 20 0 BFADLN CC[C@@H](N=c1[nH]nc(C)s1)[C@H]1CC1(C)C ZINC000397789821 323096298 /nfs/dbraw/zinc/09/62/98/323096298.db2.gz ZHAGQWLNJLCYKQ-RKDXNWHRSA-N 0 2 225.361 2.505 20 0 BFADLN CCCc1nsc(N[C@H]2CCC[C@H]2CC)n1 ZINC000390643623 259396246 /nfs/dbraw/zinc/39/62/46/259396246.db2.gz NIMNEZOQSVYWHS-ZJUUUORDSA-N 0 2 239.388 2.903 20 0 BFADLN CC[C@@H](CC(C)C)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000410488467 191044128 /nfs/dbraw/zinc/04/41/28/191044128.db2.gz KLHLQQOKGBVMEY-LBPRGKRZSA-N 0 2 249.358 2.526 20 0 BFADLN Cc1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)nc1C ZINC000359715221 180428755 /nfs/dbraw/zinc/42/87/55/180428755.db2.gz KZSWQQTUQHKQDW-ZWKOPEQDSA-N 0 2 246.358 2.503 20 0 BFADLN Cc1n[nH]c(=NC[C@H]2CCC[C@H]2C2CC2)s1 ZINC000413486340 191387572 /nfs/dbraw/zinc/38/75/72/191387572.db2.gz YBTDPQUTTYBBDO-MNOVXSKESA-N 0 2 237.372 2.507 20 0 BFADLN C[C@H]1COCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000351894552 356164183 /nfs/dbraw/zinc/16/41/83/356164183.db2.gz XXRDUNNHYMQYOW-DLGQBQFBSA-N 0 2 235.302 2.560 20 0 BFADLN Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C)[nH+]1 ZINC000639670452 356586434 /nfs/dbraw/zinc/58/64/34/356586434.db2.gz APQICJKJXUGGMB-STQMWFEESA-N 0 2 248.395 2.697 20 0 BFADLN Cc1ccc(C[C@H](C)N=c2[nH]ncs2)c(C)c1 ZINC000450328501 202130232 /nfs/dbraw/zinc/13/02/32/202130232.db2.gz OPONSWKUSFEZSE-NSHDSACASA-N 0 2 247.367 2.620 20 0 BFADLN CC(C)SCCNc1nc(C(C)C)ns1 ZINC000393723469 357294884 /nfs/dbraw/zinc/29/48/84/357294884.db2.gz PJWFZZIIONUQGL-UHFFFAOYSA-N 0 2 245.417 2.637 20 0 BFADLN CC[C@@H]1C[C@H]1CN=c1[nH]nc(C(C)C)s1 ZINC000450726642 202246927 /nfs/dbraw/zinc/24/69/27/202246927.db2.gz VPWJPXDHXWWYHM-BDAKNGLRSA-N 0 2 225.361 2.541 20 0 BFADLN C/C=C/C[C@@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495142 359697218 /nfs/dbraw/zinc/69/72/18/359697218.db2.gz JLXXYPFNNSPMMC-ISZGNANSSA-N 0 2 247.386 2.907 20 0 BFADLN C[C@]1(CNc2cccc(C(=O)[O-])[nH+]2)C[C@H]2C[C@H]2C1 ZINC000629769987 361693568 /nfs/dbraw/zinc/69/35/68/361693568.db2.gz WYBLZWSVTOBKDX-MSRIBSCDSA-N 0 2 246.310 2.628 20 0 BFADLN CC1(Nc2nc(C3CCCC3)ns2)CCC1 ZINC000574029626 364969548 /nfs/dbraw/zinc/96/95/48/364969548.db2.gz VVTCFSZYZMGURZ-UHFFFAOYSA-N 0 2 237.372 2.972 20 0 BFADLN CCc1nsc(NC2CC(C(C)(C)C)C2)n1 ZINC000338738029 365435879 /nfs/dbraw/zinc/43/58/79/365435879.db2.gz WPOZPNMSMDNYGW-UHFFFAOYSA-N 0 2 239.388 2.759 20 0 BFADLN CCCn1[nH]c(-c2ccc(Cl)cc2)cc1=O ZINC000203804564 368512986 /nfs/dbraw/zinc/51/29/86/368512986.db2.gz LVFPVHCIIFKBKR-UHFFFAOYSA-N 0 2 236.702 2.686 20 0 BFADLN CCCN(C)C(=O)c1cc(F)cc(Cl)c1O ZINC000267102807 169059983 /nfs/dbraw/zinc/05/99/83/169059983.db2.gz YHHJTSIQECRKMT-UHFFFAOYSA-N 0 2 245.681 2.667 20 0 BFADLN O=C1N=NC(S[C@@H]2CCCc3ccccc32)N1 ZINC000187638881 384279988 /nfs/dbraw/zinc/27/99/88/384279988.db2.gz BARHEHGRWPZFFP-SNVBAGLBSA-N 0 2 247.323 2.680 20 0 BFADLN O=c1[nH]nc(S[C@@H]2CCCc3ccccc32)[nH]1 ZINC000187638881 384279992 /nfs/dbraw/zinc/27/99/92/384279992.db2.gz BARHEHGRWPZFFP-SNVBAGLBSA-N 0 2 247.323 2.680 20 0 BFADLN Cc1cc(C)c(CSc2n[nH]c(=O)[nH]2)c(C)c1 ZINC000187647588 384280010 /nfs/dbraw/zinc/28/00/10/384280010.db2.gz UCHYCVYDOMRMEF-UHFFFAOYSA-N 0 2 249.339 2.728 20 0 BFADLN CC[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1O ZINC000176936246 384812677 /nfs/dbraw/zinc/81/26/77/384812677.db2.gz BITHPEAJQWCWBC-ZCFIWIBFSA-N 0 2 245.681 2.713 20 0 BFADLN CC(C)(C)[C@@H]1CCC[C@@H]1N=c1[nH]ncs1 ZINC000413585244 385848010 /nfs/dbraw/zinc/84/80/10/385848010.db2.gz UOCIMNGSIGHGJM-BDAKNGLRSA-N 0 2 225.361 2.587 20 0 BFADLN Cc1cc(C)cc(C2(C(=O)NOC(C)C)CC2)c1 ZINC000295500016 386042991 /nfs/dbraw/zinc/04/29/91/386042991.db2.gz GJVRGKXIYZZIAM-UHFFFAOYSA-N 0 2 247.338 2.791 20 0 BFADLN CCN(CC)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000274438995 386105259 /nfs/dbraw/zinc/10/52/59/386105259.db2.gz HBRVPEJQCJAPPK-UHFFFAOYSA-N 0 2 245.681 2.667 20 0 BFADLN Cc1n[nH]c(=NCC(C)(C)CC(C)C)s1 ZINC000336773564 386107299 /nfs/dbraw/zinc/10/72/99/386107299.db2.gz YYLUTVLIQQRHEH-UHFFFAOYSA-N 0 2 227.377 2.753 20 0 BFADLN O=C([O-])c1cccc(N2CCCC3(CCC3)C2)[nH+]1 ZINC000416420250 386298309 /nfs/dbraw/zinc/29/83/09/386298309.db2.gz YCGYPMJXKRYJGL-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN O=C([O-])c1cccc(NC[C@@H]2CC=CCC2)[nH+]1 ZINC000051067415 386759717 /nfs/dbraw/zinc/75/97/17/386759717.db2.gz NEQCWKBDJYLDAO-SNVBAGLBSA-N 0 2 232.283 2.548 20 0 BFADLN CCC(CC)[C@H](C)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000341684649 386950629 /nfs/dbraw/zinc/95/06/29/386950629.db2.gz CJZPYOJGTFNRKK-JTQLQIEISA-N 0 2 249.358 2.526 20 0 BFADLN Cc1cccc([C@@H](C)Sc2n[nH]c(=O)[nH]2)c1 ZINC000187633694 387210628 /nfs/dbraw/zinc/21/06/28/387210628.db2.gz UDUNPQJOEPZJSC-MRVPVSSYSA-N 0 2 235.312 2.672 20 0 BFADLN CC[C@@H](Sc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000187643849 387213153 /nfs/dbraw/zinc/21/31/53/387213153.db2.gz NOCLYVQXTHLWMT-SECBINFHSA-N 0 2 235.312 2.754 20 0 BFADLN CCCc1nsc(N[C@H]2CCC[C@@H](F)C2)n1 ZINC000515379411 387369943 /nfs/dbraw/zinc/36/99/43/387369943.db2.gz XPBAJQQTJQMMAQ-BDAKNGLRSA-N 0 2 243.351 2.605 20 0 BFADLN Cc1cccc(NC[C@H]2[N@@H+](C)CCCC2(C)C)[nH+]1 ZINC000447812918 388094026 /nfs/dbraw/zinc/09/40/26/388094026.db2.gz TYEGVYUNRBACBR-CYBMUJFWSA-N 0 2 247.386 2.922 20 0 BFADLN CCCC[C@H](CC)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000522316507 388749882 /nfs/dbraw/zinc/74/98/82/388749882.db2.gz ZGOOLSCORHNXLN-LBPRGKRZSA-N 0 2 249.358 2.670 20 0 BFADLN O=C([O-])c1cccc(NCC2=CCCCC2)[nH+]1 ZINC000263305933 135346214 /nfs/dbraw/zinc/34/62/14/135346214.db2.gz FBVIJADWRGGIKC-UHFFFAOYSA-N 0 2 232.283 2.692 20 0 BFADLN CCC[C@@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263383875 135350334 /nfs/dbraw/zinc/35/03/34/135350334.db2.gz DIXOBJYMALDQPR-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN C[C@@H]1CC[C@@H]1NC(=O)c1cccc2cnccc21 ZINC000334354279 135369973 /nfs/dbraw/zinc/36/99/73/135369973.db2.gz ZGHBYJNOMRCIRC-YGRLFVJLSA-N 0 2 240.306 2.763 20 0 BFADLN CC[C@@H]1CCC[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000388831344 398002361 /nfs/dbraw/zinc/00/23/61/398002361.db2.gz WHBVDXDUIYXDQW-MWLCHTKSSA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@H]1CCC[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000388831338 398002384 /nfs/dbraw/zinc/00/23/84/398002384.db2.gz WHBVDXDUIYXDQW-GXSJLCMTSA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@]1(C)CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767398 410416034 /nfs/dbraw/zinc/41/60/34/410416034.db2.gz TVDIMCIEZPFFSU-CQSZACIVSA-N 0 2 248.326 2.796 20 0 BFADLN CCC[C@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767462 410416321 /nfs/dbraw/zinc/41/63/21/410416321.db2.gz VRGZCBHWSWPVPA-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C ZINC000103294685 410889241 /nfs/dbraw/zinc/88/92/41/410889241.db2.gz PILRYTUZGGVGLL-JTQLQIEISA-N 0 2 216.284 2.662 20 0 BFADLN Cc1nsc(N[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000651395946 410978086 /nfs/dbraw/zinc/97/80/86/410978086.db2.gz DYFULIHAAMJUTD-DTWKUNHWSA-N 0 2 225.361 2.505 20 0 BFADLN CC[C@H](Nc1cc[nH+]c(C(=O)[O-])c1)C(C)C ZINC000042593749 411021101 /nfs/dbraw/zinc/02/11/01/411021101.db2.gz UBMHVVNZCGHKLJ-JTQLQIEISA-N 0 2 222.288 2.626 20 0 BFADLN CCC1=NN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000109223815 411149763 /nfs/dbraw/zinc/14/97/63/411149763.db2.gz MEBNZOZLMPXNOZ-UHFFFAOYSA-N 0 2 236.702 2.838 20 0 BFADLN CCCC1=NN(Cc2cccc(C)c2)C(=O)C1 ZINC000109361911 411150395 /nfs/dbraw/zinc/15/03/95/411150395.db2.gz IAVQSJIMTCKRSJ-UHFFFAOYSA-N 0 2 230.311 2.883 20 0 BFADLN CCC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C ZINC000110454747 411098644 /nfs/dbraw/zinc/09/86/44/411098644.db2.gz NVMIVJZQDXCMDQ-SNVBAGLBSA-N 0 2 216.284 2.744 20 0 BFADLN CN(C[C@H]1CC=CCC1)c1cc[nH+]c(C(=O)[O-])c1 ZINC000402673428 411307493 /nfs/dbraw/zinc/30/74/93/411307493.db2.gz SRTROAPIWNKHQU-NSHDSACASA-N 0 2 246.310 2.572 20 0 BFADLN CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1C ZINC000103294624 168134742 /nfs/dbraw/zinc/13/47/42/168134742.db2.gz UOXUWRZXAZASQH-SSDOTTSWSA-N 0 2 222.675 2.699 20 0 BFADLN CC1=NN(c2ccccc2Cl)C(=O)[C@@H]1C ZINC000103294675 168135314 /nfs/dbraw/zinc/13/53/14/168135314.db2.gz BFTOQFDYSLADRD-SSDOTTSWSA-N 0 2 222.675 2.699 20 0 BFADLN CCC(C)(C)CC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000331518553 168273489 /nfs/dbraw/zinc/27/34/89/168273489.db2.gz SAGRYICOFQGAQR-UHFFFAOYSA-N 0 2 247.342 2.541 20 0 BFADLN C[C@@H]1CCC[C@@H](Nc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051042659 176124304 /nfs/dbraw/zinc/12/43/04/176124304.db2.gz QRKMSEQHWLTJHB-NXEZZACHSA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000079350895 487637759 /nfs/dbraw/zinc/63/77/59/487637759.db2.gz GMXVDXBOEWLHIX-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN CCOc1ccc(N2N=C(CC)[C@@H](C)C2=O)cc1 ZINC000233804663 487743296 /nfs/dbraw/zinc/74/32/96/487743296.db2.gz OTMWRXHNZJRDBP-SNVBAGLBSA-N 0 2 246.310 2.834 20 0 BFADLN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000810445922 586539260 /nfs/dbraw/zinc/53/92/60/586539260.db2.gz MPMFECMZZACBRD-RNJXMRFFSA-N 0 2 243.244 2.828 20 0 BFADLN CC[C@H](C)C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000810445922 586539261 /nfs/dbraw/zinc/53/92/61/586539261.db2.gz MPMFECMZZACBRD-RNJXMRFFSA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)(C)c1nc(=N[C@H]2CCC(C)(C)C2)[nH]o1 ZINC000545347071 325215249 /nfs/dbraw/zinc/21/52/49/325215249.db2.gz JIVCTYXMONNCHD-VIFPVBQESA-N 0 2 237.347 2.780 20 0 BFADLN C[C@H](CC(F)(F)F)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000235474313 487969625 /nfs/dbraw/zinc/96/96/25/487969625.db2.gz ARQKIJDFSNSPON-ZCFIWIBFSA-N 0 2 248.204 2.533 20 0 BFADLN CC1=NN(c2ccc(Cl)c(F)c2)C(=O)[C@H]1C ZINC000091947038 488076679 /nfs/dbraw/zinc/07/66/79/488076679.db2.gz DWRVCHHQJYOFJU-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN CC(C)[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)C1CC1 ZINC000324016837 487490026 /nfs/dbraw/zinc/49/00/26/487490026.db2.gz KUQYOVWMGLQZSI-GFCCVEGCSA-N 0 2 234.299 2.626 20 0 BFADLN C[C@@H]1CCC[C@@H]1CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000230688698 488138149 /nfs/dbraw/zinc/13/81/49/488138149.db2.gz YNURZJASLKMRTA-NXEZZACHSA-N 0 2 234.299 2.628 20 0 BFADLN O=C([O-])c1cc(NCCC2=CCCC2)cc[nH+]1 ZINC000228771059 491112168 /nfs/dbraw/zinc/11/21/68/491112168.db2.gz QZPJNKMIENSPAH-UHFFFAOYSA-N 0 2 232.283 2.692 20 0 BFADLN CC[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC000855876401 588852551 /nfs/dbraw/zinc/85/25/51/588852551.db2.gz CMGQZQKIZRVRBF-APPZFPTMSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC000855876401 588852552 /nfs/dbraw/zinc/85/25/52/588852552.db2.gz CMGQZQKIZRVRBF-APPZFPTMSA-N 0 2 241.228 2.582 20 0 BFADLN Cc1[nH]nc(C[N@H+]2CC3(CCC3)C[C@H]2C)c1C ZINC000894567104 583485031 /nfs/dbraw/zinc/48/50/31/583485031.db2.gz QHDKPYFZNWGYBW-SNVBAGLBSA-N 0 2 233.359 2.791 20 0 BFADLN FC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895544434 583689590 /nfs/dbraw/zinc/68/95/90/583689590.db2.gz MMMUBOXGKNUCLW-GFCCVEGCSA-N 0 2 247.317 2.516 20 0 BFADLN CC1=NN(c2ccc(F)cc2Cl)C(=O)[C@H]1C ZINC000899362429 584207782 /nfs/dbraw/zinc/20/77/82/584207782.db2.gz STYKZRARAGTOMR-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN C[C@@H]1CC[C@H]([NH2+]c2ccc(OCC(=O)[O-])cc2)C1 ZINC000901719655 584483456 /nfs/dbraw/zinc/48/34/56/584483456.db2.gz JKVXNWZQISXSMT-PWSUYJOCSA-N 0 2 249.310 2.751 20 0 BFADLN Cc1ccc([NH2+]C[C@@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000901718655 584483498 /nfs/dbraw/zinc/48/34/98/584483498.db2.gz VTZJBJMAEHCEEG-ZJUUUORDSA-N 0 2 219.284 2.761 20 0 BFADLN COc1cc(C)ccc1[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902188829 584536274 /nfs/dbraw/zinc/53/62/74/584536274.db2.gz FTPOPJAIKNTUJI-MXWKQRLJSA-N 0 2 249.310 2.525 20 0 BFADLN C[C@]1(NC(=O)[C@@H](F)C(F)(F)F)CC=CCC1 ZINC000838318934 585053779 /nfs/dbraw/zinc/05/37/79/585053779.db2.gz XIOYYOFGCGIQMW-APPZFPTMSA-N 0 2 239.212 2.502 20 0 BFADLN C[C@]1(NC(=O)C(F)C(F)(F)F)CC=CCC1 ZINC000838318934 585053780 /nfs/dbraw/zinc/05/37/80/585053780.db2.gz XIOYYOFGCGIQMW-APPZFPTMSA-N 0 2 239.212 2.502 20 0 BFADLN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000788134906 585093548 /nfs/dbraw/zinc/09/35/48/585093548.db2.gz WZJUUTWRBDHUIF-BWZBUEFSSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCC[C@@H](C)N1C(=O)C(F)C(F)(F)F ZINC000788134906 585093549 /nfs/dbraw/zinc/09/35/49/585093549.db2.gz WZJUUTWRBDHUIF-BWZBUEFSSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC000763921680 585457060 /nfs/dbraw/zinc/45/70/60/585457060.db2.gz VOPKXZGFEOCVKD-GJMOJQLCSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCCC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC000763921680 585457061 /nfs/dbraw/zinc/45/70/61/585457061.db2.gz VOPKXZGFEOCVKD-GJMOJQLCSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(CNC(=O)c2cccc(Cl)c2O)CC1 ZINC000775769688 585684556 /nfs/dbraw/zinc/68/45/56/585684556.db2.gz SXMXISUUDNUJFZ-UHFFFAOYSA-N 0 2 239.702 2.576 20 0 BFADLN CC/C(C)=C(\C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000779982809 585771168 /nfs/dbraw/zinc/77/11/68/585771168.db2.gz PAZFASGDGKIDCZ-CMDGGOBGSA-N 0 2 244.298 2.643 20 0 BFADLN CCC1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC000788303491 585921226 /nfs/dbraw/zinc/92/12/26/585921226.db2.gz FUYOKJYXHFJSMN-ZETCQYMHSA-N 0 2 241.228 2.583 20 0 BFADLN CCC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC000788303491 585921227 /nfs/dbraw/zinc/92/12/27/585921227.db2.gz FUYOKJYXHFJSMN-ZETCQYMHSA-N 0 2 241.228 2.583 20 0 BFADLN C[C@H]1CC(C)(C)CN1C(=O)[C@@H](F)C(F)(F)F ZINC000839878109 586168647 /nfs/dbraw/zinc/16/86/47/586168647.db2.gz YRTDPOHWYRDIPO-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H]1CC(C)(C)CN1C(=O)C(F)C(F)(F)F ZINC000839878109 586168649 /nfs/dbraw/zinc/16/86/49/586168649.db2.gz YRTDPOHWYRDIPO-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN O=C(NCC1CCCCC1)[C@H](F)C(F)(F)F ZINC000809952539 586525706 /nfs/dbraw/zinc/52/57/06/586525706.db2.gz AIKOQIVAYUYMGJ-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCC1CCCCC1)C(F)C(F)(F)F ZINC000809952539 586525708 /nfs/dbraw/zinc/52/57/08/586525708.db2.gz AIKOQIVAYUYMGJ-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN CC1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000810322742 586538362 /nfs/dbraw/zinc/53/83/62/586538362.db2.gz YPWBPKHEALTAHG-SSDOTTSWSA-N 0 2 241.228 2.535 20 0 BFADLN CC1(C)CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000810322742 586538363 /nfs/dbraw/zinc/53/83/63/586538363.db2.gz YPWBPKHEALTAHG-SSDOTTSWSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](F)C(F)(F)F ZINC000810464196 586539499 /nfs/dbraw/zinc/53/94/99/586539499.db2.gz VCIBJKFEKGNVRK-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1C[C@@H](C)CN1C(=O)C(F)C(F)(F)F ZINC000810464196 586539500 /nfs/dbraw/zinc/53/95/00/586539500.db2.gz VCIBJKFEKGNVRK-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](F)C(F)(F)F ZINC000810464199 586539581 /nfs/dbraw/zinc/53/95/81/586539581.db2.gz VCIBJKFEKGNVRK-XLPZGREQSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1C[C@H](C)CN1C(=O)C(F)C(F)(F)F ZINC000810464199 586539582 /nfs/dbraw/zinc/53/95/82/586539582.db2.gz VCIBJKFEKGNVRK-XLPZGREQSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC000810514394 586539836 /nfs/dbraw/zinc/53/98/36/586539836.db2.gz BBOTYXIDADAJKH-GJMOJQLCSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@H]1CCC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC000810514394 586539837 /nfs/dbraw/zinc/53/98/37/586539837.db2.gz BBOTYXIDADAJKH-GJMOJQLCSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000810851850 586548159 /nfs/dbraw/zinc/54/81/59/586548159.db2.gz UQQADDAOERLSGY-BQBZGAKWSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810851850 586548160 /nfs/dbraw/zinc/54/81/60/586548160.db2.gz UQQADDAOERLSGY-BQBZGAKWSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000811161227 586555961 /nfs/dbraw/zinc/55/59/61/586555961.db2.gz TUZVMVZTVUEJDQ-SFYZADRCSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1CCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811161227 586555962 /nfs/dbraw/zinc/55/59/62/586555962.db2.gz TUZVMVZTVUEJDQ-SFYZADRCSA-N 0 2 241.228 2.535 20 0 BFADLN CC(C)C(C)(C)CNC(=O)[C@@H](F)C(F)(F)F ZINC000811331082 586558565 /nfs/dbraw/zinc/55/85/65/586558565.db2.gz BSXOMMMFDHXMDW-SSDOTTSWSA-N 0 2 243.244 2.685 20 0 BFADLN CC(C)C(C)(C)CNC(=O)C(F)C(F)(F)F ZINC000811331082 586558566 /nfs/dbraw/zinc/55/85/66/586558566.db2.gz BSXOMMMFDHXMDW-SSDOTTSWSA-N 0 2 243.244 2.685 20 0 BFADLN CC1(NC(=O)[C@H](F)C(F)(F)F)CCCCC1 ZINC000815090967 586666202 /nfs/dbraw/zinc/66/62/02/586666202.db2.gz XTXTXAZOMOVTDJ-ZETCQYMHSA-N 0 2 241.228 2.726 20 0 BFADLN CC1(NC(=O)C(F)C(F)(F)F)CCCCC1 ZINC000815090967 586666203 /nfs/dbraw/zinc/66/62/03/586666203.db2.gz XTXTXAZOMOVTDJ-ZETCQYMHSA-N 0 2 241.228 2.726 20 0 BFADLN CC(C)C(NC(=O)[C@@H](F)C(F)(F)F)C(C)C ZINC000815840238 586694682 /nfs/dbraw/zinc/69/46/82/586694682.db2.gz PCCAQMIQFPPPAL-MRVPVSSYSA-N 0 2 243.244 2.684 20 0 BFADLN CC(C)C(NC(=O)C(F)C(F)(F)F)C(C)C ZINC000815840238 586694684 /nfs/dbraw/zinc/69/46/84/586694684.db2.gz PCCAQMIQFPPPAL-MRVPVSSYSA-N 0 2 243.244 2.684 20 0 BFADLN CCC(CC)N(CC)C(=O)[C@@H](F)C(F)(F)F ZINC000816721886 586760199 /nfs/dbraw/zinc/76/01/99/586760199.db2.gz WXBWAXXLJMKXET-MRVPVSSYSA-N 0 2 243.244 2.924 20 0 BFADLN CCC(CC)N(CC)C(=O)C(F)C(F)(F)F ZINC000816721886 586760200 /nfs/dbraw/zinc/76/02/00/586760200.db2.gz WXBWAXXLJMKXET-MRVPVSSYSA-N 0 2 243.244 2.924 20 0 BFADLN C[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC000819683283 586985200 /nfs/dbraw/zinc/98/52/00/586985200.db2.gz SUYRLYMMIXXALT-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC000819683283 586985202 /nfs/dbraw/zinc/98/52/02/586985202.db2.gz SUYRLYMMIXXALT-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CCC[C@H](CC)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000820642099 587061263 /nfs/dbraw/zinc/06/12/63/587061263.db2.gz NQPYAYMZLZIDAZ-VIFPVBQESA-N 0 2 246.314 2.723 20 0 BFADLN COc1ccc([NH2+]C(C)C)cc1NC(=O)[O-] ZINC000829479745 587499687 /nfs/dbraw/zinc/49/96/87/587499687.db2.gz MFHWXDDVLSLHDM-UHFFFAOYSA-N 0 2 224.260 2.605 20 0 BFADLN CCC1CN(C(=O)c2cccc(Cl)c2O)C1 ZINC000837258176 587861878 /nfs/dbraw/zinc/86/18/78/587861878.db2.gz JFEJCKBIUYDMJW-UHFFFAOYSA-N 0 2 239.702 2.528 20 0 BFADLN CN(CCC(C)(C)C)C(=O)[C@H](F)C(F)(F)F ZINC000843683983 588132580 /nfs/dbraw/zinc/13/25/80/588132580.db2.gz PWBPLPFZPAKILJ-ZETCQYMHSA-N 0 2 243.244 2.781 20 0 BFADLN CN(CCC(C)(C)C)C(=O)C(F)C(F)(F)F ZINC000843683983 588132581 /nfs/dbraw/zinc/13/25/81/588132581.db2.gz PWBPLPFZPAKILJ-ZETCQYMHSA-N 0 2 243.244 2.781 20 0 BFADLN C[C@@H](CC1CCC1)NC(=O)[C@@H](F)C(F)(F)F ZINC000871091599 589723270 /nfs/dbraw/zinc/72/32/70/589723270.db2.gz ZQRWKKQZPKNMHG-POYBYMJQSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](CC1CCC1)NC(=O)C(F)C(F)(F)F ZINC000871091599 589723273 /nfs/dbraw/zinc/72/32/73/589723273.db2.gz ZQRWKKQZPKNMHG-POYBYMJQSA-N 0 2 241.228 2.582 20 0 BFADLN CCCCC1=NN(c2ccnc(F)c2)C(=O)[C@@H]1C ZINC000871953125 589841613 /nfs/dbraw/zinc/84/16/13/589841613.db2.gz BUGLGZCOFIUFDT-SECBINFHSA-N 0 2 249.289 2.750 20 0 BFADLN CC(C)CCC1=NN([C@H]2CCSC2)C(=O)C1 ZINC000871959673 589845234 /nfs/dbraw/zinc/84/52/34/589845234.db2.gz OVDIZWGUWHXSTP-NSHDSACASA-N 0 2 240.372 2.516 20 0 BFADLN O=C([O-])CCCNc1ccc2ccccc2[nH+]1 ZINC000019433875 589911954 /nfs/dbraw/zinc/91/19/54/589911954.db2.gz QXXYVHDBOXFFAL-UHFFFAOYSA-N 0 2 230.267 2.512 20 0 BFADLN O=C(NOc1ccccc1F)[C@]12C[C@H]1CCCC2 ZINC000874909354 590153904 /nfs/dbraw/zinc/15/39/04/590153904.db2.gz IODLZENTKZBOLD-QMTHXVAHSA-N 0 2 249.285 2.816 20 0 BFADLN CC(C)(CNc1ccc2ccccc2[nH+]1)C(=O)[O-] ZINC000137487707 592190193 /nfs/dbraw/zinc/19/01/93/592190193.db2.gz UKRSNSCMRIPUAB-UHFFFAOYSA-N 0 2 244.294 2.758 20 0 BFADLN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000309736951 601220894 /nfs/dbraw/zinc/22/08/94/601220894.db2.gz GSNNZLKWNICOOT-LDYMZIIASA-N 0 2 239.702 2.560 20 0 BFADLN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000309736951 601220895 /nfs/dbraw/zinc/22/08/95/601220895.db2.gz GSNNZLKWNICOOT-LDYMZIIASA-N 0 2 239.702 2.560 20 0 BFADLN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000309736950 601221068 /nfs/dbraw/zinc/22/10/68/601221068.db2.gz GSNNZLKWNICOOT-KWQFWETISA-N 0 2 239.702 2.560 20 0 BFADLN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000309736950 601221070 /nfs/dbraw/zinc/22/10/70/601221070.db2.gz GSNNZLKWNICOOT-KWQFWETISA-N 0 2 239.702 2.560 20 0 BFADLN O=C(NOC1CCC1)C1(c2ccccc2)CCC1 ZINC000812787821 643377737 /nfs/dbraw/zinc/37/77/37/643377737.db2.gz AEXXVMPYLDIAIH-UHFFFAOYSA-N 0 2 245.322 2.709 20 0 BFADLN CC[C@@H]1[C@H](C)CCN1C(=O)C(F)C(F)(F)F ZINC000811185832 644911876 /nfs/dbraw/zinc/91/18/76/644911876.db2.gz USWZACGJJTYTSL-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H](F)C(F)(F)F ZINC000811185832 644911882 /nfs/dbraw/zinc/91/18/82/644911882.db2.gz USWZACGJJTYTSL-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)N(C(=O)C(F)C(F)(F)F)C1CCC1 ZINC000815676046 644955427 /nfs/dbraw/zinc/95/54/27/644955427.db2.gz BTFVYQLYFGJKTG-MRVPVSSYSA-N 0 2 241.228 2.676 20 0 BFADLN CC(C)N(C(=O)[C@@H](F)C(F)(F)F)C1CCC1 ZINC000815676046 644955429 /nfs/dbraw/zinc/95/54/29/644955429.db2.gz BTFVYQLYFGJKTG-MRVPVSSYSA-N 0 2 241.228 2.676 20 0 BFADLN O=C([O-])c1csc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000711418328 712299029 /nfs/dbraw/zinc/29/90/29/712299029.db2.gz WXUFZUNTZZMUNK-UHFFFAOYSA-N 0 2 241.287 2.505 20 0 BFADLN O=C([O-])c1csc(C[N@H+]2CCC=C(F)C2)c1 ZINC000711418328 712299031 /nfs/dbraw/zinc/29/90/31/712299031.db2.gz WXUFZUNTZZMUNK-UHFFFAOYSA-N 0 2 241.287 2.505 20 0 BFADLN Cc1cnc(-c2cc(Cl)c(O)cc2F)nc1 ZINC000715547270 967155214 /nfs/dbraw/zinc/15/52/14/967155214.db2.gz GNOCPZIEQUTIJM-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1nnc(Nc2ccc(Cl)c(O)c2F)o1 ZINC001214791024 970540142 /nfs/dbraw/zinc/54/01/42/970540142.db2.gz HIFJRAQKLCKXIZ-UHFFFAOYSA-N 0 2 243.625 2.620 20 0 BFADLN CC[C@@H](CC(F)F)Cn1cc(C(=O)[O-])[nH+]c1C ZINC001595041700 979227411 /nfs/dbraw/zinc/22/74/11/979227411.db2.gz USLJPGSEQXARRL-QMMMGPOBSA-N 0 2 246.257 2.571 20 0 BFADLN CC(C)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225877932 974712788 /nfs/dbraw/zinc/71/27/88/974712788.db2.gz FVXVHERXOJHKSV-UHFFFAOYSA-N 0 2 224.153 2.736 20 0 BFADLN CCC[C@@H](C)[C@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225884647 974717400 /nfs/dbraw/zinc/71/74/00/974717400.db2.gz HVIDOZNGACGZJO-SCZZXKLOSA-N 0 2 242.294 2.915 20 0 BFADLN Cc1occc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000321585956 970785947 /nfs/dbraw/zinc/78/59/47/970785947.db2.gz OWKWQPSJTVDKPD-CYBMUJFWSA-N 0 2 245.278 2.504 20 0 BFADLN Cc1c(F)cncc1Nc1nnc(C(C)C)o1 ZINC001216190937 970973889 /nfs/dbraw/zinc/97/38/89/970973889.db2.gz UYZXMVDGGGUERW-UHFFFAOYSA-N 0 2 236.250 2.779 20 0 BFADLN Cc1cc(S)ccc1OC1CCC(O)CC1 ZINC001218366911 971752055 /nfs/dbraw/zinc/75/20/55/971752055.db2.gz HWMKJZGNJZQGFV-UHFFFAOYSA-N 0 2 238.352 2.966 20 0 BFADLN Oc1cc(F)c(-c2cnc(F)cn2)cc1Cl ZINC001245671096 971959172 /nfs/dbraw/zinc/95/91/72/971959172.db2.gz CYMIIYREDWEPCW-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN C[C@@H](N(C)c1ccc(C(=O)[O-])c[nH+]1)C(C)(C)C ZINC000042781460 957427482 /nfs/dbraw/zinc/42/74/82/957427482.db2.gz HKODNBNHGMXHKG-SECBINFHSA-N 0 2 236.315 2.651 20 0 BFADLN CC(C)c1nsc(N[C@H]2C[C@@]2(C)C(C)C)n1 ZINC000397305539 957591664 /nfs/dbraw/zinc/59/16/64/957591664.db2.gz PWZYNSODWIDGGJ-CABZTGNLSA-N 0 2 239.388 2.930 20 0 BFADLN C[C@H]1CCC[C@H](C)C1Oc1nc(=O)[nH]cc1F ZINC001225886130 962896875 /nfs/dbraw/zinc/89/68/75/962896875.db2.gz UATWOZFZQGIWIC-YUMQZZPRSA-N 0 2 240.278 2.525 20 0 BFADLN Oc1ccc(Cl)cc1-c1ncccn1 ZINC000715767412 967591156 /nfs/dbraw/zinc/59/11/56/967591156.db2.gz CHQDVQBURBKICF-UHFFFAOYSA-N 0 2 206.632 2.503 20 0 BFADLN O=C([O-])c1cc(-c2ccn3cc[nH+]c3c2)cs1 ZINC001206272942 968190883 /nfs/dbraw/zinc/19/08/83/968190883.db2.gz USVDQRIBIZIQLO-UHFFFAOYSA-N 0 2 244.275 2.761 20 0 BFADLN CCCc1nnc(-c2cc(F)cc(F)c2O)o1 ZINC001254026016 969449665 /nfs/dbraw/zinc/44/96/65/969449665.db2.gz GPQBCRUUMDJVJV-UHFFFAOYSA-N 0 2 240.209 2.673 20 0 BFADLN Cc1cc[nH+]c(Nc2cc(F)cc(C(=O)[O-])c2)c1 ZINC001209887013 969680416 /nfs/dbraw/zinc/68/04/16/969680416.db2.gz KKDYGAKKPYASFJ-UHFFFAOYSA-N 0 2 246.241 2.971 20 0 BFADLN COc1nonc1Nc1c(F)cccc1C1CC1 ZINC001213448016 970314753 /nfs/dbraw/zinc/31/47/53/970314753.db2.gz QDOZXWLPJSHUGA-UHFFFAOYSA-N 0 2 249.245 2.838 20 0 BFADLN Cc1n[nH]c(SC2CC(OC(C)(C)C)C2)n1 ZINC001327999868 972845814 /nfs/dbraw/zinc/84/58/14/972845814.db2.gz GRVPYGNGVIZLFF-UHFFFAOYSA-N 0 2 241.360 2.551 20 0 BFADLN C[C@@H]1C[C@@H](Oc2ccc(S)cc2)CCO1 ZINC001225557980 974554772 /nfs/dbraw/zinc/55/47/72/974554772.db2.gz LWHPKLVKCXJUOI-KOLCDFICSA-N 0 2 224.325 2.922 20 0 BFADLN CC(C)CC[C@H](C)Oc1nc(=O)[nH]cc1F ZINC001225881483 974715061 /nfs/dbraw/zinc/71/50/61/974715061.db2.gz JCLYOYHAAIRLKG-QMMMGPOBSA-N 0 2 228.267 2.525 20 0 BFADLN CCCC[C@H](C)Oc1nc(C)[nH]c(=O)c1F ZINC001226419908 974891636 /nfs/dbraw/zinc/89/16/36/974891636.db2.gz IIFMZTLHBHJYDV-ZETCQYMHSA-N 0 2 228.267 2.587 20 0 BFADLN CCCC[C@@H](CC)Oc1nc(C)[nH]c(=O)c1F ZINC001226418558 974891951 /nfs/dbraw/zinc/89/19/51/974891951.db2.gz BSCKSOUQFNICDH-SECBINFHSA-N 0 2 242.294 2.977 20 0 BFADLN CC[C@@H](C)[C@H](C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228011212 975850278 /nfs/dbraw/zinc/85/02/78/975850278.db2.gz YISAAZCOIXJYLW-BDAKNGLRSA-N 0 2 247.298 2.544 20 0 BFADLN CC[C@H](C)[C@@H](C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228011213 975851848 /nfs/dbraw/zinc/85/18/48/975851848.db2.gz YISAAZCOIXJYLW-DTWKUNHWSA-N 0 2 247.298 2.544 20 0 BFADLN Cc1cc(C)c(Nc2cncc(C(=O)[O-])c2)c[nH+]1 ZINC001175839590 977756015 /nfs/dbraw/zinc/75/60/15/977756015.db2.gz WTXMNDZVFHGPQZ-UHFFFAOYSA-N 0 2 243.266 2.535 20 0 BFADLN Cc1ccc(N[C@H]2CCC[C@@H]2C)[nH+]c1C(=O)[O-] ZINC001600459443 978695127 /nfs/dbraw/zinc/69/51/27/978695127.db2.gz HMEFQXVMBUQOIL-WPRPVWTQSA-N 0 2 234.299 2.689 20 0 BFADLN Cc1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]c1C(=O)[O-] ZINC001600460171 978695782 /nfs/dbraw/zinc/69/57/82/978695782.db2.gz PGZFWKUWVHZAOF-GARJFASQSA-N 0 2 246.310 2.689 20 0 BFADLN O=c1ccoc2cc(O)cc(OC3CCCC3)c12 ZINC001233827339 978706508 /nfs/dbraw/zinc/70/65/08/978706508.db2.gz PGTMUBVVZBMTMZ-UHFFFAOYSA-N 0 2 246.262 2.820 20 0 BFADLN O=c1ccoc2cc(O)cc(O[C@H]3C=CCC3)c12 ZINC001233833480 978706780 /nfs/dbraw/zinc/70/67/80/978706780.db2.gz ISPYCIDPJZQZPM-JTQLQIEISA-N 0 2 244.246 2.596 20 0 BFADLN Oc1cc(Cl)cc(-c2[nH]ccc3ncnc2-3)c1 ZINC001235899639 979190008 /nfs/dbraw/zinc/19/00/08/979190008.db2.gz MANXVTQDWIOBAQ-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN CC(C)[C@@H](Nc1cc(CC(=O)[O-])cc[nH+]1)C1CC1 ZINC001603740200 979511068 /nfs/dbraw/zinc/51/10/68/979511068.db2.gz LNHYLOYEIJZFNH-CQSZACIVSA-N 0 2 248.326 2.555 20 0 BFADLN CC[C@H](C)[C@@H](C)Nc1cc(CC(=O)[O-])cc[nH+]1 ZINC001604932060 979772663 /nfs/dbraw/zinc/77/26/63/979772663.db2.gz UPWPHWPUZMXTTD-VHSXEESVSA-N 0 2 236.315 2.555 20 0 BFADLN Cc1ccc(NCC2CC(C)C2)[nH+]c1C(=O)[O-] ZINC001607809054 980127937 /nfs/dbraw/zinc/12/79/37/980127937.db2.gz NGJLMQNPUQDPCY-UHFFFAOYSA-N 0 2 234.299 2.546 20 0 BFADLN Cc1ccc([N@H+](C)CC2(CC(=O)[O-])CC2)cc1C ZINC001607791763 980127984 /nfs/dbraw/zinc/12/79/84/980127984.db2.gz IIBNMTHJWGISKX-UHFFFAOYSA-N 0 2 247.338 2.995 20 0 BFADLN Cc1ccc([N@@H+](C)CC2(CC(=O)[O-])CC2)cc1C ZINC001607791763 980127989 /nfs/dbraw/zinc/12/79/89/980127989.db2.gz IIBNMTHJWGISKX-UHFFFAOYSA-N 0 2 247.338 2.995 20 0 BFADLN CC[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(F)F ZINC001595299264 980425890 /nfs/dbraw/zinc/42/58/90/980425890.db2.gz NVXJZRMLOAZOPT-JTQLQIEISA-N 0 2 243.253 2.518 20 0 BFADLN Cc1n[nH]c(C)c1-c1ccc(S)cc1 ZINC001240125288 981121115 /nfs/dbraw/zinc/12/11/15/981121115.db2.gz YMXGQTMWQHNLSE-UHFFFAOYSA-N 0 2 204.298 2.982 20 0 BFADLN Cc1nn(C)c(C)c1-c1cccc(S)c1 ZINC001240144897 981145316 /nfs/dbraw/zinc/14/53/16/981145316.db2.gz WDJXEUUWQZQHEV-UHFFFAOYSA-N 0 2 218.325 2.993 20 0 BFADLN O=C([O-])c1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240504026 981431707 /nfs/dbraw/zinc/43/17/07/981431707.db2.gz UVMNVVKIASDSCG-UHFFFAOYSA-N 0 2 238.246 2.700 20 0 BFADLN CCC[C@H](C)N(C)c1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001595577990 981497375 /nfs/dbraw/zinc/49/73/75/981497375.db2.gz DMGMNVOTHTWKOE-JTQLQIEISA-N 0 2 236.315 2.713 20 0 BFADLN [S-]c1cc(S)cc(C2=CCC[NH2+]C2)c1 ZINC001240669355 981577418 /nfs/dbraw/zinc/57/74/18/981577418.db2.gz KOVDQLWQSOMHLQ-UHFFFAOYSA-N 0 2 223.366 2.641 20 0 BFADLN Oc1ccc(F)cc1-c1ncc(C2CC2)cn1 ZINC001240693996 981598886 /nfs/dbraw/zinc/59/88/86/981598886.db2.gz LOUXIRNMNPCDSH-UHFFFAOYSA-N 0 2 230.242 2.866 20 0 BFADLN Cc1cnc(-c2cc(F)ccc2O)nc1C ZINC001240696115 981606559 /nfs/dbraw/zinc/60/65/59/981606559.db2.gz BJGNPSWAWRGRRC-UHFFFAOYSA-N 0 2 218.231 2.605 20 0 BFADLN Sc1ccccc1-c1cnc2n[nH]cc2c1 ZINC001241425164 982575850 /nfs/dbraw/zinc/57/58/50/982575850.db2.gz ZJHGXSVBHMKOOF-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Cc1cc(-c2cc3nn[nH]c3cc2F)ccc1O ZINC001242113893 983361961 /nfs/dbraw/zinc/36/19/61/983361961.db2.gz KAHSUPJPYDASMY-UHFFFAOYSA-N 0 2 243.241 2.778 20 0 BFADLN CCc1ncc(F)c(-c2ccc(F)cc2O)n1 ZINC001242217048 983415946 /nfs/dbraw/zinc/41/59/46/983415946.db2.gz JOTASTZWJZTVMY-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN CC(C)Oc1nccnc1-c1ccc(F)cc1O ZINC001242217063 983416050 /nfs/dbraw/zinc/41/60/50/983416050.db2.gz KPHRNMDMHDLKRK-UHFFFAOYSA-N 0 2 248.257 2.776 20 0 BFADLN COc1ccnc(-c2ccc(F)cc2O)c1F ZINC001242218054 983416751 /nfs/dbraw/zinc/41/67/51/983416751.db2.gz YKXKGBDRWQAXKI-UHFFFAOYSA-N 0 2 237.205 2.741 20 0 BFADLN Cc1cc[nH+]c(C)c1-c1cccc(CC(=O)[O-])c1 ZINC001242263494 983485095 /nfs/dbraw/zinc/48/50/95/983485095.db2.gz HSIPNOULBXIWAY-UHFFFAOYSA-N 0 2 241.290 2.993 20 0 BFADLN CN(C)c1ccc(-c2cccc(Cl)c2O)nn1 ZINC001242363228 983654377 /nfs/dbraw/zinc/65/43/77/983654377.db2.gz YIXZURHZQOJTJK-UHFFFAOYSA-N 0 2 249.701 2.569 20 0 BFADLN Oc1c(Cl)cccc1-c1cnc(F)cn1 ZINC001242368193 983661280 /nfs/dbraw/zinc/66/12/80/983661280.db2.gz YESGSHLBTBYJHL-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN NC(=S)c1cccnc1-c1cccc(S)c1 ZINC001242865767 984208509 /nfs/dbraw/zinc/20/85/09/984208509.db2.gz AXUQIKNHNOWQCW-UHFFFAOYSA-N 0 2 246.360 2.672 20 0 BFADLN Sc1cccc(-c2cnc3[nH]ccc3n2)c1 ZINC001242865350 984208602 /nfs/dbraw/zinc/20/86/02/984208602.db2.gz AVDLFHODVYSOIP-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Cc1ccc(-c2ccc(C(=O)[O-])c(C)c2)[nH+]c1N ZINC001243213274 984708994 /nfs/dbraw/zinc/70/89/94/984708994.db2.gz YAVCDJPITUFIQD-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN CCc1nccnc1-c1cc(F)cc(F)c1O ZINC001243500371 985050762 /nfs/dbraw/zinc/05/07/62/985050762.db2.gz LQQXTWMURIWHDE-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ncnc2c1CCC2 ZINC001243499593 985054068 /nfs/dbraw/zinc/05/40/68/985054068.db2.gz LAMUYUPYSAZIRJ-UHFFFAOYSA-N 0 2 248.232 2.616 20 0 BFADLN COc1ccnc(-c2cc(F)cc(F)c2O)c1 ZINC001243500131 985054591 /nfs/dbraw/zinc/05/45/91/985054591.db2.gz MWXXTLZKDIRGOA-UHFFFAOYSA-N 0 2 237.205 2.741 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ncnc2occc21 ZINC001243499480 985054764 /nfs/dbraw/zinc/05/47/64/985054764.db2.gz JITLQSKSBMVVOS-UHFFFAOYSA-N 0 2 248.188 2.874 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cc(F)ccn1 ZINC001243499330 985055832 /nfs/dbraw/zinc/05/58/32/985055832.db2.gz GHXJYSQFODJKEY-UHFFFAOYSA-N 0 2 225.169 2.872 20 0 BFADLN Cc1ncc(F)c(-c2cc(F)cc(F)c2O)n1 ZINC001243499020 985056139 /nfs/dbraw/zinc/05/61/39/985056139.db2.gz AFFXVIYJNWKXFY-UHFFFAOYSA-N 0 2 240.184 2.575 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(CCC(=O)[O-])cc1 ZINC001244189070 985879429 /nfs/dbraw/zinc/87/94/29/985879429.db2.gz DMKMVFWUOHYHHL-NXOFHUPFSA-N 0 2 231.295 2.580 20 0 BFADLN CCOc1ccc(C(=O)[O-])cc1/C(C)=C/C=C/[NH3+] ZINC001244420813 986084306 /nfs/dbraw/zinc/08/43/06/986084306.db2.gz NPFHJPONZXRRHO-DXNUHORPSA-N 0 2 247.294 2.659 20 0 BFADLN Oc1c(Cl)ccc(-c2ccnc(F)n2)c1F ZINC001244631265 986294872 /nfs/dbraw/zinc/29/48/72/986294872.db2.gz SZNHICAIIHUKFF-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN CC[C@@H](NC(=O)C(F)(F)F)c1ccc(F)cc1 ZINC001463380649 986542955 /nfs/dbraw/zinc/54/29/55/986542955.db2.gz ALCQNEQLMNBWLS-SECBINFHSA-N 0 2 249.207 2.955 20 0 BFADLN NC(=O)Cc1ccccc1-c1ccccc1S ZINC001245448267 986851116 /nfs/dbraw/zinc/85/11/16/986851116.db2.gz PRFJTMDPFLKRDP-UHFFFAOYSA-N 0 2 243.331 2.670 20 0 BFADLN Cc1nc(-n2[nH]c(C3CC3)cc2=O)sc1C ZINC001245910642 987135092 /nfs/dbraw/zinc/13/50/92/987135092.db2.gz LFRNXGKNOUARGM-UHFFFAOYSA-N 0 2 235.312 2.529 20 0 BFADLN CCCN1N=C(c2cccc(OC)c2)CC1=O ZINC001245918888 987162491 /nfs/dbraw/zinc/16/24/91/987162491.db2.gz FOCQLBUTTFTOAZ-UHFFFAOYSA-N 0 2 232.283 2.674 20 0 BFADLN CCCn1[nH]c(-c2cccc(OC)c2)cc1=O ZINC001245918888 987162495 /nfs/dbraw/zinc/16/24/95/987162495.db2.gz FOCQLBUTTFTOAZ-UHFFFAOYSA-N 0 2 232.283 2.674 20 0 BFADLN Cc1ccccc1-c1cc(=O)n(CC2CC2)[nH]1 ZINC001245936793 987205489 /nfs/dbraw/zinc/20/54/89/987205489.db2.gz STWOGICKXVMDRV-UHFFFAOYSA-N 0 2 228.295 2.974 20 0 BFADLN CC[C@@H](C)N1N=C(c2cccc(O)c2)CC1=O ZINC001245940140 987209820 /nfs/dbraw/zinc/20/98/20/987209820.db2.gz VSDRLSCQGVJWFH-SECBINFHSA-N 0 2 232.283 2.932 20 0 BFADLN CC[C@@H](C)n1[nH]c(-c2cccc(O)c2)cc1=O ZINC001245940140 987209836 /nfs/dbraw/zinc/20/98/36/987209836.db2.gz VSDRLSCQGVJWFH-SECBINFHSA-N 0 2 232.283 2.932 20 0 BFADLN O=c1cc(-c2ccsc2)[nH]n1-c1ccncc1 ZINC001245949077 987223206 /nfs/dbraw/zinc/22/32/06/987223206.db2.gz NHZFJYIGXPYMSH-UHFFFAOYSA-N 0 2 243.291 2.701 20 0 BFADLN Cc1ccc(C2=NN(CC(C)C)C(=O)C2)cn1 ZINC001245950201 987236442 /nfs/dbraw/zinc/23/64/42/987236442.db2.gz XRWJDGCHBCKISZ-UHFFFAOYSA-N 0 2 231.299 2.615 20 0 BFADLN Cc1ccc(-c2cc(=O)n(CC(C)C)[nH]2)cn1 ZINC001245950201 987236454 /nfs/dbraw/zinc/23/64/54/987236454.db2.gz XRWJDGCHBCKISZ-UHFFFAOYSA-N 0 2 231.299 2.615 20 0 BFADLN CC[C@@H]1C[C@H]1CNc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001597301300 987410891 /nfs/dbraw/zinc/41/08/91/987410891.db2.gz PJGFQKRSUGJNQF-ZJUUUORDSA-N 0 2 234.299 2.546 20 0 BFADLN CCc1cn(Cc2ccc(C)c(C(=O)[O-])c2)c[nH+]1 ZINC001597625737 988574195 /nfs/dbraw/zinc/57/41/95/988574195.db2.gz GGRPTVZGXSNBQA-UHFFFAOYSA-N 0 2 244.294 2.500 20 0 BFADLN CC(C)(C)[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001518812843 989339206 /nfs/dbraw/zinc/33/92/06/989339206.db2.gz FLDGPTRKJQTXCT-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)(C)[C@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001518812843 989339219 /nfs/dbraw/zinc/33/92/19/989339219.db2.gz FLDGPTRKJQTXCT-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)([NH2+]Cc1cc(C(=O)[O-])cs1)C(F)F ZINC001590871504 990778196 /nfs/dbraw/zinc/77/81/96/990778196.db2.gz XIMKRUKDEUBENH-UHFFFAOYSA-N 0 2 249.282 2.580 20 0 BFADLN CCc1cccc(C)c1NS(=O)(=O)C(F)F ZINC001259957792 992056848 /nfs/dbraw/zinc/05/68/48/992056848.db2.gz BKYTYRGQLWVANZ-UHFFFAOYSA-N 0 2 249.282 2.522 20 0 BFADLN CN(C(=O)c1cccc(S)c1)C(C)(C)C ZINC000382240987 993445605 /nfs/dbraw/zinc/44/56/05/993445605.db2.gz IVLIHAOHZLPDSQ-UHFFFAOYSA-N 0 2 223.341 2.846 20 0 BFADLN CNc1ccc([NH2+]C2CCC(C(=O)[O-])CC2)cc1 ZINC001598680701 994924309 /nfs/dbraw/zinc/92/43/09/994924309.db2.gz SOVLKFHWJIGKNQ-UHFFFAOYSA-N 0 2 248.326 2.784 20 0 BFADLN O=C([O-])c1ccc(N[C@@H]2CC23CCCCC3)[nH+]c1 ZINC000386979732 398224239 /nfs/dbraw/zinc/22/42/39/398224239.db2.gz IDLITKXGRYXWBJ-LLVKDONJSA-N 0 2 246.310 2.915 20 0 BFADLN Cc1cc2[nH+]cn(CCCCC(=O)[O-])c2cc1C ZINC000020474396 178305197 /nfs/dbraw/zinc/30/51/97/178305197.db2.gz OSFVMAYBEJVKPZ-UHFFFAOYSA-N 0 2 246.310 2.908 20 0 BFADLN Cc1ccc(N2N=C3[C@H](C)CC[C@H]3C2=O)cc1 ZINC000634583157 342800420 /nfs/dbraw/zinc/80/04/20/342800420.db2.gz MSFPACZPNYQKLJ-ZYHUDNBSSA-N 0 2 228.295 2.744 20 0 BFADLN C/C=C\CNc1nc(C2CCCC2)ns1 ZINC000624655961 342809848 /nfs/dbraw/zinc/80/98/48/342809848.db2.gz AYVYNAMETWBROJ-IHWYPQMZSA-N 0 2 223.345 2.606 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CCC2(C)C)n1 ZINC000379957689 538982826 /nfs/dbraw/zinc/98/28/26/538982826.db2.gz LYVRINXWPRQUDC-MRVPVSSYSA-N 0 2 225.361 2.684 20 0 BFADLN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3F)N=C12 ZINC000634587212 342931084 /nfs/dbraw/zinc/93/10/84/342931084.db2.gz HYLOUZVOFNWPJT-BDAKNGLRSA-N 0 2 232.258 2.574 20 0 BFADLN CCCCn1[nH]c2c(c1=O)CCCCCC2 ZINC000634585941 342929035 /nfs/dbraw/zinc/92/90/35/342929035.db2.gz WZCZPXPRESTTDF-LLVKDONJSA-N 0 2 222.332 2.955 20 0 BFADLN CSc1ccc(N2N=C(C)[C@H](C)C2=O)cc1 ZINC000634594055 342953315 /nfs/dbraw/zinc/95/33/15/342953315.db2.gz JGPVUXZBYJCSNQ-QMMMGPOBSA-N 0 2 234.324 2.767 20 0 BFADLN CC1=NN(c2nccc3sccc32)C(=O)[C@H]1C ZINC000634596323 342965876 /nfs/dbraw/zinc/96/58/76/342965876.db2.gz CENJCBRMAMLRKU-ZETCQYMHSA-N 0 2 245.307 2.655 20 0 BFADLN CCC1=NN([C@H]2CCC[C@H](C)C2)C(=O)C1 ZINC000634599933 342990737 /nfs/dbraw/zinc/99/07/37/342990737.db2.gz SLBLZINQHLKWBD-ONGXEEELSA-N 0 2 208.305 2.563 20 0 BFADLN CCCCC1=NN(c2ccc(C)cn2)C(=O)[C@@H]1C ZINC000634598925 342982693 /nfs/dbraw/zinc/98/26/93/342982693.db2.gz WENQDFWKRHWTDA-LLVKDONJSA-N 0 2 245.326 2.919 20 0 BFADLN C[C@H](c1ccccc1)n1[nH]c2c(c1=O)CCC2 ZINC000634599761 342988945 /nfs/dbraw/zinc/98/89/45/342988945.db2.gz PMUYPQCBNPLGDW-ZYHUDNBSSA-N 0 2 228.295 2.746 20 0 BFADLN CCCCC1=NN(c2ncccc2F)C(=O)[C@@H]1C ZINC000634605519 342999606 /nfs/dbraw/zinc/99/96/06/342999606.db2.gz OLRZBLCZTNWKLV-SECBINFHSA-N 0 2 249.289 2.750 20 0 BFADLN CCC1=NN(c2cc(C)ccc2F)C(=O)[C@@H]1C ZINC000634611169 343008368 /nfs/dbraw/zinc/00/83/68/343008368.db2.gz PEFBWSBETNLOQZ-SECBINFHSA-N 0 2 234.274 2.883 20 0 BFADLN Cc1ccc(N2N=C3[C@@H](CC[C@@H]3C)C2=O)cc1F ZINC000634614595 343012080 /nfs/dbraw/zinc/01/20/80/343012080.db2.gz HDIFEXJSRPMBDS-GXSJLCMTSA-N 0 2 246.285 2.883 20 0 BFADLN CCCCC1=NN(c2ccncc2F)C(=O)[C@@H]1C ZINC000634633615 343046247 /nfs/dbraw/zinc/04/62/47/343046247.db2.gz BRVIDCQDGJJPRE-SECBINFHSA-N 0 2 249.289 2.750 20 0 BFADLN Cc1cnccc1C(=O)N(C)[C@@H](C)C1CCC1 ZINC000350552750 136361816 /nfs/dbraw/zinc/36/18/16/136361816.db2.gz FAYULZLMYZEJLX-NSHDSACASA-N 0 2 232.327 2.651 20 0 BFADLN O=[S@](CC[C@H]1CCCCO1)c1cccs1 ZINC000350552825 136361963 /nfs/dbraw/zinc/36/19/63/136361963.db2.gz GXRDVTXBJBGKQO-MEBBXXQBSA-N 0 2 244.381 2.815 20 0 BFADLN CC(C)[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000351103840 136368093 /nfs/dbraw/zinc/36/80/93/136368093.db2.gz RTUOUZDSIXRWKY-AWEZNQCLSA-N 0 2 237.318 2.683 20 0 BFADLN CCCc1nsc(N[C@@H]2C[C@H]2C2CCC2)n1 ZINC000425271660 192087083 /nfs/dbraw/zinc/08/70/83/192087083.db2.gz IYLVTWJUHVCFRW-VHSXEESVSA-N 0 2 237.372 2.513 20 0 BFADLN Cc1cccc(CNC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000277412044 179086961 /nfs/dbraw/zinc/08/69/61/179086961.db2.gz LTBJLFRXUMMEJR-SECBINFHSA-N 0 2 249.207 2.512 20 0 BFADLN Cc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000277412044 179086965 /nfs/dbraw/zinc/08/69/65/179086965.db2.gz LTBJLFRXUMMEJR-SECBINFHSA-N 0 2 249.207 2.512 20 0 BFADLN Cc1n[nH]c(=NC[C@@H]2CCC[C@@H]2C2CC2)s1 ZINC000413486342 191387943 /nfs/dbraw/zinc/38/79/43/191387943.db2.gz YBTDPQUTTYBBDO-WDEREUQCSA-N 0 2 237.372 2.507 20 0 BFADLN CC[N@H+](CC1CC1)c1cccc(C(=O)[O-])c1 ZINC000227675807 358361607 /nfs/dbraw/zinc/36/16/07/358361607.db2.gz AOVLPVPLLRMLHT-UHFFFAOYSA-N 0 2 219.284 2.621 20 0 BFADLN CC[N@@H+](CC1CC1)c1cccc(C(=O)[O-])c1 ZINC000227675807 358361610 /nfs/dbraw/zinc/36/16/10/358361610.db2.gz AOVLPVPLLRMLHT-UHFFFAOYSA-N 0 2 219.284 2.621 20 0 BFADLN CC[C@@H](C)N(C)C(=O)c1c(O)cc(F)cc1F ZINC000081808965 491136503 /nfs/dbraw/zinc/13/65/03/491136503.db2.gz WFTOIYJPUJGIFD-SSDOTTSWSA-N 0 2 243.253 2.541 20 0 BFADLN CC[C@H](C)N(C)C(=O)c1c(O)cc(F)cc1F ZINC000081808968 491136509 /nfs/dbraw/zinc/13/65/09/491136509.db2.gz WFTOIYJPUJGIFD-ZETCQYMHSA-N 0 2 243.253 2.541 20 0 BFADLN CCCC1=NN(CCc2ccccc2)C(=O)C1 ZINC000614188886 363749702 /nfs/dbraw/zinc/74/97/02/363749702.db2.gz FORYEVVTSJLBER-UHFFFAOYSA-N 0 2 230.311 2.618 20 0 BFADLN O=C([O-])c1cccc(N2CCCC3(CC3)CC2)[nH+]1 ZINC000629769395 361691993 /nfs/dbraw/zinc/69/19/93/361691993.db2.gz ISUQEQDRYFAWGZ-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN CC(C)c1nsc(N[C@H]2CC23CCCC3)n1 ZINC000381128745 367353122 /nfs/dbraw/zinc/35/31/22/367353122.db2.gz KCDULFMSEQSZCG-VIFPVBQESA-N 0 2 237.372 2.828 20 0 BFADLN C[C@H](N=c1[nH]ncs1)[C@H]1CC2CCC1CC2 ZINC000382137349 367489801 /nfs/dbraw/zinc/48/98/01/367489801.db2.gz NGJCAVRDGLVXIJ-IDWGSYCQSA-N 0 2 237.372 2.587 20 0 BFADLN Cc1nc(=N[C@@H](C)c2cccc(C)c2)s[nH]1 ZINC000381570497 367431200 /nfs/dbraw/zinc/43/12/00/367431200.db2.gz WWTGYXZIAUWNDY-VIFPVBQESA-N 0 2 233.340 2.750 20 0 BFADLN Cc1ccoc1CN=c1nc(C2(C)CC2)[nH]s1 ZINC000630956073 368149272 /nfs/dbraw/zinc/14/92/72/368149272.db2.gz JZMXXABKAZWXDG-UHFFFAOYSA-N 0 2 249.339 2.525 20 0 BFADLN CC(C)c1n[nH]c(=NCC[C@H]2CC2(F)F)s1 ZINC000621345417 370278741 /nfs/dbraw/zinc/27/87/41/370278741.db2.gz LKGLKOWMAFUYIF-ZETCQYMHSA-N 0 2 247.314 2.541 20 0 BFADLN C[C@H]1CCCC[C@H]1Nc1[nH+]cccc1C(=O)[O-] ZINC000020000250 371215533 /nfs/dbraw/zinc/21/55/33/371215533.db2.gz WKWDPQCMTIJIJA-GXSJLCMTSA-N 0 2 234.299 2.770 20 0 BFADLN Cc1ccccc1[C@H](C)Sc1n[nH]c(=O)[nH]1 ZINC000194628703 206101627 /nfs/dbraw/zinc/10/16/27/206101627.db2.gz NRRHRZHCIFMYAM-QMMMGPOBSA-N 0 2 235.312 2.672 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000403372515 384644029 /nfs/dbraw/zinc/64/40/29/384644029.db2.gz JQBWOOAWIVQEOA-OPRDCNLKSA-N 0 2 237.372 2.684 20 0 BFADLN Cc1nsc(NC[C@@H]2CCCCC2(F)F)n1 ZINC000336232818 385056034 /nfs/dbraw/zinc/05/60/34/385056034.db2.gz ZIWUZEJXLCHDCQ-QMMMGPOBSA-N 0 2 247.314 2.506 20 0 BFADLN CC[C@]1(C)CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647450870 385033435 /nfs/dbraw/zinc/03/34/35/385033435.db2.gz BHZGVWPWHBBLGH-CQSZACIVSA-N 0 2 248.326 2.796 20 0 BFADLN O=C([O-])c1ccc(NC2CCC3(CC3)CC2)[nH+]c1 ZINC000647453881 385041968 /nfs/dbraw/zinc/04/19/68/385041968.db2.gz XJJKKPKIIFMUOT-UHFFFAOYSA-N 0 2 246.310 2.915 20 0 BFADLN CONC(=O)C1(c2cccs2)CCCCC1 ZINC000155612038 385399762 /nfs/dbraw/zinc/39/97/62/385399762.db2.gz LWFRLSSBVRDRED-UHFFFAOYSA-N 0 2 239.340 2.628 20 0 BFADLN CC[N@H+](CCCCC(=O)[O-])c1ccccc1 ZINC000020474666 385471232 /nfs/dbraw/zinc/47/12/32/385471232.db2.gz KIPPSXUHWAXOKH-UHFFFAOYSA-N 0 2 221.300 2.768 20 0 BFADLN CC[N@@H+](CCCCC(=O)[O-])c1ccccc1 ZINC000020474666 385471234 /nfs/dbraw/zinc/47/12/34/385471234.db2.gz KIPPSXUHWAXOKH-UHFFFAOYSA-N 0 2 221.300 2.768 20 0 BFADLN CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000181052277 385560926 /nfs/dbraw/zinc/56/09/26/385560926.db2.gz HVTZEZPXXUUXLF-BDAKNGLRSA-N 0 2 246.314 2.579 20 0 BFADLN CC(C)Cc1nsc(N[C@H]2CCC2(C)C)n1 ZINC000336692303 385734730 /nfs/dbraw/zinc/73/47/30/385734730.db2.gz XEFROBPXYNREPP-VIFPVBQESA-N 0 2 239.388 2.759 20 0 BFADLN CCONC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000263850126 386183900 /nfs/dbraw/zinc/18/39/00/386183900.db2.gz YKCPKKDKKVLSID-UHFFFAOYSA-N 0 2 247.338 2.875 20 0 BFADLN C[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)C(C)(C)C ZINC000268415066 386650792 /nfs/dbraw/zinc/65/07/92/386650792.db2.gz JFZCOZLLAATVFW-QMMMGPOBSA-N 0 2 246.314 2.579 20 0 BFADLN CCCc1nsc(N[C@@H]2CCC[C@@H](F)C2)n1 ZINC000515379414 387370957 /nfs/dbraw/zinc/37/09/57/387370957.db2.gz XPBAJQQTJQMMAQ-RKDXNWHRSA-N 0 2 243.351 2.605 20 0 BFADLN CC(C)(C)c1nsc(NCC2CC=CC2)n1 ZINC000528112630 387847986 /nfs/dbraw/zinc/84/79/86/387847986.db2.gz DAARIIUUAZHMJA-UHFFFAOYSA-N 0 2 237.372 2.636 20 0 BFADLN CC(C)(C)c1nc(=NCC2CC=CC2)s[nH]1 ZINC000528112630 387847988 /nfs/dbraw/zinc/84/79/88/387847988.db2.gz DAARIIUUAZHMJA-UHFFFAOYSA-N 0 2 237.372 2.636 20 0 BFADLN Cc1nc(=N[C@@H]2CCc3ccc(F)cc32)s[nH]1 ZINC000524689317 388374914 /nfs/dbraw/zinc/37/49/14/388374914.db2.gz JSVISEBGPHPETF-LLVKDONJSA-N 0 2 249.314 2.507 20 0 BFADLN CCC[C@H](C)CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000175829566 388442003 /nfs/dbraw/zinc/44/20/03/388442003.db2.gz IINGHDYLAGFEGV-VIFPVBQESA-N 0 2 246.314 2.723 20 0 BFADLN CCc1cccc2c1[N@H+](CCCC(=O)[O-])CCC2 ZINC000121417189 132224675 /nfs/dbraw/zinc/22/46/75/132224675.db2.gz NDXXRCPPAODKMN-UHFFFAOYSA-N 0 2 247.338 2.866 20 0 BFADLN CCc1cccc2c1[N@@H+](CCCC(=O)[O-])CCC2 ZINC000121417189 132224676 /nfs/dbraw/zinc/22/46/76/132224676.db2.gz NDXXRCPPAODKMN-UHFFFAOYSA-N 0 2 247.338 2.866 20 0 BFADLN Clc1ccc(CSCc2cnn[nH]2)cc1 ZINC000352168767 134090685 /nfs/dbraw/zinc/09/06/85/134090685.db2.gz WTOUUVHUWDBSLN-UHFFFAOYSA-N 0 2 239.731 2.892 20 0 BFADLN C[C@H]1CN(c2cccc(C(=O)[O-])[nH+]2)CC(C)(C)C1 ZINC000263411347 135351897 /nfs/dbraw/zinc/35/18/97/135351897.db2.gz MKTNYWGFDVQEDY-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN Cc1cnc(NCCc2ccco2)s1 ZINC000306287432 135370096 /nfs/dbraw/zinc/37/00/96/135370096.db2.gz HCBGUOPQLAVPSL-UHFFFAOYSA-N 0 2 208.286 2.699 20 0 BFADLN F[C@H]1CCC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000335377861 136086520 /nfs/dbraw/zinc/08/65/20/136086520.db2.gz FMBYDHMORLFGRK-DTWKUNHWSA-N 0 2 241.335 2.530 20 0 BFADLN CCCC[C@@H](C)N(C)c1ccc(C(=O)[O-])c[nH+]1 ZINC000383774531 398038737 /nfs/dbraw/zinc/03/87/37/398038737.db2.gz NXNQNYUYUYIRAE-SNVBAGLBSA-N 0 2 236.315 2.795 20 0 BFADLN CCC1=NN(c2cccc(F)c2)C(=O)[C@@H]1C ZINC000110454868 410205713 /nfs/dbraw/zinc/20/57/13/410205713.db2.gz XRNNUSFOJNJLMB-MRVPVSSYSA-N 0 2 220.247 2.574 20 0 BFADLN C[C@@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C[C@@H](C)C1 ZINC000650765529 410416592 /nfs/dbraw/zinc/41/65/92/410416592.db2.gz ULYRWZVTEIRILH-MNOVXSKESA-N 0 2 248.326 2.652 20 0 BFADLN O=C([O-])c1ccc(N[C@@H](C2CC2)C2CCC2)[nH+]c1 ZINC000324447764 487616331 /nfs/dbraw/zinc/61/63/31/487616331.db2.gz DAHAUSDMUOKYCS-CYBMUJFWSA-N 0 2 246.310 2.770 20 0 BFADLN CC(C)[C@]1(C)C[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000397194773 410915444 /nfs/dbraw/zinc/91/54/44/410915444.db2.gz QVPRKOHIYKUYHT-MFKMUULPSA-N 0 2 234.299 2.626 20 0 BFADLN CC[C@@H](C)[C@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000042559488 411016462 /nfs/dbraw/zinc/01/64/62/411016462.db2.gz OPAGHUPLUTZCTI-BDAKNGLRSA-N 0 2 222.288 2.626 20 0 BFADLN CC[C@@H](C)[C@@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000042559483 411016942 /nfs/dbraw/zinc/01/69/42/411016942.db2.gz OPAGHUPLUTZCTI-RKDXNWHRSA-N 0 2 222.288 2.626 20 0 BFADLN CC[C@H](C)[C@@H](C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000042559521 411017088 /nfs/dbraw/zinc/01/70/88/411017088.db2.gz WOIPHHJBHAROEB-DTWKUNHWSA-N 0 2 222.288 2.626 20 0 BFADLN CC[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000042559518 411017134 /nfs/dbraw/zinc/01/71/34/411017134.db2.gz WOIPHHJBHAROEB-RKDXNWHRSA-N 0 2 222.288 2.626 20 0 BFADLN CC(C)C1CC1CNC(=O)N1C2CCC1CC2 ZINC000656194469 411199882 /nfs/dbraw/zinc/19/98/82/411199882.db2.gz VBWMJBJQXAUXGG-WTIISPKJSA-N 0 2 236.359 2.615 20 0 BFADLN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccco1 ZINC000271447664 411430694 /nfs/dbraw/zinc/43/06/94/411430694.db2.gz DADASVWLYMIRHN-ONGXEEELSA-N 0 2 231.299 2.731 20 0 BFADLN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccco1 ZINC000271447663 411430804 /nfs/dbraw/zinc/43/08/04/411430804.db2.gz DADASVWLYMIRHN-MWLCHTKSSA-N 0 2 231.299 2.731 20 0 BFADLN C[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000019845097 177083697 /nfs/dbraw/zinc/08/36/97/177083697.db2.gz YYGIJQKCONGPJR-ONGXEEELSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1C[C@@H]1CNc1nc(-c2ccccc2)ns1 ZINC000475355574 225135413 /nfs/dbraw/zinc/13/54/13/225135413.db2.gz PRGAXGXLAKSDLY-GXSJLCMTSA-N 0 2 245.351 2.695 20 0 BFADLN Cc1nc(OC2CCC(C)CC2)c(F)c(=O)[nH]1 ZINC001226420499 974892252 /nfs/dbraw/zinc/89/22/52/974892252.db2.gz JUNLHIMVAYSDKN-UHFFFAOYSA-N 0 2 240.278 2.587 20 0 BFADLN C[C@H]1CC[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000253136179 487856281 /nfs/dbraw/zinc/85/62/81/487856281.db2.gz SADSUXBOXCKNPW-HOMQSWHASA-N 0 2 234.299 2.770 20 0 BFADLN C[C@@H]1CC[N@H+](Cc2c[nH+]c[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000684617694 487946326 /nfs/dbraw/zinc/94/63/26/487946326.db2.gz WBMPXOWRTTWLIB-KWCYVHTRSA-N 0 2 233.359 2.810 20 0 BFADLN C[C@@H]1CC[N@@H+](Cc2c[nH+]c[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000684617694 487946330 /nfs/dbraw/zinc/94/63/30/487946330.db2.gz WBMPXOWRTTWLIB-KWCYVHTRSA-N 0 2 233.359 2.810 20 0 BFADLN CC(C)C[C@H](CNc1cccc[nH+]1)CC(=O)[O-] ZINC000652535068 487957665 /nfs/dbraw/zinc/95/76/65/487957665.db2.gz YOBKEKVGPGZZGC-NSHDSACASA-N 0 2 236.315 2.631 20 0 BFADLN C(N=c1[nH]nc(C2CC2)s1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000528073411 323758983 /nfs/dbraw/zinc/75/89/83/323758983.db2.gz RVRYSAQTXGMTPV-IEBDPFPHSA-N 0 2 249.383 2.686 20 0 BFADLN CC(C)(C)c1nc(=N[C@@H]2CC23CCCCC3)[nH]o1 ZINC000546762356 325309718 /nfs/dbraw/zinc/30/97/18/325309718.db2.gz MHPRFXGYOVMBNV-SNVBAGLBSA-N 0 2 249.358 2.924 20 0 BFADLN CC(C)(C)c1nc(=NCC2CC(C)(C)C2)[nH]o1 ZINC000548364791 325450757 /nfs/dbraw/zinc/45/07/57/325450757.db2.gz NQYIRPFSSSYUIO-UHFFFAOYSA-N 0 2 237.347 2.637 20 0 BFADLN CC[C@@H]1CCCCN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000037083669 488021548 /nfs/dbraw/zinc/02/15/48/488021548.db2.gz WDJOHYDTWWJDTG-SNVBAGLBSA-N 0 2 234.299 2.549 20 0 BFADLN Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)n1C ZINC000667590051 488053425 /nfs/dbraw/zinc/05/34/25/488053425.db2.gz JYFNYVJKNPEYRX-CYBMUJFWSA-N 0 2 235.375 2.739 20 0 BFADLN C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H](C)C1 ZINC000667694837 488090757 /nfs/dbraw/zinc/09/07/57/488090757.db2.gz AGRAVXBSQOMCBE-OLZOCXBDSA-N 0 2 247.386 2.697 20 0 BFADLN Cc1ccc([C@H](C)C(=O)NOCC2CCC2)o1 ZINC000856348218 588868870 /nfs/dbraw/zinc/86/88/70/588868870.db2.gz VAWAWWPTRHDFPG-JTQLQIEISA-N 0 2 237.299 2.539 20 0 BFADLN Cc1[nH]nc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000894444365 583461315 /nfs/dbraw/zinc/46/13/15/583461315.db2.gz HUWNMJRMAXFIIS-JTQLQIEISA-N 0 2 235.375 2.895 20 0 BFADLN O=C(NC1CCC=CCC1)[C@@H](F)C(F)(F)F ZINC000895217340 583627851 /nfs/dbraw/zinc/62/78/51/583627851.db2.gz QKZQTFHESGXZBR-MRVPVSSYSA-N 0 2 239.212 2.502 20 0 BFADLN O=C(NC1CCC=CCC1)C(F)C(F)(F)F ZINC000895217340 583627852 /nfs/dbraw/zinc/62/78/52/583627852.db2.gz QKZQTFHESGXZBR-MRVPVSSYSA-N 0 2 239.212 2.502 20 0 BFADLN Cc1ccc2cc[nH+]c(NC[C@@H]3CC[N@H+]3C)c2c1 ZINC000895769216 583724408 /nfs/dbraw/zinc/72/44/08/583724408.db2.gz OJYPGNFYKUKPTJ-ZDUSSCGKSA-N 0 2 241.338 2.659 20 0 BFADLN Cc1ccc([NH2+]C[C@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000901718652 584483433 /nfs/dbraw/zinc/48/34/33/584483433.db2.gz VTZJBJMAEHCEEG-NXEZZACHSA-N 0 2 219.284 2.761 20 0 BFADLN CC[C@H](C)C[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901717006 584488337 /nfs/dbraw/zinc/48/83/37/584488337.db2.gz NAZVUXAGBKVDJX-JTQLQIEISA-N 0 2 237.299 2.608 20 0 BFADLN COc1ccc([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])c(C)c1 ZINC000902100725 584525618 /nfs/dbraw/zinc/52/56/18/584525618.db2.gz HMKSYSPCBJJLKI-USWWRNFRSA-N 0 2 249.310 2.525 20 0 BFADLN C[C@@H]1C[C@H](Nc2cccc(C3CC3)[nH+]2)CC[N@H+]1C ZINC000903267534 584741312 /nfs/dbraw/zinc/74/13/12/584741312.db2.gz CPQHOQFVFFHNAF-DGCLKSJQSA-N 0 2 245.370 2.854 20 0 BFADLN C[C@@]1(NC(=O)[C@H](F)C(F)(F)F)CC=CCC1 ZINC000838318940 585053668 /nfs/dbraw/zinc/05/36/68/585053668.db2.gz XIOYYOFGCGIQMW-IONNQARKSA-N 0 2 239.212 2.502 20 0 BFADLN C[C@@]1(NC(=O)C(F)C(F)(F)F)CC=CCC1 ZINC000838318940 585053669 /nfs/dbraw/zinc/05/36/69/585053669.db2.gz XIOYYOFGCGIQMW-IONNQARKSA-N 0 2 239.212 2.502 20 0 BFADLN CCCN(C(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC000839299984 585100938 /nfs/dbraw/zinc/10/09/38/585100938.db2.gz MQTNNLYDEFPDCL-ZETCQYMHSA-N 0 2 243.244 2.924 20 0 BFADLN CCCN(C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000839299984 585100939 /nfs/dbraw/zinc/10/09/39/585100939.db2.gz MQTNNLYDEFPDCL-ZETCQYMHSA-N 0 2 243.244 2.924 20 0 BFADLN CC(C)CCOC(=O)c1cc(F)c(O)c(F)c1 ZINC000748482266 585193179 /nfs/dbraw/zinc/19/31/79/585193179.db2.gz LXIKQLBYCDDMAE-UHFFFAOYSA-N 0 2 244.237 2.873 20 0 BFADLN CC[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC000763897235 585456670 /nfs/dbraw/zinc/45/66/70/585456670.db2.gz XBAIDQRNKFXYEN-YUMQZZPRSA-N 0 2 241.228 2.678 20 0 BFADLN CC[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000763897235 585456671 /nfs/dbraw/zinc/45/66/71/585456671.db2.gz XBAIDQRNKFXYEN-YUMQZZPRSA-N 0 2 241.228 2.678 20 0 BFADLN CC[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000764250620 585462858 /nfs/dbraw/zinc/46/28/58/585462858.db2.gz CGRLJMFJDVINDM-HTQZYQBOSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000764250620 585462859 /nfs/dbraw/zinc/46/28/59/585462859.db2.gz CGRLJMFJDVINDM-HTQZYQBOSA-N 0 2 241.228 2.535 20 0 BFADLN CCCCS[C@@H](C)C(=O)NOC1CCCC1 ZINC000774875903 585668061 /nfs/dbraw/zinc/66/80/61/585668061.db2.gz XQSOZLMTXAUVLX-JTQLQIEISA-N 0 2 245.388 2.899 20 0 BFADLN CCC(CC)NC(=O)c1cccc(Cl)c1O ZINC000775636442 585682104 /nfs/dbraw/zinc/68/21/04/585682104.db2.gz BVZZSXKXPRKMJJ-UHFFFAOYSA-N 0 2 241.718 2.964 20 0 BFADLN CCCCCNC(=O)c1cccc(Cl)c1O ZINC000775630049 585682124 /nfs/dbraw/zinc/68/21/24/585682124.db2.gz JHALFZXBPAPQSV-UHFFFAOYSA-N 0 2 241.718 2.966 20 0 BFADLN C[C@H](NC(=O)c1cccc(Cl)c1O)C1CC1 ZINC000775646116 585682599 /nfs/dbraw/zinc/68/25/99/585682599.db2.gz GRLZXPPWPAKDLO-ZETCQYMHSA-N 0 2 239.702 2.574 20 0 BFADLN CC[C@](C)([NH2+]Cc1csnn1)c1ccccc1 ZINC000776185489 585691956 /nfs/dbraw/zinc/69/19/56/585691956.db2.gz LWYPMHUTTIDNKC-ZDUSSCGKSA-N 0 2 247.367 2.953 20 0 BFADLN CC(C)(C)SCC(=O)NOC1CCCCC1 ZINC000777960095 585724522 /nfs/dbraw/zinc/72/45/22/585724522.db2.gz POECRFUVIVGJOA-UHFFFAOYSA-N 0 2 245.388 2.899 20 0 BFADLN C[C@H](N(C)C(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC000810062571 586533125 /nfs/dbraw/zinc/53/31/25/586533125.db2.gz GMUFIWCHXVLGTQ-BQBZGAKWSA-N 0 2 243.244 2.780 20 0 BFADLN C[C@H](N(C)C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810062571 586533126 /nfs/dbraw/zinc/53/31/26/586533126.db2.gz GMUFIWCHXVLGTQ-BQBZGAKWSA-N 0 2 243.244 2.780 20 0 BFADLN C[C@@H]1CC[C@@H](C)N(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000810460276 586539754 /nfs/dbraw/zinc/53/97/54/586539754.db2.gz VUJRXGLORAMSIN-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CC[C@@H](C)N(C(=O)C(F)C(F)(F)F)C1 ZINC000810460276 586539755 /nfs/dbraw/zinc/53/97/55/586539755.db2.gz VUJRXGLORAMSIN-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810527528 586540057 /nfs/dbraw/zinc/54/00/57/586540057.db2.gz YQJIOZASAUDSBZ-APPZFPTMSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000810527528 586540058 /nfs/dbraw/zinc/54/00/58/586540058.db2.gz YQJIOZASAUDSBZ-APPZFPTMSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000810527610 586540108 /nfs/dbraw/zinc/54/01/08/586540108.db2.gz YQJIOZASAUDSBZ-IONNQARKSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000810527610 586540109 /nfs/dbraw/zinc/54/01/09/586540109.db2.gz YQJIOZASAUDSBZ-IONNQARKSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000810527530 586540167 /nfs/dbraw/zinc/54/01/67/586540167.db2.gz YQJIOZASAUDSBZ-CBAPKCEASA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000810527530 586540168 /nfs/dbraw/zinc/54/01/68/586540168.db2.gz YQJIOZASAUDSBZ-CBAPKCEASA-N 0 2 241.228 2.535 20 0 BFADLN CC1(C)CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810851854 586548128 /nfs/dbraw/zinc/54/81/28/586548128.db2.gz UQQADDAOERLSGY-NKWVEPMBSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810851854 586548129 /nfs/dbraw/zinc/54/81/29/586548129.db2.gz UQQADDAOERLSGY-NKWVEPMBSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000810851860 586548144 /nfs/dbraw/zinc/54/81/44/586548144.db2.gz UQQADDAOERLSGY-RQJHMYQMSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810851860 586548145 /nfs/dbraw/zinc/54/81/45/586548145.db2.gz UQQADDAOERLSGY-RQJHMYQMSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](CCC1CC1)NC(=O)[C@H](F)C(F)(F)F ZINC000811115673 586555372 /nfs/dbraw/zinc/55/53/72/586555372.db2.gz IZUZZHVUDOFKSE-SVRRBLITSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](CCC1CC1)NC(=O)C(F)C(F)(F)F ZINC000811115673 586555373 /nfs/dbraw/zinc/55/53/73/586555373.db2.gz IZUZZHVUDOFKSE-SVRRBLITSA-N 0 2 241.228 2.582 20 0 BFADLN CCN(CC(C)(C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000812756117 586583701 /nfs/dbraw/zinc/58/37/01/586583701.db2.gz PKGQVYHBPOODGT-SSDOTTSWSA-N 0 2 243.244 2.781 20 0 BFADLN CCN(CC(C)(C)C)C(=O)C(F)C(F)(F)F ZINC000812756117 586583702 /nfs/dbraw/zinc/58/37/02/586583702.db2.gz PKGQVYHBPOODGT-SSDOTTSWSA-N 0 2 243.244 2.781 20 0 BFADLN CC[C@@H](C)CONC(=O)CSCCC(C)C ZINC000816977040 586776887 /nfs/dbraw/zinc/77/68/87/586776887.db2.gz PIFDEOUVHYUERT-LLVKDONJSA-N 0 2 247.404 2.860 20 0 BFADLN CCS[C@H](C(=O)NOCCC1CC1)C(C)C ZINC000817388021 586800124 /nfs/dbraw/zinc/80/01/24/586800124.db2.gz NVINMWUPQRAADM-NSHDSACASA-N 0 2 245.388 2.612 20 0 BFADLN C[C@@H](F)CCNC(=O)c1cccc(Cl)c1O ZINC000818298539 586885315 /nfs/dbraw/zinc/88/53/15/586885315.db2.gz VSRFLANCHJUXIM-SSDOTTSWSA-N 0 2 245.681 2.524 20 0 BFADLN C[C@@]1(C(=O)NOc2ccc(F)cc2)C=CCC1 ZINC000824622318 587279699 /nfs/dbraw/zinc/27/96/99/587279699.db2.gz DAUQPWFDYAOHFM-CYBMUJFWSA-N 0 2 235.258 2.592 20 0 BFADLN Cc1ccc([NH2+]C[C@H]2CCCOC2)cc1C(=O)[O-] ZINC000832951127 587695359 /nfs/dbraw/zinc/69/53/59/587695359.db2.gz DZAYDPCDABXTJH-LLVKDONJSA-N 0 2 249.310 2.532 20 0 BFADLN Cc1ccc([NH2+]CC(C)C)cc1C(=O)[O-] ZINC000832951061 587695669 /nfs/dbraw/zinc/69/56/69/587695669.db2.gz BAKXHPCPRVPABI-UHFFFAOYSA-N 0 2 207.273 2.761 20 0 BFADLN CC(C)CONC(=O)[C@@]1(C)CCc2ccccc21 ZINC000843835622 588143974 /nfs/dbraw/zinc/14/39/74/588143974.db2.gz JKFAGCJFUIWYNC-HNNXBMFYSA-N 0 2 247.338 2.594 20 0 BFADLN CCCONC(=O)C1(c2ccccc2C)CCC1 ZINC000844087691 588165257 /nfs/dbraw/zinc/16/52/57/588165257.db2.gz DGSICASXGMXGMB-UHFFFAOYSA-N 0 2 247.338 2.875 20 0 BFADLN Cc1cc(-c2cc(=O)n(C3CCC3)[nH]2)ccc1F ZINC000871942629 589836618 /nfs/dbraw/zinc/83/66/18/589836618.db2.gz LQLPBHXSOFFXCV-UHFFFAOYSA-N 0 2 246.285 2.623 20 0 BFADLN O=C1CC(c2ccoc2)=NN1CC1CCCCC1 ZINC000871945061 589838807 /nfs/dbraw/zinc/83/88/07/589838807.db2.gz VVBAAWVPUWRYAJ-UHFFFAOYSA-N 0 2 246.310 2.796 20 0 BFADLN O=c1cc(-c2ccoc2)[nH]n1CC1CCCCC1 ZINC000871945061 589838808 /nfs/dbraw/zinc/83/88/08/589838808.db2.gz VVBAAWVPUWRYAJ-UHFFFAOYSA-N 0 2 246.310 2.796 20 0 BFADLN Cc1cc(F)ccc1N1N=C2[C@@H](CC[C@@H]2C)C1=O ZINC000871948710 589839272 /nfs/dbraw/zinc/83/92/72/589839272.db2.gz ZNKGRYLHYKUAGO-GZMMTYOYSA-N 0 2 246.285 2.883 20 0 BFADLN CC(C)CCC1=NN(C23CC(C2)C3)C(=O)C1 ZINC000871958387 589844551 /nfs/dbraw/zinc/84/45/51/589844551.db2.gz CORHHRKIFJUTJY-UHFFFAOYSA-N 0 2 220.316 2.563 20 0 BFADLN CC1=NN(c2cc(Cl)ccc2F)C(=O)[C@H]1C ZINC000871963250 589847412 /nfs/dbraw/zinc/84/74/12/589847412.db2.gz MROCPHHWDHJOSV-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2C(C)C)n1 ZINC000186985885 634090997 /nfs/dbraw/zinc/09/09/97/634090997.db2.gz KABNREAUKXBQEE-GMTAPVOTSA-N 0 2 248.351 2.920 20 0 BFADLN CC(C)(/C=C\Cl)NC(=O)C(F)C(F)(F)F ZINC000928928922 636524275 /nfs/dbraw/zinc/52/42/75/636524275.db2.gz HWGYZVQFDZGCET-CLBPYYFESA-N 0 2 247.619 2.534 20 0 BFADLN CC(C)(/C=C\Cl)NC(=O)[C@@H](F)C(F)(F)F ZINC000928928922 636524283 /nfs/dbraw/zinc/52/42/83/636524283.db2.gz HWGYZVQFDZGCET-CLBPYYFESA-N 0 2 247.619 2.534 20 0 BFADLN O=C([O-])c1ccc(N2CCC[C@H]3CCC[C@H]32)[nH+]c1 ZINC000228024103 640854834 /nfs/dbraw/zinc/85/48/34/640854834.db2.gz PUNSKNIJBHPFIX-ZYHUDNBSSA-N 0 2 246.310 2.549 20 0 BFADLN O=C(/C=C/c1cocn1)c1cc(Cl)ccc1O ZINC000191319790 641913753 /nfs/dbraw/zinc/91/37/53/641913753.db2.gz VERUWLLUHUVRFV-DUXPYHPUSA-N 0 2 249.653 2.930 20 0 BFADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CC2(C)C)n1 ZINC000151997510 643530086 /nfs/dbraw/zinc/53/00/86/643530086.db2.gz KBBIGCFVACVMDV-BDAKNGLRSA-N 0 2 234.324 2.674 20 0 BFADLN O=C([O-])c1ccc(N[C@@H]2CC23CCCC3)[nH+]c1 ZINC000386847141 711036686 /nfs/dbraw/zinc/03/66/86/711036686.db2.gz CDKCGBNVUARLCV-SNVBAGLBSA-N 0 2 232.283 2.524 20 0 BFADLN O=C([O-])c1ccc(NCCC2CC=CC2)[nH+]c1 ZINC000724217497 711570306 /nfs/dbraw/zinc/57/03/06/711570306.db2.gz QFDRDHYIGOVNEC-UHFFFAOYSA-N 0 2 232.283 2.548 20 0 BFADLN CC(C)(C)[C@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000160199505 711806073 /nfs/dbraw/zinc/80/60/73/711806073.db2.gz GCZUSPUWCRYWFU-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN Cc1cccc(C2(C(=O)NOC(C)C)CCC2)c1 ZINC000378998828 712367551 /nfs/dbraw/zinc/36/75/51/712367551.db2.gz APSSRUGMTHKZKI-UHFFFAOYSA-N 0 2 247.338 2.873 20 0 BFADLN Cc1nonc1Nc1ccc(Cl)nc1Cl ZINC001211272009 958132587 /nfs/dbraw/zinc/13/25/87/958132587.db2.gz ZKPZITCNNSXBLM-UHFFFAOYSA-N 0 2 245.069 2.823 20 0 BFADLN Cc1ccc(-c2cccc(Cl)c2[O-])[nH+]c1N ZINC001242364460 983658247 /nfs/dbraw/zinc/65/82/47/983658247.db2.gz DOKAJJRXWXYHGU-UHFFFAOYSA-N 0 2 234.686 2.998 20 0 BFADLN Cc1cnc(-c2cccc(Cl)c2O)cn1 ZINC001242362983 983655147 /nfs/dbraw/zinc/65/51/47/983655147.db2.gz ZDSLUKWPHYJVCB-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN CCC(CC)[C@@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225881844 974713633 /nfs/dbraw/zinc/71/36/33/974713633.db2.gz NVOSWAQXAIEEPX-SNVBAGLBSA-N 0 2 242.294 2.915 20 0 BFADLN CCC[C@@H](Oc1nc(=O)[nH]cc1F)C(C)C ZINC001225882958 974715821 /nfs/dbraw/zinc/71/58/21/974715821.db2.gz XOPNGMLOBWSBFG-SECBINFHSA-N 0 2 228.267 2.525 20 0 BFADLN Cc1occc1C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000321585958 970786503 /nfs/dbraw/zinc/78/65/03/970786503.db2.gz OWKWQPSJTVDKPD-ZDUSSCGKSA-N 0 2 245.278 2.504 20 0 BFADLN Cc1nnc(Nc2cc(F)ccc2Cl)o1 ZINC001216476791 971095245 /nfs/dbraw/zinc/09/52/45/971095245.db2.gz QRJNLUNNTNQYHS-UHFFFAOYSA-N 0 2 227.626 2.914 20 0 BFADLN Cc1n[nH]c(S[C@H]2CCCC[C@@H]2C)n1 ZINC001330148807 974133874 /nfs/dbraw/zinc/13/38/74/974133874.db2.gz BQMJBWDBAYQSTB-CBAPKCEASA-N 0 2 211.334 2.784 20 0 BFADLN Oc1cc(F)c(-c2nccc3[nH]cnc32)cc1F ZINC001206755262 956884298 /nfs/dbraw/zinc/88/42/98/956884298.db2.gz HBHGXFPOHMYPNX-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Cc1ccccc1[C@H]([NH2+]Cc1ccco1)C(=O)[O-] ZINC000212124481 959709959 /nfs/dbraw/zinc/70/99/59/959709959.db2.gz JXQJIZWDMMJWNB-ZDUSSCGKSA-N 0 2 245.278 2.504 20 0 BFADLN Cc1cnc(-c2cc(Cl)ccc2O)nc1 ZINC000715548487 967154532 /nfs/dbraw/zinc/15/45/32/967154532.db2.gz LCFHSXVVTLEICZ-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN Cc1ccnc(-c2cc(Cl)ccc2O)n1 ZINC000715769492 967598151 /nfs/dbraw/zinc/59/81/51/967598151.db2.gz DYHSOQPBHRVGAL-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN NC(=O)CCCCCc1cccc(S)c1 ZINC001250272705 967601571 /nfs/dbraw/zinc/60/15/71/967601571.db2.gz YPFZKOBDVCEBEP-UHFFFAOYSA-N 0 2 223.341 2.564 20 0 BFADLN Cc1nnc(Nc2cccnc2OC(C)(C)C)o1 ZINC001206480845 968332562 /nfs/dbraw/zinc/33/25/62/968332562.db2.gz HKLNFQJRORVIOV-UHFFFAOYSA-N 0 2 248.286 2.694 20 0 BFADLN CCCC[C@@H](O)CNc1ccccc1S ZINC001252100309 968583410 /nfs/dbraw/zinc/58/34/10/968583410.db2.gz RWSQTDNTDLCXGG-SNVBAGLBSA-N 0 2 225.357 2.938 20 0 BFADLN CCC[C@@H](O)CNc1ccc(S)cc1 ZINC001252793475 968975864 /nfs/dbraw/zinc/97/58/64/968975864.db2.gz OOUTUTDGNRJGRQ-SNVBAGLBSA-N 0 2 211.330 2.548 20 0 BFADLN Cc1ccc[nH+]c1Nc1cccc(CC(=O)[O-])c1 ZINC001210069508 969786288 /nfs/dbraw/zinc/78/62/88/969786288.db2.gz LVXKSZBDUVHABJ-UHFFFAOYSA-N 0 2 242.278 2.761 20 0 BFADLN Nc1c2c(nn1-c1cccc(S)c1)CCCC2 ZINC001210945030 970080975 /nfs/dbraw/zinc/08/09/75/970080975.db2.gz HCLXJZPDRMBYSX-UHFFFAOYSA-N 0 2 245.351 2.622 20 0 BFADLN Nc1cccc(-c2cccc([S-])c2)[nH+]1 ZINC001242865415 970115511 /nfs/dbraw/zinc/11/55/11/970115511.db2.gz DZJPCRNBTRNZNY-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN Cn1cnc2ccnc(-c3cccc(S)c3)c21 ZINC001242865839 970117571 /nfs/dbraw/zinc/11/75/71/970117571.db2.gz FHBZBPKCSXEBQD-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN CC(C)[C@H](C)OC(=O)c1cc(F)c(O)c(F)c1 ZINC001327453505 972578653 /nfs/dbraw/zinc/57/86/53/972578653.db2.gz QAUVKCCPCHAGFZ-ZETCQYMHSA-N 0 2 244.237 2.872 20 0 BFADLN C[C@H]1C[C@@H](Oc2ccc(S)cc2)CCO1 ZINC001225557983 974555440 /nfs/dbraw/zinc/55/54/40/974555440.db2.gz LWHPKLVKCXJUOI-ONGXEEELSA-N 0 2 224.325 2.922 20 0 BFADLN CC[C@H](C)[C@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225563965 974556430 /nfs/dbraw/zinc/55/64/30/974556430.db2.gz VZNAXAMAGYNFOX-BQBZGAKWSA-N 0 2 230.695 2.649 20 0 BFADLN CC[C@@H](C)[C@@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225563977 974557525 /nfs/dbraw/zinc/55/75/25/974557525.db2.gz VZNAXAMAGYNFOX-RNFRBKRXSA-N 0 2 230.695 2.649 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC001331295405 974673698 /nfs/dbraw/zinc/67/36/98/974673698.db2.gz LSDKPGVZDDPRPI-ZCFIWIBFSA-N 0 2 229.217 2.534 20 0 BFADLN CCN(C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C ZINC001331295405 974673702 /nfs/dbraw/zinc/67/37/02/974673702.db2.gz LSDKPGVZDDPRPI-ZCFIWIBFSA-N 0 2 229.217 2.534 20 0 BFADLN Cc1cc(S)ccc1O[C@H]1CCCOC1 ZINC001229634771 976923144 /nfs/dbraw/zinc/92/31/44/976923144.db2.gz MYULZNHHFCOATO-JTQLQIEISA-N 0 2 224.325 2.842 20 0 BFADLN Cc1ccc[nH+]c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216116 977333336 /nfs/dbraw/zinc/33/33/36/977333336.db2.gz YUPJQVCYFNLLRX-UHFFFAOYSA-N 0 2 246.241 2.971 20 0 BFADLN CCC[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001336141150 977537826 /nfs/dbraw/zinc/53/78/26/977537826.db2.gz KGXGRVOLDGQHDZ-JGVFFNPUSA-N 0 2 241.228 2.678 20 0 BFADLN CCC[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001336141150 977537837 /nfs/dbraw/zinc/53/78/37/977537837.db2.gz KGXGRVOLDGQHDZ-JGVFFNPUSA-N 0 2 241.228 2.678 20 0 BFADLN Cc1ccc(N[C@H]2CC[C@H](C)C2)[nH+]c1C(=O)[O-] ZINC001600459818 978696927 /nfs/dbraw/zinc/69/69/27/978696927.db2.gz LKTYYRNCVVBLEK-WPRPVWTQSA-N 0 2 234.299 2.689 20 0 BFADLN C[C@@H](Oc1cc(O)cc2occc(=O)c12)C1CC1 ZINC001233826875 978707297 /nfs/dbraw/zinc/70/72/97/978707297.db2.gz IIUBNUXZHATXGW-MRVPVSSYSA-N 0 2 246.262 2.676 20 0 BFADLN CC(C)(C)c1cn(Cc2ccc(C(=O)[O-])o2)c[nH+]1 ZINC001603545928 979471405 /nfs/dbraw/zinc/47/14/05/979471405.db2.gz WRFORCJNBWLINW-UHFFFAOYSA-N 0 2 248.282 2.520 20 0 BFADLN CC[C@H](Nc1ccc(C)c(C(=O)[O-])[nH+]1)C1CC1 ZINC001605106873 979814965 /nfs/dbraw/zinc/81/49/65/979814965.db2.gz ZOOVYTDXQGMQOE-JTQLQIEISA-N 0 2 234.299 2.689 20 0 BFADLN CC[C@@H]1CCCCN1c1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001605166066 979826835 /nfs/dbraw/zinc/82/68/35/979826835.db2.gz GQEZDFFJNXGHAN-LLVKDONJSA-N 0 2 248.326 2.857 20 0 BFADLN Cc1ccc(N2CCC(C)(C)CC2)[nH+]c1C(=O)[O-] ZINC001607792480 980128689 /nfs/dbraw/zinc/12/86/89/980128689.db2.gz FTGYSVYVOSSZMQ-UHFFFAOYSA-N 0 2 248.326 2.715 20 0 BFADLN CC[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(F)F ZINC001595299265 980425875 /nfs/dbraw/zinc/42/58/75/980425875.db2.gz NVXJZRMLOAZOPT-SNVBAGLBSA-N 0 2 243.253 2.518 20 0 BFADLN CCC1(CNc2cc(CC(=O)[O-])cc[nH+]2)CCC1 ZINC001595379463 980918267 /nfs/dbraw/zinc/91/82/67/980918267.db2.gz GEEHDVBKQWHPAG-UHFFFAOYSA-N 0 2 248.326 2.701 20 0 BFADLN Oc1c(F)cc(-c2ncc(F)cn2)cc1Cl ZINC001250477012 981170631 /nfs/dbraw/zinc/17/06/31/981170631.db2.gz IHNMRMPBZJDKJW-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN CN(C(=O)c1c(F)ccc(F)c1O)C(C)(C)C ZINC001192703446 981183359 /nfs/dbraw/zinc/18/33/59/981183359.db2.gz XDQSFCZQUSYEFU-UHFFFAOYSA-N 0 2 243.253 2.541 20 0 BFADLN Cc1c(-c2ccc(S)cc2)cnn1C ZINC001240381534 981340109 /nfs/dbraw/zinc/34/01/09/981340109.db2.gz XGFCVXNCCCYLNV-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN [S-]c1cc(S)cc(C2=CC[NH2+]CC2)c1 ZINC001240469570 981405785 /nfs/dbraw/zinc/40/57/85/981405785.db2.gz CQPLRYMHKNSUPM-UHFFFAOYSA-N 0 2 223.366 2.641 20 0 BFADLN CCn1cc(-c2ccccc2S)cn1 ZINC001240648866 981549353 /nfs/dbraw/zinc/54/93/53/981549353.db2.gz LENFUPNYZAQIAX-UHFFFAOYSA-N 0 2 204.298 2.859 20 0 BFADLN CCCOC(=O)Nc1ccc(F)c(F)c1O ZINC001194125022 981564253 /nfs/dbraw/zinc/56/42/53/981564253.db2.gz MYXVRRWTIXQLFP-UHFFFAOYSA-N 0 2 231.198 2.629 20 0 BFADLN CCCNc1ccnc(-c2cc(F)ccc2O)n1 ZINC001240694476 981600971 /nfs/dbraw/zinc/60/09/71/981600971.db2.gz UKWJRZLYVGQUJR-UHFFFAOYSA-N 0 2 247.273 2.810 20 0 BFADLN CSc1cnc(-c2cc(F)ccc2O)nc1 ZINC001240693592 981602622 /nfs/dbraw/zinc/60/26/22/981602622.db2.gz GYTNWYFJLJIPHH-UHFFFAOYSA-N 0 2 236.271 2.710 20 0 BFADLN CCc1nnc(-c2cc(F)ccc2O)nc1CC ZINC001240696103 981609149 /nfs/dbraw/zinc/60/91/49/981609149.db2.gz AUPXFHVDOPUTDA-UHFFFAOYSA-N 0 2 247.273 2.508 20 0 BFADLN Cc1cc(-c2ccccc2S)n(C)n1 ZINC001240859023 981896645 /nfs/dbraw/zinc/89/66/45/981896645.db2.gz YXSPNGOFGMXXIW-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN Nc1[nH+]cccc1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC001241348615 982504305 /nfs/dbraw/zinc/50/43/05/982504305.db2.gz AQBFYILYEDBFDE-UHFFFAOYSA-N 0 2 248.669 2.682 20 0 BFADLN CCc1ncc(F)c(-c2cccc(F)c2O)n1 ZINC001242350292 983616979 /nfs/dbraw/zinc/61/69/79/983616979.db2.gz LTWRHAIVZWKCHI-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN Nc1cccc(-c2cccc(Cl)c2O)n1 ZINC001242362407 983650694 /nfs/dbraw/zinc/65/06/94/983650694.db2.gz FNOLLZSBFFGVSD-UHFFFAOYSA-N 0 2 220.659 2.690 20 0 BFADLN Cc1cc(-c2cccc(Cl)c2O)ncn1 ZINC001242362982 983652929 /nfs/dbraw/zinc/65/29/29/983652929.db2.gz ZDINUNXZGRHFQV-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN COc1cc(-c2cccc(Cl)c2O)ncn1 ZINC001242362921 983654294 /nfs/dbraw/zinc/65/42/94/983654294.db2.gz XDLHICCIDHQNSO-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN Cc1ccc(-c2cccc(Cl)c2O)nc1N ZINC001242364460 983658245 /nfs/dbraw/zinc/65/82/45/983658245.db2.gz DOKAJJRXWXYHGU-UHFFFAOYSA-N 0 2 234.686 2.998 20 0 BFADLN COCCCn1cc(-c2ccc(S)cc2)cn1 ZINC001242488274 983815763 /nfs/dbraw/zinc/81/57/63/983815763.db2.gz SLPWZFXTYSMXML-UHFFFAOYSA-N 0 2 248.351 2.875 20 0 BFADLN CCNC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001202547775 983971340 /nfs/dbraw/zinc/97/13/40/983971340.db2.gz LJXWPYNTLNYXQV-UHFFFAOYSA-N 0 2 249.097 2.840 20 0 BFADLN Sc1cccc(-c2cnc3[nH]cnc3c2)c1 ZINC001242863550 984208030 /nfs/dbraw/zinc/20/80/30/984208030.db2.gz CTRYOYTUURORCZ-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Sc1cccc(-c2ncc3[nH]ccc3n2)c1 ZINC001242865537 984210637 /nfs/dbraw/zinc/21/06/37/984210637.db2.gz HRCSSOCXVHVNFG-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Cn1ccc2nc(-c3cccc(S)c3)ncc21 ZINC001242866376 984212285 /nfs/dbraw/zinc/21/22/85/984212285.db2.gz WIAJVWPQFDFAPQ-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Cc1cnc(-c2cccc(S)c2)c(N)c1 ZINC001242866306 984212651 /nfs/dbraw/zinc/21/26/51/984212651.db2.gz SLVFIIBPXRAQFE-UHFFFAOYSA-N 0 2 216.309 2.928 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cc(C)cc(C(=O)[O-])c1 ZINC001243183085 984643992 /nfs/dbraw/zinc/64/39/92/984643992.db2.gz YPTBKDYYZXNBKS-OXWOXFIQSA-N 0 2 217.268 2.569 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cc2nccc-2[n-][nH+]1 ZINC001243502074 985054932 /nfs/dbraw/zinc/05/49/32/985054932.db2.gz RSBRSOPOVMJYLB-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN CCc1cc(-c2cc(F)cc(F)c2O)ncn1 ZINC001243500997 985056031 /nfs/dbraw/zinc/05/60/31/985056031.db2.gz AXSVQNURCCIRAA-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN CCn1cc(-c2ccc(S)cc2)ccc1=O ZINC001243837943 985444505 /nfs/dbraw/zinc/44/45/05/985444505.db2.gz STOIUHZJZPAPPH-UHFFFAOYSA-N 0 2 231.320 2.824 20 0 BFADLN Cc1nccc(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001244501355 986202319 /nfs/dbraw/zinc/20/23/19/986202319.db2.gz UGQBLPDVLXPRSR-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1cnnc(-c2cc(F)c(O)c(Cl)c2)c1 ZINC001244500189 986206569 /nfs/dbraw/zinc/20/65/69/986206569.db2.gz JSJCYOLBINDGRA-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Oc1c(F)cc(-c2cnc(F)nc2)cc1Cl ZINC001244500446 986210221 /nfs/dbraw/zinc/21/02/21/986210221.db2.gz PERGQHVDDVYCGI-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN Oc1c(Cl)ccc(-c2cnc(F)cn2)c1F ZINC001244633076 986295483 /nfs/dbraw/zinc/29/54/83/986295483.db2.gz YIDXMRAMUVYEOD-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN Cc1cc(-c2ccccc2[S-])c[nH+]c1N ZINC001245538043 986922383 /nfs/dbraw/zinc/92/23/83/986922383.db2.gz VVWVZLXRXBBEQX-UHFFFAOYSA-N 0 2 216.309 2.928 20 0 BFADLN Cc1nccc(-c2cc(Cl)c(O)cc2F)n1 ZINC001245668678 987053978 /nfs/dbraw/zinc/05/39/78/987053978.db2.gz VPZINBDWGXNXNX-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CCCn1[nH]c(-c2cccc(C)c2)cc1=O ZINC001245917951 987147772 /nfs/dbraw/zinc/14/77/72/987147772.db2.gz OCPUUTLYKBLJTL-UHFFFAOYSA-N 0 2 216.284 2.974 20 0 BFADLN O=C1CC(c2cccc(F)c2)=NN1CC1CC1 ZINC001245921416 987157332 /nfs/dbraw/zinc/15/73/32/987157332.db2.gz XLOXCKYZUKSLJH-UHFFFAOYSA-N 0 2 232.258 2.805 20 0 BFADLN O=c1cc(-c2cccc(F)c2)[nH]n1CC1CC1 ZINC001245921416 987157348 /nfs/dbraw/zinc/15/73/48/987157348.db2.gz XLOXCKYZUKSLJH-UHFFFAOYSA-N 0 2 232.258 2.805 20 0 BFADLN CCCn1[nH]c(COCc2ccccc2)cc1=O ZINC001245922405 987168734 /nfs/dbraw/zinc/16/87/34/987168734.db2.gz DXCRCENUEONAIC-UHFFFAOYSA-N 0 2 246.310 2.716 20 0 BFADLN CCCN1N=C(c2ccc(Cl)nc2)CC1=O ZINC001245945947 987222974 /nfs/dbraw/zinc/22/29/74/987222974.db2.gz JALLIQPDLMQFGB-UHFFFAOYSA-N 0 2 237.690 2.714 20 0 BFADLN Cc1ccc(C2=NN(C3CCC3)C(=O)C2)cn1 ZINC001245950324 987235695 /nfs/dbraw/zinc/23/56/95/987235695.db2.gz WJIOTQVZLIFTAX-UHFFFAOYSA-N 0 2 229.283 2.684 20 0 BFADLN CC(C)CCCCNC(=O)[C@H](F)C(F)(F)F ZINC001522898261 989884366 /nfs/dbraw/zinc/88/43/66/989884366.db2.gz HZTGBQDLICXMKS-QMMMGPOBSA-N 0 2 243.244 2.829 20 0 BFADLN CC(C)CCCCNC(=O)C(F)C(F)(F)F ZINC001522898261 989884360 /nfs/dbraw/zinc/88/43/60/989884360.db2.gz HZTGBQDLICXMKS-QMMMGPOBSA-N 0 2 243.244 2.829 20 0 BFADLN CCC(F)(F)CNc1nc(C(C)=O)c(C)s1 ZINC000624560573 398215855 /nfs/dbraw/zinc/21/58/55/398215855.db2.gz LHJBBFJLQSPSMD-UHFFFAOYSA-N 0 2 248.298 2.533 20 0 BFADLN Cc1cc2ccccc2[nH+]c1NCCCC(=O)[O-] ZINC000063105198 178298303 /nfs/dbraw/zinc/29/83/03/178298303.db2.gz VIFXFLYYQHSCNM-UHFFFAOYSA-N 0 2 244.294 2.820 20 0 BFADLN CC1=NN(c2cccc3c2CCCC3)C(=O)[C@@H]1C ZINC000634597165 342973156 /nfs/dbraw/zinc/97/31/56/342973156.db2.gz CPENMUCXSDCXJI-SNVBAGLBSA-N 0 2 242.322 2.924 20 0 BFADLN CCC1=NN([C@@H]2CCC[C@H](C)C2)C(=O)C1 ZINC000634599930 342990828 /nfs/dbraw/zinc/99/08/28/342990828.db2.gz SLBLZINQHLKWBD-GXSJLCMTSA-N 0 2 208.305 2.563 20 0 BFADLN CC[C@@H](C)C1=NN(c2cccc(C)n2)C(=O)C1 ZINC000634613376 343010569 /nfs/dbraw/zinc/01/05/69/343010569.db2.gz WTDUCDSPVYTNNM-SECBINFHSA-N 0 2 231.299 2.529 20 0 BFADLN CC[C@@H](C)c1cc(=O)n(-c2cccc(C)n2)[nH]1 ZINC000634613376 343010570 /nfs/dbraw/zinc/01/05/70/343010570.db2.gz WTDUCDSPVYTNNM-SECBINFHSA-N 0 2 231.299 2.529 20 0 BFADLN CCC1=NN(c2cc(C)ccc2F)C(=O)[C@H]1C ZINC000634611170 343008226 /nfs/dbraw/zinc/00/82/26/343008226.db2.gz PEFBWSBETNLOQZ-VIFPVBQESA-N 0 2 234.274 2.883 20 0 BFADLN CCCC1=NN(CCc2ccccc2F)C(=O)C1 ZINC000634612004 343009024 /nfs/dbraw/zinc/00/90/24/343009024.db2.gz LBHSHZPFSQXDRS-UHFFFAOYSA-N 0 2 248.301 2.757 20 0 BFADLN CCCCCn1[nH]c2c(c1=O)CCCCC2 ZINC000634618819 343017579 /nfs/dbraw/zinc/01/75/79/343017579.db2.gz FFDZLFPSHTZURL-LLVKDONJSA-N 0 2 222.332 2.955 20 0 BFADLN CC[C@@H](C)N1N=C(c2cccs2)[C@@H](C)C1=O ZINC000634624089 343024836 /nfs/dbraw/zinc/02/48/36/343024836.db2.gz XIBSZVSWMNCBLC-RKDXNWHRSA-N 0 2 236.340 2.729 20 0 BFADLN CCC1=NN([C@H]2CCCCC2(C)C)C(=O)C1 ZINC000634625232 343028652 /nfs/dbraw/zinc/02/86/52/343028652.db2.gz BILLDIISJPGNBM-NSHDSACASA-N 0 2 222.332 2.954 20 0 BFADLN CCC1=NN(c2ccc(C)c(F)c2)C(=O)[C@H]1C ZINC000634614813 343012183 /nfs/dbraw/zinc/01/21/83/343012183.db2.gz OTVFZIDJYKYDBT-VIFPVBQESA-N 0 2 234.274 2.883 20 0 BFADLN Cc1ccc(F)cc1N1N=C2[C@@H](C)CC[C@@H]2C1=O ZINC000634615723 343013764 /nfs/dbraw/zinc/01/37/64/343013764.db2.gz PIVWESHGLACGBX-ONGXEEELSA-N 0 2 246.285 2.883 20 0 BFADLN CCC1=NN([C@@H]2CCCCC2(C)C)C(=O)C1 ZINC000634625231 343028918 /nfs/dbraw/zinc/02/89/18/343028918.db2.gz BILLDIISJPGNBM-LLVKDONJSA-N 0 2 222.332 2.954 20 0 BFADLN CCC1=NN([C@H]2CCCC2(C)C)C(=O)C1 ZINC000634625405 343029467 /nfs/dbraw/zinc/02/94/67/343029467.db2.gz GBTJFLNQEAPNEH-JTQLQIEISA-N 0 2 208.305 2.563 20 0 BFADLN CC1(C)CCC[C@@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625560 343029796 /nfs/dbraw/zinc/02/97/96/343029796.db2.gz JHACTWPSIALTHJ-KOLCDFICSA-N 0 2 220.316 2.563 20 0 BFADLN CC1(C)CCC[C@@H]1N1N=C(c2ccoc2)CC1=O ZINC000634625913 343030731 /nfs/dbraw/zinc/03/07/31/343030731.db2.gz QXIMXKPWKFFUHS-LBPRGKRZSA-N 0 2 246.310 2.795 20 0 BFADLN CC1(C)CCC[C@@H]1n1[nH]c(-c2ccoc2)cc1=O ZINC000634625913 343030733 /nfs/dbraw/zinc/03/07/33/343030733.db2.gz QXIMXKPWKFFUHS-LBPRGKRZSA-N 0 2 246.310 2.795 20 0 BFADLN C[C@H](N1N=C(c2ccoc2)CC1=O)C(C)(C)C ZINC000634629999 343038401 /nfs/dbraw/zinc/03/84/01/343038401.db2.gz JMAVCYXPWOUUHX-VIFPVBQESA-N 0 2 234.299 2.651 20 0 BFADLN C[C@H](n1[nH]c(-c2ccoc2)cc1=O)C(C)(C)C ZINC000634629999 343038403 /nfs/dbraw/zinc/03/84/03/343038403.db2.gz JMAVCYXPWOUUHX-VIFPVBQESA-N 0 2 234.299 2.651 20 0 BFADLN CCC1=NN(CC2(C)CCCC2)C(=O)C1 ZINC000634630344 343039083 /nfs/dbraw/zinc/03/90/83/343039083.db2.gz SPYQTQKEVJJCDR-UHFFFAOYSA-N 0 2 208.305 2.565 20 0 BFADLN CCCCC1=NN(c2ccncc2F)C(=O)[C@H]1C ZINC000634633616 343046264 /nfs/dbraw/zinc/04/62/64/343046264.db2.gz BRVIDCQDGJJPRE-VIFPVBQESA-N 0 2 249.289 2.750 20 0 BFADLN CC(C)[N@H+](CC(=O)[O-])Cc1sccc1Cl ZINC000261538042 187234015 /nfs/dbraw/zinc/23/40/15/187234015.db2.gz XFXLGIUSHWSDEP-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN CC(C)[N@@H+](CC(=O)[O-])Cc1sccc1Cl ZINC000261538042 187234016 /nfs/dbraw/zinc/23/40/16/187234016.db2.gz XFXLGIUSHWSDEP-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@H](SC)c1nc(C(C)(C)OC)no1 ZINC000350505584 136361900 /nfs/dbraw/zinc/36/19/00/136361900.db2.gz ZCUWWDSOKAHOMW-ZETCQYMHSA-N 0 2 230.333 2.765 20 0 BFADLN Cc1nc(=NCc2ccc([C@H]3C[C@H]3C)o2)s[nH]1 ZINC000565808371 343714709 /nfs/dbraw/zinc/71/47/09/343714709.db2.gz BEWLDIMDWAIFCS-XCBNKYQSSA-N 0 2 249.339 2.597 20 0 BFADLN CN(c1ccc(C(=O)[O-])c[nH+]1)C1CCCCC1 ZINC000019844974 343773781 /nfs/dbraw/zinc/77/37/81/343773781.db2.gz NSDLKXHCWVMCPB-UHFFFAOYSA-N 0 2 234.299 2.549 20 0 BFADLN Cc1n[nH]c(=NCC[C@@H]2CCCC[C@@H]2C)s1 ZINC000381437197 344507042 /nfs/dbraw/zinc/50/70/42/344507042.db2.gz DBQYGXTZBPMPIG-ONGXEEELSA-N 0 2 239.388 2.897 20 0 BFADLN CCC1=NN([C@@H](C)c2ccccc2)C(=O)C1 ZINC000390055517 345201319 /nfs/dbraw/zinc/20/13/19/345201319.db2.gz MUUYFMZVZQWYRS-JTQLQIEISA-N 0 2 216.284 2.746 20 0 BFADLN C(N=c1[nH]nc(C2CC2)s1)C1CCCCC1 ZINC000336662506 187305607 /nfs/dbraw/zinc/30/56/07/187305607.db2.gz KJZMLERRJCUKRN-UHFFFAOYSA-N 0 2 237.372 2.830 20 0 BFADLN Cc1cccc(CNC(=O)[C@H](F)C(F)(F)F)c1 ZINC000277412050 179086714 /nfs/dbraw/zinc/08/67/14/179086714.db2.gz LTBJLFRXUMMEJR-VIFPVBQESA-N 0 2 249.207 2.512 20 0 BFADLN Cc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000277412050 179086718 /nfs/dbraw/zinc/08/67/18/179086718.db2.gz LTBJLFRXUMMEJR-VIFPVBQESA-N 0 2 249.207 2.512 20 0 BFADLN Cc1cccc([N@H+](C)CCCCC(=O)[O-])c1C ZINC000181548781 179115743 /nfs/dbraw/zinc/11/57/43/179115743.db2.gz LIUBYTUSHGOQJZ-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN Cc1cccc([N@@H+](C)CCCCC(=O)[O-])c1C ZINC000181548781 179115746 /nfs/dbraw/zinc/11/57/46/179115746.db2.gz LIUBYTUSHGOQJZ-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN Cc1ccccc1CNC(=O)[C@H](F)C(F)(F)F ZINC000277522540 179280237 /nfs/dbraw/zinc/28/02/37/179280237.db2.gz QWPKITAFMGLOMX-VIFPVBQESA-N 0 2 249.207 2.512 20 0 BFADLN Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000277522540 179280239 /nfs/dbraw/zinc/28/02/39/179280239.db2.gz QWPKITAFMGLOMX-VIFPVBQESA-N 0 2 249.207 2.512 20 0 BFADLN CC(C)(C)n1nccc1NC(=O)[C@H]1CC=CCC1 ZINC000107123273 191068677 /nfs/dbraw/zinc/06/86/77/191068677.db2.gz FWJPAUKOUIFPAU-NSHDSACASA-N 0 2 247.342 2.933 20 0 BFADLN CC(C)Cc1nsc(N[C@@H]2CCC2(C)C)n1 ZINC000336692301 188342710 /nfs/dbraw/zinc/34/27/10/188342710.db2.gz XEFROBPXYNREPP-SECBINFHSA-N 0 2 239.388 2.759 20 0 BFADLN CCCc1nsc(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000413466636 191383967 /nfs/dbraw/zinc/38/39/67/191383967.db2.gz YGZXCPUJBONGFN-KXUCPTDWSA-N 0 2 237.372 2.513 20 0 BFADLN c1nn[nH]c1CSCC1CCCCC1 ZINC000352155397 134084019 /nfs/dbraw/zinc/08/40/19/134084019.db2.gz YFOKVHIXQOLZJU-UHFFFAOYSA-N 0 2 211.334 2.618 20 0 BFADLN C[C@@]1(F)C[NH2+]CC[N@H+](CCCC2CCCC2)C1 ZINC000420329989 192214449 /nfs/dbraw/zinc/21/44/49/192214449.db2.gz KRXPAQVVEKNMNN-CQSZACIVSA-N 0 2 242.382 2.590 20 0 BFADLN CC(C)c1nsc(NCCC(C)(F)F)n1 ZINC000379237967 356435810 /nfs/dbraw/zinc/43/58/10/356435810.db2.gz UMUQRRPNSGVERA-UHFFFAOYSA-N 0 2 235.303 2.541 20 0 BFADLN CCC1(Nc2nc(C3CCCC3)ns2)CC1 ZINC000420641726 192254615 /nfs/dbraw/zinc/25/46/15/192254615.db2.gz TXQMVTMRTAQHJA-UHFFFAOYSA-N 0 2 237.372 2.972 20 0 BFADLN FC1(F)CCCC[C@H](CN=c2[nH]ncs2)C1 ZINC000336186782 134121680 /nfs/dbraw/zinc/12/16/80/134121680.db2.gz ZSLYTPABMRJGJL-QMMMGPOBSA-N 0 2 247.314 2.588 20 0 BFADLN Fc1ccc2c(c1)CCC[C@H]2N=c1[nH]ncs1 ZINC000336195408 134125911 /nfs/dbraw/zinc/12/59/11/134125911.db2.gz NSTJBWITDUZTPK-LLVKDONJSA-N 0 2 249.314 2.589 20 0 BFADLN Cc1ccc2c(c1)[C@@H](N=c1[nH]ncs1)[C@@H](C)C2 ZINC000450431628 202165809 /nfs/dbraw/zinc/16/58/09/202165809.db2.gz AOZDSIWDPXRKTO-CABZTGNLSA-N 0 2 245.351 2.614 20 0 BFADLN CC[N@H+](Cc1n[nH]cc1C)Cc1cccc(F)c1 ZINC000356060927 356787362 /nfs/dbraw/zinc/78/73/62/356787362.db2.gz SOMYZWHLKZVUQC-UHFFFAOYSA-N 0 2 247.317 2.879 20 0 BFADLN CC(C)=CCC[C@@H](C)Nc1nc(C)ns1 ZINC000450671831 202232578 /nfs/dbraw/zinc/23/25/78/202232578.db2.gz GHMRWXRAQGLXLX-SECBINFHSA-N 0 2 225.361 2.815 20 0 BFADLN CCCN(CC(=O)[O-])c1[nH+]ccc2ccccc21 ZINC000168600060 364966122 /nfs/dbraw/zinc/96/61/22/364966122.db2.gz UNHLNGCKFGUVKX-UHFFFAOYSA-N 0 2 244.294 2.536 20 0 BFADLN CCCC[C@@H](C)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000443531730 193024070 /nfs/dbraw/zinc/02/40/70/193024070.db2.gz MDOXJMKILLQXIZ-SNVBAGLBSA-N 0 2 247.342 2.541 20 0 BFADLN CC(C)(C)c1n[nH]c(=NCC2CCCC2)s1 ZINC000381520716 367424410 /nfs/dbraw/zinc/42/44/10/367424410.db2.gz UOUMCKGEOYNODF-UHFFFAOYSA-N 0 2 239.388 2.860 20 0 BFADLN C[C@H](N=c1[nH]ncs1)[C@@H]1CC2CCC1CC2 ZINC000382137351 367489375 /nfs/dbraw/zinc/48/93/75/367489375.db2.gz NGJCAVRDGLVXIJ-PMUOWJKOSA-N 0 2 237.372 2.587 20 0 BFADLN CCCN(CC)C(=O)c1c(O)cc(F)cc1F ZINC000620969006 370065935 /nfs/dbraw/zinc/06/59/35/370065935.db2.gz QQIBHPZWADJAMM-UHFFFAOYSA-N 0 2 243.253 2.543 20 0 BFADLN CC(C)c1nsc(N[C@@H]2C[C@H]2C(C)C)n1 ZINC000560821402 384373168 /nfs/dbraw/zinc/37/31/68/384373168.db2.gz NYGBYMRSLMZOSC-DTWKUNHWSA-N 0 2 225.361 2.540 20 0 BFADLN O=C(NOC1CCCC1)C1(c2ccccc2)CC1 ZINC000135354178 384436505 /nfs/dbraw/zinc/43/65/05/384436505.db2.gz SOTGFQDGIJLJCV-UHFFFAOYSA-N 0 2 245.322 2.709 20 0 BFADLN CC(C)=C(C)CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000635656233 384776519 /nfs/dbraw/zinc/77/65/19/384776519.db2.gz VVDBZZDCSFDRDY-UHFFFAOYSA-N 0 2 244.298 2.643 20 0 BFADLN CC[C@]1(C)CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000647450982 385034040 /nfs/dbraw/zinc/03/40/40/385034040.db2.gz HQOKQWWGAPKKFF-CQSZACIVSA-N 0 2 248.326 2.796 20 0 BFADLN C[C@@H]1CN(c2ccc(C(=O)[O-])c[nH+]2)CC(C)(C)C1 ZINC000647452857 385042027 /nfs/dbraw/zinc/04/20/27/385042027.db2.gz NKZWNHMVIXRAMT-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)(C)CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000153461869 385257117 /nfs/dbraw/zinc/25/71/17/385257117.db2.gz GMHARDBHZQASBA-UHFFFAOYSA-N 0 2 246.314 2.723 20 0 BFADLN CCONC(=O)[C@H](CC)Sc1ccccc1 ZINC000110616704 385248268 /nfs/dbraw/zinc/24/82/68/385248268.db2.gz BSUJNUPSJYGVBB-NSHDSACASA-N 0 2 239.340 2.625 20 0 BFADLN CCCCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000165951459 386795804 /nfs/dbraw/zinc/79/58/04/386795804.db2.gz FLPAUWNMESPEKL-UHFFFAOYSA-N 0 2 247.386 2.702 20 0 BFADLN CCC[C@H](C)CC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000341222135 386857296 /nfs/dbraw/zinc/85/72/96/386857296.db2.gz XWNQPNHLBJEPKZ-JTQLQIEISA-N 0 2 247.342 2.541 20 0 BFADLN C[C@H]1c2ccsc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000336555623 387378676 /nfs/dbraw/zinc/37/86/76/387378676.db2.gz JSFZKJHSSRPZPA-NSHDSACASA-N 0 2 247.367 2.564 20 0 BFADLN CC(C)(CN=c1[nH]ncs1)Cc1ccccc1 ZINC000450340511 387949195 /nfs/dbraw/zinc/94/91/95/387949195.db2.gz VWQIFUVKPBBYTM-UHFFFAOYSA-N 0 2 247.367 2.641 20 0 BFADLN CCCC[C@H](CCC)Sc1n[nH]c(=O)[nH]1 ZINC000446066047 387989273 /nfs/dbraw/zinc/98/92/73/387989273.db2.gz HDKPUBFKTKGEMH-QMMMGPOBSA-N 0 2 229.349 2.961 20 0 BFADLN Cc1cccc([N@H+](C)CC2(CC(=O)[O-])CC2)c1 ZINC000088256031 388724260 /nfs/dbraw/zinc/72/42/60/388724260.db2.gz VGYIYOSLJLBRMX-UHFFFAOYSA-N 0 2 233.311 2.686 20 0 BFADLN Cc1cccc([N@@H+](C)CC2(CC(=O)[O-])CC2)c1 ZINC000088256031 388724263 /nfs/dbraw/zinc/72/42/63/388724263.db2.gz VGYIYOSLJLBRMX-UHFFFAOYSA-N 0 2 233.311 2.686 20 0 BFADLN CC[C@@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000079351132 135307672 /nfs/dbraw/zinc/30/76/72/135307672.db2.gz QQUVNPCLOGDMRE-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN Cc1ccc(F)c(C(=O)N2CC[C@](C)(F)C2)c1 ZINC000334357462 135370254 /nfs/dbraw/zinc/37/02/54/135370254.db2.gz QDBUMGIJPUCTSJ-ZDUSSCGKSA-N 0 2 239.265 2.708 20 0 BFADLN F[C@H]1CCC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000335377862 136086294 /nfs/dbraw/zinc/08/62/94/136086294.db2.gz FMBYDHMORLFGRK-IUCAKERBSA-N 0 2 241.335 2.530 20 0 BFADLN F[C@@H]1CCC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000335377860 136086503 /nfs/dbraw/zinc/08/65/03/136086503.db2.gz FMBYDHMORLFGRK-BDAKNGLRSA-N 0 2 241.335 2.530 20 0 BFADLN CC[C@@H]1CCC[C@@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000388831341 398002306 /nfs/dbraw/zinc/00/23/06/398002306.db2.gz WHBVDXDUIYXDQW-KOLCDFICSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@@H]1CN(c2cc[nH+]c(C(=O)[O-])c2)CC(C)(C)C1 ZINC000650767987 410416133 /nfs/dbraw/zinc/41/61/33/410416133.db2.gz KGSYRPFBLIPNEI-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN C[C@H]1CC2(CCC2)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650768810 410419353 /nfs/dbraw/zinc/41/93/53/410419353.db2.gz HGUPGLOSJOATJL-JTQLQIEISA-N 0 2 246.310 2.549 20 0 BFADLN C=CCCCCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000309223696 410459609 /nfs/dbraw/zinc/45/96/09/410459609.db2.gz RGVYHVILKJJTOT-UHFFFAOYSA-N 0 2 220.272 2.548 20 0 BFADLN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1C ZINC000103294554 410888266 /nfs/dbraw/zinc/88/82/66/410888266.db2.gz RRNMQJFFQZMFAT-ZETCQYMHSA-N 0 2 222.675 2.699 20 0 BFADLN CC(C)ONC(=O)C(C)(C)c1ccccc1F ZINC000295516932 167273221 /nfs/dbraw/zinc/27/32/21/167273221.db2.gz IDMWUDQEDKWXQY-UHFFFAOYSA-N 0 2 239.290 2.560 20 0 BFADLN CC(C)C[C@H]1CCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000307801975 411484208 /nfs/dbraw/zinc/48/42/08/411484208.db2.gz CFIYHTLIZAWYEQ-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN CC1C[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)[O-])c[nH+]1 ZINC000202080109 487620493 /nfs/dbraw/zinc/62/04/93/487620493.db2.gz JFBMAECNPATLCW-CLYYMRHHSA-N 0 2 246.310 2.547 20 0 BFADLN CC[C@H](C)CONc1ccc(C(F)(F)F)nn1 ZINC000291671874 171289810 /nfs/dbraw/zinc/28/98/10/171289810.db2.gz DNBVZMHQWDTLTP-ZETCQYMHSA-N 0 2 249.236 2.885 20 0 BFADLN O=C([O-])c1ccc(NCCCC2CCC2)[nH+]c1 ZINC000662886337 412336315 /nfs/dbraw/zinc/33/63/15/412336315.db2.gz DTFUVDMACGYTNB-UHFFFAOYSA-N 0 2 234.299 2.772 20 0 BFADLN C[C@@H]1CCC[C@@H]1CN=c1[nH]nc(C2CC2)s1 ZINC000336780111 176127640 /nfs/dbraw/zinc/12/76/40/176127640.db2.gz QLWLJTVBQJKOIT-PSASIEDQSA-N 0 2 237.372 2.686 20 0 BFADLN C[C@H]1CCC[C@@H](CCSc2n[nH]c(=O)[nH]2)C1 ZINC000338405139 177119406 /nfs/dbraw/zinc/11/94/06/177119406.db2.gz BUADIIQCAMMKCU-IUCAKERBSA-N 0 2 241.360 2.819 20 0 BFADLN CC(C)C1(CNc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000232743325 487645669 /nfs/dbraw/zinc/64/56/69/487645669.db2.gz LUTVVFXMOZZIAJ-UHFFFAOYSA-N 0 2 234.299 2.628 20 0 BFADLN CCC[C@@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000680814696 487650079 /nfs/dbraw/zinc/65/00/79/487650079.db2.gz HQLSCBZBSIFNJY-SSDOTTSWSA-N 0 2 243.253 2.589 20 0 BFADLN CC1(C)CCCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000087658531 487676144 /nfs/dbraw/zinc/67/61/44/487676144.db2.gz ONOQJGLUCYSSAN-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN O=C([O-])c1cc(NC2CCCCC2)cc[nH+]1 ZINC000036896327 487743087 /nfs/dbraw/zinc/74/30/87/487743087.db2.gz YNCKOCSAJOPTHH-UHFFFAOYSA-N 0 2 220.272 2.524 20 0 BFADLN CCCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000764148934 585461060 /nfs/dbraw/zinc/46/10/60/585461060.db2.gz GRABUAZDVQXIAV-SFYZADRCSA-N 0 2 243.244 2.972 20 0 BFADLN c1ccc(-c2nc(=NCC3CCCC3)[nH]o2)cc1 ZINC000541539497 324963302 /nfs/dbraw/zinc/96/33/02/324963302.db2.gz YXQBHUOKXKOSCQ-UHFFFAOYSA-N 0 2 243.310 2.761 20 0 BFADLN C[C@H]1CC[C@H](N=c2nc(C(C)(C)C)o[nH]2)CC1 ZINC000544680164 325154743 /nfs/dbraw/zinc/15/47/43/325154743.db2.gz SSOYWCAPIWCUCF-MGCOHNPYSA-N 0 2 237.347 2.780 20 0 BFADLN CC(C)C1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000232546792 488009892 /nfs/dbraw/zinc/00/98/92/488009892.db2.gz ZMXKAEUZSDBBGY-UHFFFAOYSA-N 0 2 248.326 2.652 20 0 BFADLN Cc1[nH+]cc(C[N@@H+](C)C2CCCCCC2)n1C ZINC000667491770 488025377 /nfs/dbraw/zinc/02/53/77/488025377.db2.gz GTEAPAPOTJMPJY-UHFFFAOYSA-N 0 2 235.375 2.883 20 0 BFADLN CC(C)(C)[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590429 488053787 /nfs/dbraw/zinc/05/37/87/488053787.db2.gz VRDHNFFPRHZCDX-CYBMUJFWSA-N 0 2 247.386 2.840 20 0 BFADLN O=C([O-])c1ccc(NCCCC(F)(F)F)[nH+]c1 ZINC000149512202 487539356 /nfs/dbraw/zinc/53/93/56/487539356.db2.gz ZHIHHYQAHHLVKG-UHFFFAOYSA-N 0 2 248.204 2.534 20 0 BFADLN CC1(C)CCC[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000094330244 487530110 /nfs/dbraw/zinc/53/01/10/487530110.db2.gz LYNSRPAEQROFEB-SNVBAGLBSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(F)cc3)N=C12 ZINC000634583458 491087080 /nfs/dbraw/zinc/08/70/80/491087080.db2.gz WXFRJFNEJOVFGC-KWQFWETISA-N 0 2 232.258 2.574 20 0 BFADLN CC(C)ONC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC000854754744 588805665 /nfs/dbraw/zinc/80/56/65/588805665.db2.gz SGNDFFCHXVYYPA-OAHLLOKOSA-N 0 2 247.338 2.811 20 0 BFADLN CC[C@](C)(NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC000855876402 588852535 /nfs/dbraw/zinc/85/25/35/588852535.db2.gz CMGQZQKIZRVRBF-CBAPKCEASA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC000855876402 588852536 /nfs/dbraw/zinc/85/25/36/588852536.db2.gz CMGQZQKIZRVRBF-CBAPKCEASA-N 0 2 241.228 2.582 20 0 BFADLN Cc1ccc([C@@H](C)C(=O)NOCC2CCC2)o1 ZINC000856348219 588869254 /nfs/dbraw/zinc/86/92/54/588869254.db2.gz VAWAWWPTRHDFPG-SNVBAGLBSA-N 0 2 237.299 2.539 20 0 BFADLN Cc1[nH]nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000893872677 583237546 /nfs/dbraw/zinc/23/75/46/583237546.db2.gz XWHFJDINWOAABK-AOOOYVTPSA-N 0 2 221.348 2.504 20 0 BFADLN Cc1[nH]nc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1C ZINC000894904927 583553801 /nfs/dbraw/zinc/55/38/01/583553801.db2.gz BKAUMSRUKZMMTH-HIFRSBDPSA-N 0 2 245.370 2.647 20 0 BFADLN CN(C)c1cc[nH+]c(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000896299128 583789756 /nfs/dbraw/zinc/78/97/56/583789756.db2.gz SWRPPBYPNOMZEL-UHFFFAOYSA-N 0 2 245.370 2.570 20 0 BFADLN O=C(NOc1ccc(F)cc1)[C@]12C[C@H]1CCCC2 ZINC000898576328 584143024 /nfs/dbraw/zinc/14/30/24/584143024.db2.gz MCILWUQXPUPIRS-QMTHXVAHSA-N 0 2 249.285 2.816 20 0 BFADLN Cc1cc(C)c2cc(N[C@H](C)C(=O)[O-])ccc2[nH+]1 ZINC000904256796 584859019 /nfs/dbraw/zinc/85/90/19/584859019.db2.gz IRSHBEMKKRSCRJ-SNVBAGLBSA-N 0 2 244.294 2.737 20 0 BFADLN O=C(OCCC1CC1)c1cc(F)c(O)c(F)c1 ZINC000759547257 585375517 /nfs/dbraw/zinc/37/55/17/585375517.db2.gz XMULDQGAYWXGGG-UHFFFAOYSA-N 0 2 242.221 2.627 20 0 BFADLN O=C(NC1CCCCCC1)[C@@H](F)C(F)(F)F ZINC000763903339 585456797 /nfs/dbraw/zinc/45/67/97/585456797.db2.gz RMJXALMAFDETII-MRVPVSSYSA-N 0 2 241.228 2.726 20 0 BFADLN O=C(NC1CCCCCC1)C(F)C(F)(F)F ZINC000763903339 585456798 /nfs/dbraw/zinc/45/67/98/585456798.db2.gz RMJXALMAFDETII-MRVPVSSYSA-N 0 2 241.228 2.726 20 0 BFADLN CCCCN(CC)C(=O)[C@H](F)C(F)(F)F ZINC000763918553 585457199 /nfs/dbraw/zinc/45/71/99/585457199.db2.gz HZQWUJCCQMLZCE-ZETCQYMHSA-N 0 2 229.217 2.535 20 0 BFADLN CCCCN(CC)C(=O)C(F)C(F)(F)F ZINC000763918553 585457200 /nfs/dbraw/zinc/45/72/00/585457200.db2.gz HZQWUJCCQMLZCE-ZETCQYMHSA-N 0 2 229.217 2.535 20 0 BFADLN C[C@@H]1CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000764175477 585460947 /nfs/dbraw/zinc/46/09/47/585460947.db2.gz XBLRVTWRIHRGDH-CSMHCCOUSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000764175477 585460948 /nfs/dbraw/zinc/46/09/48/585460948.db2.gz XBLRVTWRIHRGDH-CSMHCCOUSA-N 0 2 241.228 2.582 20 0 BFADLN CCCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000764148934 585461059 /nfs/dbraw/zinc/46/10/59/585461059.db2.gz GRABUAZDVQXIAV-SFYZADRCSA-N 0 2 243.244 2.972 20 0 BFADLN C[C@H](C(=O)NOc1ccccc1)c1ccccc1 ZINC000773471981 585637736 /nfs/dbraw/zinc/63/77/36/585637736.db2.gz IJAJBRCXSPXKRZ-LBPRGKRZSA-N 0 2 241.290 2.900 20 0 BFADLN CCS[C@H](C(=O)NOC1CCCC1)C(C)C ZINC000774861684 585667936 /nfs/dbraw/zinc/66/79/36/585667936.db2.gz AEWSRTJOSONQDK-NSHDSACASA-N 0 2 245.388 2.755 20 0 BFADLN CCC[C@H](C)NC(=O)c1cccc(Cl)c1O ZINC000775650420 585682397 /nfs/dbraw/zinc/68/23/97/585682397.db2.gz CFQFGOXTRRSGDS-QMMMGPOBSA-N 0 2 241.718 2.964 20 0 BFADLN CN(C(=O)c1cccc(Cl)c1O)C1CCC1 ZINC000775757448 585684127 /nfs/dbraw/zinc/68/41/27/585684127.db2.gz DXTZFJHLWAHXNF-UHFFFAOYSA-N 0 2 239.702 2.670 20 0 BFADLN CC1(C)CCN1C(=O)c1cccc(Cl)c1O ZINC000775754119 585684302 /nfs/dbraw/zinc/68/43/02/585684302.db2.gz SXYBMZCYCODYKR-UHFFFAOYSA-N 0 2 239.702 2.670 20 0 BFADLN CCCSCC(=O)NOC1CCCCC1 ZINC000777948278 585724151 /nfs/dbraw/zinc/72/41/51/585724151.db2.gz CEPDYZHMXOONCF-UHFFFAOYSA-N 0 2 231.361 2.510 20 0 BFADLN O=C(NOC1CCCCC1)[C@@H]1CCCCS1 ZINC000777950089 585724282 /nfs/dbraw/zinc/72/42/82/585724282.db2.gz SGAHJLZQEZFVLS-NSHDSACASA-N 0 2 243.372 2.653 20 0 BFADLN CC(C)=CCNC(=O)c1cccc(Cl)c1O ZINC000791010010 585972131 /nfs/dbraw/zinc/97/21/31/585972131.db2.gz BIQGYHGIWCEACS-UHFFFAOYSA-N 0 2 239.702 2.742 20 0 BFADLN CC[C@@H]1C[C@H]1NC(=O)c1cccc(Cl)c1O ZINC000798095929 586136858 /nfs/dbraw/zinc/13/68/58/586136858.db2.gz UKGWBJUYQCQOQJ-GMSGAONNSA-N 0 2 239.702 2.574 20 0 BFADLN C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1CCCC1 ZINC000810402913 586538854 /nfs/dbraw/zinc/53/88/54/586538854.db2.gz JJAWWQSXNMIQDU-POYBYMJQSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](NC(=O)C(F)C(F)(F)F)C1CCCC1 ZINC000810402913 586538855 /nfs/dbraw/zinc/53/88/55/586538855.db2.gz JJAWWQSXNMIQDU-POYBYMJQSA-N 0 2 241.228 2.582 20 0 BFADLN CCCC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000810534321 586540028 /nfs/dbraw/zinc/54/00/28/586540028.db2.gz NKFMQGUFXWHUNA-SSDOTTSWSA-N 0 2 241.228 2.583 20 0 BFADLN CCCC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC000810534321 586540029 /nfs/dbraw/zinc/54/00/29/586540029.db2.gz NKFMQGUFXWHUNA-SSDOTTSWSA-N 0 2 241.228 2.583 20 0 BFADLN CCN(CCC1CC1)C(=O)[C@H](F)C(F)(F)F ZINC000811058231 586554483 /nfs/dbraw/zinc/55/44/83/586554483.db2.gz YJGJGCDROUGODH-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CCN(CCC1CC1)C(=O)C(F)C(F)(F)F ZINC000811058231 586554484 /nfs/dbraw/zinc/55/44/84/586554484.db2.gz YJGJGCDROUGODH-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CCN(CCC1CC1)C(=O)[C@@H](F)C(F)(F)F ZINC000811058230 586554528 /nfs/dbraw/zinc/55/45/28/586554528.db2.gz YJGJGCDROUGODH-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CCN(CCC1CC1)C(=O)C(F)C(F)(F)F ZINC000811058230 586554529 /nfs/dbraw/zinc/55/45/29/586554529.db2.gz YJGJGCDROUGODH-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1CCCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000811161225 586555844 /nfs/dbraw/zinc/55/58/44/586555844.db2.gz TUZVMVZTVUEJDQ-HTQZYQBOSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1CCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811161225 586555845 /nfs/dbraw/zinc/55/58/45/586555845.db2.gz TUZVMVZTVUEJDQ-HTQZYQBOSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@H](C)CON=c1nc(C2CC2)[nH]s1 ZINC000813621584 586604738 /nfs/dbraw/zinc/60/47/38/586604738.db2.gz BDVXTGHUTGPUAC-SSDOTTSWSA-N 0 2 227.333 2.805 20 0 BFADLN CC[C@H](C)CONC(=O)CSCCC(C)C ZINC000816977041 586777107 /nfs/dbraw/zinc/77/71/07/586777107.db2.gz PIFDEOUVHYUERT-NSHDSACASA-N 0 2 247.404 2.860 20 0 BFADLN C[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC000819683284 586985489 /nfs/dbraw/zinc/98/54/89/586985489.db2.gz SUYRLYMMIXXALT-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC000819683284 586985492 /nfs/dbraw/zinc/98/54/92/586985492.db2.gz SUYRLYMMIXXALT-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN Cc1cc[nH+]cc1NCc1cccc(C(=O)[O-])c1 ZINC000821130477 587097758 /nfs/dbraw/zinc/09/77/58/587097758.db2.gz HCVWRHLLVHFMLL-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN C[C@@]1(C(=O)NOc2ccccc2F)C=CCC1 ZINC000828984880 587477817 /nfs/dbraw/zinc/47/78/17/587477817.db2.gz JEDOMVRHYHHYGI-CYBMUJFWSA-N 0 2 235.258 2.592 20 0 BFADLN C[C@H](SCc1cnn[nH]1)c1cccs1 ZINC000829212376 587488366 /nfs/dbraw/zinc/48/83/66/587488366.db2.gz FIWLMQCFGQGSDE-ZETCQYMHSA-N 0 2 225.342 2.861 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1CCCC1CCCC1 ZINC000832996346 587696813 /nfs/dbraw/zinc/69/68/13/587696813.db2.gz RLBCZMOOUJRRGB-UHFFFAOYSA-N 0 2 236.315 2.860 20 0 BFADLN CCCONC(=O)C1(c2cccc(C)c2)CCC1 ZINC000844083940 588162873 /nfs/dbraw/zinc/16/28/73/588162873.db2.gz VLXMJHRIMIHIEU-UHFFFAOYSA-N 0 2 247.338 2.875 20 0 BFADLN O=c1c2c([nH]n1CC1CCCCC1)CCCC2 ZINC000863851436 589323147 /nfs/dbraw/zinc/32/31/47/589323147.db2.gz SOALPIDJMHQHQA-LBPRGKRZSA-N 0 2 234.343 2.955 20 0 BFADLN CCC(C)(C)CCNC(=O)[C@H](F)C(F)(F)F ZINC000870292267 589656285 /nfs/dbraw/zinc/65/62/85/589656285.db2.gz WYSWQGJJWXDXKA-ZETCQYMHSA-N 0 2 243.244 2.829 20 0 BFADLN CCC(C)(C)CCNC(=O)C(F)C(F)(F)F ZINC000870292267 589656287 /nfs/dbraw/zinc/65/62/87/589656287.db2.gz WYSWQGJJWXDXKA-ZETCQYMHSA-N 0 2 243.244 2.829 20 0 BFADLN CCCCC1=NN(c2cccc(F)n2)C(=O)C1 ZINC000871952343 589840340 /nfs/dbraw/zinc/84/03/40/589840340.db2.gz ZMYGQQAYAGVSJU-UHFFFAOYSA-N 0 2 235.262 2.504 20 0 BFADLN CCCCc1cc(=O)n(-c2cccc(F)n2)[nH]1 ZINC000871952343 589840343 /nfs/dbraw/zinc/84/03/43/589840343.db2.gz ZMYGQQAYAGVSJU-UHFFFAOYSA-N 0 2 235.262 2.504 20 0 BFADLN CC(C)CCC1=NN(c2ncccc2F)C(=O)C1 ZINC000871952299 589840373 /nfs/dbraw/zinc/84/03/73/589840373.db2.gz YUASXDKUKHMRHQ-UHFFFAOYSA-N 0 2 249.289 2.750 20 0 BFADLN CC(C)CCc1cc(=O)n(-c2ncccc2F)[nH]1 ZINC000871952299 589840374 /nfs/dbraw/zinc/84/03/74/589840374.db2.gz YUASXDKUKHMRHQ-UHFFFAOYSA-N 0 2 249.289 2.750 20 0 BFADLN C[N@H+](CCCCC(=O)[O-])c1cccc2cc[nH]c21 ZINC000873644061 590066249 /nfs/dbraw/zinc/06/62/49/590066249.db2.gz SITHYLZVFAHZOH-UHFFFAOYSA-N 0 2 246.310 2.859 20 0 BFADLN C[N@@H+](CCCCC(=O)[O-])c1cccc2cc[nH]c21 ZINC000873644061 590066250 /nfs/dbraw/zinc/06/62/50/590066250.db2.gz SITHYLZVFAHZOH-UHFFFAOYSA-N 0 2 246.310 2.859 20 0 BFADLN CCC[C@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000881532489 591231454 /nfs/dbraw/zinc/23/14/54/591231454.db2.gz RBBDQOOAHQEONP-JGVFFNPUSA-N 0 2 243.244 2.829 20 0 BFADLN CCC[C@H](C)CCNC(=O)C(F)C(F)(F)F ZINC000881532489 591231456 /nfs/dbraw/zinc/23/14/56/591231456.db2.gz RBBDQOOAHQEONP-JGVFFNPUSA-N 0 2 243.244 2.829 20 0 BFADLN CC1(C)CC[C@@H](Nc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000129656354 591347926 /nfs/dbraw/zinc/34/79/26/591347926.db2.gz GCPAGTZTICPLDA-SECBINFHSA-N 0 2 234.299 2.770 20 0 BFADLN C[N@H+](Cc1ccoc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000042448385 600818369 /nfs/dbraw/zinc/81/83/69/600818369.db2.gz XMXKIPKXJOQUCX-ZDUSSCGKSA-N 0 2 245.278 2.537 20 0 BFADLN C[N@@H+](Cc1ccoc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000042448385 600818374 /nfs/dbraw/zinc/81/83/74/600818374.db2.gz XMXKIPKXJOQUCX-ZDUSSCGKSA-N 0 2 245.278 2.537 20 0 BFADLN Cc1csc([C@@H](C#N)C(=O)[C@H]2C[C@@H]2C2CC2)n1 ZINC000176079789 631507461 /nfs/dbraw/zinc/50/74/61/631507461.db2.gz PFQPERUKKGMGPR-VWYCJHECSA-N 0 2 246.335 2.674 20 0 BFADLN N#CC(C(=O)C1CC1)c1nc2ccccc2s1 ZINC000006455370 635381659 /nfs/dbraw/zinc/38/16/59/635381659.db2.gz FBXKSRYMRHVQLQ-VIFPVBQESA-N 0 2 242.303 2.883 20 0 BFADLN N#C[C@@H](C(=O)C1CC1)c1nc2ccccc2s1 ZINC000006455370 635381669 /nfs/dbraw/zinc/38/16/69/635381669.db2.gz FBXKSRYMRHVQLQ-VIFPVBQESA-N 0 2 242.303 2.883 20 0 BFADLN C[C@@H](CC(=O)[O-])[NH2+]c1ccc(N2CCCC2)cc1 ZINC000062996109 641114983 /nfs/dbraw/zinc/11/49/83/641114983.db2.gz MVLYUGRJEAPXPF-NSHDSACASA-N 0 2 248.326 2.562 20 0 BFADLN C[C@@H](CC(=O)[O-])Nc1ccc([NH+]2CCCC2)cc1 ZINC000062996109 641114987 /nfs/dbraw/zinc/11/49/87/641114987.db2.gz MVLYUGRJEAPXPF-NSHDSACASA-N 0 2 248.326 2.562 20 0 BFADLN CCCCCCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000070020577 643451832 /nfs/dbraw/zinc/45/18/32/643451832.db2.gz FNVBIODTWRWMCD-UHFFFAOYSA-N 0 2 222.288 2.772 20 0 BFADLN O=C([O-])c1ccc(N2CCC[C@@H]3CCC[C@@H]32)[nH+]c1 ZINC000087777842 644501015 /nfs/dbraw/zinc/50/10/15/644501015.db2.gz PUNSKNIJBHPFIX-JQWIXIFHSA-N 0 2 246.310 2.549 20 0 BFADLN CC1(NC(=O)C(F)(F)F)CCC(F)(F)CC1 ZINC000752833424 644603879 /nfs/dbraw/zinc/60/38/79/644603879.db2.gz PPGRQNSETIJRNR-UHFFFAOYSA-N 0 2 245.191 2.633 20 0 BFADLN CC(C)N(C(=O)C(F)C(F)(F)F)C1CCC1 ZINC000815676047 644955476 /nfs/dbraw/zinc/95/54/76/644955476.db2.gz BTFVYQLYFGJKTG-QMMMGPOBSA-N 0 2 241.228 2.676 20 0 BFADLN CC(C)N(C(=O)[C@H](F)C(F)(F)F)C1CCC1 ZINC000815676047 644955480 /nfs/dbraw/zinc/95/54/80/644955480.db2.gz BTFVYQLYFGJKTG-QMMMGPOBSA-N 0 2 241.228 2.676 20 0 BFADLN Cc1ccc([C@@H](C)C(=O)NOCCC2CC2)o1 ZINC000817403202 644979392 /nfs/dbraw/zinc/97/93/92/644979392.db2.gz COZZNIPSBSMHJU-SNVBAGLBSA-N 0 2 237.299 2.539 20 0 BFADLN Cc1ccc(SCC(=O)NOC(C)C)cc1 ZINC000382143522 710800007 /nfs/dbraw/zinc/80/00/07/710800007.db2.gz BLCUQLAMACZXHF-UHFFFAOYSA-N 0 2 239.340 2.543 20 0 BFADLN Cc1cc(-c2cccc([S-])c2)c[nH+]c1N ZINC001242867905 970125050 /nfs/dbraw/zinc/12/50/50/970125050.db2.gz VVMQLUOAKYYYFY-UHFFFAOYSA-N 0 2 216.309 2.928 20 0 BFADLN Cc1ncc(-c2cccc(S)c2)cc1N ZINC001242410199 983717093 /nfs/dbraw/zinc/71/70/93/983717093.db2.gz SIWBHUJWPZGTRD-UHFFFAOYSA-N 0 2 216.309 2.928 20 0 BFADLN Cc1cc(-c2cc(F)cc(F)c2O)nc(C)n1 ZINC001243500497 970783237 /nfs/dbraw/zinc/78/32/37/970783237.db2.gz QZTAGQAWZGMRNU-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN CC(C)n1[nH]c(-c2ccc3c(c2)OCO3)cc1=O ZINC001245926600 972099892 /nfs/dbraw/zinc/09/98/92/972099892.db2.gz AWVDFHQLXKGRQZ-UHFFFAOYSA-N 0 2 246.266 2.565 20 0 BFADLN Cc1ccncc1-n1[nH]c(-c2ccoc2)cc1=O ZINC001245940116 972104113 /nfs/dbraw/zinc/10/41/13/972104113.db2.gz UOVPVJMFPGNIKF-UHFFFAOYSA-N 0 2 241.250 2.541 20 0 BFADLN CN(c1cccc([S-])c1)c1[nH+]cccc1N ZINC001210945791 957952442 /nfs/dbraw/zinc/95/24/42/957952442.db2.gz VDSJVMWBVSNYKU-UHFFFAOYSA-N 0 2 231.324 2.720 20 0 BFADLN Cc1ccc(NCc2ccc(C(=O)[O-])o2)c(C)[nH+]1 ZINC000094664189 958300030 /nfs/dbraw/zinc/30/00/30/958300030.db2.gz NCLOXGODGXEOML-UHFFFAOYSA-N 0 2 246.266 2.602 20 0 BFADLN CSc1cccc(Nc2nnc(C)o2)c1F ZINC001215867159 958348843 /nfs/dbraw/zinc/34/88/43/958348843.db2.gz SZAAYSVUAUUCAR-UHFFFAOYSA-N 0 2 239.275 2.983 20 0 BFADLN CCCOc1ccc(F)cc1Nc1nnco1 ZINC001212195302 965420359 /nfs/dbraw/zinc/42/03/59/965420359.db2.gz JCSNMNCONXCTFL-UHFFFAOYSA-N 0 2 237.234 2.741 20 0 BFADLN CC(C)(O)C=CNc1ccc(S)cc1 ZINC001203221444 967111919 /nfs/dbraw/zinc/11/19/19/967111919.db2.gz SHVOGTFHLVPGJR-BQYQJAHWSA-N 0 2 209.314 2.672 20 0 BFADLN O=C([O-])c1sccc1-c1ccn2cc[nH+]c2c1 ZINC001205572468 967701437 /nfs/dbraw/zinc/70/14/37/967701437.db2.gz KCCBKSMALUZFIF-UHFFFAOYSA-N 0 2 244.275 2.761 20 0 BFADLN Cc1ccc(-c2ccc(Cl)c(O)c2F)nn1 ZINC001250521826 968031369 /nfs/dbraw/zinc/03/13/69/968031369.db2.gz QLTSWCGPGSAYFS-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CCC[C@H](O)CNc1ccc(S)cc1 ZINC001252793472 968976379 /nfs/dbraw/zinc/97/63/79/968976379.db2.gz OOUTUTDGNRJGRQ-JTQLQIEISA-N 0 2 211.330 2.548 20 0 BFADLN Cc1cc(C)c(Nc2ccc(C(=O)[O-])nc2)c[nH+]1 ZINC001210170246 969817481 /nfs/dbraw/zinc/81/74/81/969817481.db2.gz KJLXFHYEEADTLL-UHFFFAOYSA-N 0 2 243.266 2.535 20 0 BFADLN Cn1ccc(Nc2nc3cc(Cl)ccc3o2)n1 ZINC001210348327 969874248 /nfs/dbraw/zinc/87/42/48/969874248.db2.gz QSVWPHLKHJDARD-UHFFFAOYSA-N 0 2 248.673 2.958 20 0 BFADLN Oc1c(F)cccc1-c1nccnc1C(F)F ZINC001242351279 969899543 /nfs/dbraw/zinc/89/95/43/969899543.db2.gz QCDKLJRHHHTSDC-UHFFFAOYSA-N 0 2 240.184 2.926 20 0 BFADLN CC(C)c1nnc(Nc2cc(O)ccc2F)o1 ZINC001210798762 970041369 /nfs/dbraw/zinc/04/13/69/970041369.db2.gz JYOVMHXTAIRDND-UHFFFAOYSA-N 0 2 237.234 2.781 20 0 BFADLN CC[C@H](NC(=O)C(F)(F)F)c1ccc(F)cc1 ZINC001327895020 972791822 /nfs/dbraw/zinc/79/18/22/972791822.db2.gz ALCQNEQLMNBWLS-VIFPVBQESA-N 0 2 249.207 2.955 20 0 BFADLN CC1(C)CN(C(=O)C(F)C(F)(F)F)C1(C)C ZINC001329990069 974067374 /nfs/dbraw/zinc/06/73/74/974067374.db2.gz CERZXTGTNZANPW-ZCFIWIBFSA-N 0 2 241.228 2.534 20 0 BFADLN CC1(C)CN(C(=O)[C@@H](F)C(F)(F)F)C1(C)C ZINC001329990069 974067380 /nfs/dbraw/zinc/06/73/80/974067380.db2.gz CERZXTGTNZANPW-ZCFIWIBFSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H]1COCC[C@@H]1Oc1ccc(S)cc1 ZINC001225557552 974551729 /nfs/dbraw/zinc/55/17/29/974551729.db2.gz HONFAJFDSOJBMG-CABZTGNLSA-N 0 2 224.325 2.779 20 0 BFADLN CC[C@H]1CCCC[C@H]1Oc1nc(=O)[nH]cc1F ZINC001225881076 974711391 /nfs/dbraw/zinc/71/13/91/974711391.db2.gz DQJKCKMXGNKWML-WCBMZHEXSA-N 0 2 240.278 2.669 20 0 BFADLN CCC[C@H](Oc1nc(=O)[nH]cc1F)C(C)(C)C ZINC001225880919 974712697 /nfs/dbraw/zinc/71/26/97/974712697.db2.gz CANOSSHVGDOASI-VIFPVBQESA-N 0 2 242.294 2.915 20 0 BFADLN CCCCC[C@@H](C)Oc1nc(=O)[nH]cc1F ZINC001225882441 974715089 /nfs/dbraw/zinc/71/50/89/974715089.db2.gz SZWRTFNDRMREAP-MRVPVSSYSA-N 0 2 228.267 2.669 20 0 BFADLN CCC1CCC(Oc2nc(=O)[nH]cc2F)CC1 ZINC001225885064 974717502 /nfs/dbraw/zinc/71/75/02/974717502.db2.gz KTHGYUYWZWLQLQ-UHFFFAOYSA-N 0 2 240.278 2.669 20 0 BFADLN CC[C@@H](COc1cccc(S)c1)OC ZINC001226013995 974763203 /nfs/dbraw/zinc/76/32/03/974763203.db2.gz NVAIRGHHMPUFKU-VIFPVBQESA-N 0 2 212.314 2.779 20 0 BFADLN CCC[C@H](CC)Oc1nc(C)[nH]c(=O)c1F ZINC001226418874 974889320 /nfs/dbraw/zinc/88/93/20/974889320.db2.gz DPUNVBXLEWPJIS-QMMMGPOBSA-N 0 2 228.267 2.587 20 0 BFADLN COC[C@H](C)Oc1ccc(S)cc1C ZINC001229635278 976921026 /nfs/dbraw/zinc/92/10/26/976921026.db2.gz VBXUSEKQYYHNLK-VIFPVBQESA-N 0 2 212.314 2.697 20 0 BFADLN COc1ncc(C)cc1Nc1nnc(C(C)C)o1 ZINC001175337329 977384712 /nfs/dbraw/zinc/38/47/12/977384712.db2.gz OSEABBPMMIJJHV-UHFFFAOYSA-N 0 2 248.286 2.649 20 0 BFADLN [S-]c1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC001233261106 978515549 /nfs/dbraw/zinc/51/55/49/978515549.db2.gz BQMHHTKPRPQHLV-UHFFFAOYSA-N 0 2 242.347 2.886 20 0 BFADLN [S-]c1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC001233261106 978515557 /nfs/dbraw/zinc/51/55/57/978515557.db2.gz BQMHHTKPRPQHLV-UHFFFAOYSA-N 0 2 242.347 2.886 20 0 BFADLN Cc1ccc(N(C)[C@@H](C)C2(C)CC2)[nH+]c1C(=O)[O-] ZINC001600432135 978692095 /nfs/dbraw/zinc/69/20/95/978692095.db2.gz BQMYMWSBDHBCGY-JTQLQIEISA-N 0 2 248.326 2.713 20 0 BFADLN Cc1ccc(NCC2(C)CCC2)[nH+]c1C(=O)[O-] ZINC001600459601 978694310 /nfs/dbraw/zinc/69/43/10/978694310.db2.gz PBVQGKYRSVZCNO-UHFFFAOYSA-N 0 2 234.299 2.690 20 0 BFADLN Cc1ccc(N[C@H]2CCC[C@H]2C)[nH+]c1C(=O)[O-] ZINC001600459440 978694390 /nfs/dbraw/zinc/69/43/90/978694390.db2.gz HMEFQXVMBUQOIL-SCZZXKLOSA-N 0 2 234.299 2.689 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@H](C)C(C)(C)C ZINC001600685487 978718591 /nfs/dbraw/zinc/71/85/91/978718591.db2.gz NSWLDXVFAKBBCK-QMMMGPOBSA-N 0 2 224.304 2.572 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@@H]1CCCC[C@@H]1C ZINC001600685150 978719375 /nfs/dbraw/zinc/71/93/75/978719375.db2.gz AZUJOVPSVHSMIB-ONGXEEELSA-N 0 2 236.315 2.716 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@H]1CCCC[C@H]1C ZINC001600685149 978719520 /nfs/dbraw/zinc/71/95/20/978719520.db2.gz AZUJOVPSVHSMIB-MWLCHTKSSA-N 0 2 236.315 2.716 20 0 BFADLN O=C([O-])Cc1cc[nH+]c(NCC2=CCCCC2)c1 ZINC001602150132 979068649 /nfs/dbraw/zinc/06/86/49/979068649.db2.gz HMUCZSMOEUHWPH-UHFFFAOYSA-N 0 2 246.310 2.621 20 0 BFADLN Nc1ccc(-c2cccc([S-])c2)c[nH+]1 ZINC001236313454 979519501 /nfs/dbraw/zinc/51/95/01/979519501.db2.gz RGMDJXHCVKWAAF-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN CCC(CC)CNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001605016876 979798602 /nfs/dbraw/zinc/79/86/02/979798602.db2.gz JEOIZJOOGQVBNZ-UHFFFAOYSA-N 0 2 236.315 2.557 20 0 BFADLN Cc1ccc(NC2CCCCC2)[nH+]c1C(=O)[O-] ZINC001607807715 980130872 /nfs/dbraw/zinc/13/08/72/980130872.db2.gz UDTWPFMZXMIXRM-UHFFFAOYSA-N 0 2 234.299 2.833 20 0 BFADLN CC[C@]1(C)CCN(c2ccc(C)c(C(=O)[O-])[nH+]2)C1 ZINC001595371084 980847067 /nfs/dbraw/zinc/84/70/67/980847067.db2.gz OIXUHRZRTXNMDO-CQSZACIVSA-N 0 2 248.326 2.715 20 0 BFADLN Oc1cc(C(F)(F)F)ccc1-c1ncccn1 ZINC001250445311 981114243 /nfs/dbraw/zinc/11/42/43/981114243.db2.gz OFTYYROWCDMEKF-UHFFFAOYSA-N 0 2 240.184 2.868 20 0 BFADLN Oc1ccc(F)cc1-c1ncc2c(n1)CCCC2 ZINC001240696101 981606153 /nfs/dbraw/zinc/60/61/53/981606153.db2.gz ATIVVUHHGOEPCK-UHFFFAOYSA-N 0 2 244.269 2.867 20 0 BFADLN Oc1ccc(F)cc1-c1ncc(C(F)F)cn1 ZINC001240696111 981606707 /nfs/dbraw/zinc/60/67/07/981606707.db2.gz BAQIFBVHXGOURZ-UHFFFAOYSA-N 0 2 240.184 2.926 20 0 BFADLN Cc1n[nH]c(SCc2csc(C)c2)n1 ZINC001354149324 983174913 /nfs/dbraw/zinc/17/49/13/983174913.db2.gz NMPSDCJFHXCCGD-UHFFFAOYSA-N 0 2 225.342 2.775 20 0 BFADLN CC(C)NC(=S)Nc1ccccc1S ZINC001200785777 983365461 /nfs/dbraw/zinc/36/54/61/983365461.db2.gz UQINRSJELQUIHA-UHFFFAOYSA-N 0 2 226.370 2.670 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cc(C(=O)[O-])cc(F)c1C ZINC001242211151 983408786 /nfs/dbraw/zinc/40/87/86/983408786.db2.gz UEBWXCJOQCBRCH-MSLMYCKWSA-N 0 2 235.258 2.708 20 0 BFADLN Oc1c(F)cccc1-c1nncc2ccoc21 ZINC001242351063 983623290 /nfs/dbraw/zinc/62/32/90/983623290.db2.gz YCBBRDAELMFZDE-UHFFFAOYSA-N 0 2 230.198 2.735 20 0 BFADLN CN(C)c1cc(-c2cccc(Cl)c2O)ncn1 ZINC001242362459 983649867 /nfs/dbraw/zinc/64/98/67/983649867.db2.gz JZUDBXYHJPBZFH-UHFFFAOYSA-N 0 2 249.701 2.569 20 0 BFADLN Nc1cnc(-c2cccc(Cl)c2O)c(F)c1 ZINC001242363739 983654761 /nfs/dbraw/zinc/65/47/61/983654761.db2.gz JKJDFBVBFKZTFO-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN Oc1c(Cl)cccc1-c1ccc(F)nn1 ZINC001242363903 983655114 /nfs/dbraw/zinc/65/51/14/983655114.db2.gz LMMDVQQXBVRORF-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Oc1c(Cl)cccc1-c1cccc2[nH]nnc21 ZINC001242367719 983661651 /nfs/dbraw/zinc/66/16/51/983661651.db2.gz QUGUDXRJZGAMIC-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN CCNC(=O)Nc1ccc(Cl)c(Cl)c1O ZINC001202549387 984013615 /nfs/dbraw/zinc/01/36/15/984013615.db2.gz WZMBKSJFURUVIM-UHFFFAOYSA-N 0 2 249.097 2.840 20 0 BFADLN Cn1ccc2nc(-c3cccc(S)c3)cnc21 ZINC001242866918 984212356 /nfs/dbraw/zinc/21/23/56/984212356.db2.gz IENITOHYMPHNLZ-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Cc1nnc2cc(-c3cccc(S)c3)ccn12 ZINC001242867133 984213230 /nfs/dbraw/zinc/21/32/30/984213230.db2.gz LJITXIHXPRBQGQ-UHFFFAOYSA-N 0 2 241.319 2.993 20 0 BFADLN Cn1c[nH+]cc1-c1ccc2[n-]c(=S)sc2c1 ZINC001243067763 984483956 /nfs/dbraw/zinc/48/39/56/984483956.db2.gz PHLBJFHPYVABKG-UHFFFAOYSA-N 0 2 247.348 2.986 20 0 BFADLN Cc1cnc(C)nc1-c1cc(F)cc(F)c1O ZINC001243499988 985055934 /nfs/dbraw/zinc/05/59/34/985055934.db2.gz JUIXIFKVELJPQI-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN Cn1cncc1-c1ccc(Cl)c(O)c1F ZINC001244630048 986292923 /nfs/dbraw/zinc/29/29/23/986292923.db2.gz NKHNNAKVUVQEBZ-UHFFFAOYSA-N 0 2 226.638 2.585 20 0 BFADLN Oc1c(Cl)ccc(-c2ccc(F)nn2)c1F ZINC001244631334 986294414 /nfs/dbraw/zinc/29/44/14/986294414.db2.gz VZNGEJDLPVDMOR-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN CC(C)n1[nH]c(-c2ccc(F)cc2)cc1=O ZINC001245917563 987151258 /nfs/dbraw/zinc/15/12/58/987151258.db2.gz JVAZWOZBTMBKOO-UHFFFAOYSA-N 0 2 220.247 2.976 20 0 BFADLN COc1ccc(-c2cc(=O)n(CC(C)C)[nH]2)cc1 ZINC001245920886 987159649 /nfs/dbraw/zinc/15/96/49/987159649.db2.gz XJOIFSQWVXNTPZ-UHFFFAOYSA-N 0 2 246.310 2.920 20 0 BFADLN CC1=NN(C2CCC(F)(F)CC2)C(=O)C1 ZINC001245928240 987190455 /nfs/dbraw/zinc/19/04/55/987190455.db2.gz RXBRNMSZONJSHK-UHFFFAOYSA-N 0 2 216.231 2.648 20 0 BFADLN CC1=NN([C@H]2CCc3ccccc3C2)C(=O)C1 ZINC001245928143 987190470 /nfs/dbraw/zinc/19/04/70/987190470.db2.gz OHUFSLCNDDTPBT-ZDUSSCGKSA-N 0 2 228.295 2.627 20 0 BFADLN CC(=N)N1N=C(c2ccc(F)c(C)c2)CC1=O ZINC001245945399 987220548 /nfs/dbraw/zinc/22/05/48/987220548.db2.gz YEJCVWZOJHPGGT-UHFFFAOYSA-N 0 2 233.246 2.548 20 0 BFADLN COCCn1[nH]c(-c2cc(C)cc(C)c2)cc1=O ZINC001245947909 987225756 /nfs/dbraw/zinc/22/57/56/987225756.db2.gz BVPFRFDRZXLYBU-UHFFFAOYSA-N 0 2 246.310 2.519 20 0 BFADLN CC(=N)N1N=C(c2cc(C)cc(C)c2)CC1=O ZINC001245948211 987226239 /nfs/dbraw/zinc/22/62/39/987226239.db2.gz HEKXYPFYYARSKW-UHFFFAOYSA-N 0 2 229.283 2.718 20 0 BFADLN COc1nonc1Nc1cccc(Cl)c1F ZINC001203032007 991635244 /nfs/dbraw/zinc/63/52/44/991635244.db2.gz KKXLVDXQQBESID-UHFFFAOYSA-N 0 2 243.625 2.614 20 0 BFADLN O=S(=O)(Nc1ccc(C2CC2)cc1)C(F)F ZINC001259959737 992059776 /nfs/dbraw/zinc/05/97/76/992059776.db2.gz VTOXSWBONOETFH-UHFFFAOYSA-N 0 2 247.266 2.528 20 0 BFADLN CCC[N@H+](CC(=O)[O-])Cc1cscc1Cl ZINC001573854125 992736337 /nfs/dbraw/zinc/73/63/37/992736337.db2.gz QHKSLWAOHWBEFQ-UHFFFAOYSA-N 0 2 247.747 2.698 20 0 BFADLN CCC[N@@H+](CC(=O)[O-])Cc1cscc1Cl ZINC001573854125 992736350 /nfs/dbraw/zinc/73/63/50/992736350.db2.gz QHKSLWAOHWBEFQ-UHFFFAOYSA-N 0 2 247.747 2.698 20 0 BFADLN Cc1ccc(N2N=C3[C@@H](CC[C@@H]3C)C2=O)cc1 ZINC000634583154 342800387 /nfs/dbraw/zinc/80/03/87/342800387.db2.gz MSFPACZPNYQKLJ-CMPLNLGQSA-N 0 2 228.295 2.744 20 0 BFADLN C[C@H]1CCC2=NN(c3ccccc3)C(=O)[C@H]2C1 ZINC000634582215 342797876 /nfs/dbraw/zinc/79/78/76/342797876.db2.gz NGZMZYXNBWSDHJ-JQWIXIFHSA-N 0 2 228.295 2.825 20 0 BFADLN CC(C)CN1N=C(c2cccs2)[C@H](C)C1=O ZINC000634583752 342815255 /nfs/dbraw/zinc/81/52/55/342815255.db2.gz HBHNHYGVUHNPFA-VIFPVBQESA-N 0 2 236.340 2.587 20 0 BFADLN CC(C)c1nsc(N[C@H]2CCC2(C)C)n1 ZINC000379957711 538982900 /nfs/dbraw/zinc/98/29/00/538982900.db2.gz LYVRINXWPRQUDC-QMMMGPOBSA-N 0 2 225.361 2.684 20 0 BFADLN CCCCC1=NN(c2ccncc2)C(=O)[C@H]1C ZINC000634591624 342943376 /nfs/dbraw/zinc/94/33/76/342943376.db2.gz IVGQPNIUPDMUBK-JTQLQIEISA-N 0 2 231.299 2.611 20 0 BFADLN CSc1ccc(N2N=C(C)[C@@H](C)C2=O)cc1 ZINC000634594054 342953302 /nfs/dbraw/zinc/95/33/02/342953302.db2.gz JGPVUXZBYJCSNQ-MRVPVSSYSA-N 0 2 234.324 2.767 20 0 BFADLN O=C1CC(C2CCC2)=NN1c1ncccc1Cl ZINC000634595245 342956593 /nfs/dbraw/zinc/95/65/93/342956593.db2.gz VDIDVUKGDRKZPB-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=c1cc(C2CCC2)[nH]n1-c1ncccc1Cl ZINC000634595245 342956594 /nfs/dbraw/zinc/95/65/94/342956594.db2.gz VDIDVUKGDRKZPB-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN C[C@@H](C1CC1)N1N=C(c2cccs2)[C@@H](C)C1=O ZINC000634597417 342973891 /nfs/dbraw/zinc/97/38/91/342973891.db2.gz JROWDFFQOLRJHE-BDAKNGLRSA-N 0 2 248.351 2.729 20 0 BFADLN CCCC1=NN(C2CCC(C)CC2)C(=O)C1 ZINC000634599996 342991324 /nfs/dbraw/zinc/99/13/24/342991324.db2.gz UYACBKZOBDXTMS-UHFFFAOYSA-N 0 2 222.332 2.954 20 0 BFADLN C[C@H](c1ccccc1)n1[nH]c2c(c1=O)CCC2 ZINC000634599760 342988957 /nfs/dbraw/zinc/98/89/57/342988957.db2.gz PMUYPQCBNPLGDW-PWSUYJOCSA-N 0 2 228.295 2.746 20 0 BFADLN CCCCC1=NN(c2ccncc2C)C(=O)[C@@H]1C ZINC000634606594 343001946 /nfs/dbraw/zinc/00/19/46/343001946.db2.gz WUGOEVBSFLYCIG-LLVKDONJSA-N 0 2 245.326 2.919 20 0 BFADLN CCCCC1=NN(c2ccnc(C)c2)C(=O)[C@H]1C ZINC000634619121 343017920 /nfs/dbraw/zinc/01/79/20/343017920.db2.gz PMEMQIVCAIERFT-NSHDSACASA-N 0 2 245.326 2.919 20 0 BFADLN CCCCC1=NN(c2ccnc(C)c2)C(=O)[C@@H]1C ZINC000634619120 343018036 /nfs/dbraw/zinc/01/80/36/343018036.db2.gz PMEMQIVCAIERFT-LLVKDONJSA-N 0 2 245.326 2.919 20 0 BFADLN Cc1cnccc1C(=O)N(C)[C@H](C)C1CCC1 ZINC000350552749 136361809 /nfs/dbraw/zinc/36/18/09/136361809.db2.gz FAYULZLMYZEJLX-LLVKDONJSA-N 0 2 232.327 2.651 20 0 BFADLN CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)CF ZINC000351103344 136367796 /nfs/dbraw/zinc/36/77/96/136367796.db2.gz QZSPAVOYNHVAID-GMTAPVOTSA-N 0 2 230.327 2.612 20 0 BFADLN Cc1n[nH]c(NC(=O)C[C@H](C)CC(C)(C)C)n1 ZINC000112703240 343498644 /nfs/dbraw/zinc/49/86/44/343498644.db2.gz FBNXKJFOSWYMHR-QMMMGPOBSA-N 0 2 238.335 2.514 20 0 BFADLN O=C([O-])c1cccc(N[C@@H]2CCCC23CC3)[nH+]1 ZINC000634964320 345133584 /nfs/dbraw/zinc/13/35/84/345133584.db2.gz UDBHWHCECVDJRQ-SNVBAGLBSA-N 0 2 232.283 2.524 20 0 BFADLN O=C([O-])c1ccc(N[C@@H]2CCCC23CC3)[nH+]c1 ZINC000634964455 345134658 /nfs/dbraw/zinc/13/46/58/345134658.db2.gz YWRPUHCJDSTYPQ-SNVBAGLBSA-N 0 2 232.283 2.524 20 0 BFADLN COc1ccc([C@@H](C)[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000179937543 187308602 /nfs/dbraw/zinc/30/86/02/187308602.db2.gz NLTUICGSZAHFTQ-LLVKDONJSA-N 0 2 245.326 2.611 20 0 BFADLN CC(C)CCCC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000410484816 191044244 /nfs/dbraw/zinc/04/42/44/191044244.db2.gz RJQLTZMTMBQTDN-UHFFFAOYSA-N 0 2 247.342 2.541 20 0 BFADLN Cc1cc(=NC(=O)CCCCC(C)C)[nH]nc1C ZINC000410482069 191044543 /nfs/dbraw/zinc/04/45/43/191044543.db2.gz ANIPVUVMMRAUOP-UHFFFAOYSA-N 0 2 249.358 2.670 20 0 BFADLN CC(C)(C)n1nccc1NC(=O)[C@@H]1CC=CCC1 ZINC000107123275 191068684 /nfs/dbraw/zinc/06/86/84/191068684.db2.gz FWJPAUKOUIFPAU-LLVKDONJSA-N 0 2 247.342 2.933 20 0 BFADLN Cc1nnc(NC(=O)/C=C2\CC[C@H](C)C2)s1 ZINC000267856383 180429294 /nfs/dbraw/zinc/42/92/94/180429294.db2.gz MOQNBWJDUADHKL-QCCBYXMRSA-N 0 2 237.328 2.531 20 0 BFADLN O=c1[nH]nc(SCc2ccc(Cl)s2)[nH]1 ZINC000336482851 188057580 /nfs/dbraw/zinc/05/75/80/188057580.db2.gz XSYSZXAMNAIGTM-UHFFFAOYSA-N 0 2 247.732 2.518 20 0 BFADLN C[C@@H]1c2ccccc2C[N@H+]1CCc1c[nH+]cn1C ZINC000334557534 354004093 /nfs/dbraw/zinc/00/40/93/354004093.db2.gz CZJXXNJNFVGCQO-GFCCVEGCSA-N 0 2 241.338 2.539 20 0 BFADLN Cc1nsc(NC2CCC(C(F)F)CC2)n1 ZINC000334646383 354436424 /nfs/dbraw/zinc/43/64/24/354436424.db2.gz IDUMPJUTAYXVQG-UHFFFAOYSA-N 0 2 247.314 2.504 20 0 BFADLN Cc1n[nH]c(=NC[C@@H]2CCC[C@H]2C2CC2)s1 ZINC000413486341 191387768 /nfs/dbraw/zinc/38/77/68/191387768.db2.gz YBTDPQUTTYBBDO-QWRGUYRKSA-N 0 2 237.372 2.507 20 0 BFADLN C1CC1c1nnc(N[C@H](C2CC2)C2CCC2)s1 ZINC000413354321 191374305 /nfs/dbraw/zinc/37/43/05/191374305.db2.gz GJHKGURRDGDRQY-NSHDSACASA-N 0 2 249.383 2.828 20 0 BFADLN CCC(CC)(CC)CN=c1ccc(OC)n[nH]1 ZINC000351565601 356020226 /nfs/dbraw/zinc/02/02/26/356020226.db2.gz BSLWZEJCAKWYCM-UHFFFAOYSA-N 0 2 237.347 2.535 20 0 BFADLN CC(F)(F)CCCN=c1nc(C(C)(C)C)o[nH]1 ZINC000450559846 202196900 /nfs/dbraw/zinc/19/69/00/202196900.db2.gz QFULGVSAYUSJLU-UHFFFAOYSA-N 0 2 247.289 2.636 20 0 BFADLN CC(F)(F)CCN=c1[nH]nc(C(C)(C)C)s1 ZINC000450549742 202194072 /nfs/dbraw/zinc/19/40/72/202194072.db2.gz AJUKRGZBABUWGT-UHFFFAOYSA-N 0 2 249.330 2.715 20 0 BFADLN Cc1ccc(C[N@H+](C)CCc2cc[nH+]cc2C)o1 ZINC000582662921 357356703 /nfs/dbraw/zinc/35/67/03/357356703.db2.gz GOVPCNWXMLXMHR-UHFFFAOYSA-N 0 2 244.338 2.966 20 0 BFADLN c1[nH+]c2n(c1C[N@H+]1CCCC3(CC3)CC1)CCC2 ZINC000628480214 359317757 /nfs/dbraw/zinc/31/77/57/359317757.db2.gz FCIRSECVZUXNIV-UHFFFAOYSA-N 0 2 245.370 2.595 20 0 BFADLN CC[N@@H+](Cc1ccc(C(C)C)nc1C)C1COC1 ZINC000451286619 202394972 /nfs/dbraw/zinc/39/49/72/202394972.db2.gz DHAWNUDWIONGRS-UHFFFAOYSA-N 0 2 248.370 2.734 20 0 BFADLN CCCc1cc(=O)n(-c2nc3ccccc3o2)[nH]1 ZINC000614186083 363748466 /nfs/dbraw/zinc/74/84/66/363748466.db2.gz UPPMXXHQTFUUMD-UHFFFAOYSA-N 0 2 243.266 2.721 20 0 BFADLN CC(C)(C)NC(=O)c1cc(F)cc(Cl)c1O ZINC000436513818 201332347 /nfs/dbraw/zinc/33/23/47/201332347.db2.gz MWUGAKOPXMFTMA-UHFFFAOYSA-N 0 2 245.681 2.713 20 0 BFADLN C[C@H]1CC[C@@H](c2nc(=O)c3sccc3[nH]2)O1 ZINC000630384552 364097337 /nfs/dbraw/zinc/09/73/37/364097337.db2.gz BNYWUFJHYMUEGX-XPUUQOCRSA-N 0 2 236.296 2.637 20 0 BFADLN Cc1nc(=Nc2ccc3ccoc3c2)s[nH]1 ZINC000443492934 193021765 /nfs/dbraw/zinc/02/17/65/193021765.db2.gz VMAVTHQZKTXDCM-UHFFFAOYSA-N 0 2 231.280 2.758 20 0 BFADLN CCCC[C@@H](C(=O)[O-])[N@H+](CCC)CC(F)F ZINC000385697225 367856098 /nfs/dbraw/zinc/85/60/98/367856098.db2.gz FOISGYUTNRHNGT-VIFPVBQESA-N 0 2 237.290 2.607 20 0 BFADLN CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)CC(F)F ZINC000385697225 367856104 /nfs/dbraw/zinc/85/61/04/367856104.db2.gz FOISGYUTNRHNGT-VIFPVBQESA-N 0 2 237.290 2.607 20 0 BFADLN C[C@@H]1CCCC[C@H]1Nc1[nH+]cccc1C(=O)[O-] ZINC000020000247 371215502 /nfs/dbraw/zinc/21/55/02/371215502.db2.gz WKWDPQCMTIJIJA-MWLCHTKSSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@@H](CCc1ccccc1)Sc1n[nH]c(=O)[nH]1 ZINC000194637708 206102466 /nfs/dbraw/zinc/10/24/66/206102466.db2.gz FGRUABYAHLPKPX-VIFPVBQESA-N 0 2 249.339 2.624 20 0 BFADLN CCCN(C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000336351823 169059397 /nfs/dbraw/zinc/05/93/97/169059397.db2.gz CULIFPUZYZJFKF-UHFFFAOYSA-N 0 2 245.681 2.667 20 0 BFADLN Cc1cc(C)cc([N@H+](C)CCCCC(=O)[O-])c1 ZINC000049987443 384584058 /nfs/dbraw/zinc/58/40/58/384584058.db2.gz UJPKVUMPTAVFBL-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN Cc1cc(C)cc([N@@H+](C)CCCCC(=O)[O-])c1 ZINC000049987443 384584062 /nfs/dbraw/zinc/58/40/62/384584062.db2.gz UJPKVUMPTAVFBL-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN CC(C)[C@H](C)CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000175826002 384967481 /nfs/dbraw/zinc/96/74/81/384967481.db2.gz NCFMRPDTRGKDQI-SECBINFHSA-N 0 2 246.314 2.579 20 0 BFADLN Cc1n[nH]c(=NC[C@@H]2CCCCC2(F)F)s1 ZINC000336232754 385058837 /nfs/dbraw/zinc/05/88/37/385058837.db2.gz POCFFEORXNDJNR-QMMMGPOBSA-N 0 2 247.314 2.506 20 0 BFADLN C[C@@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C[C@@H](C)C1 ZINC000647447029 385035074 /nfs/dbraw/zinc/03/50/74/385035074.db2.gz GHWWXRIUVDQXRV-MNOVXSKESA-N 0 2 248.326 2.652 20 0 BFADLN CCC[C@H]1CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000647451688 385038389 /nfs/dbraw/zinc/03/83/89/385038389.db2.gz DWUGFKJNIDNZFW-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN C[C@H]1CN(c2ccc(C(=O)[O-])c[nH+]2)CC(C)(C)C1 ZINC000647452858 385041650 /nfs/dbraw/zinc/04/16/50/385041650.db2.gz NKZWNHMVIXRAMT-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@@H]1CCN(c2[nH+]cccc2C(=O)[O-])CC1(C)C ZINC000647452860 385042101 /nfs/dbraw/zinc/04/21/01/385042101.db2.gz NMHHMWVWXCHTGT-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN CCONC(=O)[C@@H](CC)Sc1ccccc1 ZINC000110616707 385250271 /nfs/dbraw/zinc/25/02/71/385250271.db2.gz BSUJNUPSJYGVBB-LLVKDONJSA-N 0 2 239.340 2.625 20 0 BFADLN C1=CCC(Nc2nc(C3CCCC3)ns2)C1 ZINC000643186304 385616639 /nfs/dbraw/zinc/61/66/39/385616639.db2.gz PZIUAKDJEAEHLZ-UHFFFAOYSA-N 0 2 235.356 2.748 20 0 BFADLN CC(C)CCCSc1n[n-]c(=[NH2+])n1C1CC1 ZINC000336679010 385618606 /nfs/dbraw/zinc/61/86/06/385618606.db2.gz QSOGLLXCEFLIIX-UHFFFAOYSA-N 0 2 240.376 2.554 20 0 BFADLN CC(C)[C@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000416414813 386297775 /nfs/dbraw/zinc/29/77/75/386297775.db2.gz INXMCPBAASTHBG-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN CC[C@H]1CC[C@H](C)N1c1cccc(C(=O)[O-])[nH+]1 ZINC000136205748 386569679 /nfs/dbraw/zinc/56/96/79/386569679.db2.gz MLDXUJWEEKXICQ-UWVGGRQHSA-N 0 2 234.299 2.547 20 0 BFADLN CN(C(=O)c1cc(F)c(O)c(F)c1)C(C)(C)C ZINC000335522083 386661003 /nfs/dbraw/zinc/66/10/03/386661003.db2.gz QZAMMVUFJPZNDG-UHFFFAOYSA-N 0 2 243.253 2.541 20 0 BFADLN Fc1cccc2c1CCC[C@@H]2N=c1[nH]ncs1 ZINC000334793142 386860820 /nfs/dbraw/zinc/86/08/20/386860820.db2.gz MKKWKFOMACDXCP-NSHDSACASA-N 0 2 249.314 2.589 20 0 BFADLN CC[C@@](C)([NH2+]CCCCC(=O)[O-])C(F)(F)F ZINC000519025361 386987896 /nfs/dbraw/zinc/98/78/96/386987896.db2.gz QMEPLBFCBZNOKF-SECBINFHSA-N 0 2 241.253 2.562 20 0 BFADLN Cc1cc(=NC(=O)C[C@@H](C)CC(C)C)[nH]nc1C ZINC000359509955 387113075 /nfs/dbraw/zinc/11/30/75/387113075.db2.gz ZIGVPQYHQRHNFD-JTQLQIEISA-N 0 2 249.358 2.526 20 0 BFADLN Cc1cccc([C@H](C)Sc2n[nH]c(=O)[nH]2)c1 ZINC000187633710 387208975 /nfs/dbraw/zinc/20/89/75/387208975.db2.gz UDUNPQJOEPZJSC-QMMMGPOBSA-N 0 2 235.312 2.672 20 0 BFADLN CC[C@H](Sc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000187643830 387213034 /nfs/dbraw/zinc/21/30/34/387213034.db2.gz NOCLYVQXTHLWMT-VIFPVBQESA-N 0 2 235.312 2.754 20 0 BFADLN CCCc1nsc(N[C@@H]2CCC[C@H](F)C2)n1 ZINC000515379412 387370702 /nfs/dbraw/zinc/37/07/02/387370702.db2.gz XPBAJQQTJQMMAQ-DTWKUNHWSA-N 0 2 243.351 2.605 20 0 BFADLN C[C@H]([NH2+]c1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000057537118 132365786 /nfs/dbraw/zinc/36/57/86/132365786.db2.gz GSUBSLOIJFFMIS-NSHDSACASA-N 0 2 248.326 2.562 20 0 BFADLN CC[C@@H]1CC[C@H](C)N(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263201123 135339683 /nfs/dbraw/zinc/33/96/83/135339683.db2.gz VBJGQOAMYCJHKH-WDEREUQCSA-N 0 2 248.326 2.795 20 0 BFADLN O=C([O-])c1cccc(NC2CCC3(CC3)CC2)[nH+]1 ZINC000263443923 135355361 /nfs/dbraw/zinc/35/53/61/135355361.db2.gz XYZFDFCOXDBGHU-UHFFFAOYSA-N 0 2 246.310 2.915 20 0 BFADLN C[C@H]1CC[C@H]1NC(=O)c1cccc2cnccc21 ZINC000334354275 135369997 /nfs/dbraw/zinc/36/99/97/135369997.db2.gz ZGHBYJNOMRCIRC-IINYFYTJSA-N 0 2 240.306 2.763 20 0 BFADLN CC(C)C1CCN(c2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000232546681 135660938 /nfs/dbraw/zinc/66/09/38/135660938.db2.gz CNWRIKZKZFBFCV-UHFFFAOYSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@H]1CC(C)(C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000414524636 397960083 /nfs/dbraw/zinc/96/00/83/397960083.db2.gz KGJYCYRITDYICR-LBPRGKRZSA-N 0 2 243.354 2.955 20 0 BFADLN CCCC(C)(C)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000649738593 398079887 /nfs/dbraw/zinc/07/98/87/398079887.db2.gz NREAMIQURVPITP-UHFFFAOYSA-N 0 2 247.342 2.541 20 0 BFADLN C=CC[C@H](CC)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000393776472 487581379 /nfs/dbraw/zinc/58/13/79/487581379.db2.gz NKBXIQRWYUZBJO-JTQLQIEISA-N 0 2 220.272 2.546 20 0 BFADLN C[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C[C@@H](C)C1 ZINC000650765530 410416536 /nfs/dbraw/zinc/41/65/36/410416536.db2.gz ULYRWZVTEIRILH-QWRGUYRKSA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)[C@@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650769508 410419540 /nfs/dbraw/zinc/41/95/40/410419540.db2.gz YTYHGZHUPCAJCM-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN O=c1cc(-c2ccccc2)[nH]n1C1CCCCC1 ZINC000104168931 410927304 /nfs/dbraw/zinc/92/73/04/410927304.db2.gz OXGHJLPFWLMATP-UHFFFAOYSA-N 0 2 242.322 2.956 20 0 BFADLN CCc1nsc(NCC23CCC(CC2)C3)n1 ZINC000336779894 411187220 /nfs/dbraw/zinc/18/72/20/411187220.db2.gz PSJCJPOJEFROSJ-UHFFFAOYSA-N 0 2 237.372 2.515 20 0 BFADLN CC(C)n1ccc(NCc2cccc(O)c2)n1 ZINC000280395155 167766951 /nfs/dbraw/zinc/76/69/51/167766951.db2.gz XDXQYXHQSURVRE-UHFFFAOYSA-N 0 2 231.299 2.782 20 0 BFADLN Cc1cc2[nH]c([C@H]3CCCO3)nc(=O)c2s1 ZINC000656490906 411285671 /nfs/dbraw/zinc/28/56/71/411285671.db2.gz HMDANMLIQSSPCT-MRVPVSSYSA-N 0 2 236.296 2.557 20 0 BFADLN CCC1(C)CCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000062959709 411334537 /nfs/dbraw/zinc/33/45/37/411334537.db2.gz BKUBXSTYMRASEN-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN CC1(CSCc2n[nH]c(=O)[nH]2)CCCCC1 ZINC000333452227 168051599 /nfs/dbraw/zinc/05/15/99/168051599.db2.gz SAJFOTRWUOKILC-UHFFFAOYSA-N 0 2 241.360 2.714 20 0 BFADLN CN(C)c1ccc(-c2cccc(C(=O)[O-])c2)c[nH+]1 ZINC000049830921 172547577 /nfs/dbraw/zinc/54/75/77/172547577.db2.gz HKEXNAYQFCJXFR-UHFFFAOYSA-N 0 2 242.278 2.513 20 0 BFADLN CN(CC1CCCCC1)c1ccc(C(=O)[O-])c[nH+]1 ZINC000042495531 172661795 /nfs/dbraw/zinc/66/17/95/172661795.db2.gz OAEOIAZENRZQBU-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN C[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037257030 176145192 /nfs/dbraw/zinc/14/51/92/176145192.db2.gz HLZJQEVFWLKMEA-KOLCDFICSA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667655671 487700678 /nfs/dbraw/zinc/70/06/78/487700678.db2.gz NACYMIBLJWGMPF-CYBMUJFWSA-N 0 2 247.386 2.841 20 0 BFADLN CC[C@@H]1CC[C@H](C)N1c1cc[nH+]c(C(=O)[O-])c1 ZINC000136210897 487716930 /nfs/dbraw/zinc/71/69/30/487716930.db2.gz AJZJDFHMTAGSQO-VHSXEESVSA-N 0 2 234.299 2.547 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N1c1cc[nH+]c(C(=O)[O-])c1 ZINC000136210971 487716984 /nfs/dbraw/zinc/71/69/84/487716984.db2.gz AJZJDFHMTAGSQO-NXEZZACHSA-N 0 2 234.299 2.547 20 0 BFADLN Cc1nc(O[C@H]2CCC[C@@H](C)C2)c(F)c(=O)[nH]1 ZINC001226424874 974893675 /nfs/dbraw/zinc/89/36/75/974893675.db2.gz SOAIOSMWMAPEPB-APPZFPTMSA-N 0 2 240.278 2.587 20 0 BFADLN C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1CCCC1 ZINC000810402915 586538902 /nfs/dbraw/zinc/53/89/02/586538902.db2.gz JJAWWQSXNMIQDU-XPUUQOCRSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](NC(=O)C(F)C(F)(F)F)C1CCCC1 ZINC000810402915 586538903 /nfs/dbraw/zinc/53/89/03/586538903.db2.gz JJAWWQSXNMIQDU-XPUUQOCRSA-N 0 2 241.228 2.582 20 0 BFADLN O=C([O-])c1ccc(NC[C@H]2CC=CCC2)[nH+]c1 ZINC000045647741 487848164 /nfs/dbraw/zinc/84/81/64/487848164.db2.gz GLMOCRYQEFDABG-JTQLQIEISA-N 0 2 232.283 2.548 20 0 BFADLN C[C@@H](CC(F)(F)F)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000235112097 487922324 /nfs/dbraw/zinc/92/23/24/487922324.db2.gz FRMQWUSAFNIZKR-LURJTMIESA-N 0 2 248.204 2.533 20 0 BFADLN C[C@@H]1CC[N@H+](Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@@H]12 ZINC000684617727 487946530 /nfs/dbraw/zinc/94/65/30/487946530.db2.gz WBMPXOWRTTWLIB-XBFCOCLRSA-N 0 2 233.359 2.810 20 0 BFADLN C[C@@H]1CC[N@@H+](Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@@H]12 ZINC000684617727 487946532 /nfs/dbraw/zinc/94/65/32/487946532.db2.gz WBMPXOWRTTWLIB-XBFCOCLRSA-N 0 2 233.359 2.810 20 0 BFADLN CCCc1nsc(N[C@@H]2CCC[C@H]2CC)n1 ZINC000390643607 323188256 /nfs/dbraw/zinc/18/82/56/323188256.db2.gz NIMNEZOQSVYWHS-NXEZZACHSA-N 0 2 239.388 2.903 20 0 BFADLN CC[C@@H]1CCC[C@@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000544700752 325155747 /nfs/dbraw/zinc/15/57/47/325155747.db2.gz FIDUYLLVJCLXAI-ZJUUUORDSA-N 0 2 237.347 2.780 20 0 BFADLN CC[C@H]1CCCCN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000037083670 488021984 /nfs/dbraw/zinc/02/19/84/488021984.db2.gz WDJOHYDTWWJDTG-JTQLQIEISA-N 0 2 234.299 2.549 20 0 BFADLN C[C@H](CNc1ccc2ccccc2[nH+]1)CC(=O)[O-] ZINC000147460398 488025374 /nfs/dbraw/zinc/02/53/74/488025374.db2.gz QKWGEUZMDZXQSI-JTQLQIEISA-N 0 2 244.294 2.758 20 0 BFADLN Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CC(C)C)C2)n1C ZINC000667675064 488083393 /nfs/dbraw/zinc/08/33/93/488083393.db2.gz YULDMKQVKKAQOT-AWEZNQCLSA-N 0 2 249.402 2.987 20 0 BFADLN CCC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667673945 488083323 /nfs/dbraw/zinc/08/33/23/488083323.db2.gz SPTBAJYMZMOGTD-ZDUSSCGKSA-N 0 2 247.386 2.841 20 0 BFADLN C[C@H]1CC[C@@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000230429302 488104982 /nfs/dbraw/zinc/10/49/82/488104982.db2.gz VDADRJDOIDBTLD-VHSXEESVSA-N 0 2 234.299 2.628 20 0 BFADLN C[C@@H]1CC[C@@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000230429299 488105293 /nfs/dbraw/zinc/10/52/93/488105293.db2.gz VDADRJDOIDBTLD-NXEZZACHSA-N 0 2 234.299 2.628 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000310761720 487487186 /nfs/dbraw/zinc/48/71/86/487487186.db2.gz PNOQPSOQTYLDGC-GHMZBOCLSA-N 0 2 248.326 2.795 20 0 BFADLN CCc1ccc[nH+]c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679151985 488313916 /nfs/dbraw/zinc/31/39/16/488313916.db2.gz WYRVVUPLQTXSED-AAEUAGOBSA-N 0 2 233.359 2.539 20 0 BFADLN CCCC(CCC)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000510516149 527994858 /nfs/dbraw/zinc/99/48/58/527994858.db2.gz UCAGZWRIIRKCSU-UHFFFAOYSA-N 0 2 249.358 2.670 20 0 BFADLN CC1CC(Nc2nc(-c3ccccc3)ns2)C1 ZINC000499832422 528156846 /nfs/dbraw/zinc/15/68/46/528156846.db2.gz VEFOOPGIHLZHHK-UHFFFAOYSA-N 0 2 245.351 2.837 20 0 BFADLN CCC[C@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263383877 535728650 /nfs/dbraw/zinc/72/86/50/535728650.db2.gz DIXOBJYMALDQPR-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN CC[C@H](C)N(CC)C(=O)[C@@H](F)C(F)(F)F ZINC000855146558 588824256 /nfs/dbraw/zinc/82/42/56/588824256.db2.gz XZWIPLXSPIHUNI-NKWVEPMBSA-N 0 2 229.217 2.534 20 0 BFADLN CC[C@H](C)N(CC)C(=O)C(F)C(F)(F)F ZINC000855146558 588824257 /nfs/dbraw/zinc/82/42/57/588824257.db2.gz XZWIPLXSPIHUNI-NKWVEPMBSA-N 0 2 229.217 2.534 20 0 BFADLN CC(C)CC1(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000856190678 588863920 /nfs/dbraw/zinc/86/39/20/588863920.db2.gz BMSJXFCPVDBFGL-SSDOTTSWSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)CC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC000856190678 588863921 /nfs/dbraw/zinc/86/39/21/588863921.db2.gz BMSJXFCPVDBFGL-SSDOTTSWSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)CC1(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000856190679 588863939 /nfs/dbraw/zinc/86/39/39/588863939.db2.gz BMSJXFCPVDBFGL-ZETCQYMHSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)CC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC000856190679 588863940 /nfs/dbraw/zinc/86/39/40/588863940.db2.gz BMSJXFCPVDBFGL-ZETCQYMHSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)c1ccc(CC[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894150365 583319125 /nfs/dbraw/zinc/31/91/25/583319125.db2.gz IPFPRCMHQRAJIM-UHFFFAOYSA-N 0 2 243.354 2.865 20 0 BFADLN Fc1ccc([C@H]2C[C@H]([NH2+]Cc3c[nH+]c[nH]3)C2)cc1 ZINC000894855829 583532557 /nfs/dbraw/zinc/53/25/57/583532557.db2.gz SUNKRVLGKOEKJI-AULYBMBSSA-N 0 2 245.301 2.585 20 0 BFADLN Cc1[nH]nc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1C ZINC000894904929 583553441 /nfs/dbraw/zinc/55/34/41/583553441.db2.gz BKAUMSRUKZMMTH-UKRRQHHQSA-N 0 2 245.370 2.647 20 0 BFADLN CN(C)c1cc[nH+]c(C[NH2+]CCC(C)(C)C)c1 ZINC000896299069 583789802 /nfs/dbraw/zinc/78/98/02/583789802.db2.gz QDLDARCZHPHXQD-UHFFFAOYSA-N 0 2 235.375 2.673 20 0 BFADLN CC[C@H](C)Oc1ccc([NH2+][C@H](C)C(=O)[O-])cc1 ZINC000737783610 583879654 /nfs/dbraw/zinc/87/96/54/583879654.db2.gz YDQUQPYTAPAPGY-VHSXEESVSA-N 0 2 237.299 2.749 20 0 BFADLN O=C1CC(CC2CC2)=NN1c1cccc(Cl)n1 ZINC000899350652 584203771 /nfs/dbraw/zinc/20/37/71/584203771.db2.gz KWXXWDCQGAGJQF-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=c1cc(CC2CC2)[nH]n1-c1cccc(Cl)n1 ZINC000899350652 584203772 /nfs/dbraw/zinc/20/37/72/584203772.db2.gz KWXXWDCQGAGJQF-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN C[C@H]1C[C@H](Nc2cccc(C3CC3)[nH+]2)CC[N@H+]1C ZINC000903267535 584741531 /nfs/dbraw/zinc/74/15/31/584741531.db2.gz CPQHOQFVFFHNAF-WCQYABFASA-N 0 2 245.370 2.854 20 0 BFADLN CN(C(=O)[C@H](F)C(F)(F)F)C1CC(C)(C)C1 ZINC000838145376 585047101 /nfs/dbraw/zinc/04/71/01/585047101.db2.gz AOWMHJIGMPELHL-ZETCQYMHSA-N 0 2 241.228 2.534 20 0 BFADLN CN(C(=O)C(F)C(F)(F)F)C1CC(C)(C)C1 ZINC000838145376 585047102 /nfs/dbraw/zinc/04/71/02/585047102.db2.gz AOWMHJIGMPELHL-ZETCQYMHSA-N 0 2 241.228 2.534 20 0 BFADLN O=C(OCC1CCC1)c1cc(F)c(O)c(F)c1 ZINC000759536128 585374864 /nfs/dbraw/zinc/37/48/64/585374864.db2.gz BJDSSNJJUVSHOB-UHFFFAOYSA-N 0 2 242.221 2.627 20 0 BFADLN CC(C)CC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000764075657 585459318 /nfs/dbraw/zinc/45/93/18/585459318.db2.gz NGBZAJCSXDEVGM-JGVFFNPUSA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)CC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000764075657 585459319 /nfs/dbraw/zinc/45/93/19/585459319.db2.gz NGBZAJCSXDEVGM-JGVFFNPUSA-N 0 2 243.244 2.828 20 0 BFADLN CCCCCCNC(=O)[C@H](F)C(F)(F)F ZINC000764078700 585459459 /nfs/dbraw/zinc/45/94/59/585459459.db2.gz YEQPFWVFSBKSIT-ZETCQYMHSA-N 0 2 229.217 2.583 20 0 BFADLN CCCCCCNC(=O)C(F)C(F)(F)F ZINC000764078700 585459460 /nfs/dbraw/zinc/45/94/60/585459460.db2.gz YEQPFWVFSBKSIT-ZETCQYMHSA-N 0 2 229.217 2.583 20 0 BFADLN CCCCC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000764148932 585460926 /nfs/dbraw/zinc/46/09/26/585460926.db2.gz GRABUAZDVQXIAV-HTQZYQBOSA-N 0 2 243.244 2.972 20 0 BFADLN CCCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000764148932 585460927 /nfs/dbraw/zinc/46/09/27/585460927.db2.gz GRABUAZDVQXIAV-HTQZYQBOSA-N 0 2 243.244 2.972 20 0 BFADLN CC[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000764250623 585462786 /nfs/dbraw/zinc/46/27/86/585462786.db2.gz CGRLJMFJDVINDM-JGVFFNPUSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000764250623 585462787 /nfs/dbraw/zinc/46/27/87/585462787.db2.gz CGRLJMFJDVINDM-JGVFFNPUSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H](N(C)C(=O)[C@@H](F)C(F)(F)F)C1(C)CC1 ZINC000764611996 585468890 /nfs/dbraw/zinc/46/88/90/585468890.db2.gz YZCBRICOEDJZDO-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1(C)CC1 ZINC000764611996 585468891 /nfs/dbraw/zinc/46/88/91/585468891.db2.gz YZCBRICOEDJZDO-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN CCC[C@@H](C)NC(=O)c1cccc(Cl)c1O ZINC000775650419 585682484 /nfs/dbraw/zinc/68/24/84/585682484.db2.gz CFQFGOXTRRSGDS-MRVPVSSYSA-N 0 2 241.718 2.964 20 0 BFADLN CC(C)(C)NC(=O)c1cccc(Cl)c1O ZINC000775650065 585682522 /nfs/dbraw/zinc/68/25/22/585682522.db2.gz OXUSDGVKSZYGEI-UHFFFAOYSA-N 0 2 227.691 2.574 20 0 BFADLN CC1(NC(=O)c2cccc(Cl)c2O)CCC1 ZINC000775785802 585684659 /nfs/dbraw/zinc/68/46/59/585684659.db2.gz QCISUXICZXYAMF-UHFFFAOYSA-N 0 2 239.702 2.718 20 0 BFADLN CCC[C@@H](CC)NC(=O)[C@@H](F)C(F)(F)F ZINC000810251670 586537724 /nfs/dbraw/zinc/53/77/24/586537724.db2.gz UVUHMIJNUCKNJN-RNFRBKRXSA-N 0 2 229.217 2.582 20 0 BFADLN CCC[C@@H](CC)NC(=O)C(F)C(F)(F)F ZINC000810251670 586537725 /nfs/dbraw/zinc/53/77/25/586537725.db2.gz UVUHMIJNUCKNJN-RNFRBKRXSA-N 0 2 229.217 2.582 20 0 BFADLN C[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1C ZINC000810436853 586539142 /nfs/dbraw/zinc/53/91/42/586539142.db2.gz NJAGTQPEXSMFEK-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)[C@@H]1C ZINC000810436853 586539143 /nfs/dbraw/zinc/53/91/43/586539143.db2.gz NJAGTQPEXSMFEK-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@H](C)CN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC000810475317 586539586 /nfs/dbraw/zinc/53/95/86/586539586.db2.gz JIPRCBKDSLTUKH-JGVFFNPUSA-N 0 2 243.244 2.781 20 0 BFADLN CC[C@H](C)CN(CC)C(=O)C(F)C(F)(F)F ZINC000810475317 586539587 /nfs/dbraw/zinc/53/95/87/586539587.db2.gz JIPRCBKDSLTUKH-JGVFFNPUSA-N 0 2 243.244 2.781 20 0 BFADLN CC[C@@H]1CCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC000810514395 586539864 /nfs/dbraw/zinc/53/98/64/586539864.db2.gz BBOTYXIDADAJKH-PRJMDXOYSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@H]1CCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC000810514395 586539865 /nfs/dbraw/zinc/53/98/65/586539865.db2.gz BBOTYXIDADAJKH-PRJMDXOYSA-N 0 2 241.228 2.582 20 0 BFADLN CCCC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000810534322 586540141 /nfs/dbraw/zinc/54/01/41/586540141.db2.gz NKFMQGUFXWHUNA-ZETCQYMHSA-N 0 2 241.228 2.583 20 0 BFADLN CCCC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC000810534322 586540142 /nfs/dbraw/zinc/54/01/42/586540142.db2.gz NKFMQGUFXWHUNA-ZETCQYMHSA-N 0 2 241.228 2.583 20 0 BFADLN CCN(CC1CCC1)C(=O)[C@@H](F)C(F)(F)F ZINC000811483119 586559605 /nfs/dbraw/zinc/55/96/05/586559605.db2.gz CGPMAFVFQOTLIL-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CCN(CC1CCC1)C(=O)C(F)C(F)(F)F ZINC000811483119 586559606 /nfs/dbraw/zinc/55/96/06/586559606.db2.gz CGPMAFVFQOTLIL-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CCCCS[C@@H](C)C(=O)NOC1CCC1 ZINC000812796278 586586089 /nfs/dbraw/zinc/58/60/89/586586089.db2.gz VZKFDSLUWMOZNR-VIFPVBQESA-N 0 2 231.361 2.509 20 0 BFADLN CCCCSCC(=O)NOC[C@H](C)CC ZINC000816977051 586777073 /nfs/dbraw/zinc/77/70/73/586777073.db2.gz PLDRIYLSLSCWGQ-SNVBAGLBSA-N 0 2 233.377 2.614 20 0 BFADLN CCC1(NC(=O)c2cccc(Cl)c2O)CC1 ZINC000833953026 587739580 /nfs/dbraw/zinc/73/95/80/587739580.db2.gz JBKKTIFGNKQDHI-UHFFFAOYSA-N 0 2 239.702 2.718 20 0 BFADLN CN(CCC(C)(C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000843683982 588132599 /nfs/dbraw/zinc/13/25/99/588132599.db2.gz PWBPLPFZPAKILJ-SSDOTTSWSA-N 0 2 243.244 2.781 20 0 BFADLN CN(CCC(C)(C)C)C(=O)C(F)C(F)(F)F ZINC000843683982 588132600 /nfs/dbraw/zinc/13/26/00/588132600.db2.gz PWBPLPFZPAKILJ-SSDOTTSWSA-N 0 2 243.244 2.781 20 0 BFADLN Cc1cc(F)ccc1N1N=C2[C@@H](C)CC[C@@H]2C1=O ZINC000871948712 589839483 /nfs/dbraw/zinc/83/94/83/589839483.db2.gz ZNKGRYLHYKUAGO-KWQFWETISA-N 0 2 246.285 2.883 20 0 BFADLN CC[C@H](C)N1N=C(CCC(C)C)CC1=O ZINC000871958824 589844746 /nfs/dbraw/zinc/84/47/46/589844746.db2.gz HBBFQIOZUYKTBQ-JTQLQIEISA-N 0 2 210.321 2.809 20 0 BFADLN CCCC1=NN(C[C@H]2CCCC2(F)F)C(=O)C1 ZINC000871962445 589847482 /nfs/dbraw/zinc/84/74/82/589847482.db2.gz BZPJFRBAZIVMJA-SECBINFHSA-N 0 2 244.285 2.810 20 0 BFADLN C[C@]1(C(=O)NOc2ccccc2F)CC=CCC1 ZINC000874911173 590154819 /nfs/dbraw/zinc/15/48/19/590154819.db2.gz OBVDDNLVZKSGRQ-AWEZNQCLSA-N 0 2 249.285 2.982 20 0 BFADLN C[C@@H]1CCC[C@@H](COc2ccc[nH+]c2C(=O)[O-])C1 ZINC000302428999 592547816 /nfs/dbraw/zinc/54/78/16/592547816.db2.gz VBFQTWRDGOUWOC-GHMZBOCLSA-N 0 2 249.310 2.985 20 0 BFADLN O=C([O-])c1ccc(N2CCC[C@@H]3CCC[C@H]32)[nH+]c1 ZINC000228024090 640855110 /nfs/dbraw/zinc/85/51/10/640855110.db2.gz PUNSKNIJBHPFIX-CMPLNLGQSA-N 0 2 246.310 2.549 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1CCCC(C)(C)C ZINC001600685365 978718684 /nfs/dbraw/zinc/71/86/84/978718684.db2.gz INRZNDUDAQSWKW-UHFFFAOYSA-N 0 2 224.304 2.716 20 0 BFADLN CC[C@H](C)[C@H](C)Nc1cc(CC(=O)[O-])cc[nH+]1 ZINC001604932057 979771412 /nfs/dbraw/zinc/77/14/12/979771412.db2.gz UPWPHWPUZMXTTD-UWVGGRQHSA-N 0 2 236.315 2.555 20 0 BFADLN Cc1ccc(-c2cccc(Cl)c2O)nn1 ZINC001250519179 981348139 /nfs/dbraw/zinc/34/81/39/981348139.db2.gz HKMQFVWOWNVDQW-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN CC[C@H](COc1cccc(S)c1)OC ZINC001226013994 974762657 /nfs/dbraw/zinc/76/26/57/974762657.db2.gz NVAIRGHHMPUFKU-SECBINFHSA-N 0 2 212.314 2.779 20 0 BFADLN CCOc1ccc(Cl)cc1Nc1nnco1 ZINC001216446934 971089511 /nfs/dbraw/zinc/08/95/11/971089511.db2.gz IIVZBLRBUYKYEE-UHFFFAOYSA-N 0 2 239.662 2.865 20 0 BFADLN Cc1n[nH]c(S[C@H]2CCCC[C@H]2C)n1 ZINC001330148804 974133126 /nfs/dbraw/zinc/13/31/26/974133126.db2.gz BQMJBWDBAYQSTB-APPZFPTMSA-N 0 2 211.334 2.784 20 0 BFADLN C[C@@H]1CCC[C@@H](Oc2nc(Cl)cc(=O)[nH]2)C1 ZINC001225563142 974558198 /nfs/dbraw/zinc/55/81/98/974558198.db2.gz RFHCNHFJAMADAJ-HTQZYQBOSA-N 0 2 242.706 2.793 20 0 BFADLN Cc1cc(NC2CCC(C(=O)[O-])CC2)c[nH+]c1C ZINC000883518610 956245094 /nfs/dbraw/zinc/24/50/94/956245094.db2.gz VUIYVFHNVSMCIR-UHFFFAOYSA-N 0 2 248.326 2.754 20 0 BFADLN CC(C)c1nsc(N[C@@H]2C[C@]2(C)C(C)C)n1 ZINC000397305536 957590028 /nfs/dbraw/zinc/59/00/28/957590028.db2.gz PWZYNSODWIDGGJ-BXKDBHETSA-N 0 2 239.388 2.930 20 0 BFADLN Cc1ccc([N@H+](C)CC2(CC(=O)[O-])CC2)c(C)c1 ZINC000088256057 958047971 /nfs/dbraw/zinc/04/79/71/958047971.db2.gz BIJONQNEWMNCCN-UHFFFAOYSA-N 0 2 247.338 2.995 20 0 BFADLN Cc1ccc([N@@H+](C)CC2(CC(=O)[O-])CC2)c(C)c1 ZINC000088256057 958047987 /nfs/dbraw/zinc/04/79/87/958047987.db2.gz BIJONQNEWMNCCN-UHFFFAOYSA-N 0 2 247.338 2.995 20 0 BFADLN CCCCNC(=O)Nc1ccccc1S ZINC000196438778 972348566 /nfs/dbraw/zinc/34/85/66/972348566.db2.gz UAOIZZHCZOZALK-UHFFFAOYSA-N 0 2 224.329 2.897 20 0 BFADLN CC1(C)CC[C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000129665192 958716009 /nfs/dbraw/zinc/71/60/09/958716009.db2.gz XMIVOTLKJLLZKT-SNVBAGLBSA-N 0 2 234.299 2.770 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(F)c(C(=O)[O-])c1F ZINC001205095187 967336872 /nfs/dbraw/zinc/33/68/72/967336872.db2.gz CWNYJALUWOHWIO-YPCIICBESA-N 0 2 239.221 2.539 20 0 BFADLN CCn1nccc1Nc1ccc(S)cc1 ZINC001205310614 967510363 /nfs/dbraw/zinc/51/03/63/967510363.db2.gz HVMOOFUUUWQIFD-UHFFFAOYSA-N 0 2 219.313 2.935 20 0 BFADLN Cc1cc(Cc2cccc(S)c2)n(C)n1 ZINC001250419510 967826958 /nfs/dbraw/zinc/82/69/58/967826958.db2.gz KOIZIOVWWOLVEH-UHFFFAOYSA-N 0 2 218.325 2.608 20 0 BFADLN CC(C)c1nnc(Nc2cccc(O)c2F)o1 ZINC001212545535 967860449 /nfs/dbraw/zinc/86/04/49/967860449.db2.gz HDDVPTCAVQOUPK-UHFFFAOYSA-N 0 2 237.234 2.781 20 0 BFADLN Oc1cc(F)c(-c2ccncn2)cc1Cl ZINC001250492668 967963545 /nfs/dbraw/zinc/96/35/45/967963545.db2.gz SJYUIRZZIROGFP-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Oc1c(F)cc(-c2cncnc2)cc1Cl ZINC001250599976 968138687 /nfs/dbraw/zinc/13/86/87/968138687.db2.gz RAXAVYVLPXKBLW-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Cc1cc(-c2ccc(S)cc2)n(C)n1 ZINC001240858463 968774492 /nfs/dbraw/zinc/77/44/92/968774492.db2.gz NTKMIFPGICMOOP-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN CCCn1nc(C)cc1-c1ccc2nn[nH]c2c1 ZINC001241764117 969112477 /nfs/dbraw/zinc/11/24/77/969112477.db2.gz UFMCWSOJKQXHHH-UHFFFAOYSA-N 0 2 241.298 2.540 20 0 BFADLN CCc1nnc(-c2cc(Cl)c(F)cc2O)o1 ZINC001255144815 969950344 /nfs/dbraw/zinc/95/03/44/969950344.db2.gz MDJMMYCGUKKADH-UHFFFAOYSA-N 0 2 242.637 2.797 20 0 BFADLN Nc1ccc2c(cnn2-c2cccc(S)c2)c1 ZINC001210947801 970084762 /nfs/dbraw/zinc/08/47/62/970084762.db2.gz ZEZFYIABSPULAO-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN Clc1cnc(Cl)c(Nc2nccs2)n1 ZINC001210990647 970101760 /nfs/dbraw/zinc/10/17/60/970101760.db2.gz GRMSDAUFLTXJPU-UHFFFAOYSA-N 0 2 247.110 2.984 20 0 BFADLN COc1cc(F)c(Nc2nnco2)cc1Cl ZINC001214058234 970424097 /nfs/dbraw/zinc/42/40/97/970424097.db2.gz LLRQOGNIZGJBRA-UHFFFAOYSA-N 0 2 243.625 2.614 20 0 BFADLN CC(C)[C@@H](C)OC(=O)c1cc(F)c(O)c(F)c1 ZINC001327453504 972580228 /nfs/dbraw/zinc/58/02/28/972580228.db2.gz QAUVKCCPCHAGFZ-SSDOTTSWSA-N 0 2 244.237 2.872 20 0 BFADLN CC(C)[C@H](C)NC(=O)c1cccc(S)c1 ZINC000300226470 974111893 /nfs/dbraw/zinc/11/18/93/974111893.db2.gz WREGRTBQWPMYED-VIFPVBQESA-N 0 2 223.341 2.750 20 0 BFADLN CCC[C@@H](Oc1nc(=O)[nH]cc1F)[C@H](C)CC ZINC001225881207 974712758 /nfs/dbraw/zinc/71/27/58/974712758.db2.gz GADXLCXQXFRCNL-PSASIEDQSA-N 0 2 242.294 2.915 20 0 BFADLN C[C@@H]1CC[C@@H](Oc2nc(=O)[nH]cc2F)C[C@@H]1C ZINC001225882892 974714091 /nfs/dbraw/zinc/71/40/91/974714091.db2.gz XHJZDPHOPIKYSB-HRDYMLBCSA-N 0 2 240.278 2.525 20 0 BFADLN CCCCC[C@H](C)Oc1nc(=O)[nH]cc1F ZINC001225882442 974714236 /nfs/dbraw/zinc/71/42/36/974714236.db2.gz SZWRTFNDRMREAP-QMMMGPOBSA-N 0 2 228.267 2.669 20 0 BFADLN CCC(CC)[C@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225881843 974714292 /nfs/dbraw/zinc/71/42/92/974714292.db2.gz NVOSWAQXAIEEPX-JTQLQIEISA-N 0 2 242.294 2.915 20 0 BFADLN C[C@@H]1CCC[C@@H](Oc2nc(=O)[nH]cc2F)[C@@H]1C ZINC001225885970 974717286 /nfs/dbraw/zinc/71/72/86/974717286.db2.gz RLYFNKZLKMFUKS-NQMVMOMDSA-N 0 2 240.278 2.525 20 0 BFADLN O=c1nc(OC2CCCCCCC2)c(F)c[nH]1 ZINC001225886096 974718305 /nfs/dbraw/zinc/71/83/05/974718305.db2.gz STDXSRQBGMMKOV-UHFFFAOYSA-N 0 2 240.278 2.813 20 0 BFADLN CCOC[C@H](C)Oc1cccc(S)c1 ZINC001226016950 974764372 /nfs/dbraw/zinc/76/43/72/974764372.db2.gz WQZFLSPTOMFUAK-VIFPVBQESA-N 0 2 212.314 2.779 20 0 BFADLN CCCC[C@H](C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228003731 975842607 /nfs/dbraw/zinc/84/26/07/975842607.db2.gz FIMSRVCXSBXBQZ-VIFPVBQESA-N 0 2 247.298 2.688 20 0 BFADLN CC[C@@H](Oc1[nH]c(=O)nc2cccnc21)C(C)C ZINC001228004864 975848205 /nfs/dbraw/zinc/84/82/05/975848205.db2.gz NHXXPBLGQAOSRZ-SNVBAGLBSA-N 0 2 247.298 2.544 20 0 BFADLN Cc1cc(S)ccc1O[C@@H]1CCCOC1 ZINC001229634772 976922172 /nfs/dbraw/zinc/92/21/72/976922172.db2.gz MYULZNHHFCOATO-SNVBAGLBSA-N 0 2 224.325 2.842 20 0 BFADLN Cc1nnc(Nc2cc(F)c(F)cc2F)o1 ZINC001175086020 977263289 /nfs/dbraw/zinc/26/32/89/977263289.db2.gz OEQVZXINWIEFDS-UHFFFAOYSA-N 0 2 229.161 2.539 20 0 BFADLN Cc1cc[nH+]c(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175215875 977332677 /nfs/dbraw/zinc/33/26/77/977332677.db2.gz UDFRNEUWDCJMLG-UHFFFAOYSA-N 0 2 246.241 2.971 20 0 BFADLN CCCOC1C[NH+](Cc2ccc([S-])cc2)C1 ZINC001233261521 978520786 /nfs/dbraw/zinc/52/07/86/978520786.db2.gz RVDOMCUAUIBHDK-UHFFFAOYSA-N 0 2 237.368 2.586 20 0 BFADLN Cc1ccc(N2CC(C)(C)C2(C)C)[nH+]c1C(=O)[O-] ZINC001600435892 978693196 /nfs/dbraw/zinc/69/31/96/978693196.db2.gz DRCJERFYGZRICZ-UHFFFAOYSA-N 0 2 248.326 2.713 20 0 BFADLN Cc1ccc(N[C@@H]2CCCC23CC3)[nH+]c1C(=O)[O-] ZINC001600459157 978696378 /nfs/dbraw/zinc/69/63/78/978696378.db2.gz FQYMGGXRAHBPFR-SNVBAGLBSA-N 0 2 246.310 2.833 20 0 BFADLN Cc1ccc(F)c(-c2ncc3[nH]ccc3n2)c1O ZINC001236394641 979578874 /nfs/dbraw/zinc/57/88/74/979578874.db2.gz ZAAYUAWBVQVHKQ-UHFFFAOYSA-N 0 2 243.241 2.778 20 0 BFADLN C[C@H]1CC[C@H](CNc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604700405 979708203 /nfs/dbraw/zinc/70/82/03/979708203.db2.gz QBUZGRSIBPGTGJ-JQWIXIFHSA-N 0 2 248.326 2.557 20 0 BFADLN C[C@@H]1CCC[C@H](Nc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604717214 979711398 /nfs/dbraw/zinc/71/13/98/979711398.db2.gz QYSWHIKCRWAZQM-PWSUYJOCSA-N 0 2 248.326 2.699 20 0 BFADLN CC[C@H]1CCCCN1c1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001605166069 979826228 /nfs/dbraw/zinc/82/62/28/979826228.db2.gz GQEZDFFJNXGHAN-NSHDSACASA-N 0 2 248.326 2.857 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@H](C)CC(C)(C)C ZINC001607946434 980143091 /nfs/dbraw/zinc/14/30/91/980143091.db2.gz MMLLAFQXFOLECH-SECBINFHSA-N 0 2 238.331 2.962 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@H](C)CC(C)C ZINC001607946593 980143994 /nfs/dbraw/zinc/14/39/94/980143994.db2.gz VWXSBYZPLSTGGZ-SECBINFHSA-N 0 2 224.304 2.572 20 0 BFADLN NC(=O)c1ccccc1-c1ccc(S)cc1 ZINC001239761457 980901114 /nfs/dbraw/zinc/90/11/14/980901114.db2.gz XTDYCTUZJWDUFW-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN Sc1cccc(CC2CCOCC2)c1 ZINC001250395682 980937740 /nfs/dbraw/zinc/93/77/40/980937740.db2.gz OLXZSDJVEUFKLA-UHFFFAOYSA-N 0 2 208.326 2.944 20 0 BFADLN Oc1c(Cl)ccc(-c2cnccn2)c1F ZINC001250442975 981112062 /nfs/dbraw/zinc/11/20/62/981112062.db2.gz PLDKISKATRJRGD-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN C=Cc1cnc(-c2cc(F)ccc2O)nc1 ZINC001240693735 981598947 /nfs/dbraw/zinc/59/89/47/981598947.db2.gz HIMVOQCWDFOSMD-UHFFFAOYSA-N 0 2 216.215 2.631 20 0 BFADLN CC(C)Nc1ccnc(-c2cc(F)ccc2O)n1 ZINC001240694472 981602860 /nfs/dbraw/zinc/60/28/60/981602860.db2.gz UDPDSVSUDZOYAL-UHFFFAOYSA-N 0 2 247.273 2.809 20 0 BFADLN Oc1ccc(F)cc1-c1ncc2ncsc2n1 ZINC001240694563 981604657 /nfs/dbraw/zinc/60/46/57/981604657.db2.gz YEVCEYGKIRPSJH-UHFFFAOYSA-N 0 2 247.254 2.598 20 0 BFADLN CCc1nc(-c2cc(F)ccc2O)ncc1F ZINC001240694583 981605316 /nfs/dbraw/zinc/60/53/16/981605316.db2.gz ZPZQSBLUNZIMFQ-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN Cc1cc[nH+]c(C)c1-c1ccc(CC(=O)[O-])cc1 ZINC001240975653 982053613 /nfs/dbraw/zinc/05/36/13/982053613.db2.gz VTNIXIOVRFPTHE-UHFFFAOYSA-N 0 2 241.290 2.993 20 0 BFADLN Oc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1F ZINC001241292882 982435791 /nfs/dbraw/zinc/43/57/91/982435791.db2.gz LLYROUGTRGFMPE-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN O=C(Nc1ccccc1)c1cc(Cl)ncc1O ZINC001196387585 982446293 /nfs/dbraw/zinc/44/62/93/982446293.db2.gz QOSVZUJSUFISGY-UHFFFAOYSA-N 0 2 248.669 2.693 20 0 BFADLN CC(C)c1cc(-c2ccc3[nH]nnc3c2)ncn1 ZINC001241938030 983149546 /nfs/dbraw/zinc/14/95/46/983149546.db2.gz JBOJXNJTPSOGKN-UHFFFAOYSA-N 0 2 239.282 2.538 20 0 BFADLN S=c1[n-]c2cc(-c3[nH]cc[nH+]3)ccc2o1 ZINC001242018826 983222543 /nfs/dbraw/zinc/22/25/43/983222543.db2.gz YBGGBPNBCVAFRO-UHFFFAOYSA-N 0 2 217.253 2.507 20 0 BFADLN CCc1ncnc(-c2cccc(F)c2O)c1F ZINC001242347853 983609123 /nfs/dbraw/zinc/60/91/23/983609123.db2.gz DEIOCUFQRFXWKR-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN COc1nccc(-c2cccc(Cl)c2O)n1 ZINC001242363185 983651996 /nfs/dbraw/zinc/65/19/96/983651996.db2.gz WLOBWSKPRSMODS-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN Oc1c(Cl)cccc1-c1ccnc(F)n1 ZINC001242365804 983655998 /nfs/dbraw/zinc/65/59/98/983655998.db2.gz ZQLCMBAMOJRGPC-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Oc1c(Cl)cccc1-c1ccc2nccn2n1 ZINC001242366542 983659311 /nfs/dbraw/zinc/65/93/11/983659311.db2.gz OHDMWZZQFXTIJT-UHFFFAOYSA-N 0 2 245.669 2.755 20 0 BFADLN Nc1cncc(-c2cccc(S)c2)c1 ZINC001242498962 983820607 /nfs/dbraw/zinc/82/06/07/983820607.db2.gz KLZHLQSHLXPJKD-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN CNc1cc(-c2ccc(C)c(C(=O)[O-])c2)cc[nH+]1 ZINC001243197300 984679952 /nfs/dbraw/zinc/67/99/52/984679952.db2.gz RMNZQEIBFUMXNL-UHFFFAOYSA-N 0 2 242.278 2.797 20 0 BFADLN Nc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)c[nH+]1 ZINC001243324702 984828123 /nfs/dbraw/zinc/82/81/23/984828123.db2.gz IGYGGCRNASOLRZ-UHFFFAOYSA-N 0 2 248.669 2.682 20 0 BFADLN Nc1[nH+]cccc1-c1ccc([S-])cc1F ZINC001243473477 985020847 /nfs/dbraw/zinc/02/08/47/985020847.db2.gz LRAPBHMTWCIANI-UHFFFAOYSA-N 0 2 220.272 2.759 20 0 BFADLN Cc1cnc(C)c(-c2cc(F)cc(F)c2O)n1 ZINC001243500558 985052698 /nfs/dbraw/zinc/05/26/98/985052698.db2.gz SPLOKVDYECXADN-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN COc1cccc(-c2cc(F)cc(F)c2O)n1 ZINC001243500584 985053046 /nfs/dbraw/zinc/05/30/46/985053046.db2.gz SZAULJAVUAVOGA-UHFFFAOYSA-N 0 2 237.205 2.741 20 0 BFADLN Oc1c(F)cc(F)cc1-c1nccc2nc[nH]c21 ZINC001243499378 985055439 /nfs/dbraw/zinc/05/54/39/985055439.db2.gz HGDDWHSHVHTSHR-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1cc(-c2cccc3[nH]nnc32)ccc1Cl ZINC001243581303 985139795 /nfs/dbraw/zinc/13/97/95/985139795.db2.gz OHMFYRUHBIFFQO-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN CCCONC(=O)CSc1ccc(C)cc1 ZINC000686762974 985210379 /nfs/dbraw/zinc/21/03/79/985210379.db2.gz XPNUCRWNCLHCOM-UHFFFAOYSA-N 0 2 239.340 2.545 20 0 BFADLN CC(C)(CO)n1cc(-c2ccc(S)cc2)cn1 ZINC001244102632 985813310 /nfs/dbraw/zinc/81/33/10/985813310.db2.gz GUFMRDPNJNZSPL-UHFFFAOYSA-N 0 2 248.351 2.566 20 0 BFADLN Nc1cccc(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001244499409 986203607 /nfs/dbraw/zinc/20/36/07/986203607.db2.gz CNSQYRSFYAIZPO-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN Nc1cccc(-c2cc(F)c([O-])c(Cl)c2)[nH+]1 ZINC001244499409 986203640 /nfs/dbraw/zinc/20/36/40/986203640.db2.gz CNSQYRSFYAIZPO-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cc(C)c(C(=O)[O-])c(C)c1 ZINC001244946420 986502801 /nfs/dbraw/zinc/50/28/01/986502801.db2.gz AUDHJHBPHMNSRR-REZHQCRGSA-N 0 2 231.295 2.877 20 0 BFADLN COc1cnc(-c2cc(Cl)ccc2O)nc1 ZINC001245051374 986610454 /nfs/dbraw/zinc/61/04/54/986610454.db2.gz FOOLMYDJIDMYBA-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN Oc1ccc(Cl)cc1-c1nccc2[nH]cnc21 ZINC001245051115 986614066 /nfs/dbraw/zinc/61/40/66/986614066.db2.gz BPRWVTRCIRDRDF-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN c1c2cccnc2[nH]c1-c1ccc2nn[nH]c2c1 ZINC001245403825 986843901 /nfs/dbraw/zinc/84/39/01/986843901.db2.gz IKWNPVTXIYAWBL-UHFFFAOYSA-N 0 2 235.250 2.501 20 0 BFADLN Oc1cccc(F)c1-c1nccc2c1CCN2 ZINC001245654807 987031595 /nfs/dbraw/zinc/03/15/95/987031595.db2.gz RPUJSPGWBKYWCO-UHFFFAOYSA-N 0 2 230.242 2.561 20 0 BFADLN Cc1cncnc1-c1cc(Cl)c(O)cc1F ZINC001245668718 987055312 /nfs/dbraw/zinc/05/53/12/987055312.db2.gz XJYHBNDROPUGAZ-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CC[C@H](C)N1N=C(c2ccncc2)CC1=O ZINC001245912478 987145927 /nfs/dbraw/zinc/14/59/27/987145927.db2.gz VNBBKGLUWJQZFV-VIFPVBQESA-N 0 2 217.272 2.622 20 0 BFADLN CC[C@H](C)n1[nH]c(-c2ccncc2)cc1=O ZINC001245912478 987145942 /nfs/dbraw/zinc/14/59/42/987145942.db2.gz VNBBKGLUWJQZFV-VIFPVBQESA-N 0 2 217.272 2.622 20 0 BFADLN Cc1cccc(-c2cc(=O)n(CC3CC3)[nH]2)c1 ZINC001245917104 987148714 /nfs/dbraw/zinc/14/87/14/987148714.db2.gz FGTOIRBTYBZTCJ-UHFFFAOYSA-N 0 2 228.295 2.974 20 0 BFADLN CCCN1N=C(c2cc(F)cc(F)c2)CC1=O ZINC001245921453 987157438 /nfs/dbraw/zinc/15/74/38/987157438.db2.gz QZOWAVGSHJIDNC-UHFFFAOYSA-N 0 2 238.237 2.944 20 0 BFADLN CCCn1[nH]c(-c2cc(F)cc(F)c2)cc1=O ZINC001245921453 987157442 /nfs/dbraw/zinc/15/74/42/987157442.db2.gz QZOWAVGSHJIDNC-UHFFFAOYSA-N 0 2 238.237 2.944 20 0 BFADLN COc1ccc([C@H](C)N2N=C(C)CC2=O)cc1 ZINC001245928508 987187087 /nfs/dbraw/zinc/18/70/87/987187087.db2.gz ZOTMTGZHKQAPEE-JTQLQIEISA-N 0 2 232.283 2.515 20 0 BFADLN CC[C@H](C)n1[nH]c(-c2ccc(O)cc2)cc1=O ZINC001245941139 987212698 /nfs/dbraw/zinc/21/26/98/987212698.db2.gz JTYZDKLZTWPJPW-VIFPVBQESA-N 0 2 232.283 2.932 20 0 BFADLN O=c1cc(-c2ccc(O)cc2)[nH]n1C1CCC1 ZINC001245941025 987213240 /nfs/dbraw/zinc/21/32/40/987213240.db2.gz FNWIYTHHNJINMT-UHFFFAOYSA-N 0 2 230.267 2.686 20 0 BFADLN CONC(=O)C1(c2ccc(C(C)C)cc2)CCC1 ZINC001115928500 987414890 /nfs/dbraw/zinc/41/48/90/987414890.db2.gz GFYUYOOODIDNMZ-UHFFFAOYSA-N 0 2 247.338 2.909 20 0 BFADLN CC(C)c1ccc(NS(=O)(=O)C(F)F)cc1 ZINC001259949403 992048351 /nfs/dbraw/zinc/04/83/51/992048351.db2.gz MZZOHYDRPBTFDS-UHFFFAOYSA-N 0 2 249.282 2.774 20 0 BFADLN C[C@]1(CN=c2[nH]nc(C3CC3)s2)C[C@H]2C[C@H]2C1 ZINC000624657764 342811190 /nfs/dbraw/zinc/81/11/90/342811190.db2.gz YWNXUOUXJNEXCE-IWIIMEHWSA-N 0 2 249.383 2.686 20 0 BFADLN CC(C)Cn1[nH]c2c(c1=O)CCCCCC2 ZINC000634583642 342814756 /nfs/dbraw/zinc/81/47/56/342814756.db2.gz CXKCFTFJXUFUOD-LLVKDONJSA-N 0 2 222.332 2.811 20 0 BFADLN CCC1=NN(c2nc3ccccc3o2)C(=O)[C@@H]1C ZINC000634586857 342930380 /nfs/dbraw/zinc/93/03/80/342930380.db2.gz YOFJQTCCQNATKX-MRVPVSSYSA-N 0 2 243.266 2.577 20 0 BFADLN CCc1[nH]n(-c2nc3ccccc3o2)c(=O)c1C ZINC000634586857 342930383 /nfs/dbraw/zinc/93/03/83/342930383.db2.gz YOFJQTCCQNATKX-MRVPVSSYSA-N 0 2 243.266 2.577 20 0 BFADLN CCC1=NN(c2ccccc2CC)C(=O)[C@@H]1C ZINC000634588871 342934719 /nfs/dbraw/zinc/93/47/19/342934719.db2.gz HWWSSPWUNNPYTF-SNVBAGLBSA-N 0 2 230.311 2.998 20 0 BFADLN CCc1ccc(N2N=C3[C@@H](CC[C@@H]3C)C2=O)cc1 ZINC000634594511 342952801 /nfs/dbraw/zinc/95/28/01/342952801.db2.gz YIARTVIUPFUYJC-GXFFZTMASA-N 0 2 242.322 2.998 20 0 BFADLN CC[C@H](C)C1=NN(c2ccc(C)cn2)C(=O)C1 ZINC000634597529 342974295 /nfs/dbraw/zinc/97/42/95/342974295.db2.gz MXUIMWZYAPETSE-JTQLQIEISA-N 0 2 231.299 2.529 20 0 BFADLN CC[C@H](C)c1cc(=O)n(-c2ccc(C)cn2)[nH]1 ZINC000634597529 342974298 /nfs/dbraw/zinc/97/42/98/342974298.db2.gz MXUIMWZYAPETSE-JTQLQIEISA-N 0 2 231.299 2.529 20 0 BFADLN C[C@@H]1CCC[C@H](N2N=C(c3ccoc3)CC2=O)C1 ZINC000634599965 342990499 /nfs/dbraw/zinc/99/04/99/342990499.db2.gz UAOQVROPECRFHX-PWSUYJOCSA-N 0 2 246.310 2.795 20 0 BFADLN C[C@@H]1CCC[C@H](n2[nH]c(-c3ccoc3)cc2=O)C1 ZINC000634599965 342990502 /nfs/dbraw/zinc/99/05/02/342990502.db2.gz UAOQVROPECRFHX-PWSUYJOCSA-N 0 2 246.310 2.795 20 0 BFADLN C[C@H]1CCC[C@H](N2N=C(c3ccoc3)CC2=O)C1 ZINC000634599964 342990772 /nfs/dbraw/zinc/99/07/72/342990772.db2.gz UAOQVROPECRFHX-JQWIXIFHSA-N 0 2 246.310 2.795 20 0 BFADLN C[C@H]1CCC[C@H](n2[nH]c(-c3ccoc3)cc2=O)C1 ZINC000634599964 342990774 /nfs/dbraw/zinc/99/07/74/342990774.db2.gz UAOQVROPECRFHX-JQWIXIFHSA-N 0 2 246.310 2.795 20 0 BFADLN CCCCC1=NN(c2ncccc2F)C(=O)C1 ZINC000634605756 343000231 /nfs/dbraw/zinc/00/02/31/343000231.db2.gz WCEVHLQECAPEAS-UHFFFAOYSA-N 0 2 235.262 2.504 20 0 BFADLN CCCCc1cc(=O)n(-c2ncccc2F)[nH]1 ZINC000634605756 343000234 /nfs/dbraw/zinc/00/02/34/343000234.db2.gz WCEVHLQECAPEAS-UHFFFAOYSA-N 0 2 235.262 2.504 20 0 BFADLN Cc1ccc(F)c(N2N=C3[C@@H](C)CC[C@@H]3C2=O)c1 ZINC000634611568 343008704 /nfs/dbraw/zinc/00/87/04/343008704.db2.gz YAYOFVLUDFQCCR-UWVGGRQHSA-N 0 2 246.285 2.883 20 0 BFADLN CC1(C)CCCC[C@@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625171 343028661 /nfs/dbraw/zinc/02/86/61/343028661.db2.gz ACSCKXGIPHWICP-PWSUYJOCSA-N 0 2 234.343 2.954 20 0 BFADLN Cc1ccc(N2N=C3[C@H](C)CC[C@@H]3C2=O)cc1F ZINC000634614596 343012251 /nfs/dbraw/zinc/01/22/51/343012251.db2.gz HDIFEXJSRPMBDS-KOLCDFICSA-N 0 2 246.285 2.883 20 0 BFADLN CC1(C)CCC[C@H]1N1N=C(c2ccoc2)CC1=O ZINC000634625912 343030755 /nfs/dbraw/zinc/03/07/55/343030755.db2.gz QXIMXKPWKFFUHS-GFCCVEGCSA-N 0 2 246.310 2.795 20 0 BFADLN CC1(C)CCC[C@H]1n1[nH]c(-c2ccoc2)cc1=O ZINC000634625912 343030757 /nfs/dbraw/zinc/03/07/57/343030757.db2.gz QXIMXKPWKFFUHS-GFCCVEGCSA-N 0 2 246.310 2.795 20 0 BFADLN CCCC1=NN(CC2(C)CCCC2)C(=O)C1 ZINC000634630518 343039484 /nfs/dbraw/zinc/03/94/84/343039484.db2.gz YEOLGRNJRIYBCP-UHFFFAOYSA-N 0 2 222.332 2.955 20 0 BFADLN CCN(C(=O)NCCCCSC)C1CCC1 ZINC000350504820 136361844 /nfs/dbraw/zinc/36/18/44/136361844.db2.gz CJENZJLMCZHWGX-UHFFFAOYSA-N 0 2 244.404 2.714 20 0 BFADLN CC(C)[C@H]1CN(Cc2ccccc2F)CCO1 ZINC000351107790 136367922 /nfs/dbraw/zinc/36/79/22/136367922.db2.gz ZFFYXFFFFNAMRQ-CQSZACIVSA-N 0 2 237.318 2.683 20 0 BFADLN Cc1n[nH]c(NC(=O)C[C@@H](C)CC(C)(C)C)n1 ZINC000112703238 343498460 /nfs/dbraw/zinc/49/84/60/343498460.db2.gz FBNXKJFOSWYMHR-MRVPVSSYSA-N 0 2 238.335 2.514 20 0 BFADLN Cc1nc(=NCc2ccc([C@@H]3C[C@@H]3C)o2)s[nH]1 ZINC000565808370 343714507 /nfs/dbraw/zinc/71/45/07/343714507.db2.gz BEWLDIMDWAIFCS-OIBJUYFYSA-N 0 2 249.339 2.597 20 0 BFADLN C1CC1c1nsc(N[C@@H]2CC23CCCCC3)n1 ZINC000356791736 192082604 /nfs/dbraw/zinc/08/26/04/192082604.db2.gz JNJUEZBWZHEYPK-SNVBAGLBSA-N 0 2 249.383 2.972 20 0 BFADLN CCc1nsc(NC2CCC(F)(F)CC2)n1 ZINC000335596469 345415478 /nfs/dbraw/zinc/41/54/78/345415478.db2.gz JAXJUEJPNTVLKU-UHFFFAOYSA-N 0 2 247.314 2.512 20 0 BFADLN CC[C@H](N=c1[nH]nc(C)s1)[C@H]1CC1(C)C ZINC000397789818 323096381 /nfs/dbraw/zinc/09/63/81/323096381.db2.gz ZHAGQWLNJLCYKQ-BDAKNGLRSA-N 0 2 225.361 2.505 20 0 BFADLN Cc1ccccc1CNc1cccc(C(=O)[O-])[nH+]1 ZINC000051043288 179285420 /nfs/dbraw/zinc/28/54/20/179285420.db2.gz FYFUPBAMHPYZPY-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN CC(C)(C)c1nc(=NC2(CF)CCC2)s[nH]1 ZINC000577367908 365935081 /nfs/dbraw/zinc/93/50/81/365935081.db2.gz FUOFVWICKODAJU-UHFFFAOYSA-N 0 2 243.351 2.562 20 0 BFADLN CCCC[C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000281895520 351914804 /nfs/dbraw/zinc/91/48/04/351914804.db2.gz MIGZEKGBZXSZSY-VIFPVBQESA-N 0 2 246.314 2.723 20 0 BFADLN FC(F)(F)CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000608071523 352670049 /nfs/dbraw/zinc/67/00/49/352670049.db2.gz BJCMWVXCASEAOE-UHFFFAOYSA-N 0 2 243.232 2.605 20 0 BFADLN CC[C@@]1(C)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342899497 352914269 /nfs/dbraw/zinc/91/42/69/352914269.db2.gz FBIWCQFWVOEZER-HNNXBMFYSA-N 0 2 243.354 2.956 20 0 BFADLN NC(=O)c1ccccc1-c1ccccc1S ZINC000006095528 188277854 /nfs/dbraw/zinc/27/78/54/188277854.db2.gz ZRCXNEKPGBSNHE-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN Cc1n[nH]c(=NC[C@H]2CCC[C@@H]2C2CC2)s1 ZINC000413486339 191387559 /nfs/dbraw/zinc/38/75/59/191387559.db2.gz YBTDPQUTTYBBDO-GHMZBOCLSA-N 0 2 237.372 2.507 20 0 BFADLN C[C@H]1c2ccccc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000179460348 366260467 /nfs/dbraw/zinc/26/04/67/366260467.db2.gz QGEBZVNXJXRORQ-ZDUSSCGKSA-N 0 2 241.338 2.502 20 0 BFADLN CC(C)c1n[nH]c(=NCCC(C)(F)F)s1 ZINC000450551032 202194616 /nfs/dbraw/zinc/19/46/16/202194616.db2.gz CSPUKYALRURAMQ-UHFFFAOYSA-N 0 2 235.303 2.541 20 0 BFADLN CC/C=C\CN=c1[nH]c(C(F)(F)F)cs1 ZINC000450694053 202235798 /nfs/dbraw/zinc/23/57/98/202235798.db2.gz NQHAEVBORFXARQ-ARJAWSKDSA-N 0 2 236.262 2.962 20 0 BFADLN C/C=C/C[C@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495143 359696574 /nfs/dbraw/zinc/69/65/74/359696574.db2.gz JLXXYPFNNSPMMC-NNTXTVRGSA-N 0 2 247.386 2.907 20 0 BFADLN O=c1nc(-c2cncs2)[nH]c2ccsc21 ZINC000426122328 200971036 /nfs/dbraw/zinc/97/10/36/200971036.db2.gz HVVUSBXQTWDDGC-UHFFFAOYSA-N 0 2 235.293 2.520 20 0 BFADLN Cc1cc[nH+]c(NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000443945353 193032090 /nfs/dbraw/zinc/03/20/90/193032090.db2.gz JBJVCDIQBGUYNF-UHFFFAOYSA-N 0 2 247.386 2.924 20 0 BFADLN C[C@@H](N=c1[nH]ncs1)[C@@H]1CC2CCC1CC2 ZINC000382137354 367489466 /nfs/dbraw/zinc/48/94/66/367489466.db2.gz NGJCAVRDGLVXIJ-SFXRXQKFSA-N 0 2 237.372 2.587 20 0 BFADLN CCCC1=NN(Cc2cccc(F)c2)C(=O)C1 ZINC000107892876 369366676 /nfs/dbraw/zinc/36/66/76/369366676.db2.gz FCFMGUFLAIMITG-UHFFFAOYSA-N 0 2 234.274 2.714 20 0 BFADLN CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccsc1 ZINC000294178023 384268614 /nfs/dbraw/zinc/26/86/14/384268614.db2.gz DJLAYWRWMXCGGM-LBPRGKRZSA-N 0 2 235.356 2.686 20 0 BFADLN O=C1N=NC(S[C@H]2CCCc3ccccc32)N1 ZINC000187638865 384280660 /nfs/dbraw/zinc/28/06/60/384280660.db2.gz BARHEHGRWPZFFP-JTQLQIEISA-N 0 2 247.323 2.680 20 0 BFADLN O=c1[nH]nc(S[C@H]2CCCc3ccccc32)[nH]1 ZINC000187638865 384280668 /nfs/dbraw/zinc/28/06/68/384280668.db2.gz BARHEHGRWPZFFP-JTQLQIEISA-N 0 2 247.323 2.680 20 0 BFADLN c1cn(CC[N@@H+]2CCC[C@@H]2c2ccsc2)c[nH+]1 ZINC000162828947 384692964 /nfs/dbraw/zinc/69/29/64/384692964.db2.gz AUCAVUHXFKAEOC-CYBMUJFWSA-N 0 2 247.367 2.782 20 0 BFADLN C[C@@H]1C[C@H](C)CCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647447028 385034380 /nfs/dbraw/zinc/03/43/80/385034380.db2.gz GHWWXRIUVDQXRV-GHMZBOCLSA-N 0 2 248.326 2.652 20 0 BFADLN CCC[C@](C)(CC)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000361699180 385204047 /nfs/dbraw/zinc/20/40/47/385204047.db2.gz AACVKSZRFHVVDE-AWEZNQCLSA-N 0 2 249.358 2.670 20 0 BFADLN CC(C)(C)[C@@H]1CCC[C@H]1N=c1[nH]ncs1 ZINC000413585247 385847797 /nfs/dbraw/zinc/84/77/97/385847797.db2.gz UOCIMNGSIGHGJM-RKDXNWHRSA-N 0 2 225.361 2.587 20 0 BFADLN O=C([O-])c1cccc(N[C@H]2CCC23CCCC3)[nH+]1 ZINC000416414666 386297829 /nfs/dbraw/zinc/29/78/29/386297829.db2.gz GJYJFMGSVKQRDE-NSHDSACASA-N 0 2 246.310 2.915 20 0 BFADLN CC(C)(C)CN=c1nc(-c2ccccc2)o[nH]1 ZINC000354899109 387444324 /nfs/dbraw/zinc/44/43/24/387444324.db2.gz TXDGDCZXVKQHJU-UHFFFAOYSA-N 0 2 231.299 2.617 20 0 BFADLN Cc1ccccc1-c1nsc(NCC2CC2)n1 ZINC000527838937 387750967 /nfs/dbraw/zinc/75/09/67/387750967.db2.gz TWAGGEOGEAJHRR-UHFFFAOYSA-N 0 2 245.351 2.757 20 0 BFADLN O=c1[nH]nc(SCCCCc2ccccc2)[nH]1 ZINC000446057134 387988348 /nfs/dbraw/zinc/98/83/48/387988348.db2.gz XWXJIOCLZRQPDI-UHFFFAOYSA-N 0 2 249.339 2.625 20 0 BFADLN CCCC[C@@H](CCC)Sc1n[nH]c(=O)[nH]1 ZINC000446066046 387988866 /nfs/dbraw/zinc/98/88/66/387988866.db2.gz HDKPUBFKTKGEMH-MRVPVSSYSA-N 0 2 229.349 2.961 20 0 BFADLN CCCC[C@H](CC)CSc1n[nH]c(=O)[nH]1 ZINC000446066978 387993072 /nfs/dbraw/zinc/99/30/72/387993072.db2.gz NQNCVCAMZTWFHT-QMMMGPOBSA-N 0 2 229.349 2.819 20 0 BFADLN CC1(C)CCC(CSc2n[nH]c(=O)[nH]2)CC1 ZINC000446073930 387995083 /nfs/dbraw/zinc/99/50/83/387995083.db2.gz VANFNEVDDNCMDL-UHFFFAOYSA-N 0 2 241.360 2.819 20 0 BFADLN CC[C@@H](CC(=O)N=c1cc(C)c(C)n[nH]1)C(C)C ZINC000524512318 388364142 /nfs/dbraw/zinc/36/41/42/388364142.db2.gz OTWOFPMYAHPKTG-LBPRGKRZSA-N 0 2 249.358 2.526 20 0 BFADLN CCC[C@@H](C)CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000175829547 388441750 /nfs/dbraw/zinc/44/17/50/388441750.db2.gz IINGHDYLAGFEGV-SECBINFHSA-N 0 2 246.314 2.723 20 0 BFADLN CCC[C@@H](CC(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000308086693 388431786 /nfs/dbraw/zinc/43/17/86/388431786.db2.gz IYBNIACIMCWTRG-JTQLQIEISA-N 0 2 238.335 2.514 20 0 BFADLN CC[C@@H]1CCCCN1c1ccc(C(=O)[O-])c[nH+]1 ZINC000037083675 132343767 /nfs/dbraw/zinc/34/37/67/132343767.db2.gz RKTCKXPQWBMWAZ-LLVKDONJSA-N 0 2 234.299 2.549 20 0 BFADLN C[C@@H]1CCN(c2cccc(C(=O)[O-])[nH+]2)C[C@@H](C)C1 ZINC000263531750 135358050 /nfs/dbraw/zinc/35/80/50/135358050.db2.gz WXBVWCSNCMEVGG-MNOVXSKESA-N 0 2 248.326 2.652 20 0 BFADLN C[C@@H]1C[C@H](C)CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650765528 410416273 /nfs/dbraw/zinc/41/62/73/410416273.db2.gz ULYRWZVTEIRILH-GHMZBOCLSA-N 0 2 248.326 2.652 20 0 BFADLN CCC[C@@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767461 410417211 /nfs/dbraw/zinc/41/72/11/410417211.db2.gz VRGZCBHWSWPVPA-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN C[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C[C@H](C)C1 ZINC000650765531 410417625 /nfs/dbraw/zinc/41/76/25/410417625.db2.gz ULYRWZVTEIRILH-WDEREUQCSA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)C[C@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000307800642 410662722 /nfs/dbraw/zinc/66/27/22/410662722.db2.gz BOVUWFXIZDYCEM-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN CC1=NN(c2ccc(C)cc2C)C(=O)[C@@H]1C ZINC000103294682 410889085 /nfs/dbraw/zinc/88/90/85/410889085.db2.gz PILRYTUZGGVGLL-SNVBAGLBSA-N 0 2 216.284 2.662 20 0 BFADLN CC(C)[C@@]1(C)C[C@@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000397194771 410915498 /nfs/dbraw/zinc/91/54/98/410915498.db2.gz QVPRKOHIYKUYHT-GXFFZTMASA-N 0 2 234.299 2.626 20 0 BFADLN C[C@@H](CCC1CC1)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000398456849 410964620 /nfs/dbraw/zinc/96/46/20/410964620.db2.gz HHZZIJBLFRGLKX-VIFPVBQESA-N 0 2 234.299 2.770 20 0 BFADLN CN(CC1CCCCC1)c1[nH+]cccc1C(=O)[O-] ZINC000042238522 410978168 /nfs/dbraw/zinc/97/81/68/410978168.db2.gz QLROICXICWRCFF-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN Cc1n[nH]c(=N[C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC000651396015 410978357 /nfs/dbraw/zinc/97/83/57/410978357.db2.gz HQPGRSIVEDYQMV-DTWKUNHWSA-N 0 2 225.361 2.505 20 0 BFADLN CN(CCC(C)(C)C)c1[nH+]cccc1C(=O)[O-] ZINC000399769053 411063399 /nfs/dbraw/zinc/06/33/99/411063399.db2.gz YNJFYGDRMAKCJT-UHFFFAOYSA-N 0 2 236.315 2.652 20 0 BFADLN CC1=NN(c2nc3ccccc3s2)C(=O)[C@@H]1C ZINC000112736726 411217958 /nfs/dbraw/zinc/21/79/58/411217958.db2.gz NCHMHTJMBNGMNF-SSDOTTSWSA-N 0 2 245.307 2.655 20 0 BFADLN Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C ZINC000112736726 411217963 /nfs/dbraw/zinc/21/79/63/411217963.db2.gz NCHMHTJMBNGMNF-SSDOTTSWSA-N 0 2 245.307 2.655 20 0 BFADLN C[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)C1CCCC1 ZINC000070308345 411373335 /nfs/dbraw/zinc/37/33/35/411373335.db2.gz UJVHKHICGYZLJE-VIFPVBQESA-N 0 2 234.299 2.770 20 0 BFADLN CCC1(C)CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000062959708 411334916 /nfs/dbraw/zinc/33/49/16/411334916.db2.gz BGQIAUOTWNJJHL-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN CC(C)(C)c1nc(=NCCC2(C)CC2)s[nH]1 ZINC000336696722 168017931 /nfs/dbraw/zinc/01/79/31/168017931.db2.gz YWGFXDCNMXLNJB-UHFFFAOYSA-N 0 2 239.388 2.860 20 0 BFADLN C[C@@H](SCc1cnn[nH]1)c1ccc(F)cc1 ZINC000450821960 411392209 /nfs/dbraw/zinc/39/22/09/411392209.db2.gz APYBAOMPENIFHR-MRVPVSSYSA-N 0 2 237.303 2.938 20 0 BFADLN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccco1 ZINC000271447662 411430673 /nfs/dbraw/zinc/43/06/73/411430673.db2.gz DADASVWLYMIRHN-KOLCDFICSA-N 0 2 231.299 2.731 20 0 BFADLN CC(C)C[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000307811387 411485407 /nfs/dbraw/zinc/48/54/07/411485407.db2.gz IPJLYGRYIYFTJJ-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccsc1Cl ZINC000308352343 411511700 /nfs/dbraw/zinc/51/17/00/411511700.db2.gz CXCAQJFXBXOAKT-QMMMGPOBSA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1Cl ZINC000308352343 411511702 /nfs/dbraw/zinc/51/17/02/411511702.db2.gz CXCAQJFXBXOAKT-QMMMGPOBSA-N 0 2 247.747 2.697 20 0 BFADLN CC[N@H+](Cc1ccsc1Cl)[C@H](C)C(=O)[O-] ZINC000662217993 412029525 /nfs/dbraw/zinc/02/95/25/412029525.db2.gz YGMXPXCFIAPTEG-SSDOTTSWSA-N 0 2 247.747 2.697 20 0 BFADLN CC[N@@H+](Cc1ccsc1Cl)[C@H](C)C(=O)[O-] ZINC000662217993 412029529 /nfs/dbraw/zinc/02/95/29/412029529.db2.gz YGMXPXCFIAPTEG-SSDOTTSWSA-N 0 2 247.747 2.697 20 0 BFADLN O=C([O-])c1cc(N[C@@H](C2CC2)C2CCC2)cc[nH+]1 ZINC000324550744 487628550 /nfs/dbraw/zinc/62/85/50/487628550.db2.gz MBKJNUNJJNWAAE-CYBMUJFWSA-N 0 2 246.310 2.770 20 0 BFADLN COc1ccccc1[C@H](C)SCc1cnn[nH]1 ZINC000295911587 175352054 /nfs/dbraw/zinc/35/20/54/175352054.db2.gz FTBBZPRONCLHOM-VIFPVBQESA-N 0 2 249.339 2.808 20 0 BFADLN C[C@H]1CCC[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037257032 177138520 /nfs/dbraw/zinc/13/85/20/177138520.db2.gz HLZJQEVFWLKMEA-ONGXEEELSA-N 0 2 234.299 2.770 20 0 BFADLN CCC(C)(C)CNc1cc[nH+]c(C(=O)[O-])c1 ZINC000233033607 487689572 /nfs/dbraw/zinc/68/95/72/487689572.db2.gz ODNVGFURGUSQAE-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN CC[C@H]1CC[C@H](C)N1c1cc[nH+]c(C(=O)[O-])c1 ZINC000136210931 487717204 /nfs/dbraw/zinc/71/72/04/487717204.db2.gz AJZJDFHMTAGSQO-UWVGGRQHSA-N 0 2 234.299 2.547 20 0 BFADLN CC[C@H]1CC[C@@H](C)N1c1ccc(C(=O)[O-])c[nH+]1 ZINC000136210337 487718287 /nfs/dbraw/zinc/71/82/87/487718287.db2.gz XESWIBVYOYEHGS-KOLCDFICSA-N 0 2 234.299 2.547 20 0 BFADLN CCCC[C@@H](C)Oc1nc(C)[nH]c(=O)c1F ZINC001226419907 974891271 /nfs/dbraw/zinc/89/12/71/974891271.db2.gz IIFMZTLHBHJYDV-SSDOTTSWSA-N 0 2 228.267 2.587 20 0 BFADLN C[N@H+](Cc1cnc[nH]1)Cc1cccc2c1CCC2 ZINC000668422180 487727539 /nfs/dbraw/zinc/72/75/39/487727539.db2.gz SHZSUVFASUKTKN-UHFFFAOYSA-N 0 2 241.338 2.530 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CCC[C@H](F)C2)n1 ZINC000571555938 323147725 /nfs/dbraw/zinc/14/77/25/323147725.db2.gz FBPUOSCWMPGGSN-DTWKUNHWSA-N 0 2 243.351 2.776 20 0 BFADLN O=C([O-])c1ccc[nH+]c1NCCCC(F)(F)F ZINC000149515260 487540917 /nfs/dbraw/zinc/54/09/17/487540917.db2.gz DGRZVVJOYRHJMN-UHFFFAOYSA-N 0 2 248.204 2.534 20 0 BFADLN CC[C@@H](C)CCCCC(=O)Nc1nc(C)n[nH]1 ZINC000680195287 487545040 /nfs/dbraw/zinc/54/50/40/487545040.db2.gz QQFOGEHDEAOKEH-SECBINFHSA-N 0 2 238.335 2.658 20 0 BFADLN CC(C)[C@H](Nc1cccc(C(=O)[O-])[nH+]1)C1CC1 ZINC000324013943 487490326 /nfs/dbraw/zinc/49/03/26/487490326.db2.gz JXFYPFBYCCKDSY-LBPRGKRZSA-N 0 2 234.299 2.626 20 0 BFADLN CCc1nsc(NCc2cccc(CC)c2)n1 ZINC000651464092 487746414 /nfs/dbraw/zinc/74/64/14/487746414.db2.gz PSHIFFAOHPSHFF-UHFFFAOYSA-N 0 2 247.367 2.697 20 0 BFADLN Cc1ccsc1CNc1[nH+]cccc1C(=O)[O-] ZINC000085273687 488154922 /nfs/dbraw/zinc/15/49/22/488154922.db2.gz GIDVSGXIJGUURN-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)n1C ZINC000668047856 488195171 /nfs/dbraw/zinc/19/51/71/488195171.db2.gz NUKBMQJLBLTZMC-IJLUTSLNSA-N 0 2 235.375 2.595 20 0 BFADLN O=C([O-])c1ccc(NCCC2=CCCC2)[nH+]c1 ZINC000228770614 491112184 /nfs/dbraw/zinc/11/21/84/491112184.db2.gz VUMASVCAFNOCNO-UHFFFAOYSA-N 0 2 232.283 2.692 20 0 BFADLN FCC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000295046547 491115096 /nfs/dbraw/zinc/11/50/96/491115096.db2.gz NCFOOLSINGVBAN-UHFFFAOYSA-N 0 2 247.317 2.516 20 0 BFADLN CC(C)ONC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC000854754743 588805838 /nfs/dbraw/zinc/80/58/38/588805838.db2.gz SGNDFFCHXVYYPA-HNNXBMFYSA-N 0 2 247.338 2.811 20 0 BFADLN CC[C@H](C)N(CC)C(=O)[C@H](F)C(F)(F)F ZINC000855146556 588824222 /nfs/dbraw/zinc/82/42/22/588824222.db2.gz XZWIPLXSPIHUNI-BQBZGAKWSA-N 0 2 229.217 2.534 20 0 BFADLN CC[C@H](C)N(CC)C(=O)C(F)C(F)(F)F ZINC000855146556 588824223 /nfs/dbraw/zinc/82/42/23/588824223.db2.gz XZWIPLXSPIHUNI-BQBZGAKWSA-N 0 2 229.217 2.534 20 0 BFADLN CCS[C@@H](C(=O)NOCC1CCC1)C(C)C ZINC000856347172 588869143 /nfs/dbraw/zinc/86/91/43/588869143.db2.gz FXZZIPFXWNLCDI-LLVKDONJSA-N 0 2 245.388 2.612 20 0 BFADLN Cc1[nH]nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000893872679 583237418 /nfs/dbraw/zinc/23/74/18/583237418.db2.gz XWHFJDINWOAABK-UWVGGRQHSA-N 0 2 221.348 2.504 20 0 BFADLN Fc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c[nH]1)CCC2 ZINC000894613344 583494685 /nfs/dbraw/zinc/49/46/85/583494685.db2.gz AEIFDNVCGUMWMN-CQSZACIVSA-N 0 2 245.301 2.716 20 0 BFADLN O=C(NC1CCC=CCC1)[C@H](F)C(F)(F)F ZINC000895217342 583627788 /nfs/dbraw/zinc/62/77/88/583627788.db2.gz QKZQTFHESGXZBR-QMMMGPOBSA-N 0 2 239.212 2.502 20 0 BFADLN O=C(NC1CCC=CCC1)C(F)C(F)(F)F ZINC000895217342 583627790 /nfs/dbraw/zinc/62/77/90/583627790.db2.gz QKZQTFHESGXZBR-QMMMGPOBSA-N 0 2 239.212 2.502 20 0 BFADLN Cc1ccc2cc[nH+]c(NC[C@H]3CC[N@H+]3C)c2c1 ZINC000895769215 583724336 /nfs/dbraw/zinc/72/43/36/583724336.db2.gz OJYPGNFYKUKPTJ-CYBMUJFWSA-N 0 2 241.338 2.659 20 0 BFADLN CC(C)CCSc1cc(Cl)[nH]c(=O)n1 ZINC000858429771 588953707 /nfs/dbraw/zinc/95/37/07/588953707.db2.gz RELXNTFRLHRELR-UHFFFAOYSA-N 0 2 232.736 2.974 20 0 BFADLN O=C1CC(CC2CC2)=NN1c1ncccc1Cl ZINC000899348832 584202231 /nfs/dbraw/zinc/20/22/31/584202231.db2.gz MGBFBNMSXKQVMU-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=c1cc(CC2CC2)[nH]n1-c1ncccc1Cl ZINC000899348832 584202232 /nfs/dbraw/zinc/20/22/32/584202232.db2.gz MGBFBNMSXKQVMU-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN CC1=NN(c2ccc(F)cc2Cl)C(=O)[C@@H]1C ZINC000899362430 584207506 /nfs/dbraw/zinc/20/75/06/584207506.db2.gz STYKZRARAGTOMR-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN CCCC1=NN(C2CCC(F)(F)CC2)C(=O)C1 ZINC000899366054 584207525 /nfs/dbraw/zinc/20/75/25/584207525.db2.gz HMWDBYVENXHUJT-UHFFFAOYSA-N 0 2 244.285 2.953 20 0 BFADLN CC[C@H](CNc1[nH+]ccc(C)c1Cl)C(=O)[O-] ZINC000900977168 584370447 /nfs/dbraw/zinc/37/04/47/584370447.db2.gz VJYDHILESQGVNO-MRVPVSSYSA-N 0 2 242.706 2.566 20 0 BFADLN Cc1ccc(C(=O)[O-])cc1-c1cn2c([nH+]1)CCC2 ZINC000901001399 584373330 /nfs/dbraw/zinc/37/33/30/584373330.db2.gz UCJMVOLVTOBHJT-UHFFFAOYSA-N 0 2 242.278 2.503 20 0 BFADLN CC[C@H]1CC[C@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901717441 584488381 /nfs/dbraw/zinc/48/83/81/584488381.db2.gz QTKFIKLSAGXTOK-GXFFZTMASA-N 0 2 249.310 2.751 20 0 BFADLN Cc1ccc([NH2+]CC2(C)CC2)cc1C(=O)[O-] ZINC000901717238 584488500 /nfs/dbraw/zinc/48/85/00/584488500.db2.gz JKMUFYGPNHIBQJ-UHFFFAOYSA-N 0 2 219.284 2.905 20 0 BFADLN COc1ccc([NH2+][C@H](C)[C@H]2C[C@H]2C(=O)[O-])c(C)c1 ZINC000902100727 584526000 /nfs/dbraw/zinc/52/60/00/584526000.db2.gz HMKSYSPCBJJLKI-YUSALJHKSA-N 0 2 249.310 2.525 20 0 BFADLN COc1cc(C)ccc1[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902188830 584535739 /nfs/dbraw/zinc/53/57/39/584535739.db2.gz FTPOPJAIKNTUJI-OUAUKWLOSA-N 0 2 249.310 2.525 20 0 BFADLN CCCOc1ccc([NH2+][C@@H](C)C(=O)[O-])cc1C ZINC000904254386 584858941 /nfs/dbraw/zinc/85/89/41/584858941.db2.gz XNZHFDAOURYPGS-JTQLQIEISA-N 0 2 237.299 2.669 20 0 BFADLN CCCOc1ccc([NH2+][C@H](C)C(=O)[O-])cc1C ZINC000904254387 584859055 /nfs/dbraw/zinc/85/90/55/584859055.db2.gz XNZHFDAOURYPGS-SNVBAGLBSA-N 0 2 237.299 2.669 20 0 BFADLN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000788134956 585093596 /nfs/dbraw/zinc/09/35/96/585093596.db2.gz WZJUUTWRBDHUIF-GJMOJQLCSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCC[C@H](C)N1C(=O)C(F)C(F)(F)F ZINC000788134956 585093597 /nfs/dbraw/zinc/09/35/97/585093597.db2.gz WZJUUTWRBDHUIF-GJMOJQLCSA-N 0 2 241.228 2.676 20 0 BFADLN CCN(C(=O)[C@H](F)C(F)(F)F)[C@H](C)C(C)C ZINC000839264863 585100433 /nfs/dbraw/zinc/10/04/33/585100433.db2.gz RPBZLCPOIMLWID-SFYZADRCSA-N 0 2 243.244 2.780 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)[C@H](C)C(C)C ZINC000839264863 585100434 /nfs/dbraw/zinc/10/04/34/585100434.db2.gz RPBZLCPOIMLWID-SFYZADRCSA-N 0 2 243.244 2.780 20 0 BFADLN CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H](C)C(C)C ZINC000839264860 585100541 /nfs/dbraw/zinc/10/05/41/585100541.db2.gz RPBZLCPOIMLWID-JGVFFNPUSA-N 0 2 243.244 2.780 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)[C@@H](C)C(C)C ZINC000839264860 585100542 /nfs/dbraw/zinc/10/05/42/585100542.db2.gz RPBZLCPOIMLWID-JGVFFNPUSA-N 0 2 243.244 2.780 20 0 BFADLN CC[C@H](C)COC(=O)c1cc(F)c(O)c(F)c1 ZINC000759537193 585374958 /nfs/dbraw/zinc/37/49/58/585374958.db2.gz HGBJCBXYRFRTNE-ZETCQYMHSA-N 0 2 244.237 2.873 20 0 BFADLN O=C([C@H](F)C(F)(F)F)N1CCCCCCC1 ZINC000764039469 585458930 /nfs/dbraw/zinc/45/89/30/585458930.db2.gz AKZJNNYTZNKIEN-QMMMGPOBSA-N 0 2 241.228 2.680 20 0 BFADLN O=C(C(F)C(F)(F)F)N1CCCCCCC1 ZINC000764039469 585458931 /nfs/dbraw/zinc/45/89/31/585458931.db2.gz AKZJNNYTZNKIEN-QMMMGPOBSA-N 0 2 241.228 2.680 20 0 BFADLN CN(CC1CCCC1)C(=O)[C@H](F)C(F)(F)F ZINC000764466183 585465834 /nfs/dbraw/zinc/46/58/34/585465834.db2.gz VRFMPCWQKSLJAX-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CN(CC1CCCC1)C(=O)C(F)C(F)(F)F ZINC000764466183 585465835 /nfs/dbraw/zinc/46/58/35/585465835.db2.gz VRFMPCWQKSLJAX-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CCCCS[C@H](C)C(=O)NOC1CCCC1 ZINC000774875905 585668168 /nfs/dbraw/zinc/66/81/68/585668168.db2.gz XQSOZLMTXAUVLX-SNVBAGLBSA-N 0 2 245.388 2.899 20 0 BFADLN C[C@H]1CCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775691252 585683184 /nfs/dbraw/zinc/68/31/84/585683184.db2.gz ONPDAQJMPLKURX-QMMMGPOBSA-N 0 2 239.702 2.528 20 0 BFADLN C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1O ZINC000775766530 585684439 /nfs/dbraw/zinc/68/44/39/585684439.db2.gz YWUDTBLLVLPPKT-MRVPVSSYSA-N 0 2 239.702 2.670 20 0 BFADLN C[C@H](C(=O)NOC1CCCCC1)c1ccco1 ZINC000777960145 585724366 /nfs/dbraw/zinc/72/43/66/585724366.db2.gz ROIQLUPFQSFOIA-JTQLQIEISA-N 0 2 237.299 2.764 20 0 BFADLN CC[C@H](SC)C(=O)NOC1CCCCC1 ZINC000777962324 585724584 /nfs/dbraw/zinc/72/45/84/585724584.db2.gz DBFHBFAYFUZWFM-JTQLQIEISA-N 0 2 231.361 2.509 20 0 BFADLN C[C@@H](N(C)C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C ZINC000810062573 586533058 /nfs/dbraw/zinc/53/30/58/586533058.db2.gz GMUFIWCHXVLGTQ-RNFRBKRXSA-N 0 2 243.244 2.780 20 0 BFADLN C[C@@H](N(C)C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810062573 586533060 /nfs/dbraw/zinc/53/30/60/586533060.db2.gz GMUFIWCHXVLGTQ-RNFRBKRXSA-N 0 2 243.244 2.780 20 0 BFADLN CCCN(CC(C)C)C(=O)[C@H](F)C(F)(F)F ZINC000810083407 586533202 /nfs/dbraw/zinc/53/32/02/586533202.db2.gz KAWTYBRPNQIDOA-QMMMGPOBSA-N 0 2 243.244 2.781 20 0 BFADLN CCCN(CC(C)C)C(=O)C(F)C(F)(F)F ZINC000810083407 586533203 /nfs/dbraw/zinc/53/32/03/586533203.db2.gz KAWTYBRPNQIDOA-QMMMGPOBSA-N 0 2 243.244 2.781 20 0 BFADLN CCCN(CC(C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000810083406 586533340 /nfs/dbraw/zinc/53/33/40/586533340.db2.gz KAWTYBRPNQIDOA-MRVPVSSYSA-N 0 2 243.244 2.781 20 0 BFADLN CCCN(CC(C)C)C(=O)C(F)C(F)(F)F ZINC000810083406 586533342 /nfs/dbraw/zinc/53/33/42/586533342.db2.gz KAWTYBRPNQIDOA-MRVPVSSYSA-N 0 2 243.244 2.781 20 0 BFADLN C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C(C)(C)C1 ZINC000810467663 586539662 /nfs/dbraw/zinc/53/96/62/586539662.db2.gz XLGSLAHNSCBBKF-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC000810467663 586539663 /nfs/dbraw/zinc/53/96/63/586539663.db2.gz XLGSLAHNSCBBKF-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H](C)CN(CC)C(=O)[C@H](F)C(F)(F)F ZINC000810475318 586539721 /nfs/dbraw/zinc/53/97/21/586539721.db2.gz JIPRCBKDSLTUKH-SFYZADRCSA-N 0 2 243.244 2.781 20 0 BFADLN CC[C@@H](C)CN(CC)C(=O)C(F)C(F)(F)F ZINC000810475318 586539722 /nfs/dbraw/zinc/53/97/22/586539722.db2.gz JIPRCBKDSLTUKH-SFYZADRCSA-N 0 2 243.244 2.781 20 0 BFADLN CC1(C)CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810851858 586548222 /nfs/dbraw/zinc/54/82/22/586548222.db2.gz UQQADDAOERLSGY-RNFRBKRXSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000810851858 586548223 /nfs/dbraw/zinc/54/82/23/586548223.db2.gz UQQADDAOERLSGY-RNFRBKRXSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](CCC1CC1)NC(=O)[C@@H](F)C(F)(F)F ZINC000811115672 586555230 /nfs/dbraw/zinc/55/52/30/586555230.db2.gz IZUZZHVUDOFKSE-POYBYMJQSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](CCC1CC1)NC(=O)C(F)C(F)(F)F ZINC000811115672 586555231 /nfs/dbraw/zinc/55/52/31/586555231.db2.gz IZUZZHVUDOFKSE-POYBYMJQSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H]1CCCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000811161228 586555824 /nfs/dbraw/zinc/55/58/24/586555824.db2.gz TUZVMVZTVUEJDQ-YUMQZZPRSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@H]1CCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811161228 586555825 /nfs/dbraw/zinc/55/58/25/586555825.db2.gz TUZVMVZTVUEJDQ-YUMQZZPRSA-N 0 2 241.228 2.535 20 0 BFADLN CCCc1nc(=NOC[C@H](C)CC)s[nH]1 ZINC000813621929 586604769 /nfs/dbraw/zinc/60/47/69/586604769.db2.gz IYWIVYBHRDWVIP-MRVPVSSYSA-N 0 2 229.349 2.880 20 0 BFADLN CN(C(=O)[C@@H](F)C(F)(F)F)C1(C)CCCC1 ZINC000816519500 586738019 /nfs/dbraw/zinc/73/80/19/586738019.db2.gz LOSNSZQAOPAZEB-SSDOTTSWSA-N 0 2 241.228 2.678 20 0 BFADLN CN(C(=O)C(F)C(F)(F)F)C1(C)CCCC1 ZINC000816519500 586738022 /nfs/dbraw/zinc/73/80/22/586738022.db2.gz LOSNSZQAOPAZEB-SSDOTTSWSA-N 0 2 241.228 2.678 20 0 BFADLN Cc1c[nH+]cc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000821140920 587098318 /nfs/dbraw/zinc/09/83/18/587098318.db2.gz KSJYRQKQZFIYIY-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN Cc1[nH+]cccc1NCc1cccc(C(=O)[O-])c1 ZINC000821196964 587101055 /nfs/dbraw/zinc/10/10/55/587101055.db2.gz SZLACILFQPGLGI-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN CC1(C(=O)NOc2ccc(F)cc2)CC=CC1 ZINC000824622332 587279923 /nfs/dbraw/zinc/27/99/23/587279923.db2.gz DTIJQSRBNUVDBC-UHFFFAOYSA-N 0 2 235.258 2.592 20 0 BFADLN CCC1(NC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC000834304331 587750888 /nfs/dbraw/zinc/75/08/88/587750888.db2.gz QOEAMJKAJQRXMV-SSDOTTSWSA-N 0 2 241.228 2.726 20 0 BFADLN CCC1(NC(=O)C(F)C(F)(F)F)CCCC1 ZINC000834304331 587750889 /nfs/dbraw/zinc/75/08/89/587750889.db2.gz QOEAMJKAJQRXMV-SSDOTTSWSA-N 0 2 241.228 2.726 20 0 BFADLN CC(C)(NC(=O)[C@@H](F)C(F)(F)F)C1CCC1 ZINC000836847483 587839477 /nfs/dbraw/zinc/83/94/77/587839477.db2.gz PBAAHCWXDIGZFG-SSDOTTSWSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)(NC(=O)C(F)C(F)(F)F)C1CCC1 ZINC000836847483 587839478 /nfs/dbraw/zinc/83/94/78/587839478.db2.gz PBAAHCWXDIGZFG-SSDOTTSWSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@H](NC(=O)C(F)(F)F)c1ccccc1F ZINC000846432772 588266102 /nfs/dbraw/zinc/26/61/02/588266102.db2.gz TYXUHGTWSGFWJJ-VIFPVBQESA-N 0 2 249.207 2.955 20 0 BFADLN CCCN(C(=O)[C@H](F)C(F)(F)F)C(C)C ZINC000847173903 588308610 /nfs/dbraw/zinc/30/86/10/588308610.db2.gz WFBWCHQSPYIJHI-ZETCQYMHSA-N 0 2 229.217 2.534 20 0 BFADLN CCCN(C(=O)C(F)C(F)(F)F)C(C)C ZINC000847173903 588308611 /nfs/dbraw/zinc/30/86/11/588308611.db2.gz WFBWCHQSPYIJHI-ZETCQYMHSA-N 0 2 229.217 2.534 20 0 BFADLN O=c1c2c([nH]n1CC1CC1)CCCCCC2 ZINC000871943767 589837759 /nfs/dbraw/zinc/83/77/59/589837759.db2.gz RTFNMRHIRKFXGM-NSHDSACASA-N 0 2 220.316 2.565 20 0 BFADLN Cc1cc(F)ccc1N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000871948711 589839326 /nfs/dbraw/zinc/83/93/26/589839326.db2.gz ZNKGRYLHYKUAGO-KCJUWKMLSA-N 0 2 246.285 2.883 20 0 BFADLN Cc1cc(F)ccc1N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000871948713 589839332 /nfs/dbraw/zinc/83/93/32/589839332.db2.gz ZNKGRYLHYKUAGO-LDYMZIIASA-N 0 2 246.285 2.883 20 0 BFADLN CCCCCC[C@H](C)n1[nH]c(COC)cc1=O ZINC000871958704 589844276 /nfs/dbraw/zinc/84/42/76/589844276.db2.gz DYXBQOFUWUORDW-NSHDSACASA-N 0 2 240.347 2.580 20 0 BFADLN O=C([O-])c1ccc(N2CCCCCCC2)[nH+]c1 ZINC000020266275 590094062 /nfs/dbraw/zinc/09/40/62/590094062.db2.gz ZNOGYYVLJOIBIO-UHFFFAOYSA-N 0 2 234.299 2.550 20 0 BFADLN CCCCSCC(=O)NOC1CCCC1 ZINC000135352668 592008296 /nfs/dbraw/zinc/00/82/96/592008296.db2.gz KYJSWIMTNQKZOL-UHFFFAOYSA-N 0 2 231.361 2.510 20 0 BFADLN O=C([O-])c1cccc(N2CCC3(CCCC3)C2)[nH+]1 ZINC000302516019 592549483 /nfs/dbraw/zinc/54/94/83/592549483.db2.gz NYPKWKIQGQDIIR-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN CC(C)CCOc1ccc([NH2+]CC(=O)[O-])cc1 ZINC000196598856 600827021 /nfs/dbraw/zinc/82/70/21/600827021.db2.gz NWYNEOKVOBQZIE-UHFFFAOYSA-N 0 2 237.299 2.608 20 0 BFADLN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000725887471 633871671 /nfs/dbraw/zinc/87/16/71/633871671.db2.gz OWJSBHQEDQAGOB-SVRRBLITSA-N 0 2 247.216 2.582 20 0 BFADLN CC(C)(/C=C/Cl)NC(=O)C(F)C(F)(F)F ZINC000928928916 636523448 /nfs/dbraw/zinc/52/34/48/636523448.db2.gz HWGYZVQFDZGCET-BHYDHMSTSA-N 0 2 247.619 2.534 20 0 BFADLN CC(C)(/C=C/Cl)NC(=O)[C@H](F)C(F)(F)F ZINC000928928916 636523454 /nfs/dbraw/zinc/52/34/54/636523454.db2.gz HWGYZVQFDZGCET-BHYDHMSTSA-N 0 2 247.619 2.534 20 0 BFADLN CC(C)c1[nH+]cc(-c2cccc(C(=O)[O-])c2)n1C ZINC000900999375 637225636 /nfs/dbraw/zinc/22/56/36/637225636.db2.gz FPHWMYJOYVAVOB-UHFFFAOYSA-N 0 2 244.294 2.909 20 0 BFADLN Cc1[nH]c(C[N@@H+]2CCCC3(CC3)CC2)c(C)[nH+]1 ZINC000931335791 640162098 /nfs/dbraw/zinc/16/20/98/640162098.db2.gz XICRSCQPDSIGAP-UHFFFAOYSA-N 0 2 233.359 2.793 20 0 BFADLN N#CC(C(=O)C1CC1)c1nc2ccccc2s1 ZINC000046441489 640765844 /nfs/dbraw/zinc/76/58/44/640765844.db2.gz FBXKSRYMRHVQLQ-SECBINFHSA-N 0 2 242.303 2.883 20 0 BFADLN N#C[C@H](C(=O)C1CC1)c1nc2ccccc2s1 ZINC000046441489 640765852 /nfs/dbraw/zinc/76/58/52/640765852.db2.gz FBXKSRYMRHVQLQ-SECBINFHSA-N 0 2 242.303 2.883 20 0 BFADLN C[C@H]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000764457875 644657931 /nfs/dbraw/zinc/65/79/31/644657931.db2.gz SUQQRCOVKFXAPA-YUMQZZPRSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000764457875 644657933 /nfs/dbraw/zinc/65/79/33/644657933.db2.gz SUQQRCOVKFXAPA-YUMQZZPRSA-N 0 2 241.228 2.535 20 0 BFADLN Cc1ccc(CC(=O)NOc2ccccc2)s1 ZINC000773465542 644692971 /nfs/dbraw/zinc/69/29/71/644692971.db2.gz FWPAXNROPADQPM-UHFFFAOYSA-N 0 2 247.319 2.709 20 0 BFADLN CC[C@@H]1[C@H](C)CCN1C(=O)C(F)C(F)(F)F ZINC000811185833 644911353 /nfs/dbraw/zinc/91/13/53/644911353.db2.gz USWZACGJJTYTSL-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H](F)C(F)(F)F ZINC000811185833 644911359 /nfs/dbraw/zinc/91/13/59/644911359.db2.gz USWZACGJJTYTSL-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN Cc1nnc(-c2cc(Cl)c(F)cc2O)o1 ZINC001253470771 969182203 /nfs/dbraw/zinc/18/22/03/969182203.db2.gz HVEFSYDYGVCOHC-UHFFFAOYSA-N 0 2 228.610 2.543 20 0 BFADLN COC(=O)Nc1ccc(Cl)c(Cl)c1O ZINC001193912833 981512885 /nfs/dbraw/zinc/51/28/85/981512885.db2.gz QYDUQAICRJXMSQ-UHFFFAOYSA-N 0 2 236.054 2.877 20 0 BFADLN Oc1c(F)c(F)c(OC2CCC2)c(F)c1F ZINC001225878453 974711224 /nfs/dbraw/zinc/71/12/24/974711224.db2.gz CCSKKECMTDTXOK-UHFFFAOYSA-N 0 2 236.164 2.880 20 0 BFADLN C[C@@H]1CCC[N@@H+]1Cc1cc(F)c([O-])cc1F ZINC001144646833 972912137 /nfs/dbraw/zinc/91/21/37/972912137.db2.gz MLJNIMRSYRMXJX-MRVPVSSYSA-N 0 2 227.254 2.655 20 0 BFADLN C[C@@H]1CCC[N@H+]1Cc1cc(F)c([O-])cc1F ZINC001144646833 972912161 /nfs/dbraw/zinc/91/21/61/972912161.db2.gz MLJNIMRSYRMXJX-MRVPVSSYSA-N 0 2 227.254 2.655 20 0 BFADLN CSc1ncc(Nc2nnco2)cc1Cl ZINC001216025266 970905176 /nfs/dbraw/zinc/90/51/76/970905176.db2.gz LGYSVEDXHJBPJY-UHFFFAOYSA-N 0 2 242.691 2.584 20 0 BFADLN CSc1ncc(C)cc1Nc1nnc(C)o1 ZINC001216239445 971000019 /nfs/dbraw/zinc/00/00/19/971000019.db2.gz LCJNOTSOFAZQHU-UHFFFAOYSA-N 0 2 236.300 2.547 20 0 BFADLN CC(C)CC(=O)Nc1ccccc1S ZINC000170185253 971885882 /nfs/dbraw/zinc/88/58/82/971885882.db2.gz MTOSTCGMNQIQDT-UHFFFAOYSA-N 0 2 209.314 2.960 20 0 BFADLN C[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccccc1 ZINC000019844708 957123111 /nfs/dbraw/zinc/12/31/11/957123111.db2.gz CQWISAOYIXFCKD-JTQLQIEISA-N 0 2 242.278 2.953 20 0 BFADLN C[C@H](N(C)c1ccc(C(=O)[O-])c[nH+]1)C(C)(C)C ZINC000042781458 957427344 /nfs/dbraw/zinc/42/73/44/957427344.db2.gz HKODNBNHGMXHKG-VIFPVBQESA-N 0 2 236.315 2.651 20 0 BFADLN Cc1ccc(CNc2ccc(C(=O)[O-])c[nH+]2)s1 ZINC000050226722 957486799 /nfs/dbraw/zinc/48/67/99/957486799.db2.gz HWDFRSSFVWAZPB-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN CCc1nnc(Nc2ccn(C(C)C)n2)s1 ZINC001210336264 957726346 /nfs/dbraw/zinc/72/63/46/957726346.db2.gz NPWLPBBEPNUPRF-UHFFFAOYSA-N 0 2 237.332 2.622 20 0 BFADLN Nc1cccc2cn(-c3cccc(S)c3)nc21 ZINC001210947582 957956029 /nfs/dbraw/zinc/95/60/29/957956029.db2.gz TZIWMIFROLWBBD-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN C[N@H+](Cc1ccsc1Cl)C(C)(C)C(=O)[O-] ZINC000308354534 963270022 /nfs/dbraw/zinc/27/00/22/963270022.db2.gz INQXWTRHXQOMBB-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN C[N@@H+](Cc1ccsc1Cl)C(C)(C)C(=O)[O-] ZINC000308354534 963270030 /nfs/dbraw/zinc/27/00/30/963270030.db2.gz INQXWTRHXQOMBB-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN CCCC[C@H](O)CNc1ccc(S)cc1 ZINC001252097136 968577157 /nfs/dbraw/zinc/57/71/57/968577157.db2.gz NCYOXVCJZGDXPY-NSHDSACASA-N 0 2 225.357 2.938 20 0 BFADLN Cc1nnc(-c2cccc(C(F)(F)F)c2O)o1 ZINC001253471121 969188514 /nfs/dbraw/zinc/18/85/14/969188514.db2.gz TZXGUVYUPMQQTI-UHFFFAOYSA-N 0 2 244.172 2.769 20 0 BFADLN CC(C)(C)[C@@H](O)CNc1ccccc1S ZINC001253733318 969357662 /nfs/dbraw/zinc/35/76/62/969357662.db2.gz UVYNAAAMRCRCBL-NSHDSACASA-N 0 2 225.357 2.794 20 0 BFADLN Fc1cccnc1Nc1noc2cccnc21 ZINC001209805755 969632641 /nfs/dbraw/zinc/63/26/41/969632641.db2.gz XUPBZFUHCVRATJ-UHFFFAOYSA-N 0 2 230.202 2.501 20 0 BFADLN COc1nonc1Nc1cccc(F)c1Cl ZINC001210540591 969933383 /nfs/dbraw/zinc/93/33/83/969933383.db2.gz PADZUBTZOCYYHZ-UHFFFAOYSA-N 0 2 243.625 2.614 20 0 BFADLN COc1cc2ccccc2c(Nc2nnco2)c1 ZINC001210585940 969963471 /nfs/dbraw/zinc/96/34/71/969963471.db2.gz MRIPRMZRGVPOCZ-UHFFFAOYSA-N 0 2 241.250 2.975 20 0 BFADLN Cc1ccc(Nc2noc(C(C)(C)C)n2)nc1 ZINC001211007170 970109142 /nfs/dbraw/zinc/10/91/42/970109142.db2.gz PEWSBBOZIVRQAX-UHFFFAOYSA-N 0 2 232.287 2.814 20 0 BFADLN [O-]c1cc(F)c(-c2cccn3c[nH+]cc23)cc1F ZINC001211359531 970251180 /nfs/dbraw/zinc/25/11/80/970251180.db2.gz ISRFJKPFGVPVHT-UHFFFAOYSA-N 0 2 246.216 2.985 20 0 BFADLN O=C(NOC1CCCCC1)C1(CF)CCC1 ZINC001328567143 973144629 /nfs/dbraw/zinc/14/46/29/973144629.db2.gz CAOYMRGRLDKGNV-UHFFFAOYSA-N 0 2 229.295 2.507 20 0 BFADLN Cc1n[nH]c(S[C@@H]2CCCC[C@H]2C)n1 ZINC001330148809 974132275 /nfs/dbraw/zinc/13/22/75/974132275.db2.gz BQMJBWDBAYQSTB-VXNVDRBHSA-N 0 2 211.334 2.784 20 0 BFADLN C[C@H]1C[C@H](Oc2ccc(S)cc2)CCO1 ZINC001225557978 974553851 /nfs/dbraw/zinc/55/38/51/974553851.db2.gz LWHPKLVKCXJUOI-GXSJLCMTSA-N 0 2 224.325 2.922 20 0 BFADLN C[C@@H]1C[C@H](Oc2ccc(S)cc2)CCO1 ZINC001225557982 974554226 /nfs/dbraw/zinc/55/42/26/974554226.db2.gz LWHPKLVKCXJUOI-MWLCHTKSSA-N 0 2 224.325 2.922 20 0 BFADLN C[C@H]1CC[C@@H](Oc2nc(Cl)cc(=O)[nH]2)CC1 ZINC001225564347 974556569 /nfs/dbraw/zinc/55/65/69/974556569.db2.gz YYDGDRTVNLDFGK-OCAPTIKFSA-N 0 2 242.706 2.793 20 0 BFADLN C[C@@H]1CC[C@H](Oc2nc(=O)[nH]cc2F)C[C@@H]1C ZINC001225882897 974716145 /nfs/dbraw/zinc/71/61/45/974716145.db2.gz XHJZDPHOPIKYSB-VGMNWLOBSA-N 0 2 240.278 2.525 20 0 BFADLN CC1(C)CCC[C@H](Oc2nc(=O)[nH]cc2F)C1 ZINC001225885094 974717625 /nfs/dbraw/zinc/71/76/25/974717625.db2.gz LHHNAKYTRCJCRD-QMMMGPOBSA-N 0 2 240.278 2.669 20 0 BFADLN CCCCC[C@H](C)Oc1nc(C)[nH]c(=O)c1F ZINC001226422775 974891247 /nfs/dbraw/zinc/89/12/47/974891247.db2.gz YOGPYUMSTYRHBO-QMMMGPOBSA-N 0 2 242.294 2.977 20 0 BFADLN Cc1nc(OC(C(C)C)C(C)C)c(F)c(=O)[nH]1 ZINC001226424613 974894121 /nfs/dbraw/zinc/89/41/21/974894121.db2.gz QZZDVIDXTANHQC-UHFFFAOYSA-N 0 2 242.294 2.689 20 0 BFADLN CCC[C@H](Oc1nc(C)[nH]c(=O)c1F)C(C)C ZINC001226424474 974894328 /nfs/dbraw/zinc/89/43/28/974894328.db2.gz QAESMFSYXPEVGN-VIFPVBQESA-N 0 2 242.294 2.833 20 0 BFADLN Cc1nsc(Nc2c(F)cccc2F)n1 ZINC001173858643 975796415 /nfs/dbraw/zinc/79/64/15/975796415.db2.gz PHDQSIDSVJVBOF-UHFFFAOYSA-N 0 2 227.239 2.868 20 0 BFADLN Cc1ccc(Nc2nnco2)c(Cl)c1 ZINC001174044088 976269987 /nfs/dbraw/zinc/26/99/87/976269987.db2.gz ISEOVFZCUHCXHY-UHFFFAOYSA-N 0 2 209.636 2.775 20 0 BFADLN CCCn1cc(Nc2noc(C(C)(C)C)n2)cn1 ZINC001174217758 976406594 /nfs/dbraw/zinc/40/65/94/976406594.db2.gz UIRWYSGLMKQTTE-UHFFFAOYSA-N 0 2 249.318 2.717 20 0 BFADLN CCOc1ncccc1Nc1nnc(C(C)C)o1 ZINC001174455776 976726360 /nfs/dbraw/zinc/72/63/60/976726360.db2.gz AJCPUYCXVIJYEI-UHFFFAOYSA-N 0 2 248.286 2.730 20 0 BFADLN Cc1cc(S)ccc1OC[C@@H]1CCCO1 ZINC001229635343 976919781 /nfs/dbraw/zinc/91/97/81/976919781.db2.gz VUFMWLLXDOXMBO-JTQLQIEISA-N 0 2 224.325 2.842 20 0 BFADLN Cc1ccc[nH+]c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174948742 977180373 /nfs/dbraw/zinc/18/03/73/977180373.db2.gz BCQZVGJPXGEMNC-UHFFFAOYSA-N 0 2 242.278 2.761 20 0 BFADLN Cc1nnc(Nc2cc(Cl)ccc2F)o1 ZINC001175297045 977356079 /nfs/dbraw/zinc/35/60/79/977356079.db2.gz NTMCZAGUZCXWDZ-UHFFFAOYSA-N 0 2 227.626 2.914 20 0 BFADLN Cc1cc[nH+]c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175327042 977375551 /nfs/dbraw/zinc/37/55/51/977375551.db2.gz CHZRPVVZVFQGBH-UHFFFAOYSA-N 0 2 228.251 2.832 20 0 BFADLN Cc1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)n[nH]1 ZINC001337042685 978138813 /nfs/dbraw/zinc/13/88/13/978138813.db2.gz RFRDCZQQNKUYRB-OAHLLOKOSA-N 0 2 241.338 2.535 20 0 BFADLN Cc1cc(CNc2cccc[nH+]2)ccc1C(=O)[O-] ZINC001600211063 978682000 /nfs/dbraw/zinc/68/20/00/978682000.db2.gz OUTGHZPGWISVGU-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN Cc1ccc(N2C[C@H](C)[C@@H](C)[C@@H]2C)[nH+]c1C(=O)[O-] ZINC001600436045 978691347 /nfs/dbraw/zinc/69/13/47/978691347.db2.gz HVMCSZIRNQXHBR-AXFHLTTASA-N 0 2 248.326 2.569 20 0 BFADLN Nc1ccc(-c2ccccc2[S-])c[nH+]1 ZINC001236313745 979523933 /nfs/dbraw/zinc/52/39/33/979523933.db2.gz ZVTMBPFLHGXTRJ-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN C[C@@H]1CC[C@@H](CNc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604700409 979705772 /nfs/dbraw/zinc/70/57/72/979705772.db2.gz QBUZGRSIBPGTGJ-ZYHUDNBSSA-N 0 2 248.326 2.557 20 0 BFADLN C[C@H]1CC[C@@H](CNc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604700404 979706391 /nfs/dbraw/zinc/70/63/91/979706391.db2.gz QBUZGRSIBPGTGJ-CMPLNLGQSA-N 0 2 248.326 2.557 20 0 BFADLN Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)[nH+]c1C(=O)[O-] ZINC001607792803 980127130 /nfs/dbraw/zinc/12/71/30/980127130.db2.gz NRUTUXDIILMXNB-NXEZZACHSA-N 0 2 248.326 2.571 20 0 BFADLN c1nocc1Nc1snnc1-c1ccccc1 ZINC001203232332 980346221 /nfs/dbraw/zinc/34/62/21/980346221.db2.gz DJTSPLOWIZKNFR-UHFFFAOYSA-N 0 2 244.279 2.937 20 0 BFADLN CCCOc1ccnc(-c2cc(F)ccc2O)n1 ZINC001240696548 981606983 /nfs/dbraw/zinc/60/69/83/981606983.db2.gz RGYHZFHOQHTEIN-UHFFFAOYSA-N 0 2 248.257 2.777 20 0 BFADLN COc1cccc(F)c1-c1ccc2[nH]nnc2c1 ZINC001241010813 982103856 /nfs/dbraw/zinc/10/38/56/982103856.db2.gz INUYHVGVYQJVOO-UHFFFAOYSA-N 0 2 243.241 2.773 20 0 BFADLN O=C([O-])c1cccc(-c2cccn3cc[nH+]c23)c1 ZINC001241359553 982515324 /nfs/dbraw/zinc/51/53/24/982515324.db2.gz NHMPTOIGSSZOES-UHFFFAOYSA-N 0 2 238.246 2.700 20 0 BFADLN O=C([O-])c1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001241359625 982517202 /nfs/dbraw/zinc/51/72/02/982517202.db2.gz WOOANVNKCVCSOW-UHFFFAOYSA-N 0 2 238.246 2.700 20 0 BFADLN Cn1ccc2ccnc(-c3ccc4nn[nH]c4c3)c21 ZINC001241939937 983157443 /nfs/dbraw/zinc/15/74/43/983157443.db2.gz RDNAXMUTTLOKGU-UHFFFAOYSA-N 0 2 249.277 2.512 20 0 BFADLN C[C@@H](CCC1CC1)Nc1cc(CC(=O)[O-])cc[nH+]1 ZINC001592478113 983171918 /nfs/dbraw/zinc/17/19/18/983171918.db2.gz RLEILAONPMNOHC-JTQLQIEISA-N 0 2 248.326 2.699 20 0 BFADLN COc1cc(Nc2ccc(N)[nH+]c2)ccc1[S-] ZINC001201295871 983180775 /nfs/dbraw/zinc/18/07/75/983180775.db2.gz VESIZEXPXDBNAU-UHFFFAOYSA-N 0 2 247.323 2.705 20 0 BFADLN Oc1cc(F)ccc1-c1nc(F)ccc1F ZINC001242218638 983420140 /nfs/dbraw/zinc/42/01/40/983420140.db2.gz ISCJXFSBPGPOQS-UHFFFAOYSA-N 0 2 225.169 2.872 20 0 BFADLN CCCOc1nccnc1-c1cccc(F)c1O ZINC001242350105 983616181 /nfs/dbraw/zinc/61/61/81/983616181.db2.gz HYXBGXDWYFQIIK-UHFFFAOYSA-N 0 2 248.257 2.777 20 0 BFADLN Oc1c(Cl)cccc1-c1cnc2[nH]ccc2n1 ZINC001242362323 983651187 /nfs/dbraw/zinc/65/11/87/983651187.db2.gz CQHFZYOPTLXOLG-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1c(Cl)cccc1-c1cccnn1 ZINC001242362658 983652360 /nfs/dbraw/zinc/65/23/60/983652360.db2.gz OEJCVVBQUXZWRY-UHFFFAOYSA-N 0 2 206.632 2.503 20 0 BFADLN Cc1cnnc(-c2cccc(Cl)c2O)c1 ZINC001242363005 983652529 /nfs/dbraw/zinc/65/25/29/983652529.db2.gz UHRLGGYWIPOJCV-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN CN(C)c1cnc(-c2cccc(Cl)c2O)cn1 ZINC001242363531 983653285 /nfs/dbraw/zinc/65/32/85/983653285.db2.gz CSWQDXGJPCIKRY-UHFFFAOYSA-N 0 2 249.701 2.569 20 0 BFADLN Oc1c(Cl)cccc1-c1cc2nccc-2[n-][nH+]1 ZINC001242365668 983656195 /nfs/dbraw/zinc/65/61/95/983656195.db2.gz QOJFTJOHGNPKHE-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1ccc(-c2cccc3[nH]nnc32)c(F)c1F ZINC001243342580 984831291 /nfs/dbraw/zinc/83/12/91/984831291.db2.gz JFGWSYWAKWZYJL-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Nc1[nH+]cccc1-c1ccc([S-])cc1 ZINC001243473641 985021269 /nfs/dbraw/zinc/02/12/69/985021269.db2.gz DLGMAXVKIIYDHJ-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN CCCONC(=O)CSc1ccccc1C ZINC000686762807 985209983 /nfs/dbraw/zinc/20/99/83/985209983.db2.gz ORLCXNPQUPVWFU-UHFFFAOYSA-N 0 2 239.340 2.545 20 0 BFADLN O=c1occcc1-c1cc(F)c(O)c(Cl)c1 ZINC001244502602 986205028 /nfs/dbraw/zinc/20/50/28/986205028.db2.gz PTUNUCNPUIBEHZ-UHFFFAOYSA-N 0 2 240.617 2.805 20 0 BFADLN Cc1ncc(-c2cc(F)c(O)c(Cl)c2)cn1 ZINC001244499439 986210659 /nfs/dbraw/zinc/21/06/59/986210659.db2.gz ISKCZTISIOIDKD-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cn1cnc(-c2ccc(Cl)c(O)c2F)c1 ZINC001244630954 986295023 /nfs/dbraw/zinc/29/50/23/986295023.db2.gz UMTMOKLEDOTMHO-UHFFFAOYSA-N 0 2 226.638 2.585 20 0 BFADLN CCC(C)(C)N1N=C(c2ccncc2)CC1=O ZINC001245910340 987134475 /nfs/dbraw/zinc/13/44/75/987134475.db2.gz JFLGFMKPZNUIQH-UHFFFAOYSA-N 0 2 231.299 2.796 20 0 BFADLN CCC(C)(C)n1[nH]c(-c2ccncc2)cc1=O ZINC001245910340 987134487 /nfs/dbraw/zinc/13/44/87/987134487.db2.gz JFLGFMKPZNUIQH-UHFFFAOYSA-N 0 2 231.299 2.796 20 0 BFADLN O=C1CC(c2ccncc2)=NN1CC1CCCC1 ZINC001245911222 987138895 /nfs/dbraw/zinc/13/88/95/987138895.db2.gz PTADHUSNBCKPTH-UHFFFAOYSA-N 0 2 243.310 2.841 20 0 BFADLN O=c1cc(-c2ccncc2)[nH]n1CC1CCCC1 ZINC001245911222 987138924 /nfs/dbraw/zinc/13/89/24/987138924.db2.gz PTADHUSNBCKPTH-UHFFFAOYSA-N 0 2 243.310 2.841 20 0 BFADLN COc1cccc(C2=NN(CC3CC3)C(=O)C2)c1 ZINC001245918946 987158627 /nfs/dbraw/zinc/15/86/27/987158627.db2.gz GIIXLAOHJMWMNF-UHFFFAOYSA-N 0 2 244.294 2.674 20 0 BFADLN COc1cccc(-c2cc(=O)n(CC3CC3)[nH]2)c1 ZINC001245918946 987158635 /nfs/dbraw/zinc/15/86/35/987158635.db2.gz GIIXLAOHJMWMNF-UHFFFAOYSA-N 0 2 244.294 2.674 20 0 BFADLN O=c1cc(COCc2ccccc2)[nH]n1C1CC1 ZINC001245922712 987170013 /nfs/dbraw/zinc/17/00/13/987170013.db2.gz IQLDIAOZTNBFJP-UHFFFAOYSA-N 0 2 244.294 2.640 20 0 BFADLN CC1=NN([C@H](C)c2ccccc2)C(=O)C1 ZINC001245927681 987189534 /nfs/dbraw/zinc/18/95/34/987189534.db2.gz CPRLTHNXEUMRIZ-SNVBAGLBSA-N 0 2 202.257 2.506 20 0 BFADLN O=c1cc(-c2ccoc2)[nH]n1-c1cccc(F)c1 ZINC001245939388 987214049 /nfs/dbraw/zinc/21/40/49/987214049.db2.gz NVVNQODIABOTCU-UHFFFAOYSA-N 0 2 244.225 2.977 20 0 BFADLN O=C1CC(c2ccc(F)c(F)c2)=NN1C1CC1 ZINC001245946266 987222739 /nfs/dbraw/zinc/22/27/39/987222739.db2.gz UUZCXFOKAYEXKU-UHFFFAOYSA-N 0 2 236.221 2.869 20 0 BFADLN O=c1cc(-c2ccc(F)c(F)c2)[nH]n1C1CC1 ZINC001245946266 987222750 /nfs/dbraw/zinc/22/27/50/987222750.db2.gz UUZCXFOKAYEXKU-UHFFFAOYSA-N 0 2 236.221 2.869 20 0 BFADLN Nc1cccc(-c2cc(=O)n(C3CCC3)[nH]2)c1 ZINC001245948901 987227503 /nfs/dbraw/zinc/22/75/03/987227503.db2.gz NRKDFCYLPUVVGU-UHFFFAOYSA-N 0 2 229.283 2.563 20 0 BFADLN C[C@H]1CC[C@@H]1NC(=O)c1cccc(Cl)c1O ZINC001117459701 987837758 /nfs/dbraw/zinc/83/77/58/987837758.db2.gz FICSVVZXVXWZKL-XVKPBYJWSA-N 0 2 239.702 2.574 20 0 BFADLN CCCn1c[nH+]cc1CNc1cc(C)cc(C)[nH+]1 ZINC001308339690 990971258 /nfs/dbraw/zinc/97/12/58/990971258.db2.gz ILQQVIHZKNHCLM-UHFFFAOYSA-N 0 2 244.342 2.917 20 0 BFADLN CCCc1ccc(NS(=O)(=O)C(F)F)cc1 ZINC001259949210 992046260 /nfs/dbraw/zinc/04/62/60/992046260.db2.gz AUZKXHUYXXAUTJ-UHFFFAOYSA-N 0 2 249.282 2.603 20 0 BFADLN Cc1cc(NS(=O)(=O)C(F)F)cc(C)c1C ZINC001259957996 992059095 /nfs/dbraw/zinc/05/90/95/992059095.db2.gz NOYUWDOUOKQKMP-UHFFFAOYSA-N 0 2 249.282 2.576 20 0 BFADLN CCN1N=C(c2ccc(F)c(F)c2)CC1=O ZINC000382676346 993466247 /nfs/dbraw/zinc/46/62/47/993466247.db2.gz STKDTKKIQSWDBN-UHFFFAOYSA-N 0 2 224.210 2.554 20 0 BFADLN CCn1[nH]c(-c2ccc(F)c(F)c2)cc1=O ZINC000382676346 993466251 /nfs/dbraw/zinc/46/62/51/993466251.db2.gz STKDTKKIQSWDBN-UHFFFAOYSA-N 0 2 224.210 2.554 20 0 BFADLN CC[C@@H](C)C[C@@H](C)N=c1ccc(SC)n[nH]1 ZINC000393753549 994001515 /nfs/dbraw/zinc/00/15/15/994001515.db2.gz QQRZBMSHKFQWPG-NXEZZACHSA-N 0 2 239.388 2.857 20 0 BFADLN O=c1c2c([nH]n1CCc1ccccc1)CCCC2 ZINC000629942798 361782953 /nfs/dbraw/zinc/78/29/53/361782953.db2.gz ZLXDWNIWYNDMSP-ZDUSSCGKSA-N 0 2 242.322 2.618 20 0 BFADLN Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000337403456 178258301 /nfs/dbraw/zinc/25/83/01/178258301.db2.gz QXEOXQGUBYCRLC-AAEUAGOBSA-N 0 2 248.370 2.784 20 0 BFADLN CCC(CC)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000176964535 168385473 /nfs/dbraw/zinc/38/54/73/168385473.db2.gz CWXNUUNGVDMULU-UHFFFAOYSA-N 0 2 243.253 2.589 20 0 BFADLN CC(C)C[C@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000037265467 398315201 /nfs/dbraw/zinc/31/52/01/398315201.db2.gz USAADXUUTAUDOX-VIFPVBQESA-N 0 2 222.288 2.626 20 0 BFADLN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3F)N=C12 ZINC000634587215 342931101 /nfs/dbraw/zinc/93/11/01/342931101.db2.gz HYLOUZVOFNWPJT-RKDXNWHRSA-N 0 2 232.258 2.574 20 0 BFADLN CC1(c2cc(=O)n(-c3ncccc3Cl)[nH]2)CC1 ZINC000634594637 342956174 /nfs/dbraw/zinc/95/61/74/342956174.db2.gz BSECBKSIMHQXQF-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000034181597 187208372 /nfs/dbraw/zinc/20/83/72/187208372.db2.gz METFEORCOGUCCZ-UHFFFAOYSA-N 0 2 220.055 2.657 20 0 BFADLN C[C@@H](C1CC1)N1N=C(c2cccs2)[C@H](C)C1=O ZINC000634597419 342973810 /nfs/dbraw/zinc/97/38/10/342973810.db2.gz JROWDFFQOLRJHE-IUCAKERBSA-N 0 2 248.351 2.729 20 0 BFADLN CCCCC1=NN([C@H](C)C2CC2)C(=O)C1 ZINC000634597334 342973856 /nfs/dbraw/zinc/97/38/56/342973856.db2.gz HKAQHYXFSMYYND-SECBINFHSA-N 0 2 208.305 2.563 20 0 BFADLN CCCCC1=NN(c2ncccc2F)C(=O)[C@H]1C ZINC000634605520 342999460 /nfs/dbraw/zinc/99/94/60/342999460.db2.gz OLRZBLCZTNWKLV-VIFPVBQESA-N 0 2 249.289 2.750 20 0 BFADLN CCCCC1=NN(c2cccc(C)n2)C(=O)[C@@H]1C ZINC000634613102 343010186 /nfs/dbraw/zinc/01/01/86/343010186.db2.gz PJLHKWOHMMKESI-LLVKDONJSA-N 0 2 245.326 2.919 20 0 BFADLN CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000001636564 187220419 /nfs/dbraw/zinc/22/04/19/187220419.db2.gz LLEDDIDLLAPZNE-UHFFFAOYSA-N 0 2 220.055 2.657 20 0 BFADLN Cc1ccc(F)cc1N1N=C2[C@@H](CC[C@@H]2C)C1=O ZINC000634615720 343013544 /nfs/dbraw/zinc/01/35/44/343013544.db2.gz PIVWESHGLACGBX-GXSJLCMTSA-N 0 2 246.285 2.883 20 0 BFADLN CCCCC1=NN([C@H](C)c2ccncc2)C(=O)C1 ZINC000634626952 343036550 /nfs/dbraw/zinc/03/65/50/343036550.db2.gz QKAFDSZBQXIVOT-LLVKDONJSA-N 0 2 245.326 2.921 20 0 BFADLN CCCCC1=NN([C@@H](C)c2ccncc2)C(=O)C1 ZINC000634626953 343036570 /nfs/dbraw/zinc/03/65/70/343036570.db2.gz QKAFDSZBQXIVOT-NSHDSACASA-N 0 2 245.326 2.921 20 0 BFADLN C[C@@H](N1N=C(c2ccoc2)CC1=O)C(C)(C)C ZINC000634629998 343038509 /nfs/dbraw/zinc/03/85/09/343038509.db2.gz JMAVCYXPWOUUHX-SECBINFHSA-N 0 2 234.299 2.651 20 0 BFADLN C[C@@H](n1[nH]c(-c2ccoc2)cc1=O)C(C)(C)C ZINC000634629998 343038511 /nfs/dbraw/zinc/03/85/11/343038511.db2.gz JMAVCYXPWOUUHX-SECBINFHSA-N 0 2 234.299 2.651 20 0 BFADLN CC1(Cn2[nH]c3c(c2=O)CCCC3)CCCC1 ZINC000634630335 343039108 /nfs/dbraw/zinc/03/91/08/343039108.db2.gz SKBZZIARMHACSH-LLVKDONJSA-N 0 2 234.343 2.955 20 0 BFADLN O=[S@@](CC[C@H]1CCCCO1)c1ccccc1 ZINC000350507902 136361936 /nfs/dbraw/zinc/36/19/36/136361936.db2.gz JGWBNQBYHAFRPV-WBMJQRKESA-N 0 2 238.352 2.753 20 0 BFADLN COc1ccc(C)cc1CSCc1cnn[nH]1 ZINC000287606092 187345735 /nfs/dbraw/zinc/34/57/35/187345735.db2.gz SPSQRIZVQASHJS-UHFFFAOYSA-N 0 2 249.339 2.555 20 0 BFADLN CC[C@H](N=c1[nH]nc(C)s1)C1CCCC1 ZINC000387624866 346967798 /nfs/dbraw/zinc/96/77/98/346967798.db2.gz CYHGBZWUYSJQFX-JTQLQIEISA-N 0 2 225.361 2.649 20 0 BFADLN C[C@H](SCc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000600603537 344338266 /nfs/dbraw/zinc/33/82/66/344338266.db2.gz MEAJFPXQHAWNLN-QMMMGPOBSA-N 0 2 235.312 2.505 20 0 BFADLN CC[C@H](Nc1nc(C)ns1)[C@H]1CC1(C)C ZINC000418997833 192096802 /nfs/dbraw/zinc/09/68/02/192096802.db2.gz PCDBKRQVJMQZRD-BDAKNGLRSA-N 0 2 225.361 2.505 20 0 BFADLN CN(Cc1ccccc1)C(=O)[C@H](F)C(F)(F)F ZINC000277602200 538011220 /nfs/dbraw/zinc/01/12/20/538011220.db2.gz XPQPIFIUUQCVAU-VIFPVBQESA-N 0 2 249.207 2.545 20 0 BFADLN CN(Cc1ccccc1)C(=O)C(F)C(F)(F)F ZINC000277602200 538011226 /nfs/dbraw/zinc/01/12/26/538011226.db2.gz XPQPIFIUUQCVAU-VIFPVBQESA-N 0 2 249.207 2.545 20 0 BFADLN Cc1cc(=NC(=O)C(C)(C)C(C)(C)C)[nH]nc1C ZINC000410482787 191044878 /nfs/dbraw/zinc/04/48/78/191044878.db2.gz CCTMZMBPIXHCCR-UHFFFAOYSA-N 0 2 249.358 2.526 20 0 BFADLN CC(C)C[C@H](C)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051042671 191087405 /nfs/dbraw/zinc/08/74/05/191087405.db2.gz YMOGJIWOVMZDGH-VIFPVBQESA-N 0 2 222.288 2.626 20 0 BFADLN Cc1nnc(N2c3ccccc3C[C@@H]2C)nc1C ZINC000356175494 180428991 /nfs/dbraw/zinc/42/89/91/180428991.db2.gz SXGBHBNPNQCSLI-VIFPVBQESA-N 0 2 240.310 2.571 20 0 BFADLN Cc1n[nH]c(=NCCCCc2ccccc2)s1 ZINC000607142880 350943254 /nfs/dbraw/zinc/94/32/54/350943254.db2.gz LQZXZUGGJMXTIQ-UHFFFAOYSA-N 0 2 247.367 2.703 20 0 BFADLN Cc1cc(C)cc(CSCc2cnn[nH]2)c1 ZINC000295944127 188039352 /nfs/dbraw/zinc/03/93/52/188039352.db2.gz IENJRRXNNXZGFK-UHFFFAOYSA-N 0 2 233.340 2.855 20 0 BFADLN Cc1ccc(C)c(CSCc2cnn[nH]2)c1 ZINC000287503998 188388747 /nfs/dbraw/zinc/38/87/47/188388747.db2.gz KSHHGILVCFOBTA-UHFFFAOYSA-N 0 2 233.340 2.855 20 0 BFADLN O=C([O-])c1ccc[nH+]c1NCc1ccccc1F ZINC000019845125 354987787 /nfs/dbraw/zinc/98/77/87/354987787.db2.gz MRPUIOINGPXYNV-UHFFFAOYSA-N 0 2 246.241 2.531 20 0 BFADLN CC[C@@]1(C(C)C)C[C@H]1Nc1nc(C)ns1 ZINC000413371744 191376526 /nfs/dbraw/zinc/37/65/26/191376526.db2.gz GUUNRMSQFJBIPL-KOLCDFICSA-N 0 2 225.361 2.505 20 0 BFADLN CC[C@@]1(C(C)C)C[C@H]1N=c1nc(C)[nH]s1 ZINC000413371744 191376529 /nfs/dbraw/zinc/37/65/29/191376529.db2.gz GUUNRMSQFJBIPL-KOLCDFICSA-N 0 2 225.361 2.505 20 0 BFADLN CC1(CNc2nc(C3CCCC3)ns2)CC1 ZINC000420598544 192247768 /nfs/dbraw/zinc/24/77/68/192247768.db2.gz JWDLJDIBCANAMY-UHFFFAOYSA-N 0 2 237.372 2.830 20 0 BFADLN C1CCC(c2nsc(N[C@@H]3[C@@H]4CCC[C@@H]43)n2)C1 ZINC000420620527 192250270 /nfs/dbraw/zinc/25/02/70/192250270.db2.gz DPRGOPPXBIUBLL-JGPRNRPPSA-N 0 2 249.383 2.828 20 0 BFADLN CC(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000450090956 202078115 /nfs/dbraw/zinc/07/81/15/202078115.db2.gz NHEDOSOIUHFKFK-OPRDCNLKSA-N 0 2 249.276 2.689 20 0 BFADLN Cc1ccc(C[C@@H](C)N=c2[nH]ncs2)c(C)c1 ZINC000450328498 202129540 /nfs/dbraw/zinc/12/95/40/202129540.db2.gz OPONSWKUSFEZSE-LLVKDONJSA-N 0 2 247.367 2.620 20 0 BFADLN CCCC[C@H]1CCC[C@H]1N=c1[nH]ncs1 ZINC000450309988 202124774 /nfs/dbraw/zinc/12/47/74/202124774.db2.gz VXHNTJBZYXXCGK-VHSXEESVSA-N 0 2 225.361 2.731 20 0 BFADLN CCC[C@H](Cc1ccccc1)N=c1[nH]ncs1 ZINC000450306539 202125528 /nfs/dbraw/zinc/12/55/28/202125528.db2.gz CYCWNQFKLAHWDP-GFCCVEGCSA-N 0 2 247.367 2.783 20 0 BFADLN C[C@@H](CC1CCCCC1)N=c1[nH]ncs1 ZINC000450483863 202179126 /nfs/dbraw/zinc/17/91/26/202179126.db2.gz JOWBZBPRMMHLCX-VIFPVBQESA-N 0 2 225.361 2.731 20 0 BFADLN CC(C)(C)CN=c1[nH]nc(C(C)(C)C)s1 ZINC000389854104 357055066 /nfs/dbraw/zinc/05/50/66/357055066.db2.gz ACKZFDPWBJXXLU-UHFFFAOYSA-N 0 2 227.377 2.716 20 0 BFADLN CC(C)=CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000191630183 357780417 /nfs/dbraw/zinc/78/04/17/357780417.db2.gz LFFSLQYFJLOTRG-UHFFFAOYSA-N 0 2 229.327 2.699 20 0 BFADLN C/C=C\C[C@@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495145 359696669 /nfs/dbraw/zinc/69/66/69/359696669.db2.gz JLXXYPFNNSPMMC-ZRUQZJFASA-N 0 2 247.386 2.907 20 0 BFADLN Cc1cccc(CSCc2cnn[nH]2)c1 ZINC000451032833 202333332 /nfs/dbraw/zinc/33/33/32/202333332.db2.gz VPVGITVTEUCORW-UHFFFAOYSA-N 0 2 219.313 2.547 20 0 BFADLN CC(C)c1ccc(SCc2n[nH]c(=O)[nH]2)cc1 ZINC000092870225 360204549 /nfs/dbraw/zinc/20/45/49/360204549.db2.gz JZKBRYCIYUYAIS-UHFFFAOYSA-N 0 2 249.339 2.514 20 0 BFADLN CC(C)(C)Cn1[nH]c2c(c1=O)CCCCC2 ZINC000614185628 363749050 /nfs/dbraw/zinc/74/90/50/363749050.db2.gz QVAJWVTXCIZUNA-JTQLQIEISA-N 0 2 222.332 2.811 20 0 BFADLN C[C@]1(CNc2ccc(C(=O)[O-])c[nH+]2)C[C@H]2C[C@H]2C1 ZINC000629769289 361692176 /nfs/dbraw/zinc/69/21/76/361692176.db2.gz GHKHYZBMQJPIJA-YABSGUDNSA-N 0 2 246.310 2.628 20 0 BFADLN O=C([O-])c1ccc(NC[C@H]2CCCC23CC3)[nH+]c1 ZINC000629769863 361692482 /nfs/dbraw/zinc/69/24/82/361692482.db2.gz BJPGFUZSUCSZEL-LLVKDONJSA-N 0 2 246.310 2.772 20 0 BFADLN O=C([O-])c1cccc(NC[C@@H]2CCCC23CC3)[nH+]1 ZINC000629770435 361694581 /nfs/dbraw/zinc/69/45/81/361694581.db2.gz TZTARUHQBBBPGF-JTQLQIEISA-N 0 2 246.310 2.772 20 0 BFADLN CC(C)(C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184225855 367070708 /nfs/dbraw/zinc/07/07/08/367070708.db2.gz AVBLVYICVXCWOD-UHFFFAOYSA-N 0 2 245.681 2.713 20 0 BFADLN O=C([O-])c1c(-c2cccs2)[nH+]c2n1CCCC2 ZINC000084079696 368847771 /nfs/dbraw/zinc/84/77/71/368847771.db2.gz MPMUMVCVTYXACA-UHFFFAOYSA-N 0 2 248.307 2.646 20 0 BFADLN O=C([O-])CCC[N@H+](CC1CC1)c1ccccc1 ZINC000037595653 383987396 /nfs/dbraw/zinc/98/73/96/383987396.db2.gz RXRRHLPYIIXLKO-UHFFFAOYSA-N 0 2 233.311 2.768 20 0 BFADLN O=C([O-])CCC[N@@H+](CC1CC1)c1ccccc1 ZINC000037595653 383987405 /nfs/dbraw/zinc/98/74/05/383987405.db2.gz RXRRHLPYIIXLKO-UHFFFAOYSA-N 0 2 233.311 2.768 20 0 BFADLN Cc1[nH]ncc1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000113310695 383976864 /nfs/dbraw/zinc/97/68/64/383976864.db2.gz HPJQCZPPACHACW-OAHLLOKOSA-N 0 2 241.338 2.804 20 0 BFADLN CCCC1=NN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000090416938 384048806 /nfs/dbraw/zinc/04/88/06/384048806.db2.gz UZPGUOQHKPIQRY-UHFFFAOYSA-N 0 2 246.310 2.584 20 0 BFADLN Cc1ccc2c(c1)[N@@H+](CCCC(=O)[O-])CCC2 ZINC000116400449 384133297 /nfs/dbraw/zinc/13/32/97/384133297.db2.gz KSGXDYNMSPKDGL-UHFFFAOYSA-N 0 2 233.311 2.612 20 0 BFADLN Cc1ccc2c(c1)[N@H+](CCCC(=O)[O-])CCC2 ZINC000116400449 384133300 /nfs/dbraw/zinc/13/33/00/384133300.db2.gz KSGXDYNMSPKDGL-UHFFFAOYSA-N 0 2 233.311 2.612 20 0 BFADLN Cc1n[nH]c(=NCC2CCC(F)(F)CC2)s1 ZINC000336170808 384934515 /nfs/dbraw/zinc/93/45/15/384934515.db2.gz YGIDBKMKOZOGOJ-UHFFFAOYSA-N 0 2 247.314 2.506 20 0 BFADLN C[C@H]1CCN(c2[nH+]cccc2C(=O)[O-])C[C@H](C)C1 ZINC000647446986 385035363 /nfs/dbraw/zinc/03/53/63/385035363.db2.gz CSBXFFAGZDFJRN-WDEREUQCSA-N 0 2 248.326 2.652 20 0 BFADLN CCC[C@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647451656 385037324 /nfs/dbraw/zinc/03/73/24/385037324.db2.gz CPVAHIZEOWRNAN-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN CC(C)[C@H]1CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000647453439 385040589 /nfs/dbraw/zinc/04/05/89/385040589.db2.gz HDEFUCVRJMMGGG-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@@H]2CC[C@@H](C)C2)s1 ZINC000336679475 385621724 /nfs/dbraw/zinc/62/17/24/385621724.db2.gz AKMNEPNPPQMZBW-NXEZZACHSA-N 0 2 239.388 2.932 20 0 BFADLN C[C@H](CN=c1[nH]nc(C2CC2)s1)CC(F)F ZINC000645305007 386167597 /nfs/dbraw/zinc/16/75/97/386167597.db2.gz NXUMYTKRVGRAAB-LURJTMIESA-N 0 2 247.314 2.541 20 0 BFADLN CCN(CC)C(=O)c1cc(F)cc(Cl)c1O ZINC000267099958 386495199 /nfs/dbraw/zinc/49/51/99/386495199.db2.gz XMQRCEJXQQSANQ-UHFFFAOYSA-N 0 2 245.681 2.667 20 0 BFADLN Cc1ccccc1CCCSc1n[nH]c(=O)[nH]1 ZINC000187640647 387210701 /nfs/dbraw/zinc/21/07/01/387210701.db2.gz FPZIJQCNURTOMD-UHFFFAOYSA-N 0 2 249.339 2.544 20 0 BFADLN Cc1[nH]ncc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000353971608 387304277 /nfs/dbraw/zinc/30/42/77/387304277.db2.gz LEJPKTVJZINWTE-HNNXBMFYSA-N 0 2 241.338 2.535 20 0 BFADLN CC(C)c1nsc(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000572342711 387337153 /nfs/dbraw/zinc/33/71/53/387337153.db2.gz PDZZQDXWOWYHAT-UTLUCORTSA-N 0 2 237.372 2.684 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000572342710 387337728 /nfs/dbraw/zinc/33/77/28/387337728.db2.gz PDZZQDXWOWYHAT-KXUCPTDWSA-N 0 2 237.372 2.684 20 0 BFADLN Cc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)o1 ZINC000121200037 387575582 /nfs/dbraw/zinc/57/55/82/387575582.db2.gz MCVVLHAQPQKGTR-LBPRGKRZSA-N 0 2 245.326 2.691 20 0 BFADLN CCC(F)(F)C(C)(C)CN=c1[nH]nc(C)s1 ZINC000528183435 387872958 /nfs/dbraw/zinc/87/29/58/387872958.db2.gz ZSTRQJKCYNMXNO-UHFFFAOYSA-N 0 2 249.330 2.752 20 0 BFADLN CCCCCNC(=O)c1c(O)cc(F)cc1F ZINC000066041536 388680764 /nfs/dbraw/zinc/68/07/64/388680764.db2.gz RHGAILUXGVVGBC-UHFFFAOYSA-N 0 2 243.253 2.590 20 0 BFADLN CC[C@@H]1CCCCN1c1cccc(C(=O)[O-])[nH+]1 ZINC000051042590 132228791 /nfs/dbraw/zinc/22/87/91/132228791.db2.gz NOORHBLFPWBRLE-SNVBAGLBSA-N 0 2 234.299 2.549 20 0 BFADLN C[C@@H]([NH2+]c1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000057537119 132365781 /nfs/dbraw/zinc/36/57/81/132365781.db2.gz GSUBSLOIJFFMIS-LLVKDONJSA-N 0 2 248.326 2.562 20 0 BFADLN Fc1ccc2c(c1)CCC[C@@H]2N=c1[nH]ncs1 ZINC000336195409 134125665 /nfs/dbraw/zinc/12/56/65/134125665.db2.gz NSTJBWITDUZTPK-NSHDSACASA-N 0 2 249.314 2.589 20 0 BFADLN CC(C)C[C@@H]1CCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263305967 135345932 /nfs/dbraw/zinc/34/59/32/135345932.db2.gz FCYRDHZZGSFECS-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN C[C@@H]1CCN(c2cccc(C(=O)[O-])[nH+]2)CC1(C)C ZINC000263444925 135355570 /nfs/dbraw/zinc/35/55/70/135355570.db2.gz YHTYHMIPFLLHTE-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@H]1CCN(c2cccc(C(=O)[O-])[nH+]2)C[C@@H](C)C1 ZINC000263531752 135357815 /nfs/dbraw/zinc/35/78/15/135357815.db2.gz WXBVWCSNCMEVGG-QWRGUYRKSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@@H]1CC[C@H]1NC(=O)c1cccc2cnccc21 ZINC000334354277 135370347 /nfs/dbraw/zinc/37/03/47/135370347.db2.gz ZGHBYJNOMRCIRC-QMTHXVAHSA-N 0 2 240.306 2.763 20 0 BFADLN Cc1cccc2[nH]cc(CC(=O)NC3CCC3)c21 ZINC000334353990 135370392 /nfs/dbraw/zinc/37/03/92/135370392.db2.gz JECOFXTXOXDISV-UHFFFAOYSA-N 0 2 242.322 2.688 20 0 BFADLN CCC1=NN(c2ccc(CC)cc2)C(=O)[C@H]1C ZINC000307981324 397976733 /nfs/dbraw/zinc/97/67/33/397976733.db2.gz CZXMARGTQBGMDN-JTQLQIEISA-N 0 2 230.311 2.998 20 0 BFADLN CCCC(C)(C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000649839763 398135063 /nfs/dbraw/zinc/13/50/63/398135063.db2.gz URXRXHDUNXKQMX-UHFFFAOYSA-N 0 2 246.314 2.723 20 0 BFADLN CCC1(CC)CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000094803878 487559156 /nfs/dbraw/zinc/55/91/56/487559156.db2.gz VJEWSWDUFSIUHQ-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN CC(C)SCCN=c1[nH]nc(C(C)C)s1 ZINC000336763339 167329414 /nfs/dbraw/zinc/32/94/14/167329414.db2.gz PBHDROXJPUDCDR-UHFFFAOYSA-N 0 2 245.417 2.637 20 0 BFADLN C[C@@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1(C)C ZINC000650768011 410416338 /nfs/dbraw/zinc/41/63/38/410416338.db2.gz LNLZEKHWDFLDJZ-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN CCCC1=NN(Cc2ccc(C)cc2)C(=O)C1 ZINC000101994416 410812388 /nfs/dbraw/zinc/81/23/88/410812388.db2.gz AEIBNDAITPRNJO-UHFFFAOYSA-N 0 2 230.311 2.883 20 0 BFADLN CC1=NN(c2cc(C)ccc2C)C(=O)[C@H]1C ZINC000103294651 410889858 /nfs/dbraw/zinc/88/98/58/410889858.db2.gz NOEMYYRYLCFFKR-JTQLQIEISA-N 0 2 216.284 2.662 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@H]2CC[C@@H](C)C2)s1 ZINC000336679490 167655927 /nfs/dbraw/zinc/65/59/27/167655927.db2.gz AKMNEPNPPQMZBW-ZJUUUORDSA-N 0 2 239.388 2.932 20 0 BFADLN CCC1=NN(c2ccccc2C)C(=O)[C@@H]1C ZINC000110454729 411098258 /nfs/dbraw/zinc/09/82/58/411098258.db2.gz DONPDYQVRLRXBK-SNVBAGLBSA-N 0 2 216.284 2.744 20 0 BFADLN CCC1=NN(c2cccc(F)c2)C(=O)[C@H]1C ZINC000110454870 411098500 /nfs/dbraw/zinc/09/85/00/411098500.db2.gz XRNNUSFOJNJLMB-QMMMGPOBSA-N 0 2 220.247 2.574 20 0 BFADLN CCC1=NN(c2ccccc2C)C(=O)[C@H]1C ZINC000110454732 411099078 /nfs/dbraw/zinc/09/90/78/411099078.db2.gz DONPDYQVRLRXBK-JTQLQIEISA-N 0 2 216.284 2.744 20 0 BFADLN CCC(CC)NC(=O)c1c(O)cc(F)cc1F ZINC000049446522 411233303 /nfs/dbraw/zinc/23/33/03/411233303.db2.gz GOPXZBGGDKRGTD-UHFFFAOYSA-N 0 2 243.253 2.589 20 0 BFADLN CC[C@@H]1CC[C@H](C)N(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000310761723 411283264 /nfs/dbraw/zinc/28/32/64/411283264.db2.gz PNOQPSOQTYLDGC-WDEREUQCSA-N 0 2 248.326 2.795 20 0 BFADLN CCC[C@H](CC)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000050406317 411260849 /nfs/dbraw/zinc/26/08/49/411260849.db2.gz WQKPKJXKZHQNFZ-VIFPVBQESA-N 0 2 222.288 2.770 20 0 BFADLN CC1CC([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)C1 ZINC000330270769 168148489 /nfs/dbraw/zinc/14/84/89/168148489.db2.gz UUKZZRXUBNGPBI-GDKBPFBDSA-N 0 2 248.374 2.814 20 0 BFADLN CC1C[C@H]2CC[C@@H](C1)N2c1[nH+]cccc1C(=O)[O-] ZINC000662898435 412338964 /nfs/dbraw/zinc/33/89/64/412338964.db2.gz MVLVXXFTGRMDNE-FGWVZKOKSA-N 0 2 246.310 2.547 20 0 BFADLN C[C@@H]1CCCC[C@@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000019845096 176081956 /nfs/dbraw/zinc/08/19/56/176081956.db2.gz YYGIJQKCONGPJR-KOLCDFICSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@@H]1CCC[C@@H](Nc2[nH+]cccc2C(=O)[O-])C1 ZINC000037251628 176124848 /nfs/dbraw/zinc/12/48/48/176124848.db2.gz SNORPGAFKRUYSI-NXEZZACHSA-N 0 2 234.299 2.770 20 0 BFADLN Cc1nn(C)c(C)c1Nc1nc(C2CC2)ns1 ZINC000676303777 487834932 /nfs/dbraw/zinc/83/49/32/487834932.db2.gz CIIVJBGWOQMTMH-UHFFFAOYSA-N 0 2 249.343 2.509 20 0 BFADLN O=C([O-])c1cc(NC[C@H]2CC=CCC2)cc[nH+]1 ZINC000045647756 487848417 /nfs/dbraw/zinc/84/84/17/487848417.db2.gz ZBLHFMRCQNKNCR-JTQLQIEISA-N 0 2 232.283 2.548 20 0 BFADLN CC(C)CCCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000062098209 487863969 /nfs/dbraw/zinc/86/39/69/487863969.db2.gz LTUSOXSSLWESQR-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN C[C@@H]1CC[N@H+](Cc2c[nH+]c[nH]2)[C@@H]2CCCC[C@H]12 ZINC000684617712 487946299 /nfs/dbraw/zinc/94/62/99/487946299.db2.gz WBMPXOWRTTWLIB-MRVWCRGKSA-N 0 2 233.359 2.810 20 0 BFADLN C[C@@H]1CC[N@@H+](Cc2c[nH+]c[nH]2)[C@@H]2CCCC[C@H]12 ZINC000684617712 487946301 /nfs/dbraw/zinc/94/63/01/487946301.db2.gz WBMPXOWRTTWLIB-MRVWCRGKSA-N 0 2 233.359 2.810 20 0 BFADLN CC(C)(C)c1nc(=N[C@@H]2CCC(C)(C)C2)[nH]o1 ZINC000545347070 325215434 /nfs/dbraw/zinc/21/54/34/325215434.db2.gz JIVCTYXMONNCHD-SECBINFHSA-N 0 2 237.347 2.780 20 0 BFADLN Cc1[nH+]cc(C[N@H+]2CCC[C@H](CC(C)C)C2)n1C ZINC000667675065 488083362 /nfs/dbraw/zinc/08/33/62/488083362.db2.gz YULDMKQVKKAQOT-CQSZACIVSA-N 0 2 249.402 2.987 20 0 BFADLN CC(C)[C@@H](Nc1cccc(C(=O)[O-])[nH+]1)C1CC1 ZINC000324013942 487490164 /nfs/dbraw/zinc/49/01/64/487490164.db2.gz JXFYPFBYCCKDSY-GFCCVEGCSA-N 0 2 234.299 2.626 20 0 BFADLN Cc1cccc2c1CCC[N@@H+]2CCCC(=O)[O-] ZINC000680018866 487519090 /nfs/dbraw/zinc/51/90/90/487519090.db2.gz PEJZRRBAYCKOEB-UHFFFAOYSA-N 0 2 233.311 2.612 20 0 BFADLN Cc1cccc2c1CCC[N@H+]2CCCC(=O)[O-] ZINC000680018866 487519095 /nfs/dbraw/zinc/51/90/95/487519095.db2.gz PEJZRRBAYCKOEB-UHFFFAOYSA-N 0 2 233.311 2.612 20 0 BFADLN CC(C)C[C@H](C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000037265459 488246933 /nfs/dbraw/zinc/24/69/33/488246933.db2.gz YNYYTRVFYNNITF-VIFPVBQESA-N 0 2 222.288 2.626 20 0 BFADLN CCc1ccc[nH+]c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679151987 488313824 /nfs/dbraw/zinc/31/38/24/488313824.db2.gz WYRVVUPLQTXSED-WCQYABFASA-N 0 2 233.359 2.539 20 0 BFADLN C[C@@H]1C[C@H]1CNc1nc(-c2ccccc2)ns1 ZINC000475355575 534024116 /nfs/dbraw/zinc/02/41/16/534024116.db2.gz PRGAXGXLAKSDLY-KOLCDFICSA-N 0 2 245.351 2.695 20 0 BFADLN CCC(C)(C)[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000855368789 588829646 /nfs/dbraw/zinc/82/96/46/588829646.db2.gz VGCHVSDOIWQICK-BQBZGAKWSA-N 0 2 243.244 2.828 20 0 BFADLN CCC(C)(C)[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000855368789 588829647 /nfs/dbraw/zinc/82/96/47/588829647.db2.gz VGCHVSDOIWQICK-BQBZGAKWSA-N 0 2 243.244 2.828 20 0 BFADLN CCC1=C(C(=O)NOc2ccccc2)CCCO1 ZINC000854537188 583088130 /nfs/dbraw/zinc/08/81/30/583088130.db2.gz POYHEWURKKZYPU-UHFFFAOYSA-N 0 2 247.294 2.571 20 0 BFADLN CC(C)OCCON=c1[nH]c(Cl)cs1 ZINC000858552981 588965246 /nfs/dbraw/zinc/96/52/46/588965246.db2.gz KWUFGOABSRBXPW-UHFFFAOYSA-N 0 2 236.724 2.565 20 0 BFADLN CCC1=NN(c2cc(F)ccc2F)C(=O)[C@H]1C ZINC000899362623 584207522 /nfs/dbraw/zinc/20/75/22/584207522.db2.gz YNQSRCVKUFLSEB-ZETCQYMHSA-N 0 2 238.237 2.714 20 0 BFADLN CC[C@@H](CNc1[nH+]ccc(C)c1Cl)C(=O)[O-] ZINC000900977169 584370292 /nfs/dbraw/zinc/37/02/92/584370292.db2.gz VJYDHILESQGVNO-QMMMGPOBSA-N 0 2 242.706 2.566 20 0 BFADLN Cc1ccc([NH2+]C[C@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000901718654 584483683 /nfs/dbraw/zinc/48/36/83/584483683.db2.gz VTZJBJMAEHCEEG-VHSXEESVSA-N 0 2 219.284 2.761 20 0 BFADLN CCOc1ccc([NH2+]C2CC(C)(C(=O)[O-])C2)cc1 ZINC000902051907 584517636 /nfs/dbraw/zinc/51/76/36/584517636.db2.gz RFWMYDLKSSEGQR-UHFFFAOYSA-N 0 2 249.310 2.751 20 0 BFADLN CC[NH+]1CCC(Nc2cccc(C3CC3)[nH+]2)CC1 ZINC000903267257 584741650 /nfs/dbraw/zinc/74/16/50/584741650.db2.gz CHLAHFCLJPPDEX-UHFFFAOYSA-N 0 2 245.370 2.855 20 0 BFADLN CCCN(CCC)C(=O)[C@H](F)C(F)(F)F ZINC000763899160 585456692 /nfs/dbraw/zinc/45/66/92/585456692.db2.gz OFPQOCKQXKUDJN-ZETCQYMHSA-N 0 2 229.217 2.535 20 0 BFADLN CCCN(CCC)C(=O)C(F)C(F)(F)F ZINC000763899160 585456693 /nfs/dbraw/zinc/45/66/93/585456693.db2.gz OFPQOCKQXKUDJN-ZETCQYMHSA-N 0 2 229.217 2.535 20 0 BFADLN CCCN(CC1CC1)C(=O)[C@@H](F)C(F)(F)F ZINC000763920437 585457056 /nfs/dbraw/zinc/45/70/56/585457056.db2.gz ACDYWFRQIWNVMU-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CCCN(CC1CC1)C(=O)C(F)C(F)(F)F ZINC000763920437 585457057 /nfs/dbraw/zinc/45/70/57/585457057.db2.gz ACDYWFRQIWNVMU-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CN(CC1CCCC1)C(=O)[C@@H](F)C(F)(F)F ZINC000764466182 585465885 /nfs/dbraw/zinc/46/58/85/585465885.db2.gz VRFMPCWQKSLJAX-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CN(CC1CCCC1)C(=O)C(F)C(F)(F)F ZINC000764466182 585465886 /nfs/dbraw/zinc/46/58/86/585465886.db2.gz VRFMPCWQKSLJAX-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@H](C)NC(=O)c1cccc(Cl)c1O ZINC000775631227 585681885 /nfs/dbraw/zinc/68/18/85/585681885.db2.gz RRAGHGNQPINBEI-ZETCQYMHSA-N 0 2 227.691 2.574 20 0 BFADLN O=C(NCCC1CC1)c1cccc(Cl)c1O ZINC000775760055 585684312 /nfs/dbraw/zinc/68/43/12/585684312.db2.gz VPTGXESBTIRQLN-UHFFFAOYSA-N 0 2 239.702 2.576 20 0 BFADLN CC(C)SCC(=O)NOC1CCCCC1 ZINC000777961416 585724166 /nfs/dbraw/zinc/72/41/66/585724166.db2.gz HUFMWEGRTVTJAH-UHFFFAOYSA-N 0 2 231.361 2.509 20 0 BFADLN C[C@@H](C(=O)NOC1CCCCC1)c1ccco1 ZINC000777960146 585724501 /nfs/dbraw/zinc/72/45/01/585724501.db2.gz ROIQLUPFQSFOIA-SNVBAGLBSA-N 0 2 237.299 2.764 20 0 BFADLN CCS[C@H](C(=O)NOC[C@@H](C)CC)C(C)C ZINC000794841070 586050291 /nfs/dbraw/zinc/05/02/91/586050291.db2.gz CJSMIOPHXUMPSM-QWRGUYRKSA-N 0 2 247.404 2.858 20 0 BFADLN CC[C@H](C)CONC(=O)[C@H](C)c1ccc(C)o1 ZINC000794843574 586050224 /nfs/dbraw/zinc/05/02/24/586050224.db2.gz SCMHQCPCDCFAIG-GXSJLCMTSA-N 0 2 239.315 2.785 20 0 BFADLN CC(C)[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000810203476 586536994 /nfs/dbraw/zinc/53/69/94/586536994.db2.gz ADUXBZGLZAMYRC-HTQZYQBOSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000810203476 586536996 /nfs/dbraw/zinc/53/69/96/586536996.db2.gz ADUXBZGLZAMYRC-HTQZYQBOSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H]1CCCCCN1C(=O)[C@H](F)C(F)(F)F ZINC000810405310 586538798 /nfs/dbraw/zinc/53/87/98/586538798.db2.gz UYVZWFVUZIBMPK-YUMQZZPRSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@H]1CCCCCN1C(=O)C(F)C(F)(F)F ZINC000810405310 586538799 /nfs/dbraw/zinc/53/87/99/586538799.db2.gz UYVZWFVUZIBMPK-YUMQZZPRSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC000810436850 586539129 /nfs/dbraw/zinc/53/91/29/586539129.db2.gz NJAGTQPEXSMFEK-CSMHCCOUSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC000810436850 586539130 /nfs/dbraw/zinc/53/91/30/586539130.db2.gz NJAGTQPEXSMFEK-CSMHCCOUSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@H](C)CN(CC)C(=O)[C@H](F)C(F)(F)F ZINC000810475319 586539694 /nfs/dbraw/zinc/53/96/94/586539694.db2.gz JIPRCBKDSLTUKH-YUMQZZPRSA-N 0 2 243.244 2.781 20 0 BFADLN CC[C@H](C)CN(CC)C(=O)C(F)C(F)(F)F ZINC000810475319 586539695 /nfs/dbraw/zinc/53/96/95/586539695.db2.gz JIPRCBKDSLTUKH-YUMQZZPRSA-N 0 2 243.244 2.781 20 0 BFADLN CCN(CC(C)(C)C)C(=O)[C@H](F)C(F)(F)F ZINC000812756118 586583720 /nfs/dbraw/zinc/58/37/20/586583720.db2.gz PKGQVYHBPOODGT-ZETCQYMHSA-N 0 2 243.244 2.781 20 0 BFADLN CCN(CC(C)(C)C)C(=O)C(F)C(F)(F)F ZINC000812756118 586583721 /nfs/dbraw/zinc/58/37/21/586583721.db2.gz PKGQVYHBPOODGT-ZETCQYMHSA-N 0 2 243.244 2.781 20 0 BFADLN CCC[C@H](C(=O)NOC1CCC1)c1ccccn1 ZINC000812794814 586585883 /nfs/dbraw/zinc/58/58/83/586585883.db2.gz QGTKUBNDXVYKQX-LBPRGKRZSA-N 0 2 248.326 2.566 20 0 BFADLN CC(C)N(CC1CC1)C(=O)[C@@H](F)C(F)(F)F ZINC000815003120 586664127 /nfs/dbraw/zinc/66/41/27/586664127.db2.gz FXLVWGCPTPNZEJ-MRVPVSSYSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)N(CC1CC1)C(=O)C(F)C(F)(F)F ZINC000815003120 586664129 /nfs/dbraw/zinc/66/41/29/586664129.db2.gz FXLVWGCPTPNZEJ-MRVPVSSYSA-N 0 2 241.228 2.534 20 0 BFADLN CCC1(CC)CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000818119808 586876385 /nfs/dbraw/zinc/87/63/85/586876385.db2.gz NTOYSIIDRIOMME-ZETCQYMHSA-N 0 2 241.228 2.535 20 0 BFADLN CCC1(CC)CN(C(=O)C(F)C(F)(F)F)C1 ZINC000818119808 586876387 /nfs/dbraw/zinc/87/63/87/586876387.db2.gz NTOYSIIDRIOMME-ZETCQYMHSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1CN(C(=O)c2cccc(Cl)c2O)[C@@H]1C ZINC000818466334 586892103 /nfs/dbraw/zinc/89/21/03/586892103.db2.gz KDAFOJGUSZKGSS-HTQZYQBOSA-N 0 2 239.702 2.526 20 0 BFADLN CCC[C@@H](CC)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000820642097 587061329 /nfs/dbraw/zinc/06/13/29/587061329.db2.gz NQPYAYMZLZIDAZ-SECBINFHSA-N 0 2 246.314 2.723 20 0 BFADLN CC1(C(=O)NOc2ccccc2F)CC=CC1 ZINC000828984739 587477461 /nfs/dbraw/zinc/47/74/61/587477461.db2.gz HKVNJHYZCIGLQG-UHFFFAOYSA-N 0 2 235.258 2.592 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1cc(C)cc(C)c1 ZINC000832877724 587694096 /nfs/dbraw/zinc/69/40/96/587694096.db2.gz XHKZJPFOVLPMQH-UHFFFAOYSA-N 0 2 244.294 2.555 20 0 BFADLN Cc1cc(OCC(=O)[O-])ccc1[NH2+]CC(C)C ZINC000832902414 587694627 /nfs/dbraw/zinc/69/46/27/587694627.db2.gz UUNYWTYXUPHNBW-UHFFFAOYSA-N 0 2 237.299 2.526 20 0 BFADLN CC(C)[N@H+](CC(=O)[O-])Cc1cscc1Cl ZINC000833496739 587717679 /nfs/dbraw/zinc/71/76/79/587717679.db2.gz NAQUDERYVHHLOE-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN CC(C)[N@@H+](CC(=O)[O-])Cc1cscc1Cl ZINC000833496739 587717680 /nfs/dbraw/zinc/71/76/80/587717680.db2.gz NAQUDERYVHHLOE-UHFFFAOYSA-N 0 2 247.747 2.697 20 0 BFADLN CCCONC(=O)C1(c2ccc(C)cc2)CCC1 ZINC000844090546 588166869 /nfs/dbraw/zinc/16/68/69/588166869.db2.gz WAILLFUCLQGMGW-UHFFFAOYSA-N 0 2 247.338 2.875 20 0 BFADLN Cc1ccnc(N2N=C(CCC(C)C)CC2=O)c1 ZINC000871949236 589839791 /nfs/dbraw/zinc/83/97/91/589839791.db2.gz SQSFIZZMYUAJRW-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN Cc1ccnc(-n2[nH]c(CCC(C)C)cc2=O)c1 ZINC000871949236 589839794 /nfs/dbraw/zinc/83/97/94/589839794.db2.gz SQSFIZZMYUAJRW-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN CCCC1=NN(c2cccc(Cl)n2)C(=O)C1 ZINC000871950993 589840486 /nfs/dbraw/zinc/84/04/86/589840486.db2.gz MPWPCTPDTIMLOI-UHFFFAOYSA-N 0 2 237.690 2.628 20 0 BFADLN CCCc1cc(=O)n(-c2cccc(Cl)n2)[nH]1 ZINC000871950993 589840489 /nfs/dbraw/zinc/84/04/89/589840489.db2.gz MPWPCTPDTIMLOI-UHFFFAOYSA-N 0 2 237.690 2.628 20 0 BFADLN CCCCC1=NN(c2cccc(F)n2)C(=O)[C@@H]1C ZINC000871952955 589840970 /nfs/dbraw/zinc/84/09/70/589840970.db2.gz WIIIQZRGMGKDRM-SECBINFHSA-N 0 2 249.289 2.750 20 0 BFADLN CC1(C)CC[C@H](Nc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000129656165 591348011 /nfs/dbraw/zinc/34/80/11/591348011.db2.gz GCPAGTZTICPLDA-VIFPVBQESA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1CCC[C@H](COc2ccc[nH+]c2C(=O)[O-])C1 ZINC000302429001 592547310 /nfs/dbraw/zinc/54/73/10/592547310.db2.gz VBFQTWRDGOUWOC-QWRGUYRKSA-N 0 2 249.310 2.985 20 0 BFADLN Cc1ccc([C@@H](C)NC(=O)C(F)(F)F)cc1F ZINC000094929732 635396138 /nfs/dbraw/zinc/39/61/38/635396138.db2.gz DJHSRSDGHKRTDH-SSDOTTSWSA-N 0 2 249.207 2.874 20 0 BFADLN C[C@H]1C[C@H]1c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000725887470 633872704 /nfs/dbraw/zinc/87/27/04/633872704.db2.gz OWJSBHQEDQAGOB-POYBYMJQSA-N 0 2 247.216 2.582 20 0 BFADLN CCN(CC)C(=O)c1cccc(Cl)c1O ZINC000168543505 640813355 /nfs/dbraw/zinc/81/33/55/640813355.db2.gz CCFFJSLLMWTZHY-UHFFFAOYSA-N 0 2 227.691 2.528 20 0 BFADLN CC[C@@H]1[C@@H](C)CCN1C(=O)C(F)C(F)(F)F ZINC000811185835 644912085 /nfs/dbraw/zinc/91/20/85/644912085.db2.gz USWZACGJJTYTSL-XLPZGREQSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](F)C(F)(F)F ZINC000811185835 644912091 /nfs/dbraw/zinc/91/20/91/644912091.db2.gz USWZACGJJTYTSL-XLPZGREQSA-N 0 2 241.228 2.534 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@@H](C)C(C)(C)C ZINC001600685486 978720101 /nfs/dbraw/zinc/72/01/01/978720101.db2.gz NSWLDXVFAKBBCK-MRVPVSSYSA-N 0 2 224.304 2.572 20 0 BFADLN CSc1ccnc(-c2cc(F)ccc2O)n1 ZINC001240693378 981598968 /nfs/dbraw/zinc/59/89/68/981598968.db2.gz PUFIOHGAAPOANN-UHFFFAOYSA-N 0 2 236.271 2.710 20 0 BFADLN CCn1nccc1-c1cccc(S)c1 ZINC001240699769 981629471 /nfs/dbraw/zinc/62/94/71/981629471.db2.gz MVWGYGXUMPQING-UHFFFAOYSA-N 0 2 204.298 2.859 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001243502276 970781715 /nfs/dbraw/zinc/78/17/15/970781715.db2.gz JOFODTBTRPXCPN-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001243502276 970781722 /nfs/dbraw/zinc/78/17/22/970781722.db2.gz JOFODTBTRPXCPN-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN COc1ccc(-c2cc(=O)n(CC3CC3)[nH]2)cc1 ZINC001245919884 972098760 /nfs/dbraw/zinc/09/87/60/972098760.db2.gz LYAZDDRUVZLWTD-UHFFFAOYSA-N 0 2 244.294 2.674 20 0 BFADLN CC1=NN(CCc2ccc(Cl)cc2)C(=O)C1 ZINC001245928013 972100075 /nfs/dbraw/zinc/10/00/75/972100075.db2.gz ICKPQENEXCSWOA-UHFFFAOYSA-N 0 2 236.702 2.793 20 0 BFADLN FC(F)(F)c1cnc(Nc2nccs2)nc1 ZINC001210987125 957972488 /nfs/dbraw/zinc/97/24/88/957972488.db2.gz JZRWUVYQDPMDSB-UHFFFAOYSA-N 0 2 246.217 2.696 20 0 BFADLN O=C([O-])c1ccc(NCC(C2CC2)C2CC2)[nH+]c1 ZINC000088459302 958060063 /nfs/dbraw/zinc/06/00/63/958060063.db2.gz ODVTWIBWCDPRIP-UHFFFAOYSA-N 0 2 246.310 2.628 20 0 BFADLN COc1c(F)c(Cl)ccc1Nc1nnco1 ZINC001250189538 967500007 /nfs/dbraw/zinc/50/00/07/967500007.db2.gz IEAJZOVFSYINOX-UHFFFAOYSA-N 0 2 243.625 2.614 20 0 BFADLN Oc1c(Cl)cccc1-c1cnccn1 ZINC001250442715 967866440 /nfs/dbraw/zinc/86/64/40/967866440.db2.gz MWDUITJYLRGXKP-UHFFFAOYSA-N 0 2 206.632 2.503 20 0 BFADLN Oc1ccc(Cl)cc1-c1ncc(F)cn1 ZINC001250477776 967916442 /nfs/dbraw/zinc/91/64/42/967916442.db2.gz RQNJLGNCGFYXLY-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Cc1c2[nH]c(-c3ccc(O)cn3)nc2ccc1F ZINC001250998640 968240656 /nfs/dbraw/zinc/24/06/56/968240656.db2.gz BHEUJSODAAZGQD-UHFFFAOYSA-N 0 2 243.241 2.778 20 0 BFADLN CN(C)c1cncc(-c2cccc(Cl)c2O)n1 ZINC001242362595 969903323 /nfs/dbraw/zinc/90/33/23/969903323.db2.gz JXFNXAMVIJCKRX-UHFFFAOYSA-N 0 2 249.701 2.569 20 0 BFADLN CCOc1cncc(Nc2nnc(C(C)C)o2)c1 ZINC001210659561 969994409 /nfs/dbraw/zinc/99/44/09/969994409.db2.gz MHDMRMFHEZTOEL-UHFFFAOYSA-N 0 2 248.286 2.730 20 0 BFADLN C[C@@H]1CCN(Cc2c(F)cc(O)cc2F)C1 ZINC001144545139 972856972 /nfs/dbraw/zinc/85/69/72/972856972.db2.gz TUMJWFACZYEUSO-MRVPVSSYSA-N 0 2 227.254 2.512 20 0 BFADLN CC(C)C[C@@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225560921 974553365 /nfs/dbraw/zinc/55/33/65/974553365.db2.gz XBBXDWVLZPINAH-SSDOTTSWSA-N 0 2 230.695 2.649 20 0 BFADLN CC[C@H](C)[C@@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225563971 974556716 /nfs/dbraw/zinc/55/67/16/974556716.db2.gz VZNAXAMAGYNFOX-NKWVEPMBSA-N 0 2 230.695 2.649 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC001331295031 974674362 /nfs/dbraw/zinc/67/43/62/974674362.db2.gz LSDKPGVZDDPRPI-LURJTMIESA-N 0 2 229.217 2.534 20 0 BFADLN CCN(C(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC001331295031 974674370 /nfs/dbraw/zinc/67/43/70/974674370.db2.gz LSDKPGVZDDPRPI-LURJTMIESA-N 0 2 229.217 2.534 20 0 BFADLN C[C@@H]1CC[C@@H](Oc2nc(=O)[nH]cc2F)C[C@H]1C ZINC001225882896 974714533 /nfs/dbraw/zinc/71/45/33/974714533.db2.gz XHJZDPHOPIKYSB-IWSPIJDZSA-N 0 2 240.278 2.525 20 0 BFADLN CC[C@H](Oc1nc(=O)[nH]cc1F)C(C)(C)C ZINC001225883282 974714977 /nfs/dbraw/zinc/71/49/77/974714977.db2.gz ZQWCEWCXILQBGD-QMMMGPOBSA-N 0 2 228.267 2.525 20 0 BFADLN CC[C@@H](C)CC[C@@H](C)Oc1nc(=O)[nH]cc1F ZINC001225886368 974718139 /nfs/dbraw/zinc/71/81/39/974718139.db2.gz WSBQKLJPMBGODS-RKDXNWHRSA-N 0 2 242.294 2.915 20 0 BFADLN Cc1nc(O[C@H]2CCCC[C@@H]2C)c(F)c(=O)[nH]1 ZINC001226419064 974891169 /nfs/dbraw/zinc/89/11/69/974891169.db2.gz FVENNPDALTUYHA-CBAPKCEASA-N 0 2 240.278 2.587 20 0 BFADLN Cc1nc(O[C@H]2CC[C@H](C)CC2)c(F)c(=O)[nH]1 ZINC001226423597 974894740 /nfs/dbraw/zinc/89/47/40/974894740.db2.gz JUNLHIMVAYSDKN-XWEPSHTISA-N 0 2 240.278 2.587 20 0 BFADLN CC[C@H](Oc1[nH]c(=O)nc2cccnc21)C(C)C ZINC001228004863 975848326 /nfs/dbraw/zinc/84/83/26/975848326.db2.gz NHXXPBLGQAOSRZ-JTQLQIEISA-N 0 2 247.298 2.544 20 0 BFADLN Cc1nn(C)cc1Nc1ccc(S)cc1 ZINC001174335256 976555535 /nfs/dbraw/zinc/55/55/35/976555535.db2.gz AKIHFAPPFAWRRZ-UHFFFAOYSA-N 0 2 219.313 2.761 20 0 BFADLN Cc1cc(S)ccc1OC1CC2(COC2)C1 ZINC001229634440 976918144 /nfs/dbraw/zinc/91/81/44/976918144.db2.gz IWKWRMVQFWBAIH-UHFFFAOYSA-N 0 2 236.336 2.842 20 0 BFADLN Cc1cc(S)ccc1O[C@H]1COC[C@@H]1C ZINC001229633922 976921958 /nfs/dbraw/zinc/92/19/58/976921958.db2.gz CLQIDRWQNLXSRW-CABZTGNLSA-N 0 2 224.325 2.697 20 0 BFADLN CCOc1cccc(F)c1Nc1nnc(C)o1 ZINC001175221322 977332417 /nfs/dbraw/zinc/33/24/17/977332417.db2.gz DKKCYYKRSWSRAM-UHFFFAOYSA-N 0 2 237.234 2.659 20 0 BFADLN CC(=O)N1CC=C(Nc2ccccc2S)CC1 ZINC001176031113 977863780 /nfs/dbraw/zinc/86/37/80/977863780.db2.gz IIHYNDCKIAVJRQ-UHFFFAOYSA-N 0 2 248.351 2.523 20 0 BFADLN Sc1ccc(NC2=CCOCC2)cc1 ZINC001176147061 977933260 /nfs/dbraw/zinc/93/32/60/977933260.db2.gz GCYUHSPSVAYTTP-UHFFFAOYSA-N 0 2 207.298 2.691 20 0 BFADLN O=c1ccc(Nc2ccccc2S)c[nH]1 ZINC001176128715 977969041 /nfs/dbraw/zinc/96/90/41/977969041.db2.gz GUENBSQYMSUKPG-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN CC1(C)CCN(Cc2cc(O)c(F)c(F)c2)C1 ZINC001232972229 978374217 /nfs/dbraw/zinc/37/42/17/978374217.db2.gz XGHXKBYXZYSHQE-UHFFFAOYSA-N 0 2 241.281 2.902 20 0 BFADLN CC1(C)CC[N@H+](Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232972229 978374228 /nfs/dbraw/zinc/37/42/28/978374228.db2.gz XGHXKBYXZYSHQE-UHFFFAOYSA-N 0 2 241.281 2.902 20 0 BFADLN CC1(C)CC[N@@H+](Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232972229 978374241 /nfs/dbraw/zinc/37/42/41/978374241.db2.gz XGHXKBYXZYSHQE-UHFFFAOYSA-N 0 2 241.281 2.902 20 0 BFADLN Cc1ccc(NCCC2(C)CC2)[nH+]c1C(=O)[O-] ZINC001600459616 978695661 /nfs/dbraw/zinc/69/56/61/978695661.db2.gz PXVUCLMQGMGBFZ-UHFFFAOYSA-N 0 2 234.299 2.690 20 0 BFADLN Cc1ccc(NC[C@H](C)C2CC2)[nH+]c1C(=O)[O-] ZINC001600459278 978695953 /nfs/dbraw/zinc/69/59/53/978695953.db2.gz KEGMITTXWBDOCY-VIFPVBQESA-N 0 2 234.299 2.546 20 0 BFADLN Cc1ccc(N[C@@H]2CC=CC[C@H]2C)[nH+]c1C(=O)[O-] ZINC001600463962 978696725 /nfs/dbraw/zinc/69/67/25/978696725.db2.gz IQPXFMIDURXSPV-MWLCHTKSSA-N 0 2 246.310 2.855 20 0 BFADLN Cc1ccc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[nH+]c1C(=O)[O-] ZINC001600463901 978697009 /nfs/dbraw/zinc/69/70/09/978697009.db2.gz ABNXHZWYEJBVHK-CHWFTXMASA-N 0 2 246.310 2.545 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@H]1CC2CCC1CC2 ZINC001600685383 978720859 /nfs/dbraw/zinc/72/08/59/978720859.db2.gz JKTBPKJRWHIIBD-HTAVTVPLSA-N 0 2 248.326 2.716 20 0 BFADLN CCOc1ccnc(-c2c(F)ccc(C)c2O)n1 ZINC001236390021 979575051 /nfs/dbraw/zinc/57/50/51/979575051.db2.gz CIQRAMAJTJWADR-UHFFFAOYSA-N 0 2 248.257 2.695 20 0 BFADLN CCOc1cnc(-c2c(F)ccc(C)c2O)nc1 ZINC001236391480 979576397 /nfs/dbraw/zinc/57/63/97/979576397.db2.gz JFKDCZIAKHVFQT-UHFFFAOYSA-N 0 2 248.257 2.695 20 0 BFADLN Cc1nn(C)cc1-c1ccccc1S ZINC001240300745 981261000 /nfs/dbraw/zinc/26/10/00/981261000.db2.gz UZYPSWOGEOBATG-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN CCC[C@@H](C)N(C)c1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001595577992 981497510 /nfs/dbraw/zinc/49/75/10/981497510.db2.gz DMGMNVOTHTWKOE-SNVBAGLBSA-N 0 2 236.315 2.713 20 0 BFADLN Sc1cccc(-c2cnn([C@@H]3CCOC3)c2)c1 ZINC001240631022 981521446 /nfs/dbraw/zinc/52/14/46/981521446.db2.gz YLIXWQINULRERZ-GFCCVEGCSA-N 0 2 246.335 2.800 20 0 BFADLN Sc1cccc(-c2cnn([C@H]3CCOC3)c2)c1 ZINC001240631023 981522430 /nfs/dbraw/zinc/52/24/30/981522430.db2.gz YLIXWQINULRERZ-LBPRGKRZSA-N 0 2 246.335 2.800 20 0 BFADLN CCc1cnc(-c2cc(F)ccc2O)nc1 ZINC001240694105 981599728 /nfs/dbraw/zinc/59/97/28/981599728.db2.gz METPRJQHCRMTHV-UHFFFAOYSA-N 0 2 218.231 2.551 20 0 BFADLN CC[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1C ZINC001585516765 981929765 /nfs/dbraw/zinc/92/97/65/981929765.db2.gz NFXHWGSQXRZGCS-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)[C@@H]1C ZINC001585516765 981929756 /nfs/dbraw/zinc/92/97/56/981929756.db2.gz NFXHWGSQXRZGCS-BWZBUEFSSA-N 0 2 241.228 2.534 20 0 BFADLN Cc1ccc(-c2cc(C(=O)[O-])ccc2C)[nH+]c1N ZINC001241000230 982081240 /nfs/dbraw/zinc/08/12/40/982081240.db2.gz JBUHWODYJLYKMA-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Cc1cc2cc[nH]c2c(-c2ccc3nn[nH]c3c2)n1 ZINC001241938287 983152787 /nfs/dbraw/zinc/15/27/87/983152787.db2.gz LWGHPKBRXGAFAW-UHFFFAOYSA-N 0 2 249.277 2.810 20 0 BFADLN CC(=O)N1CC=C(c2cccc(S)c2)CC1 ZINC001241968516 983176738 /nfs/dbraw/zinc/17/67/38/983176738.db2.gz OQYNEQYHYTVRAA-UHFFFAOYSA-N 0 2 233.336 2.611 20 0 BFADLN S=c1[n-]c2ccc(-c3[nH]cc[nH+]3)cc2s1 ZINC001242018085 983219060 /nfs/dbraw/zinc/21/90/60/983219060.db2.gz DCDWPYWLWVNMLO-UHFFFAOYSA-N 0 2 233.321 2.975 20 0 BFADLN CCc1ncnc(-c2ccc(F)cc2O)c1F ZINC001242216684 983410753 /nfs/dbraw/zinc/41/07/53/983410753.db2.gz ZVICKHWFUIUEFY-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN Cc1c[nH]c2nc(-c3ccc(F)cc3[O-])[nH+]cc12 ZINC001242215968 983410809 /nfs/dbraw/zinc/41/08/09/983410809.db2.gz LDOPIAWZBCVBDT-UHFFFAOYSA-N 0 2 243.241 2.730 20 0 BFADLN Oc1c(Cl)cccc1-c1ncnc2cc[nH]c21 ZINC001242362553 983654879 /nfs/dbraw/zinc/65/48/79/983654879.db2.gz JGEJXIFRMMVYQM-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1c(Cl)cccc1-c1ncnc2c1COC2 ZINC001242365064 983656042 /nfs/dbraw/zinc/65/60/42/983656042.db2.gz IZKLIVXNEQRREY-UHFFFAOYSA-N 0 2 248.669 2.533 20 0 BFADLN Oc1c(Cl)cccc1-c1cc2c(nn1)CCC2 ZINC001242364766 983657325 /nfs/dbraw/zinc/65/73/25/983657325.db2.gz DVENTVLILUNHJA-UHFFFAOYSA-N 0 2 246.697 2.991 20 0 BFADLN Cc1ncc(-c2ccc(S)cc2)cc1N ZINC001242410357 983717608 /nfs/dbraw/zinc/71/76/08/983717608.db2.gz VURABAQUYXQLEU-UHFFFAOYSA-N 0 2 216.309 2.928 20 0 BFADLN Nc1cnccc1-c1cccc(S)c1 ZINC001242863543 984183934 /nfs/dbraw/zinc/18/39/34/984183934.db2.gz CMWHFTJSKBWXLN-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN Sc1cccc(-c2ncnc3[nH]ccc32)c1 ZINC001242865637 984209956 /nfs/dbraw/zinc/20/99/56/984209956.db2.gz YVLTYMJRKCSDKA-UHFFFAOYSA-N 0 2 227.292 2.865 20 0 BFADLN NC(=O)Cc1ccc(-c2cccc(S)c2)cc1 ZINC001242867154 984212678 /nfs/dbraw/zinc/21/26/78/984212678.db2.gz MBBVRPQGYCBDMZ-UHFFFAOYSA-N 0 2 243.331 2.670 20 0 BFADLN Cn1nnc2cc(-c3cccc(S)c3)ccc21 ZINC001242867590 984214492 /nfs/dbraw/zinc/21/44/92/984214492.db2.gz RLESDFDWQNZXPL-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN CNc1cc(-c2ccc(C(=O)[O-])cc2C)cc[nH+]1 ZINC001243206111 984698726 /nfs/dbraw/zinc/69/87/26/984698726.db2.gz ZBQQJHAALPBTGP-UHFFFAOYSA-N 0 2 242.278 2.797 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(C(=O)[O-])c(C)c1 ZINC001243215390 984705789 /nfs/dbraw/zinc/70/57/89/984705789.db2.gz XXGCRUWVWFXIJY-DDEWIXKASA-N 0 2 217.268 2.569 20 0 BFADLN Nc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)cc[nH+]1 ZINC001243325343 984829969 /nfs/dbraw/zinc/82/99/69/984829969.db2.gz NDYOZKXXMRHKGU-UHFFFAOYSA-N 0 2 248.669 2.682 20 0 BFADLN Oc1ccc(-c2ccc3nn[nH]c3c2)c(F)c1F ZINC001243342161 984832168 /nfs/dbraw/zinc/83/21/68/984832168.db2.gz DGSWTDPEFANISP-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1ccc(-c2ccc3[nH]nnc3c2)c(F)c1F ZINC001243342161 984832173 /nfs/dbraw/zinc/83/21/73/984832173.db2.gz DGSWTDPEFANISP-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ncnc2cc[nH]c21 ZINC001243499411 985052273 /nfs/dbraw/zinc/05/22/73/985052273.db2.gz IATRUJPHEWNMBF-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cccc(F)n1 ZINC001243500919 985053701 /nfs/dbraw/zinc/05/37/01/985053701.db2.gz VZQVRMZKMPHIMO-UHFFFAOYSA-N 0 2 225.169 2.872 20 0 BFADLN COc1cccnc1-c1cc(F)cc(F)c1O ZINC001243501007 985055727 /nfs/dbraw/zinc/05/57/27/985055727.db2.gz XAZFXTRQXVNCJE-UHFFFAOYSA-N 0 2 237.205 2.741 20 0 BFADLN O=C([O-])c1ccc(N2CCC[C@H]2C2CCC2)[nH+]c1 ZINC000688228122 985589404 /nfs/dbraw/zinc/58/94/04/985589404.db2.gz QDXOGBWEUWOHIC-LBPRGKRZSA-N 0 2 246.310 2.549 20 0 BFADLN COc1cnc(-c2c(O)cccc2Cl)nc1 ZINC001244028106 985762503 /nfs/dbraw/zinc/76/25/03/985762503.db2.gz YVBKXPWSDRBFME-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN Cc1cnc(-c2cc(F)c(O)c(Cl)c2)cn1 ZINC001244499236 986208268 /nfs/dbraw/zinc/20/82/68/986208268.db2.gz BFCKDQJIDOOVOB-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Oc1c(F)cc(-c2ncncc2F)cc1Cl ZINC001244499402 986208546 /nfs/dbraw/zinc/20/85/46/986208546.db2.gz CFWMPVOVIGIKNJ-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN Cc1cc(-c2cc(F)c(O)c(Cl)c2)ncn1 ZINC001244500617 986211648 /nfs/dbraw/zinc/21/16/48/986211648.db2.gz RWNTVDREMZMDGU-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1ccnnc1-c1ccc(Cl)c(O)c1F ZINC001244629533 986294650 /nfs/dbraw/zinc/29/46/50/986294650.db2.gz LAFACRHITOTXTP-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CNc1cc(-c2cccc(C(=O)[O-])c2C)cc[nH+]1 ZINC001245301510 986787115 /nfs/dbraw/zinc/78/71/15/986787115.db2.gz RZAVPETULKZSDE-UHFFFAOYSA-N 0 2 242.278 2.797 20 0 BFADLN Oc1cc(F)c(-c2ccnc(F)n2)cc1Cl ZINC001245669115 987053587 /nfs/dbraw/zinc/05/35/87/987053587.db2.gz LQBCIZLWZQOCNZ-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN CC1=NN([C@@H]2CCCc3ccccc32)C(=O)C1 ZINC001245928032 987186658 /nfs/dbraw/zinc/18/66/58/987186658.db2.gz JBWMWAVOALWZOO-CYBMUJFWSA-N 0 2 228.295 2.823 20 0 BFADLN CC[C@H](C)N1N=C(c2cccc(O)c2)CC1=O ZINC001245940141 987213603 /nfs/dbraw/zinc/21/36/03/987213603.db2.gz VSDRLSCQGVJWFH-VIFPVBQESA-N 0 2 232.283 2.932 20 0 BFADLN CC[C@H](C)n1[nH]c(-c2cccc(O)c2)cc1=O ZINC001245940141 987213629 /nfs/dbraw/zinc/21/36/29/987213629.db2.gz VSDRLSCQGVJWFH-VIFPVBQESA-N 0 2 232.283 2.932 20 0 BFADLN CC(C)(C)[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001518812840 989340393 /nfs/dbraw/zinc/34/03/93/989340393.db2.gz FLDGPTRKJQTXCT-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)(C)[C@@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001518812840 989340403 /nfs/dbraw/zinc/34/04/03/989340403.db2.gz FLDGPTRKJQTXCT-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN Cc1cccc(C2(C(=O)NOC(C)(C)C)CC2)c1 ZINC001319589195 991898503 /nfs/dbraw/zinc/89/85/03/991898503.db2.gz CYNVWOGUDRRLFP-UHFFFAOYSA-N 0 2 247.338 2.873 20 0 BFADLN CC[C@H](C)C[C@@H](C)N=c1ccc(SC)n[nH]1 ZINC000393753551 994002964 /nfs/dbraw/zinc/00/29/64/994002964.db2.gz QQRZBMSHKFQWPG-VHSXEESVSA-N 0 2 239.388 2.857 20 0 BFADLN Cc1cccc(N2N=C3[C@H](C)CC[C@H]3C2=O)c1 ZINC000634583076 342800391 /nfs/dbraw/zinc/80/03/91/342800391.db2.gz KQFBLNWQDFTHPF-ZYHUDNBSSA-N 0 2 228.295 2.744 20 0 BFADLN CC(C)c1nsc(N[C@H]2CCC(F)(F)C2)n1 ZINC000381574547 539004257 /nfs/dbraw/zinc/00/42/57/539004257.db2.gz XVGIIGRFOHVEDU-ZETCQYMHSA-N 0 2 247.314 2.683 20 0 BFADLN CCCCC1=NN(C2CCCC2)C(=O)C1 ZINC000634587879 342932385 /nfs/dbraw/zinc/93/23/85/342932385.db2.gz BJLYSSOWAHJOHI-UHFFFAOYSA-N 0 2 208.305 2.708 20 0 BFADLN CCC1=NN(c2ccccc2CC)C(=O)[C@H]1C ZINC000634588870 342934834 /nfs/dbraw/zinc/93/48/34/342934834.db2.gz HWWSSPWUNNPYTF-JTQLQIEISA-N 0 2 230.311 2.998 20 0 BFADLN CCC1=NN([C@H]2CCC[C@@H](C)C2)C(=O)C1 ZINC000634599931 342990665 /nfs/dbraw/zinc/99/06/65/342990665.db2.gz SLBLZINQHLKWBD-KOLCDFICSA-N 0 2 208.305 2.563 20 0 BFADLN CC[C@H](C)C1=NN(c2cc(C)ccn2)C(=O)C1 ZINC000634600510 342993131 /nfs/dbraw/zinc/99/31/31/342993131.db2.gz JWQZJDPHCGDICE-JTQLQIEISA-N 0 2 231.299 2.529 20 0 BFADLN CC[C@H](C)c1cc(=O)n(-c2cc(C)ccn2)[nH]1 ZINC000634600510 342993134 /nfs/dbraw/zinc/99/31/34/342993134.db2.gz JWQZJDPHCGDICE-JTQLQIEISA-N 0 2 231.299 2.529 20 0 BFADLN CCCCC1=NN(C(CC)CC)C(=O)C1 ZINC000634604437 342998481 /nfs/dbraw/zinc/99/84/81/342998481.db2.gz GODQOIVPPGLXHA-UHFFFAOYSA-N 0 2 210.321 2.954 20 0 BFADLN CC1=NN(c2cccc(F)c2Cl)C(=O)[C@H]1C ZINC000634611034 343007888 /nfs/dbraw/zinc/00/78/88/343007888.db2.gz MBFHVGZVWYFXEB-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN CC(C)(C)CCn1[nH]c2c(c1=O)CCCC2 ZINC000634620587 343019603 /nfs/dbraw/zinc/01/96/03/343019603.db2.gz IZUQMIXUSLGKBW-SNVBAGLBSA-N 0 2 222.332 2.811 20 0 BFADLN CC1=NN([C@H]2CCCCC2(C)C)C(=O)C1 ZINC000634625259 343028632 /nfs/dbraw/zinc/02/86/32/343028632.db2.gz BXNRKBYTDCYMCD-JTQLQIEISA-N 0 2 208.305 2.563 20 0 BFADLN CC1(C)CCCC[C@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625172 343028643 /nfs/dbraw/zinc/02/86/43/343028643.db2.gz ACSCKXGIPHWICP-ZYHUDNBSSA-N 0 2 234.343 2.954 20 0 BFADLN Cc1ccc(F)cc1N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000634615722 343013693 /nfs/dbraw/zinc/01/36/93/343013693.db2.gz PIVWESHGLACGBX-MWLCHTKSSA-N 0 2 246.285 2.883 20 0 BFADLN CC1(C)CCC[C@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625561 343029708 /nfs/dbraw/zinc/02/97/08/343029708.db2.gz JHACTWPSIALTHJ-MWLCHTKSSA-N 0 2 220.316 2.563 20 0 BFADLN Cc1cc(C)cc(CN(C)Cc2ncc[nH]2)c1 ZINC000351107759 136368037 /nfs/dbraw/zinc/36/80/37/136368037.db2.gz PVRUVONCTJYGDR-UHFFFAOYSA-N 0 2 229.327 2.659 20 0 BFADLN CCCC[C@@H](CC)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436134 343733679 /nfs/dbraw/zinc/73/36/79/343733679.db2.gz FRVFLSLTQPAMOL-GFCCVEGCSA-N 0 2 235.375 2.984 20 0 BFADLN Cc1ccccc1CNC(=O)[C@@H](F)C(F)(F)F ZINC000277522537 179279850 /nfs/dbraw/zinc/27/98/50/179279850.db2.gz QWPKITAFMGLOMX-SECBINFHSA-N 0 2 249.207 2.512 20 0 BFADLN Cc1ccccc1CNC(=O)C(F)C(F)(F)F ZINC000277522537 179279853 /nfs/dbraw/zinc/27/98/53/179279853.db2.gz QWPKITAFMGLOMX-SECBINFHSA-N 0 2 249.207 2.512 20 0 BFADLN Cc1ccccc1SCC(=O)NOC(C)C ZINC000294124611 179315051 /nfs/dbraw/zinc/31/50/51/179315051.db2.gz OEGHWICJZAUWAZ-UHFFFAOYSA-N 0 2 239.340 2.543 20 0 BFADLN Cc1nc(=N[C@H]2CCc3c2cccc3C)s[nH]1 ZINC000608083325 352755832 /nfs/dbraw/zinc/75/58/32/352755832.db2.gz FODBMXCNJMTOEY-LBPRGKRZSA-N 0 2 245.351 2.676 20 0 BFADLN CC[C@@H](C)CN=c1[nH]nc(C(C)C)s1 ZINC000420649834 192255083 /nfs/dbraw/zinc/25/50/83/192255083.db2.gz GVVFHTOGONRHED-MRVPVSSYSA-N 0 2 213.350 2.541 20 0 BFADLN Cc1ccc(C(C)(C)CN=c2[nH]ncs2)cc1 ZINC000450314421 202127074 /nfs/dbraw/zinc/12/70/74/202127074.db2.gz MZKWSLIKBSSFQY-UHFFFAOYSA-N 0 2 247.367 2.658 20 0 BFADLN CC(C)c1cccc(CN=c2[nH]ncs2)c1 ZINC000450454510 202170764 /nfs/dbraw/zinc/17/07/64/202170764.db2.gz LJOYHKRXKHSXGT-UHFFFAOYSA-N 0 2 233.340 2.696 20 0 BFADLN CC(C)(CN=c1[nH]ncs1)C1=CCCCC1 ZINC000450461008 202172179 /nfs/dbraw/zinc/17/21/79/202172179.db2.gz SXDHJVTZERHBCP-UHFFFAOYSA-N 0 2 237.372 2.899 20 0 BFADLN CC(C)c1nsc(NCC2(C(F)F)CC2)n1 ZINC000390306607 357086230 /nfs/dbraw/zinc/08/62/30/357086230.db2.gz DVFVSBQKJDCZGN-UHFFFAOYSA-N 0 2 247.314 2.541 20 0 BFADLN c1[nH+]c2n(c1C[NH2+][C@H]1CCC13CCC3)CCCC2 ZINC000579335599 366760728 /nfs/dbraw/zinc/76/07/28/366760728.db2.gz DEZXBVDUGBDGOB-ZDUSSCGKSA-N 0 2 245.370 2.642 20 0 BFADLN O=C([O-])c1cccc(NC[C@H]2CCCC23CC3)[nH+]1 ZINC000629770436 361694688 /nfs/dbraw/zinc/69/46/88/361694688.db2.gz TZTARUHQBBBPGF-SNVBAGLBSA-N 0 2 246.310 2.772 20 0 BFADLN CC1(CN=c2[nH]ncs2)CCCCCC1 ZINC000380333386 367183845 /nfs/dbraw/zinc/18/38/45/367183845.db2.gz PBPSEODQADCGPX-UHFFFAOYSA-N 0 2 225.361 2.732 20 0 BFADLN Cc1nsc(NCC(C)(C)C2CCC2)n1 ZINC000384893696 367751892 /nfs/dbraw/zinc/75/18/92/367751892.db2.gz ZCGJZHJNPBZHBT-UHFFFAOYSA-N 0 2 225.361 2.507 20 0 BFADLN CCCCN(C)C(=O)c1c(O)cc(F)cc1F ZINC000066042805 370548635 /nfs/dbraw/zinc/54/86/35/370548635.db2.gz LVJHREPGKFKMMT-UHFFFAOYSA-N 0 2 243.253 2.543 20 0 BFADLN Cc1cccc(CCCSc2n[nH]c(=O)[nH]2)c1 ZINC000194620249 206099257 /nfs/dbraw/zinc/09/92/57/206099257.db2.gz QBLZDEVFPCQFOI-UHFFFAOYSA-N 0 2 249.339 2.544 20 0 BFADLN O=C([O-])c1cccc(NCCCC(F)(F)F)[nH+]1 ZINC000149515508 384554756 /nfs/dbraw/zinc/55/47/56/384554756.db2.gz MBUZQXOFRKHJAY-UHFFFAOYSA-N 0 2 248.204 2.534 20 0 BFADLN O=C([O-])c1cccc(NC2CCCCC2)[nH+]1 ZINC000051041773 384957444 /nfs/dbraw/zinc/95/74/44/384957444.db2.gz DNKMXARZDUDLAX-UHFFFAOYSA-N 0 2 220.272 2.524 20 0 BFADLN C[C@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C[C@@H](C)C1 ZINC000647447030 385033637 /nfs/dbraw/zinc/03/36/37/385033637.db2.gz GHWWXRIUVDQXRV-QWRGUYRKSA-N 0 2 248.326 2.652 20 0 BFADLN CC[C@@]1(C)CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000647450981 385034787 /nfs/dbraw/zinc/03/47/87/385034787.db2.gz HQOKQWWGAPKKFF-AWEZNQCLSA-N 0 2 248.326 2.796 20 0 BFADLN C[C@H]1CN(c2[nH+]cccc2C(=O)[O-])CC(C)(C)C1 ZINC000647452599 385040843 /nfs/dbraw/zinc/04/08/43/385040843.db2.gz DGIWEYUSHWRDKN-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN Cc1[nH]ncc1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000179909376 385499716 /nfs/dbraw/zinc/49/97/16/385499716.db2.gz JEDKWNIBYKFSLP-HNNXBMFYSA-N 0 2 241.338 2.837 20 0 BFADLN NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000161734590 385499980 /nfs/dbraw/zinc/49/99/80/385499980.db2.gz QHBPAJGELMDUEG-UHFFFAOYSA-N 0 2 247.681 2.812 20 0 BFADLN CC(C)[C@@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000416414812 386298664 /nfs/dbraw/zinc/29/86/64/386298664.db2.gz INXMCPBAASTHBG-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN CCCC[C@@H](CCC)Sc1n[n-]c(=[NH2+])n1C ZINC000519544904 386481120 /nfs/dbraw/zinc/48/11/20/386481120.db2.gz GJACNNJUIGONIB-SECBINFHSA-N 0 2 242.392 2.679 20 0 BFADLN C[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 ZINC000277626326 386453917 /nfs/dbraw/zinc/45/39/17/386453917.db2.gz YPJJLYWXPCVNFN-IONNQARKSA-N 0 2 249.207 2.764 20 0 BFADLN C[C@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000277626326 386453918 /nfs/dbraw/zinc/45/39/18/386453918.db2.gz YPJJLYWXPCVNFN-IONNQARKSA-N 0 2 249.207 2.764 20 0 BFADLN CC[C@H]1CC[C@@H](C)N1c1cccc(C(=O)[O-])[nH+]1 ZINC000136205826 386570914 /nfs/dbraw/zinc/57/09/14/386570914.db2.gz MLDXUJWEEKXICQ-ZJUUUORDSA-N 0 2 234.299 2.547 20 0 BFADLN C1[C@@H]2C[C@@H](Nc3nc(C4CCCC4)ns3)C[C@H]12 ZINC000425293897 386755805 /nfs/dbraw/zinc/75/58/05/386755805.db2.gz CMTIWEUHKMJHEZ-JGPRNRPPSA-N 0 2 249.383 2.828 20 0 BFADLN CC[C@@H](C)CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000353606173 387240590 /nfs/dbraw/zinc/24/05/90/387240590.db2.gz MLPMAONDEBDROY-SECBINFHSA-N 0 2 246.314 2.723 20 0 BFADLN Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)o1 ZINC000121200203 387575634 /nfs/dbraw/zinc/57/56/34/387575634.db2.gz MCVVLHAQPQKGTR-GFCCVEGCSA-N 0 2 245.326 2.691 20 0 BFADLN CC(C)(C)c1nc(=N[C@H]2CC[C@H](F)C2)s[nH]1 ZINC000336662529 388260681 /nfs/dbraw/zinc/26/06/81/388260681.db2.gz KLXNQVYROUYPCU-YUMQZZPRSA-N 0 2 243.351 2.560 20 0 BFADLN CC(C)(C)c1nsc(N[C@H]2CC[C@H](F)C2)n1 ZINC000336662529 388260683 /nfs/dbraw/zinc/26/06/83/388260683.db2.gz KLXNQVYROUYPCU-YUMQZZPRSA-N 0 2 243.351 2.560 20 0 BFADLN C[C@H](CCC(C)(C)C)N=c1[nH]ncs1 ZINC000336676076 388462510 /nfs/dbraw/zinc/46/25/10/388462510.db2.gz CBHITFYKMJMKBZ-MRVPVSSYSA-N 0 2 213.350 2.587 20 0 BFADLN CCC1(C)CCN(c2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000062959714 132241780 /nfs/dbraw/zinc/24/17/80/132241780.db2.gz ZTLBXIPRYUVNHZ-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336071135 134071758 /nfs/dbraw/zinc/07/17/58/134071758.db2.gz BBHZBFYMTYFCFZ-PHIMTYICSA-N 0 2 247.367 2.917 20 0 BFADLN C[C@H]1CCN(c2cccc(C(=O)[O-])[nH+]2)CC1(C)C ZINC000263444923 135355097 /nfs/dbraw/zinc/35/50/97/135355097.db2.gz YHTYHMIPFLLHTE-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN CN(C(=O)c1cc(F)c[nH]1)[C@H]1CCC(C)(C)C1 ZINC000334354172 135370237 /nfs/dbraw/zinc/37/02/37/135370237.db2.gz JKLFNCFNHODTLT-JTQLQIEISA-N 0 2 238.306 2.805 20 0 BFADLN Cc1csc(CNc2[nH+]cccc2C(=O)[O-])c1 ZINC000383148140 398003680 /nfs/dbraw/zinc/00/36/80/398003680.db2.gz ZEJJIUYCKQWNKF-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CC1(C)C ZINC000668814803 487583829 /nfs/dbraw/zinc/58/38/29/487583829.db2.gz UWRGFOYLMWXCBJ-LBPRGKRZSA-N 0 2 243.354 2.812 20 0 BFADLN CC(C)C1CCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000232547202 487605338 /nfs/dbraw/zinc/60/53/38/487605338.db2.gz BCVYWAYIGANKCJ-UHFFFAOYSA-N 0 2 248.326 2.652 20 0 BFADLN O=C([O-])c1ccc(N[C@H](C2CC2)C2CCC2)[nH+]c1 ZINC000324447765 487616344 /nfs/dbraw/zinc/61/63/44/487616344.db2.gz DAHAUSDMUOKYCS-ZDUSSCGKSA-N 0 2 246.310 2.770 20 0 BFADLN CC(C)ONC(=O)C1(c2ccccc2)CCCC1 ZINC000293829518 167273545 /nfs/dbraw/zinc/27/35/45/167273545.db2.gz BGHKRPVIFMOVEZ-UHFFFAOYSA-N 0 2 247.338 2.955 20 0 BFADLN C[C@@H](Nc1cccc[nH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092608 411173769 /nfs/dbraw/zinc/17/37/69/411173769.db2.gz PFESBXDKPCFEJC-OUAUKWLOSA-N 0 2 248.326 2.629 20 0 BFADLN C[C@H](Nc1cccc[nH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092604 411173993 /nfs/dbraw/zinc/17/39/93/411173993.db2.gz PFESBXDKPCFEJC-GARJFASQSA-N 0 2 248.326 2.629 20 0 BFADLN Cc1cc2[nH]c(CC(F)(F)F)nc(=O)c2s1 ZINC000656490915 411285516 /nfs/dbraw/zinc/28/55/16/411285516.db2.gz HOGPKVISGFURHL-UHFFFAOYSA-N 0 2 248.229 2.810 20 0 BFADLN Cc1cc2[nH]c(COC(C)C)nc(=O)c2s1 ZINC000656490734 411285525 /nfs/dbraw/zinc/28/55/25/411285525.db2.gz GWBVQPOJWLOOEA-UHFFFAOYSA-N 0 2 238.312 2.630 20 0 BFADLN CN(C[C@H]1CC=CCC1)c1[nH+]cccc1C(=O)[O-] ZINC000402666832 411307333 /nfs/dbraw/zinc/30/73/33/411307333.db2.gz QNTFVJZXRWKYCR-NSHDSACASA-N 0 2 246.310 2.572 20 0 BFADLN CN(C[C@@H]1CC=CCC1)c1cc[nH+]c(C(=O)[O-])c1 ZINC000402673426 411307499 /nfs/dbraw/zinc/30/74/99/411307499.db2.gz SRTROAPIWNKHQU-LLVKDONJSA-N 0 2 246.310 2.572 20 0 BFADLN C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)C1CCCC1 ZINC000070308346 411373319 /nfs/dbraw/zinc/37/33/19/411373319.db2.gz UJVHKHICGYZLJE-SECBINFHSA-N 0 2 234.299 2.770 20 0 BFADLN CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1C ZINC000103294626 168133266 /nfs/dbraw/zinc/13/32/66/168133266.db2.gz UOXUWRZXAZASQH-ZETCQYMHSA-N 0 2 222.675 2.699 20 0 BFADLN CCC(=CC(=O)Nc1ccc2nn[nH]c2c1)CC ZINC000153985343 168195151 /nfs/dbraw/zinc/19/51/51/168195151.db2.gz WGKCQHYSATWBLY-UHFFFAOYSA-N 0 2 244.298 2.643 20 0 BFADLN CC(C)C[C@@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000307800644 411484020 /nfs/dbraw/zinc/48/40/20/411484020.db2.gz BOVUWFXIZDYCEM-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccsc1Cl ZINC000308352341 411511518 /nfs/dbraw/zinc/51/15/18/411511518.db2.gz CXCAQJFXBXOAKT-MRVPVSSYSA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1Cl ZINC000308352341 411511520 /nfs/dbraw/zinc/51/15/20/411511520.db2.gz CXCAQJFXBXOAKT-MRVPVSSYSA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@@H](C)CONC(=O)C1(c2ccccc2)CC1 ZINC000293753208 170711015 /nfs/dbraw/zinc/71/10/15/170711015.db2.gz PHAUQAVTQSFDBE-GFCCVEGCSA-N 0 2 247.338 2.812 20 0 BFADLN CC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(C(=O)[O-])c1 ZINC000662897985 412338695 /nfs/dbraw/zinc/33/86/95/412338695.db2.gz JACPKSPOSWVRCN-FGWVZKOKSA-N 0 2 246.310 2.547 20 0 BFADLN CC1C[C@H]2CC[C@@H](C1)N2c1cccc(C(=O)[O-])[nH+]1 ZINC000662898513 412339795 /nfs/dbraw/zinc/33/97/95/412339795.db2.gz NTIGDOFFJKBJGJ-FGWVZKOKSA-N 0 2 246.310 2.547 20 0 BFADLN C[C@@H]1CCC[C@H](Nc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051042657 176144968 /nfs/dbraw/zinc/14/49/68/176144968.db2.gz QRKMSEQHWLTJHB-ZJUUUORDSA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000079350742 487638240 /nfs/dbraw/zinc/63/82/40/487638240.db2.gz FPENTPUQLHBUAX-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN CCC(C)(C)CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000233024179 487686629 /nfs/dbraw/zinc/68/66/29/487686629.db2.gz XXCTWGDBDWBAOM-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC000810436851 586539178 /nfs/dbraw/zinc/53/91/78/586539178.db2.gz NJAGTQPEXSMFEK-GJMOJQLCSA-N 0 2 241.228 2.534 20 0 BFADLN O=C([O-])c1cc(NC[C@@H]2CC=CCC2)cc[nH+]1 ZINC000045647758 487848023 /nfs/dbraw/zinc/84/80/23/487848023.db2.gz ZBLHFMRCQNKNCR-SNVBAGLBSA-N 0 2 232.283 2.548 20 0 BFADLN CC(C)(C)c1nc(=NCC(C2CC2)C2CC2)[nH]o1 ZINC000570556136 323062965 /nfs/dbraw/zinc/06/29/65/323062965.db2.gz RYFPMPAFVSNFLF-UHFFFAOYSA-N 0 2 249.358 2.637 20 0 BFADLN O=C([O-])c1c(-c2ccsc2)[nH+]c2n1CCCC2 ZINC000519718308 488181361 /nfs/dbraw/zinc/18/13/61/488181361.db2.gz YUAPNYUKKOVZIK-UHFFFAOYSA-N 0 2 248.307 2.646 20 0 BFADLN Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)n1C ZINC000668047858 488195227 /nfs/dbraw/zinc/19/52/27/488195227.db2.gz NUKBMQJLBLTZMC-WOPDTQHZSA-N 0 2 235.375 2.595 20 0 BFADLN O=C([O-])CCCCNc1ccc2ccccc2[nH+]1 ZINC000070200327 490202102 /nfs/dbraw/zinc/20/21/02/490202102.db2.gz ONDAXUWGEVZSSV-UHFFFAOYSA-N 0 2 244.294 2.902 20 0 BFADLN CC[C@@]1(C)CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263437305 536040470 /nfs/dbraw/zinc/04/04/70/536040470.db2.gz VVBNDSKOAAHJGI-AWEZNQCLSA-N 0 2 248.326 2.796 20 0 BFADLN CCC(C)(C)[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000855368793 588829593 /nfs/dbraw/zinc/82/95/93/588829593.db2.gz VGCHVSDOIWQICK-RQJHMYQMSA-N 0 2 243.244 2.828 20 0 BFADLN CCC(C)(C)[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000855368793 588829594 /nfs/dbraw/zinc/82/95/94/588829594.db2.gz VGCHVSDOIWQICK-RQJHMYQMSA-N 0 2 243.244 2.828 20 0 BFADLN O=C(NCCCC1CCC1)[C@H](F)C(F)(F)F ZINC000855801730 588849052 /nfs/dbraw/zinc/84/90/52/588849052.db2.gz VVQCFXJNQQMSBX-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCCCC1CCC1)C(F)C(F)(F)F ZINC000855801730 588849053 /nfs/dbraw/zinc/84/90/53/588849053.db2.gz VVQCFXJNQQMSBX-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN CC[C@@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC000855876404 588852563 /nfs/dbraw/zinc/85/25/63/588852563.db2.gz CMGQZQKIZRVRBF-VXNVDRBHSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC000855876404 588852564 /nfs/dbraw/zinc/85/25/64/588852564.db2.gz CMGQZQKIZRVRBF-VXNVDRBHSA-N 0 2 241.228 2.582 20 0 BFADLN CCCCC1(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000889528805 582821383 /nfs/dbraw/zinc/82/13/83/582821383.db2.gz ZRWLCOXPWATZEN-ZETCQYMHSA-N 0 2 241.228 2.726 20 0 BFADLN CCCCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC000889528805 582821384 /nfs/dbraw/zinc/82/13/84/582821384.db2.gz ZRWLCOXPWATZEN-ZETCQYMHSA-N 0 2 241.228 2.726 20 0 BFADLN CC[C@]1(C)CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894087224 583298707 /nfs/dbraw/zinc/29/87/07/583298707.db2.gz VSWFLFQWSZMMOP-CYBMUJFWSA-N 0 2 221.348 2.649 20 0 BFADLN Cc1[nH]nc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1C ZINC000894904925 583553655 /nfs/dbraw/zinc/55/36/55/583553655.db2.gz BKAUMSRUKZMMTH-DZGCQCFKSA-N 0 2 245.370 2.647 20 0 BFADLN Cc1[nH]nc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1C ZINC000894904930 583553776 /nfs/dbraw/zinc/55/37/76/583553776.db2.gz BKAUMSRUKZMMTH-ZFWWWQNUSA-N 0 2 245.370 2.647 20 0 BFADLN CC[C@H](C)Oc1ccc([NH2+][C@@H](C)C(=O)[O-])cc1 ZINC000737783609 583879648 /nfs/dbraw/zinc/87/96/48/583879648.db2.gz YDQUQPYTAPAPGY-UWVGGRQHSA-N 0 2 237.299 2.749 20 0 BFADLN FC1(F)CCC(SCc2cnn[nH]2)CC1 ZINC000901738002 584489381 /nfs/dbraw/zinc/48/93/81/584489381.db2.gz ZCZCLVLPSDHRNZ-UHFFFAOYSA-N 0 2 233.287 2.616 20 0 BFADLN CC[N@H+](C[C@@H]1C[C@H]1C(=O)[O-])c1cccc(C)c1 ZINC000903887180 584818914 /nfs/dbraw/zinc/81/89/14/584818914.db2.gz LSCGLEXSNPPVHC-WCQYABFASA-N 0 2 233.311 2.542 20 0 BFADLN CC[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])c1cccc(C)c1 ZINC000903887180 584818915 /nfs/dbraw/zinc/81/89/15/584818915.db2.gz LSCGLEXSNPPVHC-WCQYABFASA-N 0 2 233.311 2.542 20 0 BFADLN CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H](C)C(C)C ZINC000839264864 585100363 /nfs/dbraw/zinc/10/03/63/585100363.db2.gz RPBZLCPOIMLWID-YUMQZZPRSA-N 0 2 243.244 2.780 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)[C@@H](C)C(C)C ZINC000839264864 585100364 /nfs/dbraw/zinc/10/03/64/585100364.db2.gz RPBZLCPOIMLWID-YUMQZZPRSA-N 0 2 243.244 2.780 20 0 BFADLN CC[C@@H](C)COC(=O)c1cc(F)c(O)c(F)c1 ZINC000759537188 585374992 /nfs/dbraw/zinc/37/49/92/585374992.db2.gz HGBJCBXYRFRTNE-SSDOTTSWSA-N 0 2 244.237 2.873 20 0 BFADLN CCCN(CCC)C(=O)[C@@H](F)C(F)(F)F ZINC000763899159 585456613 /nfs/dbraw/zinc/45/66/13/585456613.db2.gz OFPQOCKQXKUDJN-SSDOTTSWSA-N 0 2 229.217 2.535 20 0 BFADLN CCCN(CCC)C(=O)C(F)C(F)(F)F ZINC000763899159 585456614 /nfs/dbraw/zinc/45/66/14/585456614.db2.gz OFPQOCKQXKUDJN-SSDOTTSWSA-N 0 2 229.217 2.535 20 0 BFADLN CCCCN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC000763918552 585457177 /nfs/dbraw/zinc/45/71/77/585457177.db2.gz HZQWUJCCQMLZCE-SSDOTTSWSA-N 0 2 229.217 2.535 20 0 BFADLN CCCCN(CC)C(=O)C(F)C(F)(F)F ZINC000763918552 585457178 /nfs/dbraw/zinc/45/71/78/585457178.db2.gz HZQWUJCCQMLZCE-SSDOTTSWSA-N 0 2 229.217 2.535 20 0 BFADLN CN(C(=O)[C@H](F)C(F)(F)F)C1CCCCC1 ZINC000764069053 585459188 /nfs/dbraw/zinc/45/91/88/585459188.db2.gz MDHPYPJAACFAIB-QMMMGPOBSA-N 0 2 241.228 2.678 20 0 BFADLN CN(C(=O)C(F)C(F)(F)F)C1CCCCC1 ZINC000764069053 585459189 /nfs/dbraw/zinc/45/91/89/585459189.db2.gz MDHPYPJAACFAIB-QMMMGPOBSA-N 0 2 241.228 2.678 20 0 BFADLN CN(C(=O)[C@@H](F)C(F)(F)F)C1CCCCC1 ZINC000764069051 585459214 /nfs/dbraw/zinc/45/92/14/585459214.db2.gz MDHPYPJAACFAIB-MRVPVSSYSA-N 0 2 241.228 2.678 20 0 BFADLN CN(C(=O)C(F)C(F)(F)F)C1CCCCC1 ZINC000764069051 585459215 /nfs/dbraw/zinc/45/92/15/585459215.db2.gz MDHPYPJAACFAIB-MRVPVSSYSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@@H]1CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000764175485 585461049 /nfs/dbraw/zinc/46/10/49/585461049.db2.gz XBLRVTWRIHRGDH-GJMOJQLCSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000764175485 585461050 /nfs/dbraw/zinc/46/10/50/585461050.db2.gz XBLRVTWRIHRGDH-GJMOJQLCSA-N 0 2 241.228 2.582 20 0 BFADLN CCC(C)(CC)NC(=O)[C@H](F)C(F)(F)F ZINC000764505533 585467136 /nfs/dbraw/zinc/46/71/36/585467136.db2.gz GDMSCPNEXBOGHS-LURJTMIESA-N 0 2 229.217 2.582 20 0 BFADLN CCC(C)(CC)NC(=O)C(F)C(F)(F)F ZINC000764505533 585467137 /nfs/dbraw/zinc/46/71/37/585467137.db2.gz GDMSCPNEXBOGHS-LURJTMIESA-N 0 2 229.217 2.582 20 0 BFADLN CC[C@@H](C)NC(=O)c1cccc(Cl)c1O ZINC000775631225 585681887 /nfs/dbraw/zinc/68/18/87/585681887.db2.gz RRAGHGNQPINBEI-SSDOTTSWSA-N 0 2 227.691 2.574 20 0 BFADLN O=C(c1cccc(Cl)c1O)N1CCCCC1 ZINC000775634349 585681979 /nfs/dbraw/zinc/68/19/79/585681979.db2.gz RVLKSBKQRPYHRM-UHFFFAOYSA-N 0 2 239.702 2.672 20 0 BFADLN CCCN(CC)C(=O)c1cccc(Cl)c1O ZINC000775656354 585682213 /nfs/dbraw/zinc/68/22/13/585682213.db2.gz FPBJIZMFOHFSBC-UHFFFAOYSA-N 0 2 241.718 2.918 20 0 BFADLN C[C@@H](NC(=O)c1cccc(Cl)c1O)C1CC1 ZINC000775646115 585682239 /nfs/dbraw/zinc/68/22/39/585682239.db2.gz GRLZXPPWPAKDLO-SSDOTTSWSA-N 0 2 239.702 2.574 20 0 BFADLN CCN(C(=O)c1cccc(Cl)c1O)C(C)C ZINC000775665661 585682721 /nfs/dbraw/zinc/68/27/21/585682721.db2.gz HVHQMTSMGTUBBS-UHFFFAOYSA-N 0 2 241.718 2.916 20 0 BFADLN CCC[C@H](C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000788282904 585920829 /nfs/dbraw/zinc/92/08/29/585920829.db2.gz UIXGIIKQNNESOE-BQBZGAKWSA-N 0 2 229.217 2.534 20 0 BFADLN CCC[C@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000788282904 585920830 /nfs/dbraw/zinc/92/08/30/585920830.db2.gz UIXGIIKQNNESOE-BQBZGAKWSA-N 0 2 229.217 2.534 20 0 BFADLN CCS[C@@H](C(=O)NOC[C@@H](C)CC)C(C)C ZINC000794841071 586050438 /nfs/dbraw/zinc/05/04/38/586050438.db2.gz CJSMIOPHXUMPSM-WDEREUQCSA-N 0 2 247.404 2.858 20 0 BFADLN CCC[C@@H](CC)NC(=O)[C@H](F)C(F)(F)F ZINC000810251671 586537761 /nfs/dbraw/zinc/53/77/61/586537761.db2.gz UVUHMIJNUCKNJN-RQJHMYQMSA-N 0 2 229.217 2.582 20 0 BFADLN CCC[C@@H](CC)NC(=O)C(F)C(F)(F)F ZINC000810251671 586537762 /nfs/dbraw/zinc/53/77/62/586537762.db2.gz UVUHMIJNUCKNJN-RQJHMYQMSA-N 0 2 229.217 2.582 20 0 BFADLN C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1CCCC1 ZINC000810402912 586538776 /nfs/dbraw/zinc/53/87/76/586538776.db2.gz JJAWWQSXNMIQDU-HTRCEHHLSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](NC(=O)C(F)C(F)(F)F)C1CCCC1 ZINC000810402912 586538777 /nfs/dbraw/zinc/53/87/77/586538777.db2.gz JJAWWQSXNMIQDU-HTRCEHHLSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC000810436851 586539177 /nfs/dbraw/zinc/53/91/77/586539177.db2.gz NJAGTQPEXSMFEK-GJMOJQLCSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000810445923 586539227 /nfs/dbraw/zinc/53/92/27/586539227.db2.gz MPMFECMZZACBRD-XLPZGREQSA-N 0 2 243.244 2.828 20 0 BFADLN CC[C@H](C)C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000810445923 586539228 /nfs/dbraw/zinc/53/92/28/586539228.db2.gz MPMFECMZZACBRD-XLPZGREQSA-N 0 2 243.244 2.828 20 0 BFADLN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC000810514392 586539834 /nfs/dbraw/zinc/53/98/34/586539834.db2.gz BBOTYXIDADAJKH-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@H]1CCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC000810514392 586539835 /nfs/dbraw/zinc/53/98/35/586539835.db2.gz BBOTYXIDADAJKH-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN CCC(CC)N(CC)C(=O)[C@H](F)C(F)(F)F ZINC000816721887 586760254 /nfs/dbraw/zinc/76/02/54/586760254.db2.gz WXBWAXXLJMKXET-QMMMGPOBSA-N 0 2 243.244 2.924 20 0 BFADLN CCC(CC)N(CC)C(=O)C(F)C(F)(F)F ZINC000816721887 586760256 /nfs/dbraw/zinc/76/02/56/586760256.db2.gz WXBWAXXLJMKXET-QMMMGPOBSA-N 0 2 243.244 2.924 20 0 BFADLN CCOc1ccc([NH2+][C@@H](C)CC(=O)[O-])c(C)c1 ZINC000820386932 587045629 /nfs/dbraw/zinc/04/56/29/587045629.db2.gz BFLVVXQPCNZIHN-JTQLQIEISA-N 0 2 237.299 2.669 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1CCCc1ccccc1 ZINC000832996316 587696874 /nfs/dbraw/zinc/69/68/74/587696874.db2.gz QXBSLUUMRKNAEW-UHFFFAOYSA-N 0 2 244.294 2.523 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C/C=C/c1ccccc1 ZINC000832996575 587697225 /nfs/dbraw/zinc/69/72/25/587697225.db2.gz XXSCSFIAYFWSLL-VMPITWQZSA-N 0 2 242.278 2.603 20 0 BFADLN CCC1(NC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC000834304332 587750776 /nfs/dbraw/zinc/75/07/76/587750776.db2.gz QOEAMJKAJQRXMV-ZETCQYMHSA-N 0 2 241.228 2.726 20 0 BFADLN CCC1(NC(=O)C(F)C(F)(F)F)CCCC1 ZINC000834304332 587750777 /nfs/dbraw/zinc/75/07/77/587750777.db2.gz QOEAMJKAJQRXMV-ZETCQYMHSA-N 0 2 241.228 2.726 20 0 BFADLN C[C@H](CC(C)(C)C)NC(=O)[C@@H](F)C(F)(F)F ZINC000837230810 587860569 /nfs/dbraw/zinc/86/05/69/587860569.db2.gz PKGMVZWCAWXDMH-RNFRBKRXSA-N 0 2 243.244 2.828 20 0 BFADLN C[C@H](CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC000837230810 587860571 /nfs/dbraw/zinc/86/05/71/587860571.db2.gz PKGMVZWCAWXDMH-RNFRBKRXSA-N 0 2 243.244 2.828 20 0 BFADLN CNC(=S)Nc1ccc(C)cc1SC ZINC000840856818 587925951 /nfs/dbraw/zinc/92/59/51/587925951.db2.gz LTTGEBRRUBSSCV-UHFFFAOYSA-N 0 2 226.370 2.633 20 0 BFADLN O=C1CC(c2cccc(Cl)c2)=NN1C1CCC1 ZINC000841487585 587956346 /nfs/dbraw/zinc/95/63/46/587956346.db2.gz PXBZIMQNYAVTTJ-UHFFFAOYSA-N 0 2 248.713 2.829 20 0 BFADLN O=c1cc(-c2cccc(Cl)c2)[nH]n1C1CCC1 ZINC000841487585 587956347 /nfs/dbraw/zinc/95/63/47/587956347.db2.gz PXBZIMQNYAVTTJ-UHFFFAOYSA-N 0 2 248.713 2.829 20 0 BFADLN CC[C@@H](NC(=O)C(F)(F)F)c1ccccc1F ZINC000848264324 588368000 /nfs/dbraw/zinc/36/80/00/588368000.db2.gz TYXUHGTWSGFWJJ-SECBINFHSA-N 0 2 249.207 2.955 20 0 BFADLN Cc1cccnc1N1N=C(CCC(C)C)CC1=O ZINC000871955408 589842072 /nfs/dbraw/zinc/84/20/72/589842072.db2.gz ASNJAPXXKUREEI-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN Cc1cccnc1-n1[nH]c(CCC(C)C)cc1=O ZINC000871955408 589842073 /nfs/dbraw/zinc/84/20/73/589842073.db2.gz ASNJAPXXKUREEI-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN CONC(=O)C1(c2ccccc2C)CCCCC1 ZINC000124088963 589939376 /nfs/dbraw/zinc/93/93/76/589939376.db2.gz SWTCRBPFSKTNEA-UHFFFAOYSA-N 0 2 247.338 2.875 20 0 BFADLN C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)C(C)(C)C ZINC000159037019 641661524 /nfs/dbraw/zinc/66/15/24/641661524.db2.gz IDKIITSCPNJAMT-MRVPVSSYSA-N 0 2 222.288 2.626 20 0 BFADLN O=c1[nH]cccc1Nc1ccccc1S ZINC001206457846 968318210 /nfs/dbraw/zinc/31/82/10/968318210.db2.gz YDQCOBDKNOLQID-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN CC[C@@H](C)CCNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001604956037 979785202 /nfs/dbraw/zinc/78/52/02/979785202.db2.gz JGSOYXAXCATMKK-SNVBAGLBSA-N 0 2 236.315 2.557 20 0 BFADLN Cc1c(-c2ccccc2S)cnn1C ZINC001240381342 981340223 /nfs/dbraw/zinc/34/02/23/981340223.db2.gz MIPOSFMHTROLQT-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN Nc1cncc(-c2ccccc2S)c1 ZINC001242499859 983823115 /nfs/dbraw/zinc/82/31/15/983823115.db2.gz ZDDCUVSCDSWGBM-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN CCC[C@H](Oc1nc(=O)[nH]cc1F)[C@@H](C)CC ZINC001225881210 974712579 /nfs/dbraw/zinc/71/25/79/974712579.db2.gz GADXLCXQXFRCNL-WPRPVWTQSA-N 0 2 242.294 2.915 20 0 BFADLN CC1(C)CCC[C@@H](Oc2nc(=O)[nH]cc2F)C1 ZINC001225885091 974718203 /nfs/dbraw/zinc/71/82/03/974718203.db2.gz LHHNAKYTRCJCRD-MRVPVSSYSA-N 0 2 240.278 2.669 20 0 BFADLN O=c1cc(Cl)nc(OC2CCCCCC2)[nH]1 ZINC001225562187 974553770 /nfs/dbraw/zinc/55/37/70/974553770.db2.gz FPTXJSYQJVMTHO-UHFFFAOYSA-N 0 2 242.706 2.937 20 0 BFADLN Nc1cc(CNc2cc(F)ccc2[S-])cc[nH+]1 ZINC001167618196 959089466 /nfs/dbraw/zinc/08/94/66/959089466.db2.gz FTGJYQGHQRAKCG-UHFFFAOYSA-N 0 2 249.314 2.704 20 0 BFADLN C/C(=C\C=C\[NH3+])c1c(F)cc(C(=O)[O-])cc1F ZINC001222403855 972464166 /nfs/dbraw/zinc/46/41/66/972464166.db2.gz YDIUSIFLVFXFRY-JKEDICHKSA-N 0 2 239.221 2.539 20 0 BFADLN CCCCCC[C@H](C)C(=O)Nc1nc(C)n[nH]1 ZINC000173521877 960355538 /nfs/dbraw/zinc/35/55/38/960355538.db2.gz YRCUCRGMWNLDHU-VIFPVBQESA-N 0 2 238.335 2.658 20 0 BFADLN Nc1ccc(-c2ccc([S-])cc2)c[nH+]1 ZINC001236313589 966361051 /nfs/dbraw/zinc/36/10/51/966361051.db2.gz VQYATPWVFMJBHI-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN NC(=O)c1ccc(-c2cccc(S)c2)cc1 ZINC001239870418 967239398 /nfs/dbraw/zinc/23/93/98/967239398.db2.gz FCVFPLYSIAVFKV-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN Oc1c(Cl)ccc(-c2ncccn2)c1F ZINC001250448568 967873993 /nfs/dbraw/zinc/87/39/93/967873993.db2.gz FVYFHWGIIKPSGW-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN COc1cc(Nc2cccc([S-])c2)c(N)c[nH+]1 ZINC001210946645 970086165 /nfs/dbraw/zinc/08/61/65/970086165.db2.gz SPMVOZGWIVHXOJ-UHFFFAOYSA-N 0 2 247.323 2.705 20 0 BFADLN Cc1n[nH]c(S[C@@H]2CCCC[C@@H]2C)n1 ZINC001330148808 974130865 /nfs/dbraw/zinc/13/08/65/974130865.db2.gz BQMJBWDBAYQSTB-IONNQARKSA-N 0 2 211.334 2.784 20 0 BFADLN CC(C)C[C@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225560926 974553315 /nfs/dbraw/zinc/55/33/15/974553315.db2.gz XBBXDWVLZPINAH-ZETCQYMHSA-N 0 2 230.695 2.649 20 0 BFADLN C[C@@H]1CC[C@H](C)[C@H](Oc2nc(=O)[nH]cc2F)C1 ZINC001225881200 974712932 /nfs/dbraw/zinc/71/29/32/974712932.db2.gz FWCSRKNRGHCEEM-KHQFGBGNSA-N 0 2 240.278 2.525 20 0 BFADLN CCCC[C@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225882208 974715116 /nfs/dbraw/zinc/71/51/16/974715116.db2.gz QFCBICUTOSDZKD-QMMMGPOBSA-N 0 2 228.267 2.669 20 0 BFADLN CC[C@@H](C)CC[C@H](C)Oc1nc(=O)[nH]cc1F ZINC001225886364 974717238 /nfs/dbraw/zinc/71/72/38/974717238.db2.gz WSBQKLJPMBGODS-BDAKNGLRSA-N 0 2 242.294 2.915 20 0 BFADLN CC[C@H](C)CC[C@@H](C)Oc1nc(=O)[nH]cc1F ZINC001225886365 974718010 /nfs/dbraw/zinc/71/80/10/974718010.db2.gz WSBQKLJPMBGODS-DTWKUNHWSA-N 0 2 242.294 2.915 20 0 BFADLN CC(C)CCC[C@@H](C)Oc1nc(=O)[nH]cc1F ZINC001225886076 974718536 /nfs/dbraw/zinc/71/85/36/974718536.db2.gz SLCGYOQBVZRNEI-SECBINFHSA-N 0 2 242.294 2.915 20 0 BFADLN Cc1nc(O[C@H]2CC[C@@H](C)CC2)c(F)c(=O)[nH]1 ZINC001226423595 974893402 /nfs/dbraw/zinc/89/34/02/974893402.db2.gz JUNLHIMVAYSDKN-OTSSQURYSA-N 0 2 240.278 2.587 20 0 BFADLN CC[C@@H](Oc1nc(C)[nH]c(=O)c1F)C(C)(C)C ZINC001226424457 974893736 /nfs/dbraw/zinc/89/37/36/974893736.db2.gz PTHRVRSLWDKTTG-MRVPVSSYSA-N 0 2 242.294 2.833 20 0 BFADLN CC(C)C[C@@H](C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228004047 975843044 /nfs/dbraw/zinc/84/30/44/975843044.db2.gz IRFJGGNALKCYRG-SECBINFHSA-N 0 2 247.298 2.544 20 0 BFADLN CCC[C@@H](CC)Oc1[nH]c(=O)nc2cccnc21 ZINC001228011244 975850354 /nfs/dbraw/zinc/85/03/54/975850354.db2.gz YQDWIYUMPBXNDM-SECBINFHSA-N 0 2 247.298 2.688 20 0 BFADLN CO[C@H](C)COc1ccc(S)cc1C ZINC001229634699 976920396 /nfs/dbraw/zinc/92/03/96/976920396.db2.gz KKFHFDNCCQBKNX-SECBINFHSA-N 0 2 212.314 2.697 20 0 BFADLN Cc1cc(S)ccc1OC[C@H]1CCCO1 ZINC001229635345 976921720 /nfs/dbraw/zinc/92/17/20/976921720.db2.gz VUFMWLLXDOXMBO-SNVBAGLBSA-N 0 2 224.325 2.842 20 0 BFADLN Cc1c[nH+]c(Nc2cncc(C(=O)[O-])c2)c(C)c1 ZINC001175840289 977755074 /nfs/dbraw/zinc/75/50/74/977755074.db2.gz JMSGDSHQDPTNLP-UHFFFAOYSA-N 0 2 243.266 2.535 20 0 BFADLN Cc1ccc(C)c(Nc2cncc(C(=O)[O-])c2)[nH+]1 ZINC001175840696 977756567 /nfs/dbraw/zinc/75/65/67/977756567.db2.gz SSXAMJQYBZWSAC-UHFFFAOYSA-N 0 2 243.266 2.535 20 0 BFADLN O=c1ccc(Nc2ccc(S)cc2)c[nH]1 ZINC001176131793 977913087 /nfs/dbraw/zinc/91/30/87/977913087.db2.gz BXDALPPWJIWLHW-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN Cc1cccc(Nc2ccc(C(=O)[O-])cc2)[nH+]1 ZINC001176707065 978172164 /nfs/dbraw/zinc/17/21/64/978172164.db2.gz FZOPUCAVQPQRMC-UHFFFAOYSA-N 0 2 228.251 2.832 20 0 BFADLN C[N@H+](Cc1ccon1)Cc1ccc([S-])cc1 ZINC001233262229 978522319 /nfs/dbraw/zinc/52/23/19/978522319.db2.gz XBSHRJKSIGJNRV-UHFFFAOYSA-N 0 2 234.324 2.595 20 0 BFADLN C[N@@H+](Cc1ccon1)Cc1ccc([S-])cc1 ZINC001233262229 978522325 /nfs/dbraw/zinc/52/23/25/978522325.db2.gz XBSHRJKSIGJNRV-UHFFFAOYSA-N 0 2 234.324 2.595 20 0 BFADLN Cc1ccc(N[C@@H]2CCC[C@H]2C)[nH+]c1C(=O)[O-] ZINC001600459439 978695298 /nfs/dbraw/zinc/69/52/98/978695298.db2.gz HMEFQXVMBUQOIL-PSASIEDQSA-N 0 2 234.299 2.689 20 0 BFADLN Cc1ccc(N[C@H]2CCC2(C)C)[nH+]c1C(=O)[O-] ZINC001600459226 978695691 /nfs/dbraw/zinc/69/56/91/978695691.db2.gz GGZJNCMGOBGCGP-VIFPVBQESA-N 0 2 234.299 2.689 20 0 BFADLN CC(C)[C@H](C)Oc1cc(O)cc2occc(=O)c12 ZINC001233828139 978706023 /nfs/dbraw/zinc/70/60/23/978706023.db2.gz YIKRABRBJFJFOF-VIFPVBQESA-N 0 2 248.278 2.922 20 0 BFADLN CC[C@H](C)Oc1cc(O)cc2occc(=O)c12 ZINC001233826570 978706415 /nfs/dbraw/zinc/70/64/15/978706415.db2.gz DRLNQOWVKUZAOC-QMMMGPOBSA-N 0 2 234.251 2.676 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@@H]1CC2CCC1CC2 ZINC001600685384 978720945 /nfs/dbraw/zinc/72/09/45/978720945.db2.gz JKTBPKJRWHIIBD-MCIGGMRASA-N 0 2 248.326 2.716 20 0 BFADLN O=C([O-])Cc1cc[nH+]c(NCCCC2CCC2)c1 ZINC001602151358 979068503 /nfs/dbraw/zinc/06/85/03/979068503.db2.gz YCHCPKJATYNBQY-UHFFFAOYSA-N 0 2 248.326 2.701 20 0 BFADLN CCC(CC)Nc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001595121210 979487613 /nfs/dbraw/zinc/48/76/13/979487613.db2.gz GPUXCXNEPRGITK-UHFFFAOYSA-N 0 2 222.288 2.689 20 0 BFADLN Cc1ccc(F)c(-c2ncc3cc[nH]c3n2)c1O ZINC001236389847 979575428 /nfs/dbraw/zinc/57/54/28/979575428.db2.gz GLFDJKDLPHXNGC-UHFFFAOYSA-N 0 2 243.241 2.730 20 0 BFADLN CC1CC(N(C)C(=O)Cc2ccc(S)cc2)C1 ZINC001183189124 979755731 /nfs/dbraw/zinc/75/57/31/979755731.db2.gz XGMKXZJZXVGCEV-UHFFFAOYSA-N 0 2 249.379 2.775 20 0 BFADLN CSC[C@@H](C)C(=O)Nc1ccccc1S ZINC001183214931 979774299 /nfs/dbraw/zinc/77/42/99/979774299.db2.gz DMHKHRKIOUBTDV-MRVPVSSYSA-N 0 2 241.381 2.913 20 0 BFADLN CCC(F)(F)CNc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001595224527 980068813 /nfs/dbraw/zinc/06/88/13/980068813.db2.gz BRGYFFSFPXHIIL-UHFFFAOYSA-N 0 2 244.241 2.545 20 0 BFADLN CN(C(=O)c1ccc(O)c(F)c1F)C(C)(C)C ZINC001192832619 981192263 /nfs/dbraw/zinc/19/22/63/981192263.db2.gz HETSTSBMMDJAGM-UHFFFAOYSA-N 0 2 243.253 2.541 20 0 BFADLN O=C(Nc1ccccc1)c1cc(F)c(O)cc1F ZINC001192852894 981196483 /nfs/dbraw/zinc/19/64/83/981196483.db2.gz NBUCJHXRRXEHCY-UHFFFAOYSA-N 0 2 249.216 2.923 20 0 BFADLN Cc1c(-c2cccc(S)c2)cnn1C ZINC001240381438 981317546 /nfs/dbraw/zinc/31/75/46/981317546.db2.gz RKTOUZXGQLWWSL-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN CCn1cc(-c2ccc(S)cc2)cn1 ZINC001240649095 981550716 /nfs/dbraw/zinc/55/07/16/981550716.db2.gz SRXDTQWANCZJEF-UHFFFAOYSA-N 0 2 204.298 2.859 20 0 BFADLN Oc1ccc(F)cc1-c1nccc(C(F)F)n1 ZINC001240693448 981600122 /nfs/dbraw/zinc/60/01/22/981600122.db2.gz BMYICNAXQBCFAI-UHFFFAOYSA-N 0 2 240.184 2.926 20 0 BFADLN CCCc1cnc(-c2cc(F)ccc2O)nc1 ZINC001240693708 981602359 /nfs/dbraw/zinc/60/23/59/981602359.db2.gz WDDPLESGBKNZFK-UHFFFAOYSA-N 0 2 232.258 2.941 20 0 BFADLN CCn1nccc1-c1ccc(S)cc1 ZINC001240700081 981625455 /nfs/dbraw/zinc/62/54/55/981625455.db2.gz YXJRZHUNROXFLY-UHFFFAOYSA-N 0 2 204.298 2.859 20 0 BFADLN COc1cc(C)[nH+]cc1-c1ccc(C(=O)[O-])s1 ZINC001240847774 981887999 /nfs/dbraw/zinc/88/79/99/981887999.db2.gz ZXLRUEJMGPZWON-UHFFFAOYSA-N 0 2 249.291 2.825 20 0 BFADLN CC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001585516767 981931628 /nfs/dbraw/zinc/93/16/28/981931628.db2.gz NFXHWGSQXRZGCS-RNJXMRFFSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001585516767 981931632 /nfs/dbraw/zinc/93/16/32/981931632.db2.gz NFXHWGSQXRZGCS-RNJXMRFFSA-N 0 2 241.228 2.534 20 0 BFADLN Sc1cccc(-c2cnc3n[nH]cc3c2)c1 ZINC001241423848 982573999 /nfs/dbraw/zinc/57/39/99/982573999.db2.gz DHLOTXQUFZSLCF-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Nc1ccc(Nc2ccccc2[S-])c[nH+]1 ZINC001201284551 983157012 /nfs/dbraw/zinc/15/70/12/983157012.db2.gz RXAORVBKVBWFCY-UHFFFAOYSA-N 0 2 217.297 2.696 20 0 BFADLN Oc1cc(F)ccc1-c1nccc2nccnc21 ZINC001242216450 983412737 /nfs/dbraw/zinc/41/27/37/983412737.db2.gz UTDFRHVIOXHVBM-UHFFFAOYSA-N 0 2 241.225 2.537 20 0 BFADLN Oc1cc(F)ccc1-c1nccnc1C(F)F ZINC001242218034 983415746 /nfs/dbraw/zinc/41/57/46/983415746.db2.gz XNRVJQLPWSIBRW-UHFFFAOYSA-N 0 2 240.184 2.926 20 0 BFADLN Oc1c(F)cccc1-c1ncccc1F ZINC001242348090 983608529 /nfs/dbraw/zinc/60/85/29/983608529.db2.gz KHDRABDFRKSBSL-UHFFFAOYSA-N 0 2 207.179 2.732 20 0 BFADLN Cc1cnc(-c2cccc(Cl)c2O)c(N)c1 ZINC001242364920 983658832 /nfs/dbraw/zinc/65/88/32/983658832.db2.gz MPLGDQKPBPQXAL-UHFFFAOYSA-N 0 2 234.686 2.998 20 0 BFADLN OC(=C[C@@H](O)C(F)(F)F)c1cccs1 ZINC000201239336 983982269 /nfs/dbraw/zinc/98/22/69/983982269.db2.gz PCGZWDUJVMFOKT-IQXGSHKSSA-N 0 2 224.203 2.570 20 0 BFADLN Cn1ccc2c1ncnc2-c1cccc(S)c1 ZINC001242865898 984208632 /nfs/dbraw/zinc/20/86/32/984208632.db2.gz RTLQMGTURHBJED-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Cn1cnc2c1ccnc2-c1cccc(S)c1 ZINC001242865916 984209481 /nfs/dbraw/zinc/20/94/81/984209481.db2.gz SSGFQPSPMWWICF-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Oc1ccc(-c2nccc3[nH]cnc32)c(F)c1F ZINC001243338458 984828311 /nfs/dbraw/zinc/82/83/11/984828311.db2.gz KRVLLCXIXFTXTK-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Nc1[nH+]cccc1-c1cc(Cl)cc(C(=O)[O-])c1 ZINC001243325392 984829396 /nfs/dbraw/zinc/82/93/96/984829396.db2.gz OJEVRTKPQBYBJH-UHFFFAOYSA-N 0 2 248.669 2.682 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ncnc2[nH]ccc21 ZINC001243500891 985052557 /nfs/dbraw/zinc/05/25/57/985052557.db2.gz VHIJYFQEIIPZSO-UHFFFAOYSA-N 0 2 247.204 2.560 20 0 BFADLN Oc1cccc(Cl)c1-c1ncc2[nH]ccc2n1 ZINC001244025421 985764823 /nfs/dbraw/zinc/76/48/23/985764823.db2.gz BSPGBBGCRYNZBH-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1c(F)cc(-c2ccc3[nH]nnc3c2)cc1F ZINC001244094511 985809933 /nfs/dbraw/zinc/80/99/33/985809933.db2.gz UBOODTXBLFJXEB-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN CC(C)(CO)n1cc(-c2ccccc2S)cn1 ZINC001244103503 985813077 /nfs/dbraw/zinc/81/30/77/985813077.db2.gz TVHJBKFVGCHOPJ-UHFFFAOYSA-N 0 2 248.351 2.566 20 0 BFADLN Oc1c(F)cc(-c2ccnnc2)cc1Cl ZINC001244502907 986206255 /nfs/dbraw/zinc/20/62/55/986206255.db2.gz WLGXTRYHYZNBSB-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN CCn1[nH]c(-c2ccc(C)cc2)cc1=O ZINC000382691845 986752386 /nfs/dbraw/zinc/75/23/86/986752386.db2.gz SJDHEDQBPDDMQP-UHFFFAOYSA-N 0 2 202.257 2.584 20 0 BFADLN CC(C)CNC(=S)Nc1ccccc1S ZINC001245242466 986759244 /nfs/dbraw/zinc/75/92/44/986759244.db2.gz HSNCUPFLUGRYBC-UHFFFAOYSA-N 0 2 240.397 2.918 20 0 BFADLN Cn1ncc2cc(-c3ccccc3S)cnc21 ZINC001245473411 986862528 /nfs/dbraw/zinc/86/25/28/986862528.db2.gz XOWBAUMPUBGAGH-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN [NH3+]Cc1cnccc1-c1cc([S-])cc(S)c1 ZINC001245561302 986959526 /nfs/dbraw/zinc/95/95/26/986959526.db2.gz VMIUMIJBMCBNSA-UHFFFAOYSA-N 0 2 248.376 2.785 20 0 BFADLN Oc1cc(F)c(-c2cccnn2)cc1Cl ZINC001245668104 987053857 /nfs/dbraw/zinc/05/38/57/987053857.db2.gz NOECNGMFWJWPBS-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Cc1nc(-n2[nH]c(C(C)C)cc2=O)sc1C ZINC001245918067 987151310 /nfs/dbraw/zinc/15/13/10/987151310.db2.gz VGIGMMVQWPVORW-UHFFFAOYSA-N 0 2 237.328 2.775 20 0 BFADLN Cc1ccc(-c2cc(=O)n(CC3CC3)[nH]2)cc1 ZINC001245919941 987157504 /nfs/dbraw/zinc/15/75/04/987157504.db2.gz WLGXNFPLHIWRLT-UHFFFAOYSA-N 0 2 228.295 2.974 20 0 BFADLN COc1ccc(-c2cc(=O)n(C3CCC3)[nH]2)cc1 ZINC001245919308 987161633 /nfs/dbraw/zinc/16/16/33/987161633.db2.gz FKBRDKPOLMVVSV-UHFFFAOYSA-N 0 2 244.294 2.989 20 0 BFADLN O=C1CC(c2cc(F)cc(F)c2)=NN1C1CC1 ZINC001245920751 987162821 /nfs/dbraw/zinc/16/28/21/987162821.db2.gz JTIGQAQTKHTIJF-UHFFFAOYSA-N 0 2 236.221 2.869 20 0 BFADLN O=c1cc(-c2cc(F)cc(F)c2)[nH]n1C1CC1 ZINC001245920751 987162840 /nfs/dbraw/zinc/16/28/40/987162840.db2.gz JTIGQAQTKHTIJF-UHFFFAOYSA-N 0 2 236.221 2.869 20 0 BFADLN CCN1N=C(c2ccccc2Cl)CC1=O ZINC001245927379 987180347 /nfs/dbraw/zinc/18/03/47/987180347.db2.gz PZAPULBWFXQKEG-UHFFFAOYSA-N 0 2 222.675 2.929 20 0 BFADLN Cc1csc(-n2[nH]c(C(C)(C)C)cc2=O)n1 ZINC001245930205 987193645 /nfs/dbraw/zinc/19/36/45/987193645.db2.gz WELPCOMBQSWUOU-UHFFFAOYSA-N 0 2 237.328 2.640 20 0 BFADLN O=c1cc(-c2ccc(O)cc2)[nH]n1CC1CCC1 ZINC001245941396 987212773 /nfs/dbraw/zinc/21/27/73/987212773.db2.gz KQDCWTZWOKYQFZ-UHFFFAOYSA-N 0 2 244.294 2.761 20 0 BFADLN CCC(C)(C)n1[nH]c(-c2cccc(N)c2)cc1=O ZINC001245949681 987222425 /nfs/dbraw/zinc/22/24/25/987222425.db2.gz ZDJQOEGBYVXPQB-UHFFFAOYSA-N 0 2 245.326 2.983 20 0 BFADLN O=c1cc(-c2ccsc2)[nH]n1-c1cccnc1 ZINC001245949470 987227645 /nfs/dbraw/zinc/22/76/45/987227645.db2.gz SJZWTWWLRHSTQH-UHFFFAOYSA-N 0 2 243.291 2.701 20 0 BFADLN C[C@@H]1CC[C@@H]1NC(=O)c1cccc(Cl)c1O ZINC001117459700 987838603 /nfs/dbraw/zinc/83/86/03/987838603.db2.gz FICSVVZXVXWZKL-XCBNKYQSSA-N 0 2 239.702 2.574 20 0 BFADLN Cc1ccc(N2N=C3[C@@H](C)CC[C@@H]3C2=O)cc1 ZINC000634583155 342800322 /nfs/dbraw/zinc/80/03/22/342800322.db2.gz MSFPACZPNYQKLJ-JQWIXIFHSA-N 0 2 228.295 2.744 20 0 BFADLN Cc1ccccc1N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000634582387 342798352 /nfs/dbraw/zinc/79/83/52/342798352.db2.gz RHTUAPQKRAQCFG-MNOVXSKESA-N 0 2 228.295 2.744 20 0 BFADLN C[C@H]1CCC2=NN(c3ccc(F)cc3)C(=O)[C@@H]2C1 ZINC000634582853 342800192 /nfs/dbraw/zinc/80/01/92/342800192.db2.gz DDZDYEVIQXQONU-JOYOIKCWSA-N 0 2 246.285 2.965 20 0 BFADLN C/C=C/CNc1nc(C2CCCC2)ns1 ZINC000624655962 342809773 /nfs/dbraw/zinc/80/97/73/342809773.db2.gz AYVYNAMETWBROJ-NSCUHMNNSA-N 0 2 223.345 2.606 20 0 BFADLN CC(C)Cn1[nH]c2c(c1=O)CCCCCC2 ZINC000634583643 342814780 /nfs/dbraw/zinc/81/47/80/342814780.db2.gz CXKCFTFJXUFUOD-NSHDSACASA-N 0 2 222.332 2.811 20 0 BFADLN CC(C)CN1N=C(c2cccs2)[C@@H](C)C1=O ZINC000634583751 342815242 /nfs/dbraw/zinc/81/52/42/342815242.db2.gz HBHNHYGVUHNPFA-SECBINFHSA-N 0 2 236.340 2.587 20 0 BFADLN CC(C)C[C@@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000037265466 398315231 /nfs/dbraw/zinc/31/52/31/398315231.db2.gz USAADXUUTAUDOX-SECBINFHSA-N 0 2 222.288 2.626 20 0 BFADLN O=C([O-])c1ccc[nH+]c1NCCC1CCCC1 ZINC000037492666 398329018 /nfs/dbraw/zinc/32/90/18/398329018.db2.gz GFZPJIADQCQEQM-UHFFFAOYSA-N 0 2 234.299 2.772 20 0 BFADLN O=C1CC(C2CCC2)=NN1c1ccc(Cl)cn1 ZINC000634593675 342951385 /nfs/dbraw/zinc/95/13/85/342951385.db2.gz XGUJSZNUYJLUQF-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=c1cc(C2CCC2)[nH]n1-c1ccc(Cl)cn1 ZINC000634593675 342951386 /nfs/dbraw/zinc/95/13/86/342951386.db2.gz XGUJSZNUYJLUQF-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=C1CC(c2ccoc2)=NN1C1CCCCC1 ZINC000634593905 342953203 /nfs/dbraw/zinc/95/32/03/342953203.db2.gz DJVMDQUXMVDEOL-UHFFFAOYSA-N 0 2 232.283 2.549 20 0 BFADLN O=c1cc(-c2ccoc2)[nH]n1C1CCCCC1 ZINC000634593905 342953204 /nfs/dbraw/zinc/95/32/04/342953204.db2.gz DJVMDQUXMVDEOL-UHFFFAOYSA-N 0 2 232.283 2.549 20 0 BFADLN C[C@H](C1CC1)N1N=C(c2cccs2)[C@@H](C)C1=O ZINC000634597420 342973627 /nfs/dbraw/zinc/97/36/27/342973627.db2.gz JROWDFFQOLRJHE-RKDXNWHRSA-N 0 2 248.351 2.729 20 0 BFADLN CC1=NN(c2ccc(F)c(Cl)c2)C(=O)[C@H]1C ZINC000634596398 342966087 /nfs/dbraw/zinc/96/60/87/342966087.db2.gz FSXOYFOIYQQEQX-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN CCC1=NN(C2CCC(C)CC2)C(=O)C1 ZINC000634599955 342990815 /nfs/dbraw/zinc/99/08/15/342990815.db2.gz SZQMQPOJLHNRFR-UHFFFAOYSA-N 0 2 208.305 2.563 20 0 BFADLN CCCCC1=NN(c2cc(C)ccn2)C(=O)[C@H]1C ZINC000634600910 342994228 /nfs/dbraw/zinc/99/42/28/342994228.db2.gz WQFHKQLJYDGQAB-NSHDSACASA-N 0 2 245.326 2.919 20 0 BFADLN CCCC1=NN([C@H]2CCC[C@H](C)C2)C(=O)C1 ZINC000634599086 342987306 /nfs/dbraw/zinc/98/73/06/342987306.db2.gz AGTVYOMLGYDTRG-JQWIXIFHSA-N 0 2 222.332 2.954 20 0 BFADLN CC[C@H](C)C1=NN(c2cccc(C)n2)C(=O)C1 ZINC000634613377 343010593 /nfs/dbraw/zinc/01/05/93/343010593.db2.gz WTDUCDSPVYTNNM-VIFPVBQESA-N 0 2 231.299 2.529 20 0 BFADLN CC[C@H](C)c1cc(=O)n(-c2cccc(C)n2)[nH]1 ZINC000634613377 343010594 /nfs/dbraw/zinc/01/05/94/343010594.db2.gz WTDUCDSPVYTNNM-VIFPVBQESA-N 0 2 231.299 2.529 20 0 BFADLN CC1=NN(c2cc(F)cc(Cl)c2)C(=O)[C@H]1C ZINC000634607174 343004912 /nfs/dbraw/zinc/00/49/12/343004912.db2.gz OQYCYKASCONAGX-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN CCCCCn1[nH]c(-c2ccccc2)cc1=O ZINC000634619199 343018367 /nfs/dbraw/zinc/01/83/67/343018367.db2.gz ROUPZILBJAFDTM-UHFFFAOYSA-N 0 2 230.311 2.813 20 0 BFADLN CCCCCn1[nH]c2c(c1=O)CCCC2 ZINC000634619380 343018476 /nfs/dbraw/zinc/01/84/76/343018476.db2.gz XHPQVOYOHYBFTO-JTQLQIEISA-N 0 2 208.305 2.565 20 0 BFADLN CC(C)(C)CCN1N=C(c2ccoc2)CC1=O ZINC000634620748 343019682 /nfs/dbraw/zinc/01/96/82/343019682.db2.gz OCRKWDPQAPZRPA-UHFFFAOYSA-N 0 2 234.299 2.652 20 0 BFADLN CC(C)(C)CCn1[nH]c(-c2ccoc2)cc1=O ZINC000634620748 343019683 /nfs/dbraw/zinc/01/96/83/343019683.db2.gz OCRKWDPQAPZRPA-UHFFFAOYSA-N 0 2 234.299 2.652 20 0 BFADLN CCC(CC)Cn1[nH]c2c(c1=O)CCCC2 ZINC000634622080 343023578 /nfs/dbraw/zinc/02/35/78/343023578.db2.gz WLXZOYFEHTUSEY-LLVKDONJSA-N 0 2 222.332 2.811 20 0 BFADLN Cc1ccc(N2N=C3[C@H](C)CC[C@H]3C2=O)cc1F ZINC000634614597 343012175 /nfs/dbraw/zinc/01/21/75/343012175.db2.gz HDIFEXJSRPMBDS-MWLCHTKSSA-N 0 2 246.285 2.883 20 0 BFADLN CCC1=NN(c2cc(F)ccc2C)C(=O)[C@H]1C ZINC000634616059 343012626 /nfs/dbraw/zinc/01/26/26/343012626.db2.gz ZHGSLKCPGCFVGT-VIFPVBQESA-N 0 2 234.274 2.883 20 0 BFADLN CC1=NN(C2CCC(C)(C)CC2)C(=O)C1 ZINC000634635642 343049602 /nfs/dbraw/zinc/04/96/02/343049602.db2.gz JRPLNCRCXAKRPH-UHFFFAOYSA-N 0 2 208.305 2.563 20 0 BFADLN CC[C@@H](SC)c1nc(C(C)(C)OC)no1 ZINC000350505583 136361686 /nfs/dbraw/zinc/36/16/86/136361686.db2.gz ZCUWWDSOKAHOMW-SSDOTTSWSA-N 0 2 230.333 2.765 20 0 BFADLN CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CF ZINC000351103343 136367902 /nfs/dbraw/zinc/36/79/02/136367902.db2.gz QZSPAVOYNHVAID-AXFHLTTASA-N 0 2 230.327 2.612 20 0 BFADLN CCCC[C@H](CC)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436139 343733558 /nfs/dbraw/zinc/73/35/58/343733558.db2.gz FRVFLSLTQPAMOL-LBPRGKRZSA-N 0 2 235.375 2.984 20 0 BFADLN O=C1CC(c2ccncc2)=NN1C1CCCC1 ZINC000409436997 343841705 /nfs/dbraw/zinc/84/17/05/343841705.db2.gz CZYISPXPQHTJDI-UHFFFAOYSA-N 0 2 229.283 2.766 20 0 BFADLN O=c1cc(-c2ccncc2)[nH]n1C1CCCC1 ZINC000409436997 343841706 /nfs/dbraw/zinc/84/17/06/343841706.db2.gz CZYISPXPQHTJDI-UHFFFAOYSA-N 0 2 229.283 2.766 20 0 BFADLN CN(C[C@@H]1CC=CCC1)c1cccc(C(=O)[O-])[nH+]1 ZINC000402858051 529945297 /nfs/dbraw/zinc/94/52/97/529945297.db2.gz YQMADMPARVECKQ-LLVKDONJSA-N 0 2 246.310 2.572 20 0 BFADLN O=C([O-])c1ccc(N[C@H]2CCCC23CC3)[nH+]c1 ZINC000634964454 345134533 /nfs/dbraw/zinc/13/45/33/345134533.db2.gz YWRPUHCJDSTYPQ-JTQLQIEISA-N 0 2 232.283 2.524 20 0 BFADLN C1CC12C[C@H]2Nc1nc(C2CCCCC2)ns1 ZINC000425272376 192087070 /nfs/dbraw/zinc/08/70/70/192087070.db2.gz KLBYIWXBARCYTO-SNVBAGLBSA-N 0 2 249.383 2.972 20 0 BFADLN CC[C@@H](Nc1nc(C)ns1)[C@H]1CC1(C)C ZINC000418997838 192096891 /nfs/dbraw/zinc/09/68/91/192096891.db2.gz PCDBKRQVJMQZRD-RKDXNWHRSA-N 0 2 225.361 2.505 20 0 BFADLN C[C@H](Sc1n[nH]c(=O)[nH]1)c1ccc(F)cc1 ZINC000187648918 346594294 /nfs/dbraw/zinc/59/42/94/346594294.db2.gz PFYMGRFSEJELGQ-LURJTMIESA-N 0 2 239.275 2.503 20 0 BFADLN CC(C)c1n[nH]c(=NCCCC2CC2)s1 ZINC000380101151 365880840 /nfs/dbraw/zinc/88/08/40/365880840.db2.gz LUVJKMNNSMNKMH-UHFFFAOYSA-N 0 2 225.361 2.686 20 0 BFADLN Cc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000054763558 179321226 /nfs/dbraw/zinc/32/12/26/179321226.db2.gz ONFXFHMMMJSLMG-LLVKDONJSA-N 0 2 215.300 2.569 20 0 BFADLN C1CC1c1nsc(N[C@H]2CC23CCCCC3)n1 ZINC000356791733 187395725 /nfs/dbraw/zinc/39/57/25/187395725.db2.gz JNJUEZBWZHEYPK-JTQLQIEISA-N 0 2 249.383 2.972 20 0 BFADLN CC(C)N1N=C(c2ccsc2)CC1=O ZINC000409437498 350481214 /nfs/dbraw/zinc/48/12/14/350481214.db2.gz HGVXCFWTPVLMIC-UHFFFAOYSA-N 0 2 208.286 2.898 20 0 BFADLN CC(C)n1[nH]c(-c2ccsc2)cc1=O ZINC000409437498 350481217 /nfs/dbraw/zinc/48/12/17/350481217.db2.gz HGVXCFWTPVLMIC-UHFFFAOYSA-N 0 2 208.286 2.898 20 0 BFADLN Cc1nnc(NC(=O)/C=C2\CC[C@@H](C)C2)s1 ZINC000267856384 180429282 /nfs/dbraw/zinc/42/92/82/180429282.db2.gz MOQNBWJDUADHKL-TUOMEMKJSA-N 0 2 237.328 2.531 20 0 BFADLN O=c1[nH]nc(SCc2sccc2Cl)[nH]1 ZINC000334231304 352848999 /nfs/dbraw/zinc/84/89/99/352848999.db2.gz LETIGQFWFWYYKD-UHFFFAOYSA-N 0 2 247.732 2.518 20 0 BFADLN CCn1c[nH+]cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000334598078 354232882 /nfs/dbraw/zinc/23/28/82/354232882.db2.gz UPDOALJTTYBOBQ-TZMCWYRMSA-N 0 2 233.359 2.668 20 0 BFADLN C[C@@H]1COCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000351894554 356163923 /nfs/dbraw/zinc/16/39/23/356163923.db2.gz XXRDUNNHYMQYOW-ZZKXABKFSA-N 0 2 235.302 2.560 20 0 BFADLN C1CCC(Nc2nc(C3CCCC3)ns2)C1 ZINC000420583732 192247004 /nfs/dbraw/zinc/24/70/04/192247004.db2.gz LDTNSQGMURADNH-UHFFFAOYSA-N 0 2 237.372 2.972 20 0 BFADLN CC(C)CCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000450060815 202073791 /nfs/dbraw/zinc/07/37/91/202073791.db2.gz XBKPTAWENPDSIN-UHFFFAOYSA-N 0 2 246.314 2.723 20 0 BFADLN CC(C)(CN=c1[nH]ncs1)C1CCCC1 ZINC000450405594 202156006 /nfs/dbraw/zinc/15/60/06/202156006.db2.gz PFYJZANJGNXJKA-UHFFFAOYSA-N 0 2 225.361 2.588 20 0 BFADLN Cc1ccc2c(c1)[C@H](N=c1[nH]ncs1)[C@H](C)C2 ZINC000450431627 202166798 /nfs/dbraw/zinc/16/67/98/202166798.db2.gz AOZDSIWDPXRKTO-BXKDBHETSA-N 0 2 245.351 2.614 20 0 BFADLN C[C@H](CC1CCCCC1)N=c1[nH]ncs1 ZINC000450483569 202180867 /nfs/dbraw/zinc/18/08/67/202180867.db2.gz JOWBZBPRMMHLCX-SECBINFHSA-N 0 2 225.361 2.731 20 0 BFADLN c1n[nH]c(=NCC2CC(c3ccccc3)C2)s1 ZINC000450508834 202188519 /nfs/dbraw/zinc/18/85/19/202188519.db2.gz FLNXZTPIVLZMDY-UHFFFAOYSA-N 0 2 245.351 2.566 20 0 BFADLN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)o1 ZINC000050508116 358733188 /nfs/dbraw/zinc/73/31/88/358733188.db2.gz FKTSVSINWNGTRK-ZDUSSCGKSA-N 0 2 245.278 2.504 20 0 BFADLN CC(C)c1ccc(CCN=c2[nH]ncs2)cc1 ZINC000578484229 366577503 /nfs/dbraw/zinc/57/75/03/366577503.db2.gz XVZDJRMUCNTEKI-UHFFFAOYSA-N 0 2 247.367 2.738 20 0 BFADLN CCC[C@@H]1CCCC[C@@H]1N=c1[nH]ncs1 ZINC000578593962 366603434 /nfs/dbraw/zinc/60/34/34/366603434.db2.gz RKOKFPAZRXOZTE-ZJUUUORDSA-N 0 2 225.361 2.731 20 0 BFADLN C[C@@H]1CC[C@@H]1[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000579069104 366700715 /nfs/dbraw/zinc/70/07/15/366700715.db2.gz CTTKXYPZUHUVMR-WXHSDQCUSA-N 0 2 248.374 2.814 20 0 BFADLN C[C@H](Sc1n[nH]c(=O)[nH]1)c1ccccc1F ZINC000194624681 367313697 /nfs/dbraw/zinc/31/36/97/367313697.db2.gz ZWKRDRINKCRDOX-LURJTMIESA-N 0 2 239.275 2.503 20 0 BFADLN O=C(NCC1=CCCCC1)[C@@H](F)C(F)(F)F ZINC000295814441 182134094 /nfs/dbraw/zinc/13/40/94/182134094.db2.gz ONYJNHUMEMIHQO-MRVPVSSYSA-N 0 2 239.212 2.503 20 0 BFADLN O=C(NCC1=CCCCC1)C(F)C(F)(F)F ZINC000295814441 182134095 /nfs/dbraw/zinc/13/40/95/182134095.db2.gz ONYJNHUMEMIHQO-MRVPVSSYSA-N 0 2 239.212 2.503 20 0 BFADLN c1ccc(-c2nsc(NCC3CCC3)n2)cc1 ZINC000355819458 183381629 /nfs/dbraw/zinc/38/16/29/183381629.db2.gz NNYLJFBYTDZLFA-UHFFFAOYSA-N 0 2 245.351 2.839 20 0 BFADLN CCC[C@@H](Nc1ccc2ccccc2[nH+]1)C(=O)[O-] ZINC000036838513 169404094 /nfs/dbraw/zinc/40/40/94/169404094.db2.gz KAEWLKGADLZZOV-GFCCVEGCSA-N 0 2 244.294 2.900 20 0 BFADLN CC(C)CONC(=O)C1(c2ccccc2)CCC1 ZINC000135340874 384436623 /nfs/dbraw/zinc/43/66/23/384436623.db2.gz TWJLLZVSLLCGTR-UHFFFAOYSA-N 0 2 247.338 2.812 20 0 BFADLN CC(F)(F)CCNc1nc(C(C)(C)C)ns1 ZINC000357755804 384688105 /nfs/dbraw/zinc/68/81/05/384688105.db2.gz DFEHHJBXLCNLPP-UHFFFAOYSA-N 0 2 249.330 2.715 20 0 BFADLN CC(F)(F)CCN=c1nc(C(C)(C)C)[nH]s1 ZINC000357755804 384688107 /nfs/dbraw/zinc/68/81/07/384688107.db2.gz DFEHHJBXLCNLPP-UHFFFAOYSA-N 0 2 249.330 2.715 20 0 BFADLN C[C@H]1CCN(c2[nH+]cccc2C(=O)[O-])C[C@@H](C)C1 ZINC000647446985 385034198 /nfs/dbraw/zinc/03/41/98/385034198.db2.gz CSBXFFAGZDFJRN-QWRGUYRKSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@@H]1CC2(CCC2)CN1c1[nH+]cccc1C(=O)[O-] ZINC000647453287 385040415 /nfs/dbraw/zinc/04/04/15/385040415.db2.gz ASUGHXIWQDMNLN-SNVBAGLBSA-N 0 2 246.310 2.549 20 0 BFADLN C[C@H]1CC2(CCC2)CN1c1ccc(C(=O)[O-])c[nH+]1 ZINC000647453815 385040781 /nfs/dbraw/zinc/04/07/81/385040781.db2.gz VKOGBXGDCQCCSA-JTQLQIEISA-N 0 2 246.310 2.549 20 0 BFADLN C[C@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1(C)C ZINC000647452692 385040960 /nfs/dbraw/zinc/04/09/60/385040960.db2.gz IFDMQLVLRVNMKP-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN Cc1[nH]ncc1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000179909356 385500232 /nfs/dbraw/zinc/50/02/32/385500232.db2.gz JEDKWNIBYKFSLP-OAHLLOKOSA-N 0 2 241.338 2.837 20 0 BFADLN CC/C=C\CCSc1n[n-]c(=[NH2+])n1C(C)C ZINC000336654322 385723493 /nfs/dbraw/zinc/72/34/93/385723493.db2.gz GQUDKVNWHOCNDA-WAYWQWQTSA-N 0 2 240.376 2.720 20 0 BFADLN Cc1n[nH]c(=N[C@@H]2CC[C@@H]3CCC[C@H]3C2)s1 ZINC000336711158 385800693 /nfs/dbraw/zinc/80/06/93/385800693.db2.gz SADMUOOTXMJJAH-GARJFASQSA-N 0 2 237.372 2.649 20 0 BFADLN CC(C)(C)[C@H]1CCC[C@@H]1N=c1[nH]ncs1 ZINC000413585246 385847629 /nfs/dbraw/zinc/84/76/29/385847629.db2.gz UOCIMNGSIGHGJM-IUCAKERBSA-N 0 2 225.361 2.587 20 0 BFADLN C[C@@H](CSc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000338567176 386054994 /nfs/dbraw/zinc/05/49/94/386054994.db2.gz OIYHAACYYGTVBE-QMMMGPOBSA-N 0 2 241.360 2.819 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@H](C)CC(F)F)s1 ZINC000645305576 386196365 /nfs/dbraw/zinc/19/63/65/386196365.db2.gz YWLGFMQNCPUIIL-SSDOTTSWSA-N 0 2 249.330 2.787 20 0 BFADLN CCONC(=O)C1(c2ccccc2C)CCCC1 ZINC000291468422 386548529 /nfs/dbraw/zinc/54/85/29/386548529.db2.gz LLOKJVYFXNCZPI-UHFFFAOYSA-N 0 2 247.338 2.875 20 0 BFADLN Fc1cccc2c1CCC[C@H]2N=c1[nH]ncs1 ZINC000334793141 386859580 /nfs/dbraw/zinc/85/95/80/386859580.db2.gz MKKWKFOMACDXCP-LLVKDONJSA-N 0 2 249.314 2.589 20 0 BFADLN c1cc(O[C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc[nH+]1 ZINC000334978596 387064819 /nfs/dbraw/zinc/06/48/19/387064819.db2.gz NFFOEFNPYGFHES-DZGCQCFKSA-N 0 2 244.338 2.643 20 0 BFADLN Cc1ccoc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000229477550 387174881 /nfs/dbraw/zinc/17/48/81/387174881.db2.gz RHPCDRUEOJATGR-CYBMUJFWSA-N 0 2 245.278 2.504 20 0 BFADLN CCCc1nsc(N[C@H]2CCC[C@H](F)C2)n1 ZINC000515379413 387370829 /nfs/dbraw/zinc/37/08/29/387370829.db2.gz XPBAJQQTJQMMAQ-IUCAKERBSA-N 0 2 243.351 2.605 20 0 BFADLN CC[C@H](CC(=O)N=c1cc(C)c(C)n[nH]1)C(C)C ZINC000524512317 388364102 /nfs/dbraw/zinc/36/41/02/388364102.db2.gz OTWOFPMYAHPKTG-GFCCVEGCSA-N 0 2 249.358 2.526 20 0 BFADLN Cc1n[nH]c(=NC[C@@H]2CCCC2(C)C)s1 ZINC000338811495 388478703 /nfs/dbraw/zinc/47/87/03/388478703.db2.gz OXIAXDVELSCNHD-VIFPVBQESA-N 0 2 225.361 2.507 20 0 BFADLN C[C@H]1CCN(c2cccc(C(=O)[O-])[nH+]2)C[C@H](C)C1 ZINC000263531754 135358312 /nfs/dbraw/zinc/35/83/12/135358312.db2.gz WXBVWCSNCMEVGG-WDEREUQCSA-N 0 2 248.326 2.652 20 0 BFADLN CNc1cc(F)cc(Br)c1F ZINC000306288410 135370536 /nfs/dbraw/zinc/37/05/36/135370536.db2.gz MQELBOACFWOFSD-UHFFFAOYSA-N 0 2 222.032 2.769 20 0 BFADLN CCC1(Nc2nc(C3CC3)ns2)CCCC1 ZINC000382568857 397960003 /nfs/dbraw/zinc/96/00/03/397960003.db2.gz PCNYXNAMEKXNGO-UHFFFAOYSA-N 0 2 237.372 2.972 20 0 BFADLN C[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1(C)C ZINC000650768010 410416701 /nfs/dbraw/zinc/41/67/01/410416701.db2.gz LNLZEKHWDFLDJZ-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)=CCCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000397760035 410934018 /nfs/dbraw/zinc/93/40/18/410934018.db2.gz JXYHQQVBARDFLN-UHFFFAOYSA-N 0 2 220.272 2.548 20 0 BFADLN Cc1ccc(CNc2[nH+]cccc2C(=O)[O-])s1 ZINC000048337210 411189636 /nfs/dbraw/zinc/18/96/36/411189636.db2.gz CYQKFCKRBNCOAO-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN CCC[C@H](C)NC(=O)c1c(O)cc(F)cc1F ZINC000049446264 411234071 /nfs/dbraw/zinc/23/40/71/411234071.db2.gz FIUXEKWBODJCQP-ZETCQYMHSA-N 0 2 243.253 2.589 20 0 BFADLN O=C(Nc1ccccc1)c1c(O)cc(F)cc1F ZINC000049446212 411234117 /nfs/dbraw/zinc/23/41/17/411234117.db2.gz CGKFNGMHBBTGRM-UHFFFAOYSA-N 0 2 249.216 2.923 20 0 BFADLN CCC(CC)CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000130402399 411254974 /nfs/dbraw/zinc/25/49/74/411254974.db2.gz XAVVMJBUSIGEGX-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN CCC(C)(C)CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000337879127 168274249 /nfs/dbraw/zinc/27/42/49/168274249.db2.gz QGFKNGBYXARNQK-UHFFFAOYSA-N 0 2 246.314 2.723 20 0 BFADLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000277626319 175844903 /nfs/dbraw/zinc/84/49/03/175844903.db2.gz YPJJLYWXPCVNFN-APPZFPTMSA-N 0 2 249.207 2.764 20 0 BFADLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000277626319 175844904 /nfs/dbraw/zinc/84/49/04/175844904.db2.gz YPJJLYWXPCVNFN-APPZFPTMSA-N 0 2 249.207 2.764 20 0 BFADLN C[C@@H]1CCC[C@H](CCSc2n[nH]c(=O)[nH]2)C1 ZINC000338405140 176137361 /nfs/dbraw/zinc/13/73/61/176137361.db2.gz BUADIIQCAMMKCU-RKDXNWHRSA-N 0 2 241.360 2.819 20 0 BFADLN CC[C@@H]1CCCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000079350834 487638347 /nfs/dbraw/zinc/63/83/47/487638347.db2.gz SDMCMOZQHMVCJL-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN Cc1nc(O[C@@H]2CCC[C@H](C)C2)c(F)c(=O)[nH]1 ZINC001226424886 974894598 /nfs/dbraw/zinc/89/45/98/974894598.db2.gz SOAIOSMWMAPEPB-IONNQARKSA-N 0 2 240.278 2.587 20 0 BFADLN CC(C)CN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC000764153936 585460655 /nfs/dbraw/zinc/46/06/55/585460655.db2.gz XMWQITGRPWAMHB-QMMMGPOBSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C1 ZINC000810467665 586539595 /nfs/dbraw/zinc/53/95/95/586539595.db2.gz XLGSLAHNSCBBKF-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H]1CN(C(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC000810467665 586539596 /nfs/dbraw/zinc/53/95/96/586539596.db2.gz XLGSLAHNSCBBKF-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)c1nsc(N[C@H]2CCC[C@@H](F)C2)n1 ZINC000571555937 323147740 /nfs/dbraw/zinc/14/77/40/323147740.db2.gz FBPUOSCWMPGGSN-BDAKNGLRSA-N 0 2 243.351 2.776 20 0 BFADLN CCC(CC)CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000153737454 326110943 /nfs/dbraw/zinc/11/09/43/326110943.db2.gz DYNBVQBNXVWCJQ-UHFFFAOYSA-N 0 2 246.314 2.723 20 0 BFADLN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667694836 488090399 /nfs/dbraw/zinc/09/03/99/488090399.db2.gz AGRAVXBSQOMCBE-CHWSQXEVSA-N 0 2 247.386 2.697 20 0 BFADLN O=C([O-])c1cc(NCCCC(F)(F)F)cc[nH+]1 ZINC000149513087 487539059 /nfs/dbraw/zinc/53/90/59/487539059.db2.gz YYHFUAHQFKENLI-UHFFFAOYSA-N 0 2 248.204 2.534 20 0 BFADLN c1cn2c(cccc2C[N@@H+]2C[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000668299487 487634207 /nfs/dbraw/zinc/63/42/07/487634207.db2.gz HEQKEKHCZFSPQZ-JSGCOSHPSA-N 0 2 241.338 2.709 20 0 BFADLN Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)n1C ZINC000668047857 488195128 /nfs/dbraw/zinc/19/51/28/488195128.db2.gz NUKBMQJLBLTZMC-UTUOFQBUSA-N 0 2 235.375 2.595 20 0 BFADLN CCc1ccc[nH+]c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679151986 488313925 /nfs/dbraw/zinc/31/39/25/488313925.db2.gz WYRVVUPLQTXSED-DGCLKSJQSA-N 0 2 233.359 2.539 20 0 BFADLN CC(C)=CCCNc1cccc(C(=O)[O-])[nH+]1 ZINC000263409016 535357980 /nfs/dbraw/zinc/35/79/80/535357980.db2.gz LQLYSYOQEVKGKO-UHFFFAOYSA-N 0 2 220.272 2.548 20 0 BFADLN CC[C@@H](C)N(CC)C(=O)[C@H](F)C(F)(F)F ZINC000855146561 588824215 /nfs/dbraw/zinc/82/42/15/588824215.db2.gz XZWIPLXSPIHUNI-RQJHMYQMSA-N 0 2 229.217 2.534 20 0 BFADLN CC[C@@H](C)N(CC)C(=O)C(F)C(F)(F)F ZINC000855146561 588824216 /nfs/dbraw/zinc/82/42/16/588824216.db2.gz XZWIPLXSPIHUNI-RQJHMYQMSA-N 0 2 229.217 2.534 20 0 BFADLN CC[C@@H](C)N(CC)C(=O)[C@@H](F)C(F)(F)F ZINC000855146559 588824299 /nfs/dbraw/zinc/82/42/99/588824299.db2.gz XZWIPLXSPIHUNI-RNFRBKRXSA-N 0 2 229.217 2.534 20 0 BFADLN CC[C@@H](C)N(CC)C(=O)C(F)C(F)(F)F ZINC000855146559 588824300 /nfs/dbraw/zinc/82/43/00/588824300.db2.gz XZWIPLXSPIHUNI-RNFRBKRXSA-N 0 2 229.217 2.534 20 0 BFADLN Cc1[nH]nc(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1C ZINC000894444366 583461025 /nfs/dbraw/zinc/46/10/25/583461025.db2.gz HUWNMJRMAXFIIS-SNVBAGLBSA-N 0 2 235.375 2.895 20 0 BFADLN Cc1[nH]nc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1C ZINC000894567103 583485116 /nfs/dbraw/zinc/48/51/16/583485116.db2.gz QHDKPYFZNWGYBW-JTQLQIEISA-N 0 2 233.359 2.791 20 0 BFADLN CC1=NN(c2ccc(Cl)cc2F)C(=O)[C@H]1C ZINC000899359895 584206868 /nfs/dbraw/zinc/20/68/68/584206868.db2.gz CBFSHMSEUJTUCO-LURJTMIESA-N 0 2 240.665 2.838 20 0 BFADLN C[C@H]([NH2+]c1ccc(OCC(=O)[O-])cc1)C1CCC1 ZINC000901720156 584483419 /nfs/dbraw/zinc/48/34/19/584483419.db2.gz OZZVHLBEDXXOJK-JTQLQIEISA-N 0 2 249.310 2.751 20 0 BFADLN C[C@H]1CC[C@H]([NH2+]c2ccc(OCC(=O)[O-])cc2)C1 ZINC000901719654 584483473 /nfs/dbraw/zinc/48/34/73/584483473.db2.gz JKVXNWZQISXSMT-JQWIXIFHSA-N 0 2 249.310 2.751 20 0 BFADLN CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901717442 584488162 /nfs/dbraw/zinc/48/81/62/584488162.db2.gz QTKFIKLSAGXTOK-MFKMUULPSA-N 0 2 249.310 2.751 20 0 BFADLN CCOc1ccc([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000902051403 584517839 /nfs/dbraw/zinc/51/78/39/584517839.db2.gz ILZOUEZXZJDPTK-JIMOISOXSA-N 0 2 249.310 2.606 20 0 BFADLN Oc1c(Cl)cccc1-c1nc(C2CC2)no1 ZINC000758280054 584905254 /nfs/dbraw/zinc/90/52/54/584905254.db2.gz VPOXLNJWIKXRIZ-UHFFFAOYSA-N 0 2 236.658 2.973 20 0 BFADLN CC[C@H](C)OC(=O)c1cc(F)c(O)c(F)c1 ZINC000759544025 584906892 /nfs/dbraw/zinc/90/68/92/584906892.db2.gz ACJAECYMZSCOTH-LURJTMIESA-N 0 2 230.210 2.626 20 0 BFADLN CC(C)N(C(=O)[C@H](F)C(F)(F)F)C(C)C ZINC000788128176 585083813 /nfs/dbraw/zinc/08/38/13/585083813.db2.gz ULUPNBKBLHZGNK-ZETCQYMHSA-N 0 2 229.217 2.532 20 0 BFADLN CC(C)N(C(=O)C(F)C(F)(F)F)C(C)C ZINC000788128176 585083814 /nfs/dbraw/zinc/08/38/14/585083814.db2.gz ULUPNBKBLHZGNK-ZETCQYMHSA-N 0 2 229.217 2.532 20 0 BFADLN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H](F)C(F)(F)F ZINC000788134958 585094517 /nfs/dbraw/zinc/09/45/17/585094517.db2.gz WZJUUTWRBDHUIF-RNJXMRFFSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCC[C@H](C)N1C(=O)C(F)C(F)(F)F ZINC000788134958 585094518 /nfs/dbraw/zinc/09/45/18/585094518.db2.gz WZJUUTWRBDHUIF-RNJXMRFFSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@H]1CCC(C)(C)N1C(=O)[C@H](F)C(F)(F)F ZINC000839432876 585103689 /nfs/dbraw/zinc/10/36/89/585103689.db2.gz CFZQNTAGGJJTBH-BQBZGAKWSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@H]1CCC(C)(C)N1C(=O)C(F)C(F)(F)F ZINC000839432876 585103690 /nfs/dbraw/zinc/10/36/90/585103690.db2.gz CFZQNTAGGJJTBH-BQBZGAKWSA-N 0 2 241.228 2.676 20 0 BFADLN O=C(OC/C=C/Cl)c1cc(F)c(O)c(F)c1 ZINC000759541060 585375216 /nfs/dbraw/zinc/37/52/16/585375216.db2.gz OUBNHCXJCKQJKV-OWOJBTEDSA-N 0 2 248.612 2.580 20 0 BFADLN O=C(OC/C=C\Cl)c1cc(F)c(O)c(F)c1 ZINC000759541068 585375347 /nfs/dbraw/zinc/37/53/47/585375347.db2.gz OUBNHCXJCKQJKV-UPHRSURJSA-N 0 2 248.612 2.580 20 0 BFADLN CC[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000763897232 585456444 /nfs/dbraw/zinc/45/64/44/585456444.db2.gz XBAIDQRNKFXYEN-JGVFFNPUSA-N 0 2 241.228 2.678 20 0 BFADLN CC[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000763897232 585456445 /nfs/dbraw/zinc/45/64/45/585456445.db2.gz XBAIDQRNKFXYEN-JGVFFNPUSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC000763921673 585457167 /nfs/dbraw/zinc/45/71/67/585457167.db2.gz VOPKXZGFEOCVKD-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC000763921673 585457168 /nfs/dbraw/zinc/45/71/68/585457168.db2.gz VOPKXZGFEOCVKD-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)CN(C(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC000764153936 585460654 /nfs/dbraw/zinc/46/06/54/585460654.db2.gz XMWQITGRPWAMHB-QMMMGPOBSA-N 0 2 241.228 2.534 20 0 BFADLN CCCCSCC(=O)NOC1CCCCC1 ZINC000779321253 585751158 /nfs/dbraw/zinc/75/11/58/585751158.db2.gz HATGPFMIDQDHBX-UHFFFAOYSA-N 0 2 245.388 2.900 20 0 BFADLN CC[C@H](C)CONC(=O)[C@@H](C)c1ccc(C)o1 ZINC000794843578 586050369 /nfs/dbraw/zinc/05/03/69/586050369.db2.gz SCMHQCPCDCFAIG-ONGXEEELSA-N 0 2 239.315 2.785 20 0 BFADLN O=C(NCC1CCCCC1)[C@@H](F)C(F)(F)F ZINC000809952538 586525482 /nfs/dbraw/zinc/52/54/82/586525482.db2.gz AIKOQIVAYUYMGJ-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCC1CCCCC1)C(F)C(F)(F)F ZINC000809952538 586525483 /nfs/dbraw/zinc/52/54/83/586525483.db2.gz AIKOQIVAYUYMGJ-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN CC1(C)CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000810322743 586538408 /nfs/dbraw/zinc/53/84/08/586538408.db2.gz YPWBPKHEALTAHG-ZETCQYMHSA-N 0 2 241.228 2.535 20 0 BFADLN CC1(C)CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000810322743 586538409 /nfs/dbraw/zinc/53/84/09/586538409.db2.gz YPWBPKHEALTAHG-ZETCQYMHSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C(C)(C)C ZINC000810408330 586538790 /nfs/dbraw/zinc/53/87/90/586538790.db2.gz CYZHXYZWCGBBGI-RNFRBKRXSA-N 0 2 243.244 2.685 20 0 BFADLN C[C@H](CNC(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810408330 586538791 /nfs/dbraw/zinc/53/87/91/586538791.db2.gz CYZHXYZWCGBBGI-RNFRBKRXSA-N 0 2 243.244 2.685 20 0 BFADLN CC1(C)CCC[C@@H]1NC(=O)[C@H](F)C(F)(F)F ZINC000810485783 586539892 /nfs/dbraw/zinc/53/98/92/586539892.db2.gz DELQQASFNHZKQU-BQBZGAKWSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CCC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC000810485783 586539893 /nfs/dbraw/zinc/53/98/93/586539893.db2.gz DELQQASFNHZKQU-BQBZGAKWSA-N 0 2 241.228 2.582 20 0 BFADLN CCC(C)(C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000815656951 586690833 /nfs/dbraw/zinc/69/08/33/586690833.db2.gz KFOVRVGVJYSSMO-LURJTMIESA-N 0 2 229.217 2.534 20 0 BFADLN CCC(C)(C)N(C)C(=O)C(F)C(F)(F)F ZINC000815656951 586690834 /nfs/dbraw/zinc/69/08/34/586690834.db2.gz KFOVRVGVJYSSMO-LURJTMIESA-N 0 2 229.217 2.534 20 0 BFADLN CN(C(=O)[C@H](F)C(F)(F)F)C1(C)CCCC1 ZINC000816519501 586738533 /nfs/dbraw/zinc/73/85/33/586738533.db2.gz LOSNSZQAOPAZEB-ZETCQYMHSA-N 0 2 241.228 2.678 20 0 BFADLN CN(C(=O)C(F)C(F)(F)F)C1(C)CCCC1 ZINC000816519501 586738534 /nfs/dbraw/zinc/73/85/34/586738534.db2.gz LOSNSZQAOPAZEB-ZETCQYMHSA-N 0 2 241.228 2.678 20 0 BFADLN CC(C)CCSCC(=O)NOCCC1CC1 ZINC000817393065 586800757 /nfs/dbraw/zinc/80/07/57/586800757.db2.gz IPAPXFVIDUXCSH-UHFFFAOYSA-N 0 2 245.388 2.614 20 0 BFADLN Cc1ccc([NH2+]C[C@@H]2CCCOC2)cc1C(=O)[O-] ZINC000832951128 587695522 /nfs/dbraw/zinc/69/55/22/587695522.db2.gz DZAYDPCDABXTJH-NSHDSACASA-N 0 2 249.310 2.532 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C/C=C\c1ccccc1 ZINC000832996576 587697208 /nfs/dbraw/zinc/69/72/08/587697208.db2.gz XXSCSFIAYFWSLL-YVMONPNESA-N 0 2 242.278 2.603 20 0 BFADLN CCOCc1nc(=O)c2c(C)sc(C)c2[nH]1 ZINC000864354206 589354892 /nfs/dbraw/zinc/35/48/92/589354892.db2.gz AARSMVJOGNMUDP-UHFFFAOYSA-N 0 2 238.312 2.550 20 0 BFADLN CC(C)(C)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000864493183 589374509 /nfs/dbraw/zinc/37/45/09/589374509.db2.gz XPYIKIMGAXEKFR-UHFFFAOYSA-N 0 2 249.232 2.756 20 0 BFADLN CC(C)CCC1=NN(C2CCCC2)C(=O)C1 ZINC000871943546 589837737 /nfs/dbraw/zinc/83/77/37/589837737.db2.gz MDWIYFOXWQSEAQ-UHFFFAOYSA-N 0 2 222.332 2.954 20 0 BFADLN CCCCCC[C@@H](C)n1[nH]c(COC)cc1=O ZINC000871958702 589844794 /nfs/dbraw/zinc/84/47/94/589844794.db2.gz DYXBQOFUWUORDW-LLVKDONJSA-N 0 2 240.347 2.580 20 0 BFADLN CC(C)CCC1=NN([C@@H]2CCSC2)C(=O)C1 ZINC000871959668 589845462 /nfs/dbraw/zinc/84/54/62/589845462.db2.gz OVDIZWGUWHXSTP-LLVKDONJSA-N 0 2 240.372 2.516 20 0 BFADLN C[C@@]1(C(=O)NOc2ccccc2F)CC=CCC1 ZINC000874911174 590154517 /nfs/dbraw/zinc/15/45/17/590154517.db2.gz OBVDDNLVZKSGRQ-CQSZACIVSA-N 0 2 249.285 2.982 20 0 BFADLN CCC[C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC000881532490 591231462 /nfs/dbraw/zinc/23/14/62/591231462.db2.gz RBBDQOOAHQEONP-SFYZADRCSA-N 0 2 243.244 2.829 20 0 BFADLN CCC[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC000881532490 591231463 /nfs/dbraw/zinc/23/14/63/591231463.db2.gz RBBDQOOAHQEONP-SFYZADRCSA-N 0 2 243.244 2.829 20 0 BFADLN C[C@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000309736948 601220911 /nfs/dbraw/zinc/22/09/11/601220911.db2.gz GSNNZLKWNICOOT-KCJUWKMLSA-N 0 2 239.702 2.560 20 0 BFADLN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000309736948 601220908 /nfs/dbraw/zinc/22/09/08/601220908.db2.gz GSNNZLKWNICOOT-KCJUWKMLSA-N 0 2 239.702 2.560 20 0 BFADLN CCc1ccc(Cn2cc(C(=O)[O-])[nH+]c2C)cc1 ZINC000071558906 601639092 /nfs/dbraw/zinc/63/90/92/601639092.db2.gz RUKAXASVSFBJFM-UHFFFAOYSA-N 0 2 244.294 2.500 20 0 BFADLN C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000725887468 633871528 /nfs/dbraw/zinc/87/15/28/633871528.db2.gz OWJSBHQEDQAGOB-HTRCEHHLSA-N 0 2 247.216 2.582 20 0 BFADLN Fc1cc(Nc2nnco2)cc(F)c1Cl ZINC001210841188 957914860 /nfs/dbraw/zinc/91/48/60/957914860.db2.gz JJQMBWYTBQRMNA-UHFFFAOYSA-N 0 2 231.589 2.745 20 0 BFADLN C[C@@H]1COCC[C@@H]1Oc1ccc(S)cc1 ZINC001225557557 962254668 /nfs/dbraw/zinc/25/46/68/962254668.db2.gz HONFAJFDSOJBMG-SKDRFNHKSA-N 0 2 224.325 2.779 20 0 BFADLN CC[C@@H](C)C[C@@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225881848 962890417 /nfs/dbraw/zinc/89/04/17/962890417.db2.gz NXQCQUKVQHUPFZ-RKDXNWHRSA-N 0 2 242.294 2.915 20 0 BFADLN CC(C)(O)C=CNc1ccccc1S ZINC001203217476 963163632 /nfs/dbraw/zinc/16/36/32/963163632.db2.gz RDLHNBSGJHJRFM-BQYQJAHWSA-N 0 2 209.314 2.672 20 0 BFADLN Nc1cc(-c2ccc([S-])cc2F)cc[nH+]1 ZINC001241170249 968944764 /nfs/dbraw/zinc/94/47/64/968944764.db2.gz ZAXHEHGHBKWIFG-UHFFFAOYSA-N 0 2 220.272 2.759 20 0 BFADLN Cc1ccnnc1-c1cccc(Cl)c1O ZINC001242363249 983652424 /nfs/dbraw/zinc/65/24/24/983652424.db2.gz ZPVRRMBKVXNWSH-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN Nc1[nH+]cccc1-c1ccc2oc(=S)[n-]c2c1 ZINC001243477037 970772458 /nfs/dbraw/zinc/77/24/58/970772458.db2.gz YFPUNANLKILFPZ-UHFFFAOYSA-N 0 2 243.291 2.761 20 0 BFADLN CC1(C)CN(C(=O)C(F)C(F)(F)F)C1(C)C ZINC001329990067 974067107 /nfs/dbraw/zinc/06/71/07/974067107.db2.gz CERZXTGTNZANPW-LURJTMIESA-N 0 2 241.228 2.534 20 0 BFADLN CC1(C)CN(C(=O)[C@H](F)C(F)(F)F)C1(C)C ZINC001329990067 974067117 /nfs/dbraw/zinc/06/71/17/974067117.db2.gz CERZXTGTNZANPW-LURJTMIESA-N 0 2 241.228 2.534 20 0 BFADLN Nc1cn(-c2cccc(S)c2)c2cccnc12 ZINC001210945445 957953953 /nfs/dbraw/zinc/95/39/53/957953953.db2.gz SAIDOSIHZOOKBL-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN CC(C)c1nsc(N[C@H]2C[C@]2(C)C(C)C)n1 ZINC000397305542 960460263 /nfs/dbraw/zinc/46/02/63/960460263.db2.gz PWZYNSODWIDGGJ-JOYOIKCWSA-N 0 2 239.388 2.930 20 0 BFADLN C[C@@H]1CCC[C@@H](C)C1Oc1nc(=O)[nH]cc1F ZINC001225886127 962894853 /nfs/dbraw/zinc/89/48/53/962894853.db2.gz UATWOZFZQGIWIC-HTQZYQBOSA-N 0 2 240.278 2.525 20 0 BFADLN C[C@@H]1CCC[C@H](C)[C@H]1Oc1nc(=O)[nH]cc1F ZINC001225886129 962896661 /nfs/dbraw/zinc/89/66/61/962896661.db2.gz UATWOZFZQGIWIC-MBTKJCJQSA-N 0 2 240.278 2.525 20 0 BFADLN COc1cc(NC=CC(C)(C)O)ccc1S ZINC001203225217 966571375 /nfs/dbraw/zinc/57/13/75/966571375.db2.gz DWLQMVVSNXKPFA-VOTSOKGWSA-N 0 2 239.340 2.680 20 0 BFADLN CC(C)c1nnc(Nc2ccn3ccnc3c2)o1 ZINC001204951537 967249603 /nfs/dbraw/zinc/24/96/03/967249603.db2.gz UXQPASQJVXHLOF-UHFFFAOYSA-N 0 2 243.270 2.584 20 0 BFADLN CC(C)c1nnc([N-]c2ccn3cc[nH+]c3c2)o1 ZINC001204951537 967249613 /nfs/dbraw/zinc/24/96/13/967249613.db2.gz UXQPASQJVXHLOF-UHFFFAOYSA-N 0 2 243.270 2.584 20 0 BFADLN O=C([O-])c1sccc1-c1ccc2[nH+]ccn2c1 ZINC001205573257 967703391 /nfs/dbraw/zinc/70/33/91/967703391.db2.gz XMONTEVJCPUINP-UHFFFAOYSA-N 0 2 244.275 2.761 20 0 BFADLN Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)n1C ZINC001206795639 968480443 /nfs/dbraw/zinc/48/04/43/968480443.db2.gz IZYPQDOUOOCQER-ZIAGYGMSSA-N 0 2 247.386 2.741 20 0 BFADLN Cc1nnc(-c2cc(O)c(Cl)c(F)c2F)o1 ZINC001253470891 969189425 /nfs/dbraw/zinc/18/94/25/969189425.db2.gz LNTIELATCGFCJY-UHFFFAOYSA-N 0 2 246.600 2.682 20 0 BFADLN CCCc1nnc(-c2cc(F)c(O)cc2F)o1 ZINC001254032167 969455173 /nfs/dbraw/zinc/45/51/73/969455173.db2.gz SDHHKOCSSLRERE-UHFFFAOYSA-N 0 2 240.209 2.673 20 0 BFADLN Oc1cc(F)c(-c2nnc(C3CC3)o2)cc1F ZINC001254125974 969512456 /nfs/dbraw/zinc/51/24/56/969512456.db2.gz IJNWQYYIBUTPHT-UHFFFAOYSA-N 0 2 238.193 2.598 20 0 BFADLN Cc1ccc(Nc2cccc(CC(=O)[O-])c2)[nH+]c1 ZINC001210068628 969787148 /nfs/dbraw/zinc/78/71/48/969787148.db2.gz DQXFZMKLCIVBKV-UHFFFAOYSA-N 0 2 242.278 2.761 20 0 BFADLN Cc1ccc(C)c(Nc2ccc(C(=O)[O-])nc2)[nH+]1 ZINC001210171134 969818788 /nfs/dbraw/zinc/81/87/88/969818788.db2.gz CJYOUVIPQLCLSN-UHFFFAOYSA-N 0 2 243.266 2.535 20 0 BFADLN Cc1occc1Nc1nonc1C1CC1 ZINC001211239605 970184915 /nfs/dbraw/zinc/18/49/15/970184915.db2.gz OMABXMIUXMHMTA-UHFFFAOYSA-N 0 2 205.217 2.592 20 0 BFADLN C[C@H]1CCC[N@@H+]1Cc1cc(F)c([O-])cc1F ZINC001144646834 972910984 /nfs/dbraw/zinc/91/09/84/972910984.db2.gz MLJNIMRSYRMXJX-QMMMGPOBSA-N 0 2 227.254 2.655 20 0 BFADLN C[C@H]1CCC[N@H+]1Cc1cc(F)c([O-])cc1F ZINC001144646834 972910997 /nfs/dbraw/zinc/91/09/97/972910997.db2.gz MLJNIMRSYRMXJX-QMMMGPOBSA-N 0 2 227.254 2.655 20 0 BFADLN CCCC[C@@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225557188 974552522 /nfs/dbraw/zinc/55/25/22/974552522.db2.gz DKRCXXXTCNFZOX-SSDOTTSWSA-N 0 2 230.695 2.793 20 0 BFADLN C[C@H]1CCCC[C@H]1Oc1nc(Cl)cc(=O)[nH]1 ZINC001225561129 974554918 /nfs/dbraw/zinc/55/49/18/974554918.db2.gz YGKQSFZHJRGGAW-JGVFFNPUSA-N 0 2 242.706 2.793 20 0 BFADLN CC[C@@H](Oc1nc(Cl)cc(=O)[nH]1)C(C)C ZINC001225562975 974556965 /nfs/dbraw/zinc/55/69/65/974556965.db2.gz PGWBSERFYJFBPE-SSDOTTSWSA-N 0 2 230.695 2.649 20 0 BFADLN C[C@@H]1CC[C@H](Oc2nc(=O)[nH]cc2F)C[C@H]1C ZINC001225882890 974715999 /nfs/dbraw/zinc/71/59/99/974715999.db2.gz XHJZDPHOPIKYSB-HLTSFMKQSA-N 0 2 240.278 2.525 20 0 BFADLN CCC[C@H](C)[C@@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225884653 974717035 /nfs/dbraw/zinc/71/70/35/974717035.db2.gz HVIDOZNGACGZJO-WCBMZHEXSA-N 0 2 242.294 2.915 20 0 BFADLN C[C@@H]1CCC[C@H](Oc2nc(=O)[nH]cc2F)[C@H]1C ZINC001225885971 974717860 /nfs/dbraw/zinc/71/78/60/974717860.db2.gz RLYFNKZLKMFUKS-WEDXCCLWSA-N 0 2 240.278 2.525 20 0 BFADLN COc1cncc(Nc2nnc(C(C)(C)C)o2)c1 ZINC001174086861 976350952 /nfs/dbraw/zinc/35/09/52/976350952.db2.gz SNSREQJZXFRUNS-UHFFFAOYSA-N 0 2 248.286 2.514 20 0 BFADLN O=C([O-])c1ccc(NC2CC3(CCC3)C2)[nH+]c1 ZINC000697696558 976859235 /nfs/dbraw/zinc/85/92/35/976859235.db2.gz IBRIYBLQGIIMHR-UHFFFAOYSA-N 0 2 232.283 2.524 20 0 BFADLN Cc1cc(S)ccc1OC1CCOCC1 ZINC001229634984 976923174 /nfs/dbraw/zinc/92/31/74/976923174.db2.gz PQTGRJAHKNNQQS-UHFFFAOYSA-N 0 2 224.325 2.842 20 0 BFADLN Cc1cc(Nc2ccc(S)cc2)n(C)n1 ZINC001174824339 977082177 /nfs/dbraw/zinc/08/21/77/977082177.db2.gz NNMWJMGPUHDSOE-UHFFFAOYSA-N 0 2 219.313 2.761 20 0 BFADLN CCC[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001336141153 977536751 /nfs/dbraw/zinc/53/67/51/977536751.db2.gz KGXGRVOLDGQHDZ-SFYZADRCSA-N 0 2 241.228 2.678 20 0 BFADLN CCC[C@@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001336141153 977536757 /nfs/dbraw/zinc/53/67/57/977536757.db2.gz KGXGRVOLDGQHDZ-SFYZADRCSA-N 0 2 241.228 2.678 20 0 BFADLN Oc1c(F)cc(F)c(Nc2ncco2)c1F ZINC001176664422 978147203 /nfs/dbraw/zinc/14/72/03/978147203.db2.gz YYKCYWHCRUOEFR-UHFFFAOYSA-N 0 2 230.145 2.541 20 0 BFADLN C[C@@H]1CCC[N@@H+]1Cc1cc([O-])c(F)c(F)c1 ZINC001232968207 978365765 /nfs/dbraw/zinc/36/57/65/978365765.db2.gz FQZWWIUFWRDRQR-MRVPVSSYSA-N 0 2 227.254 2.655 20 0 BFADLN C[C@@H]1CCC[N@H+]1Cc1cc([O-])c(F)c(F)c1 ZINC001232968207 978365777 /nfs/dbraw/zinc/36/57/77/978365777.db2.gz FQZWWIUFWRDRQR-MRVPVSSYSA-N 0 2 227.254 2.655 20 0 BFADLN Sc1ccc(CN2CCCCO2)cc1 ZINC001233258860 978517072 /nfs/dbraw/zinc/51/70/72/978517072.db2.gz XGFQTKNNGNBBNW-UHFFFAOYSA-N 0 2 209.314 2.503 20 0 BFADLN Cc1ccc(C[N@@H+]2CCC=C(F)C2)cc1C(=O)[O-] ZINC001600412307 978692512 /nfs/dbraw/zinc/69/25/12/978692512.db2.gz FGFKTCQAPXYFHJ-UHFFFAOYSA-N 0 2 249.285 2.752 20 0 BFADLN Cc1ccc(C[N@H+]2CCC=C(F)C2)cc1C(=O)[O-] ZINC001600412307 978692519 /nfs/dbraw/zinc/69/25/19/978692519.db2.gz FGFKTCQAPXYFHJ-UHFFFAOYSA-N 0 2 249.285 2.752 20 0 BFADLN Cc1ccc(NC[C@@H](C)C2CC2)[nH+]c1C(=O)[O-] ZINC001600459277 978695186 /nfs/dbraw/zinc/69/51/86/978695186.db2.gz KEGMITTXWBDOCY-SECBINFHSA-N 0 2 234.299 2.546 20 0 BFADLN Cc1ccc(NCCCC2CC2)[nH+]c1C(=O)[O-] ZINC001600459001 978695891 /nfs/dbraw/zinc/69/58/91/978695891.db2.gz GXAWCGVEZGMARS-UHFFFAOYSA-N 0 2 234.299 2.690 20 0 BFADLN Cc1sc(C(=O)[O-])cc1COc1cc[nH+]cc1 ZINC001600868006 978739786 /nfs/dbraw/zinc/73/97/86/978739786.db2.gz RPLHLBRHTCZYNH-UHFFFAOYSA-N 0 2 249.291 2.729 20 0 BFADLN Cc1ccc(F)c(-c2ncc3c(n2)CCC3)c1O ZINC001236389996 979575586 /nfs/dbraw/zinc/57/55/86/979575586.db2.gz CCFHQSQFUDNMCB-UHFFFAOYSA-N 0 2 244.269 2.785 20 0 BFADLN Cc1ccc(F)c(-c2ncc(CF)cn2)c1O ZINC001236390736 979576104 /nfs/dbraw/zinc/57/61/04/979576104.db2.gz IAOLEQLDOZFDKY-UHFFFAOYSA-N 0 2 236.221 2.766 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cccc(/C=C/C(=O)[O-])c1 ZINC001240549654 981470703 /nfs/dbraw/zinc/47/07/03/981470703.db2.gz SXSYOHLBGHOMLB-ULMRRKNBSA-N 0 2 229.279 2.660 20 0 BFADLN CC(C)Oc1ccnc(-c2cc(F)ccc2O)n1 ZINC001240693237 981597470 /nfs/dbraw/zinc/59/74/70/981597470.db2.gz IOEPWCBIBXWVND-UHFFFAOYSA-N 0 2 248.257 2.776 20 0 BFADLN Oc1ccc(F)cc1-c1nnc2ccccc2n1 ZINC001240695191 981604751 /nfs/dbraw/zinc/60/47/51/981604751.db2.gz DPQPRPBJCKRNDQ-UHFFFAOYSA-N 0 2 241.225 2.537 20 0 BFADLN O=C([O-])c1ccc(-c2ccn3cc[nH+]c3c2)s1 ZINC001240846442 981883856 /nfs/dbraw/zinc/88/38/56/981883856.db2.gz ALKSSWPGANDGEB-UHFFFAOYSA-N 0 2 244.275 2.761 20 0 BFADLN O=C([O-])c1ccc(-c2ccc3[nH+]ccn3c2)s1 ZINC001240847947 981887301 /nfs/dbraw/zinc/88/73/01/981887301.db2.gz MTADXVMXYPYGJS-UHFFFAOYSA-N 0 2 244.275 2.761 20 0 BFADLN CC(C)c1nccc(-c2ccc3[nH]nnc3c2)n1 ZINC001241937684 983146462 /nfs/dbraw/zinc/14/64/62/983146462.db2.gz BVUUMEKXSQIFCQ-UHFFFAOYSA-N 0 2 239.282 2.538 20 0 BFADLN Cc1cc2ccnc(-c3ccc4nn[nH]c4c3)c2[nH]1 ZINC001241937978 983151178 /nfs/dbraw/zinc/15/11/78/983151178.db2.gz GYGWDVZEVPRANX-UHFFFAOYSA-N 0 2 249.277 2.810 20 0 BFADLN Cc1cc(C)c(Cl)c(Nc2nonc2N)c1 ZINC001201596363 983326173 /nfs/dbraw/zinc/32/61/73/983326173.db2.gz FYAOQJZMJWICPH-UHFFFAOYSA-N 0 2 238.678 2.666 20 0 BFADLN Oc1cc(F)ccc1-c1ncnc2cccnc21 ZINC001242216160 983408665 /nfs/dbraw/zinc/40/86/65/983408665.db2.gz OQUKPJGFNMVDLE-UHFFFAOYSA-N 0 2 241.225 2.537 20 0 BFADLN Oc1cc(F)ccc1-c1ncccc1F ZINC001242216316 983411491 /nfs/dbraw/zinc/41/14/91/983411491.db2.gz IQSWMVWRPZCWOY-UHFFFAOYSA-N 0 2 207.179 2.732 20 0 BFADLN Cc1nc(C)c(F)c(-c2cccc(F)c2O)n1 ZINC001242350048 983618000 /nfs/dbraw/zinc/61/80/00/983618000.db2.gz FEWKMRGTUTYZBI-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN Oc1c(Cl)cccc1-c1nccc2nc[nH]c21 ZINC001242363215 983652076 /nfs/dbraw/zinc/65/20/76/983652076.db2.gz XSKOJESUVWAHFD-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1c(Cl)cccc1-c1ccc2[nH]nnc2c1 ZINC001242364150 983652405 /nfs/dbraw/zinc/65/24/05/983652405.db2.gz DYGABOCPLXUMFP-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Cc1nccnc1-c1cccc(Cl)c1O ZINC001242362740 983653576 /nfs/dbraw/zinc/65/35/76/983653576.db2.gz MXKWWJYSABEWAL-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN OC(=C[C@H](O)C(F)(F)F)c1cccs1 ZINC000201239304 983982443 /nfs/dbraw/zinc/98/24/43/983982443.db2.gz PCGZWDUJVMFOKT-MJSGSUOKSA-N 0 2 224.203 2.570 20 0 BFADLN Oc1cccc(-c2nccc3[nH]cnc32)c1Cl ZINC001242798659 984170240 /nfs/dbraw/zinc/17/02/40/984170240.db2.gz OIOSUWVMQJDYEJ-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Cc1cc(-c2cccc(S)c2)cn(C)c1=O ZINC001242866672 984211411 /nfs/dbraw/zinc/21/14/11/984211411.db2.gz DVDINHCYWPJGRX-UHFFFAOYSA-N 0 2 231.320 2.649 20 0 BFADLN CN(C)c1cc(-c2ccccc2C(=O)[O-])cc[nH+]1 ZINC001242878465 984217339 /nfs/dbraw/zinc/21/73/39/984217339.db2.gz UKDQPOYPLORRLC-UHFFFAOYSA-N 0 2 242.278 2.513 20 0 BFADLN Cc1cc(C(=O)[O-])cc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001243177123 984631385 /nfs/dbraw/zinc/63/13/85/984631385.db2.gz GTJPPZJRGABODI-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Cc1ncnc(-c2cc(F)cc(F)c2O)c1C ZINC001243500365 985051263 /nfs/dbraw/zinc/05/12/63/985051263.db2.gz LATBZEGSIBBEHO-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN CCc1ccc(-c2cc(F)cc(F)c2O)nn1 ZINC001243505363 985055143 /nfs/dbraw/zinc/05/51/43/985055143.db2.gz XIQZFGIZYKVGBN-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN Oc1cccc(Cl)c1-c1cncc2[nH]cnc21 ZINC001244049530 985786698 /nfs/dbraw/zinc/78/66/98/985786698.db2.gz CWPVWLMVQHQOJV-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Cc1nccc(-c2ccc(Cl)c(O)c2F)n1 ZINC001244631361 986295770 /nfs/dbraw/zinc/29/57/70/986295770.db2.gz XAKSVDMBGRTLTR-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Oc1cc(F)c(-c2ncncc2F)cc1Cl ZINC001245668778 987054704 /nfs/dbraw/zinc/05/47/04/987054704.db2.gz YXCGLYIQKPLMMA-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN CC(=N)N1N=C(c2ccc(Cl)cc2)CC1=O ZINC001245911504 987135425 /nfs/dbraw/zinc/13/54/25/987135425.db2.gz AVISQDDZUYBCNU-UHFFFAOYSA-N 0 2 235.674 2.754 20 0 BFADLN COc1cccc(C2=NN(C(C)C)C(=O)C2)c1 ZINC001245917486 987148066 /nfs/dbraw/zinc/14/80/66/987148066.db2.gz IQPKADWBPIIZGR-UHFFFAOYSA-N 0 2 232.283 2.845 20 0 BFADLN COc1cccc(-c2cc(=O)n(C(C)C)[nH]2)c1 ZINC001245917486 987148071 /nfs/dbraw/zinc/14/80/71/987148071.db2.gz IQPKADWBPIIZGR-UHFFFAOYSA-N 0 2 232.283 2.845 20 0 BFADLN Cc1nc(-n2[nH]c(C3CCC3)cc2=O)sc1C ZINC001245923228 987168983 /nfs/dbraw/zinc/16/89/83/987168983.db2.gz NANASFMUFACELI-UHFFFAOYSA-N 0 2 249.339 2.919 20 0 BFADLN CC1=NN([C@@H](C)c2ccccc2)C(=O)C1 ZINC001245927680 987187301 /nfs/dbraw/zinc/18/73/01/987187301.db2.gz CPRLTHNXEUMRIZ-JTQLQIEISA-N 0 2 202.257 2.506 20 0 BFADLN Cc1cc(=O)n(-c2nc3ccc(Cl)cc3o2)[nH]1 ZINC001245928306 987188356 /nfs/dbraw/zinc/18/83/56/987188356.db2.gz SLUWBTAIBUWMPY-UHFFFAOYSA-N 0 2 249.657 2.681 20 0 BFADLN COc1ccc([C@@H](C)N2N=C(C)CC2=O)cc1 ZINC001245928509 987190284 /nfs/dbraw/zinc/19/02/84/987190284.db2.gz ZOTMTGZHKQAPEE-SNVBAGLBSA-N 0 2 232.283 2.515 20 0 BFADLN CCn1[nH]c(-c2ccccc2C)cc1=O ZINC001245935149 987197179 /nfs/dbraw/zinc/19/71/79/987197179.db2.gz AMTCXRDPQXEGOY-UHFFFAOYSA-N 0 2 202.257 2.584 20 0 BFADLN CC[C@H](C)N1N=C(c2ccc(C)nc2)CC1=O ZINC001245950095 987222562 /nfs/dbraw/zinc/22/25/62/987222562.db2.gz VXFREKPWOJTMAS-JTQLQIEISA-N 0 2 231.299 2.930 20 0 BFADLN C[C@H]1CC[C@H]1NC(=O)c1cccc(Cl)c1O ZINC001117459699 987838902 /nfs/dbraw/zinc/83/89/02/987838902.db2.gz FICSVVZXVXWZKL-OIBJUYFYSA-N 0 2 239.702 2.574 20 0 BFADLN CC(C)ONC(=O)[C@]1(C)CCCc2ccccc21 ZINC001325261076 989133674 /nfs/dbraw/zinc/13/36/74/989133674.db2.gz LPDNSTQSYUVWNW-OAHLLOKOSA-N 0 2 247.338 2.737 20 0 BFADLN CC(C)(C)[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001518812842 989338124 /nfs/dbraw/zinc/33/81/24/989338124.db2.gz FLDGPTRKJQTXCT-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)(C)[C@@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001518812842 989338134 /nfs/dbraw/zinc/33/81/34/989338134.db2.gz FLDGPTRKJQTXCT-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)(CNc1cc(CC(=O)[O-])cc[nH+]1)C1CC1 ZINC001590774384 990578289 /nfs/dbraw/zinc/57/82/89/990578289.db2.gz VDJSMRMUDFMZFW-UHFFFAOYSA-N 0 2 248.326 2.557 20 0 BFADLN CC(C)C1(CNc2cc(CC(=O)[O-])cc[nH+]2)CC1 ZINC001591060833 991493760 /nfs/dbraw/zinc/49/37/60/991493760.db2.gz YOPBQXCSDFDAPN-UHFFFAOYSA-N 0 2 248.326 2.557 20 0 BFADLN O=c1c2c([nH]n1CC1CCCC1)CCCC2 ZINC000629942772 361783180 /nfs/dbraw/zinc/78/31/80/361783180.db2.gz YCIWPLNKKLOEDD-LLVKDONJSA-N 0 2 220.316 2.565 20 0 BFADLN CCCCN1N=C(c2cccs2)[C@@H](C)C1=O ZINC000634585308 342928397 /nfs/dbraw/zinc/92/83/97/342928397.db2.gz CALMRQNECUFXPG-SECBINFHSA-N 0 2 236.340 2.731 20 0 BFADLN CCc1ccccc1N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000634589191 342935195 /nfs/dbraw/zinc/93/51/95/342935195.db2.gz QJSWQHVHGLETKB-ZYHUDNBSSA-N 0 2 242.322 2.998 20 0 BFADLN CCc1ccccc1N1N=C2[C@@H](CC[C@@H]2C)C1=O ZINC000634589188 342935418 /nfs/dbraw/zinc/93/54/18/342935418.db2.gz QJSWQHVHGLETKB-CMPLNLGQSA-N 0 2 242.322 2.998 20 0 BFADLN C[C@H]1CC[C@@H]2C(=O)N(c3cccc(F)c3)N=C12 ZINC000634593678 342951470 /nfs/dbraw/zinc/95/14/70/342951470.db2.gz XGWCGYMRRNJAFN-KWQFWETISA-N 0 2 232.258 2.574 20 0 BFADLN CCc1ccc(N2N=C3[C@H](C)CC[C@@H]3C2=O)cc1 ZINC000634594512 342952626 /nfs/dbraw/zinc/95/26/26/342952626.db2.gz YIARTVIUPFUYJC-MFKMUULPSA-N 0 2 242.322 2.998 20 0 BFADLN CC(C)N1N=C(c2cccc(Cl)c2)CC1=O ZINC000634595068 342956723 /nfs/dbraw/zinc/95/67/23/342956723.db2.gz PLWOIMHZXICVOM-UHFFFAOYSA-N 0 2 236.702 2.685 20 0 BFADLN CC(C)n1[nH]c(-c2cccc(Cl)c2)cc1=O ZINC000634595068 342956725 /nfs/dbraw/zinc/95/67/25/342956725.db2.gz PLWOIMHZXICVOM-UHFFFAOYSA-N 0 2 236.702 2.685 20 0 BFADLN CCCCC1=NN([C@@H](C)C2CC2)C(=O)C1 ZINC000634597335 342973907 /nfs/dbraw/zinc/97/39/07/342973907.db2.gz HKAQHYXFSMYYND-VIFPVBQESA-N 0 2 208.305 2.563 20 0 BFADLN CCCCC1=NN(c2cc(C)ccn2)C(=O)[C@@H]1C ZINC000634600909 342994000 /nfs/dbraw/zinc/99/40/00/342994000.db2.gz WQFHKQLJYDGQAB-LLVKDONJSA-N 0 2 245.326 2.919 20 0 BFADLN CCCC1=NN([C@@H]2CCC[C@@H](C)C2)C(=O)C1 ZINC000634599088 342986961 /nfs/dbraw/zinc/98/69/61/342986961.db2.gz AGTVYOMLGYDTRG-ZYHUDNBSSA-N 0 2 222.332 2.954 20 0 BFADLN Cc1ccc(F)c(N2N=C3[C@@H](CC[C@@H]3C)C2=O)c1 ZINC000634611569 343008504 /nfs/dbraw/zinc/00/85/04/343008504.db2.gz YAYOFVLUDFQCCR-VHSXEESVSA-N 0 2 246.285 2.883 20 0 BFADLN CC[C@H](C)N1N=C(c2cccs2)[C@@H](C)C1=O ZINC000634624087 343024803 /nfs/dbraw/zinc/02/48/03/343024803.db2.gz XIBSZVSWMNCBLC-DTWKUNHWSA-N 0 2 236.340 2.729 20 0 BFADLN CCCCC1=NN([C@@H](C)C(F)(F)F)C(=O)C1 ZINC000634631346 343041795 /nfs/dbraw/zinc/04/17/95/343041795.db2.gz RJRFTMRNRKCWCF-ZETCQYMHSA-N 0 2 236.237 2.716 20 0 BFADLN CCCn1[nH]c(-c2cccc(Cl)c2)cc1=O ZINC000668119350 488206638 /nfs/dbraw/zinc/20/66/38/488206638.db2.gz YMMWEGDWGYUQJC-UHFFFAOYSA-N 0 2 236.702 2.686 20 0 BFADLN Cc1nc(=NCc2ccc([C@@H]3C[C@H]3C)o2)s[nH]1 ZINC000565808369 343714414 /nfs/dbraw/zinc/71/44/14/343714414.db2.gz BEWLDIMDWAIFCS-GMSGAONNSA-N 0 2 249.339 2.597 20 0 BFADLN Cc1n[nH]c(=NCC[C@H]2CCCC[C@@H]2C)s1 ZINC000381437184 344506818 /nfs/dbraw/zinc/50/68/18/344506818.db2.gz DBQYGXTZBPMPIG-GXSJLCMTSA-N 0 2 239.388 2.897 20 0 BFADLN Cc1ccccc1C1(C(=O)NOC(C)C)CCC1 ZINC000295748093 179255360 /nfs/dbraw/zinc/25/53/60/179255360.db2.gz UKJUHTRVRZNDHT-UHFFFAOYSA-N 0 2 247.338 2.873 20 0 BFADLN CC(C)CN1N=C(c2ccsc2)CC1=O ZINC000409437193 350480369 /nfs/dbraw/zinc/48/03/69/350480369.db2.gz FFMGZRIBRRSQLD-UHFFFAOYSA-N 0 2 222.313 2.973 20 0 BFADLN CC(C)Cn1[nH]c(-c2ccsc2)cc1=O ZINC000409437193 350480373 /nfs/dbraw/zinc/48/03/73/350480373.db2.gz FFMGZRIBRRSQLD-UHFFFAOYSA-N 0 2 222.313 2.973 20 0 BFADLN Cc1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)s1 ZINC000302178622 180428581 /nfs/dbraw/zinc/42/85/81/180428581.db2.gz NMNGDLFZQQRPRM-GDPRMGEGSA-N 0 2 237.372 2.861 20 0 BFADLN Cc1nc(=N[C@@H]2CCc3c2cccc3C)s[nH]1 ZINC000608083324 352756147 /nfs/dbraw/zinc/75/61/47/352756147.db2.gz FODBMXCNJMTOEY-GFCCVEGCSA-N 0 2 245.351 2.676 20 0 BFADLN Cc1nc(=N[C@@H]2CCc3ccc(C)cc32)s[nH]1 ZINC000608085201 352872477 /nfs/dbraw/zinc/87/24/77/352872477.db2.gz BKTNYRKOEASGLC-GFCCVEGCSA-N 0 2 245.351 2.676 20 0 BFADLN CC(C)(C)c1nc(=N[C@@H]2CCC[C@@H]2F)s[nH]1 ZINC000338845321 188084189 /nfs/dbraw/zinc/08/41/89/188084189.db2.gz SNDXCTQVGRIFPX-JGVFFNPUSA-N 0 2 243.351 2.560 20 0 BFADLN CCC(C)(C)CNc1cccc(C(=O)[O-])[nH+]1 ZINC000233030710 363390511 /nfs/dbraw/zinc/39/05/11/363390511.db2.gz DDHIPBPCNCFNQI-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN Cc1ccccc1C[N@H+](Cc1cnc[nH]1)C1CC1 ZINC000349950560 355534377 /nfs/dbraw/zinc/53/43/77/355534377.db2.gz YITIMLWEVMAGLG-UHFFFAOYSA-N 0 2 241.338 2.883 20 0 BFADLN C1CC1[C@@H]1C[C@H]1Nc1nc(C2CCCC2)ns1 ZINC000420634285 192252489 /nfs/dbraw/zinc/25/24/89/192252489.db2.gz YARVWJWRHNUCSF-WDEREUQCSA-N 0 2 249.383 2.828 20 0 BFADLN C[C@@H]1CC[C@H]1Nc1nc(C2CCCC2)ns1 ZINC000420643759 192253586 /nfs/dbraw/zinc/25/35/86/192253586.db2.gz WGZMDWKKHSCLPA-PSASIEDQSA-N 0 2 237.372 2.828 20 0 BFADLN C[C@H]1CC[C@H]1Nc1nc(C2CCCC2)ns1 ZINC000420643761 192254578 /nfs/dbraw/zinc/25/45/78/192254578.db2.gz WGZMDWKKHSCLPA-WCBMZHEXSA-N 0 2 237.372 2.828 20 0 BFADLN Cc1cc(C)c(CCN=c2[nH]ncs2)c(C)c1 ZINC000450264272 202114955 /nfs/dbraw/zinc/11/49/55/202114955.db2.gz SRQJXZYXUMCSAX-UHFFFAOYSA-N 0 2 247.367 2.540 20 0 BFADLN CCCC[C@H]1CCC[C@@H]1N=c1[nH]ncs1 ZINC000450309987 202125383 /nfs/dbraw/zinc/12/53/83/202125383.db2.gz VXHNTJBZYXXCGK-UWVGGRQHSA-N 0 2 225.361 2.731 20 0 BFADLN Cc1ccc2c(c1)[C@H](N=c1[nH]ncs1)[C@@H](C)C2 ZINC000450431629 202166044 /nfs/dbraw/zinc/16/60/44/202166044.db2.gz AOZDSIWDPXRKTO-JOYOIKCWSA-N 0 2 245.351 2.614 20 0 BFADLN C[C@@]1(CN=c2[nH]ncs2)C[C@H]1c1ccccc1 ZINC000450545410 202195252 /nfs/dbraw/zinc/19/52/52/202195252.db2.gz XPZXKAWQVFHXTN-AAEUAGOBSA-N 0 2 245.351 2.566 20 0 BFADLN CC(C)c1n[nH]c(=NCCCC(C)(F)F)s1 ZINC000450554348 202195722 /nfs/dbraw/zinc/19/57/22/202195722.db2.gz KNCBRBLYGRUSKQ-UHFFFAOYSA-N 0 2 249.330 2.931 20 0 BFADLN CC(C)(C)c1nc(=NC2CC(C)(F)C2)s[nH]1 ZINC000450582717 202203271 /nfs/dbraw/zinc/20/32/71/202203271.db2.gz SONFHMXYJWZGQI-UHFFFAOYSA-N 0 2 243.351 2.560 20 0 BFADLN CC(C)(C)c1nsc(NC2CC(C)(F)C2)n1 ZINC000450582717 202203275 /nfs/dbraw/zinc/20/32/75/202203275.db2.gz SONFHMXYJWZGQI-UHFFFAOYSA-N 0 2 243.351 2.560 20 0 BFADLN CCCC[C@@H](CC)CC(=O)Nc1nc(C)n[nH]1 ZINC000117252512 356978462 /nfs/dbraw/zinc/97/84/62/356978462.db2.gz QBOBRALWGKXZMI-SNVBAGLBSA-N 0 2 238.335 2.658 20 0 BFADLN CC/C=C/CN=c1[nH]c(C(F)(F)F)cs1 ZINC000450694054 202235725 /nfs/dbraw/zinc/23/57/25/202235725.db2.gz NQHAEVBORFXARQ-ONEGZZNKSA-N 0 2 236.262 2.962 20 0 BFADLN C/C=C\C[C@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495144 359696340 /nfs/dbraw/zinc/69/63/40/359696340.db2.gz JLXXYPFNNSPMMC-WSNITJDQSA-N 0 2 247.386 2.907 20 0 BFADLN O=c1cc(-c2ccccc2)[nH]n1CC1CCCC1 ZINC000614189706 363749772 /nfs/dbraw/zinc/74/97/72/363749772.db2.gz PLZOKFUXGJKYEV-UHFFFAOYSA-N 0 2 242.322 2.813 20 0 BFADLN C1CC1c1nsc(NC2CCC3(CC3)CC2)n1 ZINC000433808914 201196064 /nfs/dbraw/zinc/19/60/64/201196064.db2.gz RMTYEKHFJWXJGT-UHFFFAOYSA-N 0 2 249.383 2.972 20 0 BFADLN CCC(C)(C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000183358568 367016545 /nfs/dbraw/zinc/01/65/45/367016545.db2.gz IYSZMYDVXHKHSJ-UHFFFAOYSA-N 0 2 243.253 2.589 20 0 BFADLN C[C@@H](Sc1n[nH]c(=O)[nH]1)c1ccccc1F ZINC000194624697 367313061 /nfs/dbraw/zinc/31/30/61/367313061.db2.gz ZWKRDRINKCRDOX-ZCFIWIBFSA-N 0 2 239.275 2.503 20 0 BFADLN CC(C)c1n[nH]c(=NCC2CC(C)(C)C2)s1 ZINC000381267724 367371828 /nfs/dbraw/zinc/37/18/28/367371828.db2.gz UQCYWWMHJFGWBI-UHFFFAOYSA-N 0 2 239.388 2.932 20 0 BFADLN CC1(c2nc(=NCc3ccccc3)s[nH]2)CC1 ZINC000630956626 368145523 /nfs/dbraw/zinc/14/55/23/368145523.db2.gz SPNVKKRYAYSPEZ-UHFFFAOYSA-N 0 2 245.351 2.624 20 0 BFADLN CC1(C)CCC(SCc2n[nH]c(=O)[nH]2)CC1 ZINC000615687313 368204118 /nfs/dbraw/zinc/20/41/18/368204118.db2.gz XDEDXSVFSFHWNH-UHFFFAOYSA-N 0 2 241.360 2.712 20 0 BFADLN Cc1ccc([N@H+](C)CCCCC(=O)[O-])c(C)c1 ZINC000049987456 384582762 /nfs/dbraw/zinc/58/27/62/384582762.db2.gz GJMWSNXDTIBKEN-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN Cc1ccc([N@@H+](C)CCCCC(=O)[O-])c(C)c1 ZINC000049987456 384582770 /nfs/dbraw/zinc/58/27/70/384582770.db2.gz GJMWSNXDTIBKEN-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN C[C@@H]1CC2(CCC2)CN1c1ccc(C(=O)[O-])c[nH+]1 ZINC000647453816 385040718 /nfs/dbraw/zinc/04/07/18/385040718.db2.gz VKOGBXGDCQCCSA-SNVBAGLBSA-N 0 2 246.310 2.549 20 0 BFADLN O=C([O-])c1ccc(NC[C@@H]2C[C@H]2C2CCC2)[nH+]c1 ZINC000647457200 385041879 /nfs/dbraw/zinc/04/18/79/385041879.db2.gz YIINEOHCSVCZSS-RYUDHWBXSA-N 0 2 246.310 2.628 20 0 BFADLN CC[C@@H](C)C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179753721 385490463 /nfs/dbraw/zinc/49/04/63/385490463.db2.gz IQNFPFAZMAENLK-GFCCVEGCSA-N 0 2 231.343 2.812 20 0 BFADLN CCCCC[C@@H](CC)C(=O)Nc1nc(C)n[nH]1 ZINC000180368567 385519205 /nfs/dbraw/zinc/51/92/05/385519205.db2.gz IZXBQAOKJOQRTR-SNVBAGLBSA-N 0 2 238.335 2.658 20 0 BFADLN C[C@H](CSc1n[nH]c(=O)[nH]1)C1CCCCC1 ZINC000338567175 386052771 /nfs/dbraw/zinc/05/27/71/386052771.db2.gz OIYHAACYYGTVBE-MRVPVSSYSA-N 0 2 241.360 2.819 20 0 BFADLN CC(C)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000274568619 386121227 /nfs/dbraw/zinc/12/12/27/386121227.db2.gz LQUMBVNGLQLLIA-UHFFFAOYSA-N 0 2 245.681 2.665 20 0 BFADLN Cc1ccc(CSCc2cnn[nH]2)cc1C ZINC000295866780 386098823 /nfs/dbraw/zinc/09/88/23/386098823.db2.gz CJRNSKTVDNBTCZ-UHFFFAOYSA-N 0 2 233.340 2.855 20 0 BFADLN CC(C)(C)c1nc(=N[C@H]2CCC[C@@H]2F)s[nH]1 ZINC000338845323 386159023 /nfs/dbraw/zinc/15/90/23/386159023.db2.gz SNDXCTQVGRIFPX-YUMQZZPRSA-N 0 2 243.351 2.560 20 0 BFADLN C[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000277626321 386453898 /nfs/dbraw/zinc/45/38/98/386453898.db2.gz YPJJLYWXPCVNFN-CBAPKCEASA-N 0 2 249.207 2.764 20 0 BFADLN C[C@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000277626321 386453902 /nfs/dbraw/zinc/45/39/02/386453902.db2.gz YPJJLYWXPCVNFN-CBAPKCEASA-N 0 2 249.207 2.764 20 0 BFADLN C[C@@H](Nc1cccc(C(=O)[O-])[nH+]1)C1CCCC1 ZINC000070308348 387063744 /nfs/dbraw/zinc/06/37/44/387063744.db2.gz SGQLYDGIZMAJIA-SECBINFHSA-N 0 2 234.299 2.770 20 0 BFADLN Cc1cc(=NC(=O)C[C@H](C)CC(C)C)[nH]nc1C ZINC000359509962 387113016 /nfs/dbraw/zinc/11/30/16/387113016.db2.gz ZIGVPQYHQRHNFD-SNVBAGLBSA-N 0 2 249.358 2.526 20 0 BFADLN Cc1[nH]ncc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000353971609 387304749 /nfs/dbraw/zinc/30/47/49/387304749.db2.gz LEJPKTVJZINWTE-OAHLLOKOSA-N 0 2 241.338 2.535 20 0 BFADLN CC(C)Cc1nsc(NCCC(C)(F)F)n1 ZINC000450562284 387864823 /nfs/dbraw/zinc/86/48/23/387864823.db2.gz VMDWMHDBIGUWBC-UHFFFAOYSA-N 0 2 249.330 2.616 20 0 BFADLN Cc1cccc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)[nH+]1 ZINC000447812919 388094147 /nfs/dbraw/zinc/09/41/47/388094147.db2.gz TYEGVYUNRBACBR-ZDUSSCGKSA-N 0 2 247.386 2.922 20 0 BFADLN CCC[C@@H](C(=O)N=c1cc(C)c(C)n[nH]1)C(C)C ZINC000489910639 388228518 /nfs/dbraw/zinc/22/85/18/388228518.db2.gz ZVNCRAMJJRHTQF-GFCCVEGCSA-N 0 2 249.358 2.526 20 0 BFADLN CC(C)[C@]1(C)C[C@@H]1Nc1nc(C2CC2)ns1 ZINC000397243038 388456026 /nfs/dbraw/zinc/45/60/26/388456026.db2.gz SKEMHUNYPZYIJH-CABZTGNLSA-N 0 2 237.372 2.684 20 0 BFADLN C[C@H]1CC[C@H]1Nc1nc(-c2ccccc2)ns1 ZINC000553319086 388763074 /nfs/dbraw/zinc/76/30/74/388763074.db2.gz RDKFYRXZZBSQMQ-GXSJLCMTSA-N 0 2 245.351 2.837 20 0 BFADLN CC[C@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000079351135 135307899 /nfs/dbraw/zinc/30/78/99/135307899.db2.gz QQUVNPCLOGDMRE-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN CC(F)(F)CCCNc1cccc(C(=O)[O-])[nH+]1 ZINC000262942829 135324952 /nfs/dbraw/zinc/32/49/52/135324952.db2.gz BPTSDAGVNQCTGD-UHFFFAOYSA-N 0 2 244.241 2.627 20 0 BFADLN O=C([O-])c1cccc(N[C@@H](C2CC2)C2CCC2)[nH+]1 ZINC000263374073 135350282 /nfs/dbraw/zinc/35/02/82/135350282.db2.gz ZRIABPBDIDNOKV-CYBMUJFWSA-N 0 2 246.310 2.770 20 0 BFADLN Cc1ccc(F)c(C(=O)N2CC[C@@](C)(F)C2)c1 ZINC000334357461 135370112 /nfs/dbraw/zinc/37/01/12/135370112.db2.gz QDBUMGIJPUCTSJ-CYBMUJFWSA-N 0 2 239.265 2.708 20 0 BFADLN CCOC(=O)c1cnc(C)c(Cl)c1Cl ZINC000334357809 135370353 /nfs/dbraw/zinc/37/03/53/135370353.db2.gz QXSBRYCSTZVNRZ-UHFFFAOYSA-N 0 2 234.082 2.874 20 0 BFADLN Cc1nnc(N[C@@H](C)CCC(C)C)nc1C ZINC000164488175 135370472 /nfs/dbraw/zinc/37/04/72/135370472.db2.gz AKLPQWPMUYSENG-VIFPVBQESA-N 0 2 222.336 2.725 20 0 BFADLN CCc1ccc(N2N=C(C)[C@H](C)C2=O)cc1 ZINC000308028186 397981589 /nfs/dbraw/zinc/98/15/89/397981589.db2.gz YXJIQUVHOYHEGF-VIFPVBQESA-N 0 2 216.284 2.608 20 0 BFADLN CC(C)C1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000232546243 487604935 /nfs/dbraw/zinc/60/49/35/487604935.db2.gz AGUAEYDAVICTGK-UHFFFAOYSA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)[C@]1(C)C[C@@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000397194768 410916153 /nfs/dbraw/zinc/91/61/53/410916153.db2.gz QVPRKOHIYKUYHT-GWCFXTLKSA-N 0 2 234.299 2.626 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@H]2CC2(C)C)s1 ZINC000336768964 167654530 /nfs/dbraw/zinc/65/45/30/167654530.db2.gz VDPKPUQLFLVPDF-MRVPVSSYSA-N 0 2 225.361 2.541 20 0 BFADLN CC1=NN(c2ccccc2Cl)C(=O)[C@H]1C ZINC000103294678 168135309 /nfs/dbraw/zinc/13/53/09/168135309.db2.gz BFTOQFDYSLADRD-ZETCQYMHSA-N 0 2 222.675 2.699 20 0 BFADLN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccco1 ZINC000271447661 411430513 /nfs/dbraw/zinc/43/05/13/411430513.db2.gz DADASVWLYMIRHN-GXSJLCMTSA-N 0 2 231.299 2.731 20 0 BFADLN CC[C@@H](C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184162167 170747904 /nfs/dbraw/zinc/74/79/04/170747904.db2.gz QAAUHDCEHXYYLA-ZCFIWIBFSA-N 0 2 245.681 2.713 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N1c1cccc(C(=O)[O-])[nH+]1 ZINC000136205792 171039098 /nfs/dbraw/zinc/03/90/98/171039098.db2.gz MLDXUJWEEKXICQ-NXEZZACHSA-N 0 2 234.299 2.547 20 0 BFADLN CC[C@H](C)[C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000181052293 171385233 /nfs/dbraw/zinc/38/52/33/171385233.db2.gz HVTZEZPXXUUXLF-IUCAKERBSA-N 0 2 246.314 2.579 20 0 BFADLN O=C([O-])c1cccc(NC[C@@H]2CCC[C@H]3C[C@H]32)[nH+]1 ZINC000662887084 412336075 /nfs/dbraw/zinc/33/60/75/412336075.db2.gz SSXMHUAJXYBOHJ-GARJFASQSA-N 0 2 246.310 2.628 20 0 BFADLN CC(C)c1cccc(CSc2n[nH]c(=O)[nH]2)c1 ZINC000663244660 412399728 /nfs/dbraw/zinc/39/97/28/412399728.db2.gz GACDWFSPTFFHCU-UHFFFAOYSA-N 0 2 249.339 2.926 20 0 BFADLN O=C([O-])c1cc(N[C@H](C2CC2)C2CCC2)cc[nH+]1 ZINC000324550746 487629066 /nfs/dbraw/zinc/62/90/66/487629066.db2.gz MBKJNUNJJNWAAE-ZDUSSCGKSA-N 0 2 246.310 2.770 20 0 BFADLN COc1ccc([NH2+]C2CCC(C(=O)[O-])CC2)cc1 ZINC000082312227 175149887 /nfs/dbraw/zinc/14/98/87/175149887.db2.gz XNZNASDYDWSBBL-UHFFFAOYSA-N 0 2 249.310 2.751 20 0 BFADLN C[C@H]1CCCC[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000019845099 177089556 /nfs/dbraw/zinc/08/95/56/177089556.db2.gz YYGIJQKCONGPJR-GXSJLCMTSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1C[C@H]1CNc1nc(-c2ccccc2)ns1 ZINC000475355577 225135179 /nfs/dbraw/zinc/13/51/79/225135179.db2.gz PRGAXGXLAKSDLY-ONGXEEELSA-N 0 2 245.351 2.695 20 0 BFADLN CC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667655672 487700697 /nfs/dbraw/zinc/70/06/97/487700697.db2.gz NACYMIBLJWGMPF-ZDUSSCGKSA-N 0 2 247.386 2.841 20 0 BFADLN CC(C)C[C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000185510808 487731088 /nfs/dbraw/zinc/73/10/88/487731088.db2.gz XXVFFMGSSVIFCD-SECBINFHSA-N 0 2 246.314 2.579 20 0 BFADLN O=C([O-])c1ccc(NC[C@@H]2CC=CCC2)[nH+]c1 ZINC000045647743 487848266 /nfs/dbraw/zinc/84/82/66/487848266.db2.gz GLMOCRYQEFDABG-SNVBAGLBSA-N 0 2 232.283 2.548 20 0 BFADLN CC(C)(C)c1nc(=N[C@H]2CC23CCCCC3)[nH]o1 ZINC000546762198 325309827 /nfs/dbraw/zinc/30/98/27/325309827.db2.gz MHPRFXGYOVMBNV-JTQLQIEISA-N 0 2 249.358 2.924 20 0 BFADLN Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)n1C ZINC000667590052 488053892 /nfs/dbraw/zinc/05/38/92/488053892.db2.gz JYFNYVJKNPEYRX-ZDUSSCGKSA-N 0 2 235.375 2.739 20 0 BFADLN CCC[C@@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667673738 488083711 /nfs/dbraw/zinc/08/37/11/488083711.db2.gz LFPBSBHJFFJBLL-CYBMUJFWSA-N 0 2 235.375 2.741 20 0 BFADLN CC(F)(F)CCCNc1cc[nH+]c(C(=O)[O-])c1 ZINC000389665280 488105921 /nfs/dbraw/zinc/10/59/21/488105921.db2.gz NFHYAJWILUBFLZ-UHFFFAOYSA-N 0 2 244.241 2.627 20 0 BFADLN Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)n1C ZINC000668047855 488195113 /nfs/dbraw/zinc/19/51/13/488195113.db2.gz NUKBMQJLBLTZMC-GRYCIOLGSA-N 0 2 235.375 2.595 20 0 BFADLN CCCN1N=C(c2cccc(Cl)c2)CC1=O ZINC000668119350 488206635 /nfs/dbraw/zinc/20/66/35/488206635.db2.gz YMMWEGDWGYUQJC-UHFFFAOYSA-N 0 2 236.702 2.686 20 0 BFADLN O=C(NOCC1CCC1)C1(c2ccccc2)CC1 ZINC000856346104 588868785 /nfs/dbraw/zinc/86/87/85/588868785.db2.gz PFJSPHUSWUWXDM-UHFFFAOYSA-N 0 2 245.322 2.566 20 0 BFADLN CC[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000893961281 583256491 /nfs/dbraw/zinc/25/64/91/583256491.db2.gz DOXVYULSNVKFQW-LBPRGKRZSA-N 0 2 221.348 2.649 20 0 BFADLN Cc1cc(C)c(CC[NH2+]Cc2c[nH+]c[nH]2)c(C)c1 ZINC000894192845 583333966 /nfs/dbraw/zinc/33/39/66/583333966.db2.gz FJHDHXKKPBIXOT-UHFFFAOYSA-N 0 2 243.354 2.667 20 0 BFADLN Fc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)CCC2 ZINC000894613343 583494734 /nfs/dbraw/zinc/49/47/34/583494734.db2.gz AEIFDNVCGUMWMN-AWEZNQCLSA-N 0 2 245.301 2.716 20 0 BFADLN CC[C@@H](C)Oc1ccc([NH2+][C@@H](C)C(=O)[O-])cc1 ZINC000737783611 583879484 /nfs/dbraw/zinc/87/94/84/583879484.db2.gz YDQUQPYTAPAPGY-ZJUUUORDSA-N 0 2 237.299 2.749 20 0 BFADLN CCC1=NN(C2CCC(F)(F)CC2)C(=O)C1 ZINC000899366361 584208166 /nfs/dbraw/zinc/20/81/66/584208166.db2.gz LGYAVIFZJJGBQF-UHFFFAOYSA-N 0 2 230.258 2.563 20 0 BFADLN C[C@@H](CC1CC1)[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901719195 584483519 /nfs/dbraw/zinc/48/35/19/584483519.db2.gz FFKLKZWJAPSRTJ-JTQLQIEISA-N 0 2 249.310 2.751 20 0 BFADLN C[C@H]1CCC[C@@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901718049 584488211 /nfs/dbraw/zinc/48/82/11/584488211.db2.gz YERIUVSINHRJPC-GWCFXTLKSA-N 0 2 249.310 2.751 20 0 BFADLN CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901717443 584488418 /nfs/dbraw/zinc/48/84/18/584488418.db2.gz QTKFIKLSAGXTOK-ZWNOBZJWSA-N 0 2 249.310 2.751 20 0 BFADLN C[C@@H]1CCC[C@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901718052 584488447 /nfs/dbraw/zinc/48/84/47/584488447.db2.gz YERIUVSINHRJPC-ZWNOBZJWSA-N 0 2 249.310 2.751 20 0 BFADLN CCCC(C)(C)NC(=O)[C@H](F)C(F)(F)F ZINC000788126698 585082724 /nfs/dbraw/zinc/08/27/24/585082724.db2.gz MDYWTDNLKHFUBQ-LURJTMIESA-N 0 2 229.217 2.582 20 0 BFADLN CCCC(C)(C)NC(=O)C(F)C(F)(F)F ZINC000788126698 585082725 /nfs/dbraw/zinc/08/27/25/585082725.db2.gz MDYWTDNLKHFUBQ-LURJTMIESA-N 0 2 229.217 2.582 20 0 BFADLN CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H](C)C(C)C ZINC000839264859 585100503 /nfs/dbraw/zinc/10/05/03/585100503.db2.gz RPBZLCPOIMLWID-HTQZYQBOSA-N 0 2 243.244 2.780 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)[C@H](C)C(C)C ZINC000839264859 585100504 /nfs/dbraw/zinc/10/05/04/585100504.db2.gz RPBZLCPOIMLWID-HTQZYQBOSA-N 0 2 243.244 2.780 20 0 BFADLN CC[C@@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000763897231 585456662 /nfs/dbraw/zinc/45/66/62/585456662.db2.gz XBAIDQRNKFXYEN-HTQZYQBOSA-N 0 2 241.228 2.678 20 0 BFADLN CC[C@@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000763897231 585456663 /nfs/dbraw/zinc/45/66/63/585456663.db2.gz XBAIDQRNKFXYEN-HTQZYQBOSA-N 0 2 241.228 2.678 20 0 BFADLN O=C(NC1CCCCCC1)[C@H](F)C(F)(F)F ZINC000763903342 585456756 /nfs/dbraw/zinc/45/67/56/585456756.db2.gz RMJXALMAFDETII-QMMMGPOBSA-N 0 2 241.228 2.726 20 0 BFADLN O=C(NC1CCCCCC1)C(F)C(F)(F)F ZINC000763903342 585456757 /nfs/dbraw/zinc/45/67/57/585456757.db2.gz RMJXALMAFDETII-QMMMGPOBSA-N 0 2 241.228 2.726 20 0 BFADLN CCCN(CC1CC1)C(=O)[C@H](F)C(F)(F)F ZINC000763920440 585457007 /nfs/dbraw/zinc/45/70/07/585457007.db2.gz ACDYWFRQIWNVMU-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CCCN(CC1CC1)C(=O)C(F)C(F)(F)F ZINC000763920440 585457008 /nfs/dbraw/zinc/45/70/08/585457008.db2.gz ACDYWFRQIWNVMU-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CCC(C)(CC)NC(=O)[C@@H](F)C(F)(F)F ZINC000764505538 585467044 /nfs/dbraw/zinc/46/70/44/585467044.db2.gz GDMSCPNEXBOGHS-ZCFIWIBFSA-N 0 2 229.217 2.582 20 0 BFADLN CCC(C)(CC)NC(=O)C(F)C(F)(F)F ZINC000764505538 585467045 /nfs/dbraw/zinc/46/70/45/585467045.db2.gz GDMSCPNEXBOGHS-ZCFIWIBFSA-N 0 2 229.217 2.582 20 0 BFADLN C[C@H](N(C)C(=O)[C@H](F)C(F)(F)F)C1(C)CC1 ZINC000764611991 585468943 /nfs/dbraw/zinc/46/89/43/585468943.db2.gz YZCBRICOEDJZDO-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H](N(C)C(=O)C(F)C(F)(F)F)C1(C)CC1 ZINC000764611991 585468944 /nfs/dbraw/zinc/46/89/44/585468944.db2.gz YZCBRICOEDJZDO-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN CCS[C@@H](C(=O)NOC1CCCC1)C(C)C ZINC000774861683 585667791 /nfs/dbraw/zinc/66/77/91/585667791.db2.gz AEWSRTJOSONQDK-LLVKDONJSA-N 0 2 245.388 2.755 20 0 BFADLN CC(C)CCSCC(=O)NOC1CCCC1 ZINC000775274858 585674571 /nfs/dbraw/zinc/67/45/71/585674571.db2.gz BQMIDNAKXSDGKF-UHFFFAOYSA-N 0 2 245.388 2.756 20 0 BFADLN CCCCN(C)C(=O)c1cccc(Cl)c1O ZINC000775650040 585682341 /nfs/dbraw/zinc/68/23/41/585682341.db2.gz OFGAZRUODHBZEY-UHFFFAOYSA-N 0 2 241.718 2.918 20 0 BFADLN C[C@@H]1C[C@@H](C)N1C(=O)c1cccc(Cl)c1O ZINC000792533214 586002038 /nfs/dbraw/zinc/00/20/38/586002038.db2.gz VQLHKYHWSJTDAI-HTQZYQBOSA-N 0 2 239.702 2.669 20 0 BFADLN C[C@@H]1CC(C)(C)CN1C(=O)C(F)C(F)(F)F ZINC000839878110 586169097 /nfs/dbraw/zinc/16/90/97/586169097.db2.gz YRTDPOHWYRDIPO-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CC(C)(C)CN1C(=O)[C@@H](F)C(F)(F)F ZINC000839878110 586169092 /nfs/dbraw/zinc/16/90/92/586169092.db2.gz YRTDPOHWYRDIPO-RNFRBKRXSA-N 0 2 241.228 2.534 20 0 BFADLN O=C(NCCC1CCCC1)[C@@H](F)C(F)(F)F ZINC000810058692 586532854 /nfs/dbraw/zinc/53/28/54/586532854.db2.gz WOOMMPUZZIRSBS-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCCC1CCCC1)C(F)C(F)(F)F ZINC000810058692 586532855 /nfs/dbraw/zinc/53/28/55/586532855.db2.gz WOOMMPUZZIRSBS-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN CC(C)[C@@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC000810203479 586536913 /nfs/dbraw/zinc/53/69/13/586536913.db2.gz ADUXBZGLZAMYRC-YUMQZZPRSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000810203479 586536915 /nfs/dbraw/zinc/53/69/15/586536915.db2.gz ADUXBZGLZAMYRC-YUMQZZPRSA-N 0 2 241.228 2.534 20 0 BFADLN CCC[C@H](CC)NC(=O)C(F)C(F)(F)F ZINC000810251668 586537753 /nfs/dbraw/zinc/53/77/53/586537753.db2.gz UVUHMIJNUCKNJN-BQBZGAKWSA-N 0 2 229.217 2.582 20 0 BFADLN CCC[C@H](CC)NC(=O)[C@H](F)C(F)(F)F ZINC000810251668 586537752 /nfs/dbraw/zinc/53/77/52/586537752.db2.gz UVUHMIJNUCKNJN-BQBZGAKWSA-N 0 2 229.217 2.582 20 0 BFADLN C[C@@H]1CCCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000810405307 586538755 /nfs/dbraw/zinc/53/87/55/586538755.db2.gz UYVZWFVUZIBMPK-HTQZYQBOSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@@H]1CCCCCN1C(=O)C(F)C(F)(F)F ZINC000810405307 586538756 /nfs/dbraw/zinc/53/87/56/586538756.db2.gz UYVZWFVUZIBMPK-HTQZYQBOSA-N 0 2 241.228 2.678 20 0 BFADLN CC[C@H](C)C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000810445921 586539380 /nfs/dbraw/zinc/53/93/80/586539380.db2.gz MPMFECMZZACBRD-FXQIFTODSA-N 0 2 243.244 2.828 20 0 BFADLN CC[C@H](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000810445921 586539381 /nfs/dbraw/zinc/53/93/81/586539381.db2.gz MPMFECMZZACBRD-FXQIFTODSA-N 0 2 243.244 2.828 20 0 BFADLN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810460274 586539641 /nfs/dbraw/zinc/53/96/41/586539641.db2.gz VUJRXGLORAMSIN-GJMOJQLCSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CC[C@H](C)N(C(=O)C(F)C(F)(F)F)C1 ZINC000810460274 586539642 /nfs/dbraw/zinc/53/96/42/586539642.db2.gz VUJRXGLORAMSIN-GJMOJQLCSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000810527612 586540133 /nfs/dbraw/zinc/54/01/33/586540133.db2.gz YQJIOZASAUDSBZ-VXNVDRBHSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000810527612 586540134 /nfs/dbraw/zinc/54/01/34/586540134.db2.gz YQJIOZASAUDSBZ-VXNVDRBHSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000810870037 586548759 /nfs/dbraw/zinc/54/87/59/586548759.db2.gz PBEASOCSLHFCOJ-BWZBUEFSSA-N 0 2 241.228 2.676 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N1C(=O)C(F)C(F)(F)F ZINC000810870037 586548760 /nfs/dbraw/zinc/54/87/60/586548760.db2.gz PBEASOCSLHFCOJ-BWZBUEFSSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@H]1CCCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000811161226 586555983 /nfs/dbraw/zinc/55/59/83/586555983.db2.gz TUZVMVZTVUEJDQ-JGVFFNPUSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@H]1CCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811161226 586555984 /nfs/dbraw/zinc/55/59/84/586555984.db2.gz TUZVMVZTVUEJDQ-JGVFFNPUSA-N 0 2 241.228 2.535 20 0 BFADLN CCN(CC1CCC1)C(=O)[C@H](F)C(F)(F)F ZINC000811483121 586559730 /nfs/dbraw/zinc/55/97/30/586559730.db2.gz CGPMAFVFQOTLIL-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CCN(CC1CCC1)C(=O)C(F)C(F)(F)F ZINC000811483121 586559731 /nfs/dbraw/zinc/55/97/31/586559731.db2.gz CGPMAFVFQOTLIL-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN O=C(NOCC1CC1)C1(c2ccccc2)CCC1 ZINC000817349738 586798360 /nfs/dbraw/zinc/79/83/60/586798360.db2.gz GIZJNDUYIWBCLQ-UHFFFAOYSA-N 0 2 245.322 2.566 20 0 BFADLN CCOc1ccc([NH2+][C@H](C)CC(=O)[O-])c(C)c1 ZINC000820386933 587045496 /nfs/dbraw/zinc/04/54/96/587045496.db2.gz BFLVVXQPCNZIHN-SNVBAGLBSA-N 0 2 237.299 2.669 20 0 BFADLN O=C(NCCCCC1CC1)[C@H](F)C(F)(F)F ZINC000825669686 587330374 /nfs/dbraw/zinc/33/03/74/587330374.db2.gz FMTYPPSHUYXODX-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCCCCC1CC1)C(F)C(F)(F)F ZINC000825669686 587330376 /nfs/dbraw/zinc/33/03/76/587330376.db2.gz FMTYPPSHUYXODX-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN CCCC[NH2+]c1ccc(OC)cc1C(=O)[O-] ZINC000829402093 587495664 /nfs/dbraw/zinc/49/56/64/587495664.db2.gz QDMAVHPOONKVNR-UHFFFAOYSA-N 0 2 223.272 2.605 20 0 BFADLN CC(C)CCn1cc(C(=O)[O-])[nH+]c1C1CC1 ZINC000833484030 587717289 /nfs/dbraw/zinc/71/72/89/587717289.db2.gz JTDBLOCYJGIEKT-UHFFFAOYSA-N 0 2 222.288 2.505 20 0 BFADLN CCCN(C(=O)[C@@H](F)C(F)(F)F)C(C)C ZINC000847173902 588308673 /nfs/dbraw/zinc/30/86/73/588308673.db2.gz WFBWCHQSPYIJHI-SSDOTTSWSA-N 0 2 229.217 2.534 20 0 BFADLN CCCN(C(=O)C(F)C(F)(F)F)C(C)C ZINC000847173902 588308674 /nfs/dbraw/zinc/30/86/74/588308674.db2.gz WFBWCHQSPYIJHI-SSDOTTSWSA-N 0 2 229.217 2.534 20 0 BFADLN O=c1c2c([nH]n1CC1CC1)CCCCCC2 ZINC000871943766 589838046 /nfs/dbraw/zinc/83/80/46/589838046.db2.gz RTFNMRHIRKFXGM-LLVKDONJSA-N 0 2 220.316 2.565 20 0 BFADLN Cc1ccc(N2N=C(CCC(C)C)CC2=O)nc1 ZINC000871948882 589839799 /nfs/dbraw/zinc/83/97/99/589839799.db2.gz GHUXAFNGMWYJIK-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN Cc1ccc(-n2[nH]c(CCC(C)C)cc2=O)nc1 ZINC000871948882 589839802 /nfs/dbraw/zinc/83/98/02/589839802.db2.gz GHUXAFNGMWYJIK-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN O=C1CC(C2CCCC2)=NN1c1ncccc1F ZINC000871950644 589840430 /nfs/dbraw/zinc/84/04/30/589840430.db2.gz DVVAKYUUAPCSEM-UHFFFAOYSA-N 0 2 247.273 2.504 20 0 BFADLN O=c1cc(C2CCCC2)[nH]n1-c1ncccc1F ZINC000871950644 589840432 /nfs/dbraw/zinc/84/04/32/589840432.db2.gz DVVAKYUUAPCSEM-UHFFFAOYSA-N 0 2 247.273 2.504 20 0 BFADLN CCCCC1=NN(c2ncccc2C)C(=O)[C@@H]1C ZINC000871956563 589843160 /nfs/dbraw/zinc/84/31/60/589843160.db2.gz WJISYWOVWPDBDU-LLVKDONJSA-N 0 2 245.326 2.919 20 0 BFADLN CCCc1nsc(NC2CC(C)(C)C2)n1 ZINC000395233555 631316972 /nfs/dbraw/zinc/31/69/72/631316972.db2.gz VRBQSXPKOQIZTC-UHFFFAOYSA-N 0 2 225.361 2.513 20 0 BFADLN Cc1csc([C@H](C#N)C(=O)[C@H]2C[C@@H]2C(C)C)n1 ZINC000186985925 634091904 /nfs/dbraw/zinc/09/19/04/634091904.db2.gz KABNREAUKXBQEE-OUAUKWLOSA-N 0 2 248.351 2.920 20 0 BFADLN O=C([O-])c1ccc[nH+]c1N1CCCCCCC1 ZINC000020266273 643061493 /nfs/dbraw/zinc/06/14/93/643061493.db2.gz GNRBHNIBFUVXHO-UHFFFAOYSA-N 0 2 234.299 2.550 20 0 BFADLN CCCCCCNc1[nH+]cccc1C(=O)[O-] ZINC000070224341 643460501 /nfs/dbraw/zinc/46/05/01/643460501.db2.gz WWPMHCXLNDMKFK-UHFFFAOYSA-N 0 2 222.288 2.772 20 0 BFADLN Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1c[nH]cn1 ZINC000922668800 644063885 /nfs/dbraw/zinc/06/38/85/644063885.db2.gz IXARPDXFHZWGOX-JTQLQIEISA-N 0 2 233.290 2.708 20 0 BFADLN CC(C)(C)[C@@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000160199413 711806183 /nfs/dbraw/zinc/80/61/83/711806183.db2.gz GCZUSPUWCRYWFU-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)(C)[C@H](O)CNc1ccc(S)cc1 ZINC001253732746 969353452 /nfs/dbraw/zinc/35/34/52/969353452.db2.gz FBEBFMKTDKIOIP-LLVKDONJSA-N 0 2 225.357 2.794 20 0 BFADLN CC(C)(CF)NC(=O)c1cccc(Cl)c1O ZINC001596636831 978241563 /nfs/dbraw/zinc/24/15/63/978241563.db2.gz YIYWNMBYLFCKGX-UHFFFAOYSA-N 0 2 245.681 2.524 20 0 BFADLN CC(C)OC1C[NH+](Cc2ccc([S-])cc2)C1 ZINC001233262474 978515022 /nfs/dbraw/zinc/51/50/22/978515022.db2.gz INKHMANZUIRIFE-UHFFFAOYSA-N 0 2 237.368 2.585 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1CC1CCC(C)CC1 ZINC001600685613 978719246 /nfs/dbraw/zinc/71/92/46/978719246.db2.gz TYKAPORESRRYMS-UHFFFAOYSA-N 0 2 236.315 2.716 20 0 BFADLN CC[C@@H](C)[C@@H](C)Nc1cc(CC(=O)[O-])cc[nH+]1 ZINC001604932056 979774239 /nfs/dbraw/zinc/77/42/39/979774239.db2.gz UPWPHWPUZMXTTD-NXEZZACHSA-N 0 2 236.315 2.555 20 0 BFADLN Sc1ccccc1NC1=CCCOC1 ZINC001216506447 971107351 /nfs/dbraw/zinc/10/73/51/971107351.db2.gz NOSPODUOWGEJHK-UHFFFAOYSA-N 0 2 207.298 2.691 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(C(=O)[O-])cc1Cl ZINC001245371613 971801390 /nfs/dbraw/zinc/80/13/90/971801390.db2.gz HTDJONSYDHIZIM-YALUOGEHSA-N 0 2 237.686 2.914 20 0 BFADLN CC(C)C[N@@H+]1CCCc2c(C(=O)[O-])cccc21 ZINC000037654535 957318819 /nfs/dbraw/zinc/31/88/19/957318819.db2.gz PDLVSXXMZHQZPO-UHFFFAOYSA-N 0 2 233.311 2.793 20 0 BFADLN CC(C)C[N@H+]1CCCc2c(C(=O)[O-])cccc21 ZINC000037654535 957318823 /nfs/dbraw/zinc/31/88/23/957318823.db2.gz PDLVSXXMZHQZPO-UHFFFAOYSA-N 0 2 233.311 2.793 20 0 BFADLN Cc1cccc(CNc2ccc(C(=O)[O-])c[nH+]2)c1 ZINC000048266341 957457036 /nfs/dbraw/zinc/45/70/36/957457036.db2.gz VQHMIFZFAYHRCX-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1ccc(C)cc1C ZINC000071558918 957726657 /nfs/dbraw/zinc/72/66/57/957726657.db2.gz ZARYNBZBMRLRRJ-UHFFFAOYSA-N 0 2 244.294 2.555 20 0 BFADLN Cc1cc(C)nc(-c2cc(F)ccc2O)n1 ZINC000715441660 966869824 /nfs/dbraw/zinc/86/98/24/966869824.db2.gz IVEGBPLQYIEUAF-UHFFFAOYSA-N 0 2 218.231 2.605 20 0 BFADLN Oc1c(Cl)cccc1-c1ccncn1 ZINC001250493203 967962677 /nfs/dbraw/zinc/96/26/77/967962677.db2.gz MQKWOBTUTDMSSU-UHFFFAOYSA-N 0 2 206.632 2.503 20 0 BFADLN Oc1ccc(F)cc1-c1nccc(NC2CC2)n1 ZINC001240694403 968643017 /nfs/dbraw/zinc/64/30/17/968643017.db2.gz RCOXPCNAFSELEI-UHFFFAOYSA-N 0 2 245.257 2.563 20 0 BFADLN Oc1c(F)cc(F)cc1-c1nnc(C2CC2)o1 ZINC001254119891 969506790 /nfs/dbraw/zinc/50/67/90/969506790.db2.gz BGRQGUUAAUHTRT-UHFFFAOYSA-N 0 2 238.193 2.598 20 0 BFADLN COc1ccc2ccccc2c1Nc1nnco1 ZINC001210168341 969818505 /nfs/dbraw/zinc/81/85/05/969818505.db2.gz QKUXRRCTHHLHEP-UHFFFAOYSA-N 0 2 241.250 2.975 20 0 BFADLN Nc1cccc2c1cnn2-c1cccc(S)c1 ZINC001210947085 970084723 /nfs/dbraw/zinc/08/47/23/970084723.db2.gz DUAMKSIAWOWJJJ-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN Cn1ccc2ncnc(-c3cccc(S)c3)c21 ZINC001242865527 970116069 /nfs/dbraw/zinc/11/60/69/970116069.db2.gz HOOMEDRATWYWFN-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN CC1CCN(Cc2cc(F)c(O)cc2F)CC1 ZINC001144646873 972904673 /nfs/dbraw/zinc/90/46/73/972904673.db2.gz NZOKZHZHEBJUSH-UHFFFAOYSA-N 0 2 241.281 2.902 20 0 BFADLN COc1cc(CSc2nc(C)n[nH]2)ccc1C ZINC001330816330 974486863 /nfs/dbraw/zinc/48/68/63/974486863.db2.gz MVEHAMZSJPVTHE-UHFFFAOYSA-N 0 2 249.339 2.722 20 0 BFADLN C[C@@H](Oc1nc(Cl)cc(=O)[nH]1)c1ccco1 ZINC001225561671 974554455 /nfs/dbraw/zinc/55/44/55/974554455.db2.gz ARYWBDVJCAVNGB-ZCFIWIBFSA-N 0 2 240.646 2.569 20 0 BFADLN C[C@@H]1CCCC[C@H]1Oc1nc(Cl)cc(=O)[nH]1 ZINC001225561124 974554786 /nfs/dbraw/zinc/55/47/86/974554786.db2.gz YGKQSFZHJRGGAW-HTQZYQBOSA-N 0 2 242.706 2.793 20 0 BFADLN CCC[C@H](Oc1nc(=O)[nH]cc1F)[C@H](C)CC ZINC001225881208 974711332 /nfs/dbraw/zinc/71/13/32/974711332.db2.gz GADXLCXQXFRCNL-SCZZXKLOSA-N 0 2 242.294 2.915 20 0 BFADLN C[C@H]1C[C@H](Oc2nc(=O)[nH]cc2F)C[C@@H](C)C1 ZINC001225880852 974712121 /nfs/dbraw/zinc/71/21/21/974712121.db2.gz BHNISTSLWYGYOU-BRPSZJMVSA-N 0 2 240.278 2.525 20 0 BFADLN C[C@@H]1CC[C@H](C)[C@@H](Oc2nc(=O)[nH]cc2F)C1 ZINC001225881203 974712502 /nfs/dbraw/zinc/71/25/02/974712502.db2.gz FWCSRKNRGHCEEM-WEDXCCLWSA-N 0 2 240.278 2.525 20 0 BFADLN CC[C@@H](C)C[C@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225881845 974715664 /nfs/dbraw/zinc/71/56/64/974715664.db2.gz NXQCQUKVQHUPFZ-BDAKNGLRSA-N 0 2 242.294 2.915 20 0 BFADLN CC[C@H](C[C@@H](C)CC)Oc1nc(=O)[nH]cc1F ZINC001225881846 974716276 /nfs/dbraw/zinc/71/62/76/974716276.db2.gz NXQCQUKVQHUPFZ-DTWKUNHWSA-N 0 2 242.294 2.915 20 0 BFADLN CC(C)OCCOc1cccc(S)c1 ZINC001226017173 974764041 /nfs/dbraw/zinc/76/40/41/974764041.db2.gz XHBYYLITJQPWSU-UHFFFAOYSA-N 0 2 212.314 2.779 20 0 BFADLN CCCCC[C@@H](C)Oc1nc(C)[nH]c(=O)c1F ZINC001226422774 974892735 /nfs/dbraw/zinc/89/27/35/974892735.db2.gz YOGPYUMSTYRHBO-MRVPVSSYSA-N 0 2 242.294 2.977 20 0 BFADLN Cc1nocc1Nc1cc(-c2ccccn2)no1 ZINC001212719545 975176396 /nfs/dbraw/zinc/17/63/96/975176396.db2.gz SWFRIXUXOQHLRD-UHFFFAOYSA-N 0 2 242.238 2.777 20 0 BFADLN Cc1nocc1Nc1cc(-c2ccco2)no1 ZINC001212719645 975177397 /nfs/dbraw/zinc/17/73/97/975177397.db2.gz YZHSLXWCDUUDAE-UHFFFAOYSA-N 0 2 231.211 2.975 20 0 BFADLN CC(C)(C)c1nnc(Nc2cncc(F)c2)o1 ZINC001174288680 976449951 /nfs/dbraw/zinc/44/99/51/976449951.db2.gz KVTHASOHJTWROF-UHFFFAOYSA-N 0 2 236.250 2.645 20 0 BFADLN CC(C)Oc1[nH]c(=O)nc2c3ccccc3oc21 ZINC001230666457 977291929 /nfs/dbraw/zinc/29/19/29/977291929.db2.gz KXSRMTVGWMMVAR-UHFFFAOYSA-N 0 2 244.250 2.869 20 0 BFADLN CCOc1cccc(Nc2nnc(C)o2)c1F ZINC001175234159 977337355 /nfs/dbraw/zinc/33/73/55/977337355.db2.gz GLBWYNGATPCDDB-UHFFFAOYSA-N 0 2 237.234 2.659 20 0 BFADLN C[C@H]1CCC[N@@H+]1Cc1cc([O-])c(F)c(F)c1 ZINC001232968208 978370481 /nfs/dbraw/zinc/37/04/81/978370481.db2.gz FQZWWIUFWRDRQR-QMMMGPOBSA-N 0 2 227.254 2.655 20 0 BFADLN C[C@H]1CCC[N@H+]1Cc1cc([O-])c(F)c(F)c1 ZINC001232968208 978370493 /nfs/dbraw/zinc/37/04/93/978370493.db2.gz FQZWWIUFWRDRQR-QMMMGPOBSA-N 0 2 227.254 2.655 20 0 BFADLN Cc1ccc(N2C[C@H](C)[C@H](C)[C@H]2C)[nH+]c1C(=O)[O-] ZINC001600436049 978692713 /nfs/dbraw/zinc/69/27/13/978692713.db2.gz HVMCSZIRNQXHBR-GARJFASQSA-N 0 2 248.326 2.569 20 0 BFADLN Cc1ccc(N[C@@H]2CC[C@H](C)C2)[nH+]c1C(=O)[O-] ZINC001600459815 978696669 /nfs/dbraw/zinc/69/66/69/978696669.db2.gz LKTYYRNCVVBLEK-WCBMZHEXSA-N 0 2 234.299 2.689 20 0 BFADLN O=c1ccoc2cc(O)cc(O[C@@H]3C=CCC3)c12 ZINC001233833481 978705556 /nfs/dbraw/zinc/70/55/56/978705556.db2.gz ISPYCIDPJZQZPM-SNVBAGLBSA-N 0 2 244.246 2.596 20 0 BFADLN Cc1[nH]c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(C)[nH+]1 ZINC001234608859 978872452 /nfs/dbraw/zinc/87/24/52/978872452.db2.gz MCNMPJKMHQFJNW-CHWSQXEVSA-N 0 2 233.359 2.649 20 0 BFADLN Nc1ccc(-c2ccc3oc(=S)[n-]c3c2)c[nH+]1 ZINC001236312955 979516873 /nfs/dbraw/zinc/51/68/73/979516873.db2.gz DCYJETRBAOVXON-UHFFFAOYSA-N 0 2 243.291 2.761 20 0 BFADLN Cc1ccc(F)c(-c2cc(N(C)C)cc[nH+]2)c1[O-] ZINC001236391443 979574980 /nfs/dbraw/zinc/57/49/80/979574980.db2.gz JBQGGQPZUZQUAD-UHFFFAOYSA-N 0 2 246.285 2.968 20 0 BFADLN COc1cc(C)nc(-c2c(F)ccc(C)c2O)n1 ZINC001236390844 979575946 /nfs/dbraw/zinc/57/59/46/979575946.db2.gz GLLRYBOHJMFYBG-UHFFFAOYSA-N 0 2 248.257 2.614 20 0 BFADLN CCc1ccnc(-c2c(F)ccc(C)c2O)n1 ZINC001236394635 979580133 /nfs/dbraw/zinc/58/01/33/979580133.db2.gz ZFEGRCLKZXXVEL-UHFFFAOYSA-N 0 2 232.258 2.859 20 0 BFADLN Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)[nH+]c1C(=O)[O-] ZINC001607792804 980127269 /nfs/dbraw/zinc/12/72/69/980127269.db2.gz NRUTUXDIILMXNB-UWVGGRQHSA-N 0 2 248.326 2.571 20 0 BFADLN Cc1ccc(N[C@@H](C)c2ccc[nH]2)[nH+]c1C(=O)[O-] ZINC001607807178 980131478 /nfs/dbraw/zinc/13/14/78/980131478.db2.gz CZZIDDRGRSXHEP-VIFPVBQESA-N 0 2 245.282 2.589 20 0 BFADLN CC(=O)c1ccc(CSc2nc(C)n[nH]2)cc1 ZINC001344124403 980353674 /nfs/dbraw/zinc/35/36/74/980353674.db2.gz NLUMMDTWRGQYGD-UHFFFAOYSA-N 0 2 247.323 2.608 20 0 BFADLN c1cc2c[nH+]cc(-c3ccn4cc[nH+]c4c3)c2[nH]1 ZINC001240508552 981431757 /nfs/dbraw/zinc/43/17/57/981431757.db2.gz BYGCBIYIYDRGOR-UHFFFAOYSA-N 0 2 234.262 2.878 20 0 BFADLN O=C([O-])c1ccc(-c2cc3[nH]ccc3c[nH+]2)s1 ZINC001240843561 981884479 /nfs/dbraw/zinc/88/44/79/981884479.db2.gz GKTGRCCZBOOMMW-UHFFFAOYSA-N 0 2 244.275 2.990 20 0 BFADLN Cc1ccccc1[C@H]([NH2+]Cc1nnc[nH]1)C(C)C ZINC001350370417 981949205 /nfs/dbraw/zinc/94/92/05/981949205.db2.gz ASBCFRVSXKDXEY-CQSZACIVSA-N 0 2 244.342 2.600 20 0 BFADLN Cc1n[nH]c(SCc2ccc(C)c(F)c2)n1 ZINC001351649943 982347910 /nfs/dbraw/zinc/34/79/10/982347910.db2.gz DAXSTLRCLSYMKO-UHFFFAOYSA-N 0 2 237.303 2.853 20 0 BFADLN c1cc2ccnc(-c3ccc4nn[nH]c4c3)c2o1 ZINC001241939008 983149920 /nfs/dbraw/zinc/14/99/20/983149920.db2.gz WSYIFTGNGXPINU-UHFFFAOYSA-N 0 2 236.234 2.766 20 0 BFADLN Oc1c(F)cccc1-c1ncnc2ccoc21 ZINC001242348125 983608435 /nfs/dbraw/zinc/60/84/35/983608435.db2.gz MEPXOFMBVLCJNG-UHFFFAOYSA-N 0 2 230.198 2.735 20 0 BFADLN Oc1c(F)cccc1-c1ncnc2cccnc21 ZINC001242348655 983612074 /nfs/dbraw/zinc/61/20/74/983612074.db2.gz WUTDWMAVPJFELQ-UHFFFAOYSA-N 0 2 241.225 2.537 20 0 BFADLN Cc1cncc(-c2cccc(Cl)c2O)n1 ZINC001242362336 983649672 /nfs/dbraw/zinc/64/96/72/983649672.db2.gz DBHIUSKQQWJUAW-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN Cc1cn2cc(-c3cccc(S)c3)cnc2n1 ZINC001242863517 984205874 /nfs/dbraw/zinc/20/58/74/984205874.db2.gz BDQSSLLOGAOFEX-UHFFFAOYSA-N 0 2 241.319 2.993 20 0 BFADLN Sc1cccc(-c2cnc3cc[nH]c3n2)c1 ZINC001242864549 984207349 /nfs/dbraw/zinc/20/73/49/984207349.db2.gz KHJRSMMJFBTGOH-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Nc1ccc(-c2cccc(S)c2)nc1 ZINC001242866132 984211677 /nfs/dbraw/zinc/21/16/77/984211677.db2.gz ZDKWZGBIAFSQGI-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN O=C([O-])c1ccccc1-c1cccn2cc[nH+]c12 ZINC001242877846 984218180 /nfs/dbraw/zinc/21/81/80/984218180.db2.gz GGJBGZLERXNGJC-UHFFFAOYSA-N 0 2 238.246 2.700 20 0 BFADLN Cc1cc(-c2ccc(C(=O)[O-])cc2C)c[nH+]c1N ZINC001243205076 984702115 /nfs/dbraw/zinc/70/21/15/984702115.db2.gz XCNCYJJAMQSMHV-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN CNc1cc(-c2ccc(C(=O)[O-])c(C)c2)cc[nH+]1 ZINC001243216592 984727242 /nfs/dbraw/zinc/72/72/42/984727242.db2.gz HCBSFBFPOJNAAK-UHFFFAOYSA-N 0 2 242.278 2.797 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cc(Cl)cc(C(=O)[O-])c1 ZINC001243324919 984827849 /nfs/dbraw/zinc/82/78/49/984827849.db2.gz KAPXRTHJXVBFRG-BVOBWIRXSA-N 0 2 237.686 2.914 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ncnc2ccoc21 ZINC001243499317 985053189 /nfs/dbraw/zinc/05/31/89/985053189.db2.gz FSKOAERTWPSABI-UHFFFAOYSA-N 0 2 248.188 2.874 20 0 BFADLN CC(C)(NC(=O)C(F)(F)F)c1ccc(F)cc1 ZINC000041540997 985206790 /nfs/dbraw/zinc/20/67/90/985206790.db2.gz LAKQLFSENLKUMQ-UHFFFAOYSA-N 0 2 249.207 2.739 20 0 BFADLN Cc1nccnc1-c1cc(F)c(O)c(Cl)c1 ZINC001244500247 986208059 /nfs/dbraw/zinc/20/80/59/986208059.db2.gz MSXJSDBARQBEQY-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1cnc(-c2ccc(Cl)c(O)c2F)cn1 ZINC001244631133 986295315 /nfs/dbraw/zinc/29/53/15/986295315.db2.gz PJDDSALIHKLKAZ-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1cc(-c2cccc(C(=O)[O-])c2C)c[nH+]c1N ZINC001245300266 986787419 /nfs/dbraw/zinc/78/74/19/986787419.db2.gz LKOMXZLPEVKJAI-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Cn1ncc2cc(-c3cccc(S)c3)cnc21 ZINC001245471865 986864227 /nfs/dbraw/zinc/86/42/27/986864227.db2.gz JNFPQPXDLZUAOX-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Cc1cc(-c2cc(Cl)c(O)cc2F)ncn1 ZINC001245667697 987053877 /nfs/dbraw/zinc/05/38/77/987053877.db2.gz IFDQJHKSLUYKON-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CC[C@@H](C)N1N=C(c2ccncc2)CC1=O ZINC001245912471 987144101 /nfs/dbraw/zinc/14/41/01/987144101.db2.gz VNBBKGLUWJQZFV-SECBINFHSA-N 0 2 217.272 2.622 20 0 BFADLN CC[C@@H](C)n1[nH]c(-c2ccncc2)cc1=O ZINC001245912471 987144107 /nfs/dbraw/zinc/14/41/07/987144107.db2.gz VNBBKGLUWJQZFV-SECBINFHSA-N 0 2 217.272 2.622 20 0 BFADLN Cc1ccc(-c2cc(=O)n(C3CC3)[nH]2)cc1 ZINC001245918842 987156491 /nfs/dbraw/zinc/15/64/91/987156491.db2.gz FIAAYCNOWBNQAA-UHFFFAOYSA-N 0 2 214.268 2.899 20 0 BFADLN CCCN1N=C(c2ccc(F)c(F)c2)CC1=O ZINC001245945011 987218550 /nfs/dbraw/zinc/21/85/50/987218550.db2.gz FOGTZPOUIGGDIM-UHFFFAOYSA-N 0 2 238.237 2.944 20 0 BFADLN CCCn1[nH]c(-c2ccc(F)c(F)c2)cc1=O ZINC001245945011 987218563 /nfs/dbraw/zinc/21/85/63/987218563.db2.gz FOGTZPOUIGGDIM-UHFFFAOYSA-N 0 2 238.237 2.944 20 0 BFADLN CCCN1N=C(c2ccsc2)CC1=O ZINC001245949033 987226027 /nfs/dbraw/zinc/22/60/27/987226027.db2.gz MLKPALMQKUHGSM-UHFFFAOYSA-N 0 2 208.286 2.727 20 0 BFADLN CCCn1[nH]c(-c2ccsc2)cc1=O ZINC001245949033 987226039 /nfs/dbraw/zinc/22/60/39/987226039.db2.gz MLKPALMQKUHGSM-UHFFFAOYSA-N 0 2 208.286 2.727 20 0 BFADLN Cc1ccc(C2=NN(CC3CCC3)C(=O)C2)cn1 ZINC001245949339 987227317 /nfs/dbraw/zinc/22/73/17/987227317.db2.gz LIFMCJJSCVTDHA-UHFFFAOYSA-N 0 2 243.310 2.759 20 0 BFADLN Cc1ccc(-c2cc(=O)n(CC3CCC3)[nH]2)cn1 ZINC001245949339 987227335 /nfs/dbraw/zinc/22/73/35/987227335.db2.gz LIFMCJJSCVTDHA-UHFFFAOYSA-N 0 2 243.310 2.759 20 0 BFADLN CC/C=C\CNC(=O)c1cccc(Cl)c1O ZINC001117774957 987903107 /nfs/dbraw/zinc/90/31/07/987903107.db2.gz YMJGMRDMUNKIPR-ARJAWSKDSA-N 0 2 239.702 2.742 20 0 BFADLN CC/C=C/CNC(=O)c1cccc(Cl)c1O ZINC001117774958 987903695 /nfs/dbraw/zinc/90/36/95/987903695.db2.gz YMJGMRDMUNKIPR-ONEGZZNKSA-N 0 2 239.702 2.742 20 0 BFADLN COCc1cccc(CSc2nc(C)n[nH]2)c1 ZINC001324219280 988762615 /nfs/dbraw/zinc/76/26/15/988762615.db2.gz NPPBTYWYPFPZEQ-UHFFFAOYSA-N 0 2 249.339 2.552 20 0 BFADLN CC(C)ONC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001325261075 989134686 /nfs/dbraw/zinc/13/46/86/989134686.db2.gz LPDNSTQSYUVWNW-HNNXBMFYSA-N 0 2 247.338 2.737 20 0 BFADLN C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc(C(=O)[O-])cs1 ZINC001593199690 994179660 /nfs/dbraw/zinc/17/96/60/994179660.db2.gz YOPZHBIPCOQFJS-RITPCOANSA-N 0 2 249.282 2.751 20 0 BFADLN C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])cs1)C(F)F ZINC001593199688 994179681 /nfs/dbraw/zinc/17/96/81/994179681.db2.gz YOPZHBIPCOQFJS-NTSWFWBYSA-N 0 2 249.282 2.751 20 0 BFADLN C[C@H]([NH2+]CC(C)(F)F)c1cc(C(=O)[O-])cs1 ZINC001593241269 994437318 /nfs/dbraw/zinc/43/73/18/994437318.db2.gz ZALTZKASYWKKQU-LURJTMIESA-N 0 2 249.282 2.752 20 0 BFADLN CCCC1=NN(c2ccc(Cl)cn2)C(=O)C1 ZINC000629942821 361783292 /nfs/dbraw/zinc/78/32/92/361783292.db2.gz CGHAFCOJEDRCNT-UHFFFAOYSA-N 0 2 237.690 2.628 20 0 BFADLN CCCc1cc(=O)n(-c2ccc(Cl)cn2)[nH]1 ZINC000629942821 361783296 /nfs/dbraw/zinc/78/32/96/361783296.db2.gz CGHAFCOJEDRCNT-UHFFFAOYSA-N 0 2 237.690 2.628 20 0 BFADLN Cc1cccc(N2N=C3[C@@H](CC[C@@H]3C)C2=O)c1 ZINC000634583073 342800270 /nfs/dbraw/zinc/80/02/70/342800270.db2.gz KQFBLNWQDFTHPF-CMPLNLGQSA-N 0 2 228.295 2.744 20 0 BFADLN C/C=C/CN=c1[nH]c(C(F)(F)F)cs1 ZINC000624656393 342810156 /nfs/dbraw/zinc/81/01/56/342810156.db2.gz OEMVCLCKEGZPTO-NSCUHMNNSA-N 0 2 222.235 2.572 20 0 BFADLN CCCCC1=NN(Cc2ccccc2)C(=O)C1 ZINC000634583968 342825450 /nfs/dbraw/zinc/82/54/50/342825450.db2.gz NMYWQWYROUDTBD-UHFFFAOYSA-N 0 2 230.311 2.965 20 0 BFADLN CCc1ccccc1N1N=C(C)[C@@H](C)C1=O ZINC000634588652 342934912 /nfs/dbraw/zinc/93/49/12/342934912.db2.gz AHWGCRPLQCWQAS-SECBINFHSA-N 0 2 216.284 2.608 20 0 BFADLN O=C([O-])c1ccc(NCCC2CCCC2)[nH+]c1 ZINC000037741587 398334227 /nfs/dbraw/zinc/33/42/27/398334227.db2.gz CAXRBFCHGVJTSD-UHFFFAOYSA-N 0 2 234.299 2.772 20 0 BFADLN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(F)c3)N=C12 ZINC000634593677 342951410 /nfs/dbraw/zinc/95/14/10/342951410.db2.gz XGWCGYMRRNJAFN-KCJUWKMLSA-N 0 2 232.258 2.574 20 0 BFADLN CC[C@@H](C)C1=NN(c2ccc(C)cn2)C(=O)C1 ZINC000634597530 342974168 /nfs/dbraw/zinc/97/41/68/342974168.db2.gz MXUIMWZYAPETSE-SNVBAGLBSA-N 0 2 231.299 2.529 20 0 BFADLN CC[C@@H](C)c1cc(=O)n(-c2ccc(C)cn2)[nH]1 ZINC000634597530 342974170 /nfs/dbraw/zinc/97/41/70/342974170.db2.gz MXUIMWZYAPETSE-SNVBAGLBSA-N 0 2 231.299 2.529 20 0 BFADLN C[C@@H]1CCC[C@@H](N2N=C(c3ccoc3)CC2=O)C1 ZINC000634599966 342990609 /nfs/dbraw/zinc/99/06/09/342990609.db2.gz UAOQVROPECRFHX-ZYHUDNBSSA-N 0 2 246.310 2.795 20 0 BFADLN C[C@@H]1CCC[C@@H](n2[nH]c(-c3ccoc3)cc2=O)C1 ZINC000634599966 342990611 /nfs/dbraw/zinc/99/06/11/342990611.db2.gz UAOQVROPECRFHX-ZYHUDNBSSA-N 0 2 246.310 2.795 20 0 BFADLN CCC1=NN([C@@H]2CCC[C@@H](C)C2)C(=O)C1 ZINC000634599932 342990628 /nfs/dbraw/zinc/99/06/28/342990628.db2.gz SLBLZINQHLKWBD-MWLCHTKSSA-N 0 2 208.305 2.563 20 0 BFADLN CCCCCn1[nH]c2c(c1=O)CCCC2 ZINC000634619381 343018464 /nfs/dbraw/zinc/01/84/64/343018464.db2.gz XHPQVOYOHYBFTO-SNVBAGLBSA-N 0 2 208.305 2.565 20 0 BFADLN C[C@H](n1[nH]c2c(c1=O)C[C@H](C)CC2)C(F)(F)F ZINC000634630708 343041030 /nfs/dbraw/zinc/04/10/30/343041030.db2.gz CIOKYGORMNPRNS-GJMOJQLCSA-N 0 2 248.248 2.572 20 0 BFADLN CC1(C)CCC[C@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625559 343029917 /nfs/dbraw/zinc/02/99/17/343029917.db2.gz JHACTWPSIALTHJ-GXSJLCMTSA-N 0 2 220.316 2.563 20 0 BFADLN O=[S@@](CC[C@H]1CCCCO1)c1cccs1 ZINC000350552823 136361741 /nfs/dbraw/zinc/36/17/41/136361741.db2.gz GXRDVTXBJBGKQO-BMIGLBTASA-N 0 2 244.381 2.815 20 0 BFADLN CCC1(c2nc(C(C)(C)OC)no2)CCC1 ZINC000350505100 136361831 /nfs/dbraw/zinc/36/18/31/136361831.db2.gz XWQDCVMKCUQXLV-UHFFFAOYSA-N 0 2 224.304 2.783 20 0 BFADLN C[C@H](SCc1cnn[nH]1)c1ccccc1 ZINC000600603809 344338663 /nfs/dbraw/zinc/33/86/63/344338663.db2.gz SSLVNRMJCRKEKH-VIFPVBQESA-N 0 2 219.313 2.799 20 0 BFADLN CC[C@@H](Nc1nc(C)ns1)[C@@H]1CC1(C)C ZINC000418997835 192096563 /nfs/dbraw/zinc/09/65/63/192096563.db2.gz PCDBKRQVJMQZRD-DTWKUNHWSA-N 0 2 225.361 2.505 20 0 BFADLN Cc1cccc(C2(C(=O)NOCC(C)C)CC2)c1 ZINC000269690315 179051382 /nfs/dbraw/zinc/05/13/82/179051382.db2.gz NHXYPADGYJAULT-UHFFFAOYSA-N 0 2 247.338 2.730 20 0 BFADLN Cc1cccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)[nH+]1 ZINC000277480297 179145908 /nfs/dbraw/zinc/14/59/08/179145908.db2.gz QZHWKKVYFOJQQF-AWEZNQCLSA-N 0 2 245.370 2.819 20 0 BFADLN Cc1cc(=NC(=O)CCCC(C)(C)C)[nH]nc1C ZINC000359496501 187379786 /nfs/dbraw/zinc/37/97/86/187379786.db2.gz AOEFHDOXGCSYRE-UHFFFAOYSA-N 0 2 249.358 2.670 20 0 BFADLN Cc1n[nH]c(NC(=O)[C@@H](C)CCC(C)(C)C)n1 ZINC000273334413 180010035 /nfs/dbraw/zinc/01/00/35/180010035.db2.gz TZPXAMOGHGDWJA-QMMMGPOBSA-N 0 2 238.335 2.514 20 0 BFADLN Cc1n[nH]c(NC(=O)[C@H](C)CCC(C)(C)C)n1 ZINC000273334410 180012761 /nfs/dbraw/zinc/01/27/61/180012761.db2.gz TZPXAMOGHGDWJA-MRVPVSSYSA-N 0 2 238.335 2.514 20 0 BFADLN C/C=C(\CC)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000188107997 187486337 /nfs/dbraw/zinc/48/63/37/187486337.db2.gz LJKVXJOQWODEPL-RAJVOEEQSA-N 0 2 238.356 2.985 20 0 BFADLN Cc1nc(=N[C@H]2CCc3ccc(C)cc32)s[nH]1 ZINC000608085202 352871997 /nfs/dbraw/zinc/87/19/97/352871997.db2.gz BKTNYRKOEASGLC-LBPRGKRZSA-N 0 2 245.351 2.676 20 0 BFADLN CC[C@]1(C)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342899505 352914309 /nfs/dbraw/zinc/91/43/09/352914309.db2.gz FBIWCQFWVOEZER-OAHLLOKOSA-N 0 2 243.354 2.956 20 0 BFADLN CC(C)(SCc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000362399619 188071613 /nfs/dbraw/zinc/07/16/13/188071613.db2.gz BANNIIMCHYHIPP-UHFFFAOYSA-N 0 2 249.339 2.679 20 0 BFADLN CC1(C)CC[C@H]1N=c1nc(-c2ccccc2)o[nH]1 ZINC000343785681 353991421 /nfs/dbraw/zinc/99/14/21/353991421.db2.gz FXLMSVLQFUVNST-LLVKDONJSA-N 0 2 243.310 2.759 20 0 BFADLN O=c1nc(CC(F)(F)F)[nH]c2ccsc21 ZINC000334600269 354277331 /nfs/dbraw/zinc/27/73/31/354277331.db2.gz WILABQKDTXXXFJ-UHFFFAOYSA-N 0 2 234.202 2.502 20 0 BFADLN Cc1n[nH]c(=NC2CCC(C(F)F)CC2)s1 ZINC000334721411 354521704 /nfs/dbraw/zinc/52/17/04/354521704.db2.gz JLKSEYZYDYALOP-UHFFFAOYSA-N 0 2 247.314 2.504 20 0 BFADLN Cc1nsc(NCC2(C3CCC3)CCC2)n1 ZINC000413331759 191374443 /nfs/dbraw/zinc/37/44/43/191374443.db2.gz FMBUZAFACJKJPC-UHFFFAOYSA-N 0 2 237.372 2.651 20 0 BFADLN CC[C@]1(C(C)C)C[C@H]1Nc1nc(C)ns1 ZINC000413371746 191377174 /nfs/dbraw/zinc/37/71/74/191377174.db2.gz GUUNRMSQFJBIPL-MWLCHTKSSA-N 0 2 225.361 2.505 20 0 BFADLN CC[C@]1(C(C)C)C[C@H]1N=c1nc(C)[nH]s1 ZINC000413371746 191377177 /nfs/dbraw/zinc/37/71/77/191377177.db2.gz GUUNRMSQFJBIPL-MWLCHTKSSA-N 0 2 225.361 2.505 20 0 BFADLN CCn1c[nH+]cc1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480255 359317882 /nfs/dbraw/zinc/31/78/82/359317882.db2.gz JCTHLSGFZSVFOC-UHFFFAOYSA-N 0 2 233.359 2.669 20 0 BFADLN CC(C)(SCc1cnn[nH]1)c1ccccc1 ZINC000450933537 202311461 /nfs/dbraw/zinc/31/14/61/202311461.db2.gz DTNKQCFOJSOTQX-UHFFFAOYSA-N 0 2 233.340 2.973 20 0 BFADLN CCC[C@H]1CCCC[C@H]1N=c1[nH]ncs1 ZINC000578593961 366603118 /nfs/dbraw/zinc/60/31/18/366603118.db2.gz RKOKFPAZRXOZTE-VHSXEESVSA-N 0 2 225.361 2.731 20 0 BFADLN CCC[C@H](C)CCCSc1n[n-]c(=[NH2+])n1C ZINC000629125455 360893800 /nfs/dbraw/zinc/89/38/00/360893800.db2.gz YEIVTDIWTWSZMJ-VIFPVBQESA-N 0 2 242.392 2.536 20 0 BFADLN CC(C)(C)Cn1[nH]c2c(c1=O)CCCCC2 ZINC000614185629 363748745 /nfs/dbraw/zinc/74/87/45/363748745.db2.gz QVAJWVTXCIZUNA-SNVBAGLBSA-N 0 2 222.332 2.811 20 0 BFADLN CC(C)c1n[nH]c(=NCC2CC(C)C2)s1 ZINC000621354558 370290476 /nfs/dbraw/zinc/29/04/76/370290476.db2.gz NICVPKHLYSKQEL-UHFFFAOYSA-N 0 2 225.361 2.541 20 0 BFADLN CCCC[C@@H](C(=O)Nc1nc(C)n[nH]1)C(C)C ZINC000621879241 370578221 /nfs/dbraw/zinc/57/82/21/370578221.db2.gz QWJKCZGIXHLLSB-SNVBAGLBSA-N 0 2 238.335 2.514 20 0 BFADLN Cc1ccc(CCCSc2n[nH]c(=O)[nH]2)cc1 ZINC000194628969 206101650 /nfs/dbraw/zinc/10/16/50/206101650.db2.gz VZQFDSMRRBTIQR-UHFFFAOYSA-N 0 2 249.339 2.544 20 0 BFADLN c1nn[nH]c1CSCCCc1ccccc1 ZINC000296178298 183391972 /nfs/dbraw/zinc/39/19/72/183391972.db2.gz ZZHRVBNLGREONM-UHFFFAOYSA-N 0 2 233.340 2.671 20 0 BFADLN CCCCNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184167923 384575268 /nfs/dbraw/zinc/57/52/68/384575268.db2.gz ZWEDVLFAWLSTDW-UHFFFAOYSA-N 0 2 245.681 2.715 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000403372512 384644410 /nfs/dbraw/zinc/64/44/10/384644410.db2.gz JQBWOOAWIVQEOA-LPEHRKFASA-N 0 2 237.372 2.684 20 0 BFADLN CCCc1nsc(N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000403415574 384656684 /nfs/dbraw/zinc/65/66/84/384656684.db2.gz QZZLHPIXQZHFBS-LPEHRKFASA-N 0 2 237.372 2.513 20 0 BFADLN CCCc1nsc(N[C@@H]2CC23CCCC3)n1 ZINC000336752110 384752973 /nfs/dbraw/zinc/75/29/73/384752973.db2.gz DHBIYOWNLYMGDT-SECBINFHSA-N 0 2 237.372 2.657 20 0 BFADLN CC(C)CNC(=O)c1cc(F)cc(Cl)c1O ZINC000176962716 384825114 /nfs/dbraw/zinc/82/51/14/384825114.db2.gz AQZXHWYYRNPXNQ-UHFFFAOYSA-N 0 2 245.681 2.571 20 0 BFADLN CCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC000176964914 384828986 /nfs/dbraw/zinc/82/89/86/384828986.db2.gz DRGOBPDEBSNFDG-UHFFFAOYSA-N 0 2 245.681 2.715 20 0 BFADLN C[C@@H]1CN(c2[nH+]cccc2C(=O)[O-])CC(C)(C)C1 ZINC000647452598 385042514 /nfs/dbraw/zinc/04/25/14/385042514.db2.gz DGIWEYUSHWRDKN-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)=CCC[C@H](C)CC(=O)N=c1cccn[nH]1 ZINC000648293329 385127606 /nfs/dbraw/zinc/12/76/06/385127606.db2.gz BDIZFBBUBGTOOF-LBPRGKRZSA-N 0 2 247.342 2.610 20 0 BFADLN Cc1n[nH]c(=N[C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 ZINC000336711159 385799864 /nfs/dbraw/zinc/79/98/64/385799864.db2.gz SADMUOOTXMJJAH-GMTAPVOTSA-N 0 2 237.372 2.649 20 0 BFADLN Cc1n[nH]c(=N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1 ZINC000336711160 385800615 /nfs/dbraw/zinc/80/06/15/385800615.db2.gz SADMUOOTXMJJAH-HBNTYKKESA-N 0 2 237.372 2.649 20 0 BFADLN O=C([O-])c1cccc(NC[C@H]2CC=CCC2)[nH+]1 ZINC000051067413 386760540 /nfs/dbraw/zinc/76/05/40/386760540.db2.gz NEQCWKBDJYLDAO-JTQLQIEISA-N 0 2 232.283 2.548 20 0 BFADLN Cc1ccccc1-c1nsc(NC2CCC2)n1 ZINC000527881512 387770129 /nfs/dbraw/zinc/77/01/29/387770129.db2.gz GCPHZVKJLFTSPH-UHFFFAOYSA-N 0 2 245.351 2.900 20 0 BFADLN CC(C)[C@@H]1C[C@H]1CN=c1[nH]nc(C2CC2)s1 ZINC000450815563 388259099 /nfs/dbraw/zinc/25/90/99/388259099.db2.gz YPFHRVQLQYWZGQ-UWVGGRQHSA-N 0 2 237.372 2.541 20 0 BFADLN CC(C)(C)c1nc(=N[C@@H]2CC[C@@H](F)C2)s[nH]1 ZINC000336662526 388260315 /nfs/dbraw/zinc/26/03/15/388260315.db2.gz KLXNQVYROUYPCU-HTQZYQBOSA-N 0 2 243.351 2.560 20 0 BFADLN CC(C)(C)c1nsc(N[C@@H]2CC[C@@H](F)C2)n1 ZINC000336662526 388260317 /nfs/dbraw/zinc/26/03/17/388260317.db2.gz KLXNQVYROUYPCU-HTQZYQBOSA-N 0 2 243.351 2.560 20 0 BFADLN CC[C@H]1CCCCN1c1ccc(C(=O)[O-])c[nH+]1 ZINC000037083676 132343610 /nfs/dbraw/zinc/34/36/10/132343610.db2.gz RKTCKXPQWBMWAZ-NSHDSACASA-N 0 2 234.299 2.549 20 0 BFADLN CCC[N@H+](CC(=O)[O-])Cc1ccsc1Cl ZINC000263048113 135329106 /nfs/dbraw/zinc/32/91/06/135329106.db2.gz FGCXCQYNGFUJIW-UHFFFAOYSA-N 0 2 247.747 2.698 20 0 BFADLN CCC[N@@H+](CC(=O)[O-])Cc1ccsc1Cl ZINC000263048113 135329108 /nfs/dbraw/zinc/32/91/08/135329108.db2.gz FGCXCQYNGFUJIW-UHFFFAOYSA-N 0 2 247.747 2.698 20 0 BFADLN CC[N@H+](Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000342941772 135337512 /nfs/dbraw/zinc/33/75/12/135337512.db2.gz XSGVDDLEDBEIRT-UHFFFAOYSA-N 0 2 229.327 2.709 20 0 BFADLN O=C([O-])c1cccc(NCC2(C3CC3)CCC2)[nH+]1 ZINC000263349265 135347918 /nfs/dbraw/zinc/34/79/18/135347918.db2.gz OYMVZWGNWKNOGR-UHFFFAOYSA-N 0 2 246.310 2.772 20 0 BFADLN C[C@@H]1CN(c2cccc(C(=O)[O-])[nH+]2)CC(C)(C)C1 ZINC000263411344 135352116 /nfs/dbraw/zinc/35/21/16/135352116.db2.gz MKTNYWGFDVQEDY-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN F[C@@H]1CCC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000335377863 136086258 /nfs/dbraw/zinc/08/62/58/136086258.db2.gz FMBYDHMORLFGRK-RKDXNWHRSA-N 0 2 241.335 2.530 20 0 BFADLN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000414524635 397960142 /nfs/dbraw/zinc/96/01/42/397960142.db2.gz KGJYCYRITDYICR-GFCCVEGCSA-N 0 2 243.354 2.955 20 0 BFADLN Cc1csc(CNc2ccc(C(=O)[O-])c[nH+]2)c1 ZINC000394462863 410797556 /nfs/dbraw/zinc/79/75/56/410797556.db2.gz QDHLCUBAAOFYMO-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN CC(C)[C@@]1(C)C[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000397194776 410916715 /nfs/dbraw/zinc/91/67/15/410916715.db2.gz QVPRKOHIYKUYHT-ZWNOBZJWSA-N 0 2 234.299 2.626 20 0 BFADLN CCC1=NN(c2ccccc2F)C(=O)[C@@H]1C ZINC000104149308 410926294 /nfs/dbraw/zinc/92/62/94/410926294.db2.gz SGYCKYKIIQVAQE-MRVPVSSYSA-N 0 2 220.247 2.574 20 0 BFADLN CCC1=NN(c2ccccc2F)C(=O)[C@H]1C ZINC000104149312 410926992 /nfs/dbraw/zinc/92/69/92/410926992.db2.gz SGYCKYKIIQVAQE-QMMMGPOBSA-N 0 2 220.247 2.574 20 0 BFADLN CCC1=NN(c2cccc(C)c2)C(=O)[C@H]1C ZINC000110454737 411099482 /nfs/dbraw/zinc/09/94/82/411099482.db2.gz GNOHSQLWMUJBKP-JTQLQIEISA-N 0 2 216.284 2.744 20 0 BFADLN CCC1=NN(c2cccc(C)c2)C(=O)[C@@H]1C ZINC000110454735 411099590 /nfs/dbraw/zinc/09/95/90/411099590.db2.gz GNOHSQLWMUJBKP-SNVBAGLBSA-N 0 2 216.284 2.744 20 0 BFADLN CC1(CNc2ccc(C(=O)[O-])c[nH+]2)CCCC1 ZINC000113619329 411243055 /nfs/dbraw/zinc/24/30/55/411243055.db2.gz QEUGLHCSFDADFA-UHFFFAOYSA-N 0 2 234.299 2.772 20 0 BFADLN CC(C)n1cccc1C(=O)N(C)CCC1CC1 ZINC000156173445 167766689 /nfs/dbraw/zinc/76/66/89/167766689.db2.gz RXTYBVGGKANBMT-UHFFFAOYSA-N 0 2 234.343 2.941 20 0 BFADLN Cc1cccc(CNc2[nH+]cccc2C(=O)[O-])c1 ZINC000055358941 411398090 /nfs/dbraw/zinc/39/80/90/411398090.db2.gz QRPPMYAXGNVCAQ-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN Cc1cn[nH]c1CNc1[nH+]ccc(C)c1C1CC1 ZINC000657611688 411563135 /nfs/dbraw/zinc/56/31/35/411563135.db2.gz CUBGHFZGQQHTGM-UHFFFAOYSA-N 0 2 242.326 2.911 20 0 BFADLN CC[C@@H]1CC[C@H](C)N1c1cccc(C(=O)[O-])[nH+]1 ZINC000136205702 171057047 /nfs/dbraw/zinc/05/70/47/171057047.db2.gz MLDXUJWEEKXICQ-VHSXEESVSA-N 0 2 234.299 2.547 20 0 BFADLN CC[C@H](C)CONC(=O)C1(c2ccccc2)CC1 ZINC000293753211 171289558 /nfs/dbraw/zinc/28/95/58/171289558.db2.gz PHAUQAVTQSFDBE-LBPRGKRZSA-N 0 2 247.338 2.812 20 0 BFADLN CC[C@H](C)CONc1cncc(Cl)n1 ZINC000291848011 171290496 /nfs/dbraw/zinc/29/04/96/171290496.db2.gz MGADFPPPQBOQAQ-ZETCQYMHSA-N 0 2 215.684 2.520 20 0 BFADLN CC[C@H](C)CON=c1cncc(Cl)[nH]1 ZINC000291848011 171290498 /nfs/dbraw/zinc/29/04/98/171290498.db2.gz MGADFPPPQBOQAQ-ZETCQYMHSA-N 0 2 215.684 2.520 20 0 BFADLN CC[C@H](C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184162183 171336367 /nfs/dbraw/zinc/33/63/67/171336367.db2.gz QAAUHDCEHXYYLA-LURJTMIESA-N 0 2 245.681 2.713 20 0 BFADLN C[C@@H]1CCC[C@H](Nc2[nH+]cccc2C(=O)[O-])C1 ZINC000037251624 176145882 /nfs/dbraw/zinc/14/58/82/176145882.db2.gz SNORPGAFKRUYSI-ZJUUUORDSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@@H]1CC[C@@H](CN=c2[nH]nc(C3CC3)s2)C1 ZINC000336780770 176203553 /nfs/dbraw/zinc/20/35/53/176203553.db2.gz SAKOAWQGDOVEDR-RKDXNWHRSA-N 0 2 237.372 2.686 20 0 BFADLN C[C@H]1CCC[C@H](CCSc2n[nH]c(=O)[nH]2)C1 ZINC000338405137 177133316 /nfs/dbraw/zinc/13/33/16/177133316.db2.gz BUADIIQCAMMKCU-DTWKUNHWSA-N 0 2 241.360 2.819 20 0 BFADLN C[C@H]1CCC[C@H](Nc2[nH+]cccc2C(=O)[O-])C1 ZINC000037251626 177137937 /nfs/dbraw/zinc/13/79/37/177137937.db2.gz SNORPGAFKRUYSI-UWVGGRQHSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1CCC[C@H]1CN=c1[nH]nc(C2CC2)s1 ZINC000336780114 177139883 /nfs/dbraw/zinc/13/98/83/177139883.db2.gz QLWLJTVBQJKOIT-WPRPVWTQSA-N 0 2 237.372 2.686 20 0 BFADLN C[C@H]1CC[C@@H](CN=c2[nH]nc(C3CC3)s2)C1 ZINC000336780768 177189446 /nfs/dbraw/zinc/18/94/46/177189446.db2.gz SAKOAWQGDOVEDR-DTWKUNHWSA-N 0 2 237.372 2.686 20 0 BFADLN c1n[nH]c(=NCCC2=CCCCCC2)s1 ZINC000450446621 229165242 /nfs/dbraw/zinc/16/52/42/229165242.db2.gz PDTQCPDQRSFCFN-UHFFFAOYSA-N 0 2 223.345 2.653 20 0 BFADLN CC1(C)CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000087658558 487676436 /nfs/dbraw/zinc/67/64/36/487676436.db2.gz OZPVTAYOKPOZLQ-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N1c1ccc(C(=O)[O-])c[nH+]1 ZINC000136210299 487718296 /nfs/dbraw/zinc/71/82/96/487718296.db2.gz XESWIBVYOYEHGS-MWLCHTKSSA-N 0 2 234.299 2.547 20 0 BFADLN Cc1n[nH]c(=N[C@@H]2C[C@H]2c2ccccc2C)s1 ZINC000651395463 487724937 /nfs/dbraw/zinc/72/49/37/487724937.db2.gz NEXWFMOWRPKNHK-NWDGAFQWSA-N 0 2 245.351 2.545 20 0 BFADLN CC(C)C[C@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000185510826 487731177 /nfs/dbraw/zinc/73/11/77/487731177.db2.gz XXVFFMGSSVIFCD-VIFPVBQESA-N 0 2 246.314 2.579 20 0 BFADLN CCCC[C@H](CC)Oc1nc(C)[nH]c(=O)c1F ZINC001226418560 974891839 /nfs/dbraw/zinc/89/18/39/974891839.db2.gz BSCKSOUQFNICDH-VIFPVBQESA-N 0 2 242.294 2.977 20 0 BFADLN CN(c1cc[nH+]c(C(=O)[O-])c1)C1CCCCC1 ZINC000036896382 487747823 /nfs/dbraw/zinc/74/78/23/487747823.db2.gz GIURLVZEYYUQEB-UHFFFAOYSA-N 0 2 234.299 2.549 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CCC[C@@H](F)C2)n1 ZINC000571555940 323147974 /nfs/dbraw/zinc/14/79/74/323147974.db2.gz FBPUOSCWMPGGSN-RKDXNWHRSA-N 0 2 243.351 2.776 20 0 BFADLN CC[C@H]1CCC[C@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000544700750 325155687 /nfs/dbraw/zinc/15/56/87/325155687.db2.gz FIDUYLLVJCLXAI-VHSXEESVSA-N 0 2 237.347 2.780 20 0 BFADLN c1ccc(-c2nc(=NCCCC3CC3)[nH]o2)cc1 ZINC000547786386 325398248 /nfs/dbraw/zinc/39/82/48/325398248.db2.gz CNLBLAKKVDREHI-UHFFFAOYSA-N 0 2 243.310 2.761 20 0 BFADLN CC[C@@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667655412 488076232 /nfs/dbraw/zinc/07/62/32/488076232.db2.gz FFXXZFOPBXCIQA-CYBMUJFWSA-N 0 2 235.375 2.741 20 0 BFADLN CN(CCC(C)(C)C)c1ccc(C(=O)[O-])c[nH+]1 ZINC000399723107 487542115 /nfs/dbraw/zinc/54/21/15/487542115.db2.gz GDMYXASCYBRGMF-UHFFFAOYSA-N 0 2 236.315 2.652 20 0 BFADLN C[C@H]1CCC[C@H]1CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000230688710 488137006 /nfs/dbraw/zinc/13/70/06/488137006.db2.gz YNURZJASLKMRTA-UWVGGRQHSA-N 0 2 234.299 2.628 20 0 BFADLN CC(C)C[C@@H](C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000037265458 488247106 /nfs/dbraw/zinc/24/71/06/488247106.db2.gz YNYYTRVFYNNITF-SECBINFHSA-N 0 2 222.288 2.626 20 0 BFADLN CC[C@@]1(C)CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894087225 583298017 /nfs/dbraw/zinc/29/80/17/583298017.db2.gz VSWFLFQWSZMMOP-ZDUSSCGKSA-N 0 2 221.348 2.649 20 0 BFADLN O=C(NCCCC1CCC1)[C@@H](F)C(F)(F)F ZINC000855801729 588849106 /nfs/dbraw/zinc/84/91/06/588849106.db2.gz VVQCFXJNQQMSBX-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCCCC1CCC1)C(F)C(F)(F)F ZINC000855801729 588849107 /nfs/dbraw/zinc/84/91/07/588849107.db2.gz VVQCFXJNQQMSBX-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN CCCCS[C@@H](C)C(=O)NOCC1CCC1 ZINC000856347087 588868820 /nfs/dbraw/zinc/86/88/20/588868820.db2.gz XWQPKIFBPVLWNB-JTQLQIEISA-N 0 2 245.388 2.756 20 0 BFADLN CC(C)[C@@H](C)Sc1cc(Cl)[nH]c(=O)n1 ZINC000858429482 588953801 /nfs/dbraw/zinc/95/38/01/588953801.db2.gz HOSJBUKNWKRJMW-ZCFIWIBFSA-N 0 2 232.736 2.972 20 0 BFADLN CCC1=NN(c2ccc(F)c(F)c2)C(=O)[C@@H]1C ZINC000899360733 584206832 /nfs/dbraw/zinc/20/68/32/584206832.db2.gz OPRYELUJHNBPPI-SSDOTTSWSA-N 0 2 238.237 2.714 20 0 BFADLN C[C@H](CC1CC1)[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901719196 584483696 /nfs/dbraw/zinc/48/36/96/584483696.db2.gz FFKLKZWJAPSRTJ-SNVBAGLBSA-N 0 2 249.310 2.751 20 0 BFADLN Cc1cc(C)c(C(=O)[O-])cc1[NH2+]C(C)C ZINC000901722633 584484213 /nfs/dbraw/zinc/48/42/13/584484213.db2.gz QXSNYLYTBZKGQB-UHFFFAOYSA-N 0 2 207.273 2.822 20 0 BFADLN COc1ccc([NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)[O-])c(C)c1 ZINC000902100723 584525987 /nfs/dbraw/zinc/52/59/87/584525987.db2.gz HMKSYSPCBJJLKI-JLLWLGSASA-N 0 2 249.310 2.525 20 0 BFADLN CC[C@@H](C)OC(=O)c1cc(F)c(O)c(F)c1 ZINC000759544035 584906869 /nfs/dbraw/zinc/90/68/69/584906869.db2.gz ACJAECYMZSCOTH-ZCFIWIBFSA-N 0 2 230.210 2.626 20 0 BFADLN C[C@]1(NC(=O)[C@H](F)C(F)(F)F)CC=CCC1 ZINC000838318937 585053647 /nfs/dbraw/zinc/05/36/47/585053647.db2.gz XIOYYOFGCGIQMW-CBAPKCEASA-N 0 2 239.212 2.502 20 0 BFADLN C[C@]1(NC(=O)C(F)C(F)(F)F)CC=CCC1 ZINC000838318937 585053648 /nfs/dbraw/zinc/05/36/48/585053648.db2.gz XIOYYOFGCGIQMW-CBAPKCEASA-N 0 2 239.212 2.502 20 0 BFADLN CCCC(C)(C)NC(=O)[C@@H](F)C(F)(F)F ZINC000788126706 585082992 /nfs/dbraw/zinc/08/29/92/585082992.db2.gz MDYWTDNLKHFUBQ-ZCFIWIBFSA-N 0 2 229.217 2.582 20 0 BFADLN CCCC(C)(C)NC(=O)C(F)C(F)(F)F ZINC000788126706 585082993 /nfs/dbraw/zinc/08/29/93/585082993.db2.gz MDYWTDNLKHFUBQ-ZCFIWIBFSA-N 0 2 229.217 2.582 20 0 BFADLN CCCN(C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C ZINC000839299983 585101044 /nfs/dbraw/zinc/10/10/44/585101044.db2.gz MQTNNLYDEFPDCL-SSDOTTSWSA-N 0 2 243.244 2.924 20 0 BFADLN CCCN(C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000839299983 585101045 /nfs/dbraw/zinc/10/10/45/585101045.db2.gz MQTNNLYDEFPDCL-SSDOTTSWSA-N 0 2 243.244 2.924 20 0 BFADLN CC(C)CC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000764075656 585459345 /nfs/dbraw/zinc/45/93/45/585459345.db2.gz NGBZAJCSXDEVGM-HTQZYQBOSA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)CC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000764075656 585459346 /nfs/dbraw/zinc/45/93/46/585459346.db2.gz NGBZAJCSXDEVGM-HTQZYQBOSA-N 0 2 243.244 2.828 20 0 BFADLN CCCCN(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC000764266152 585463223 /nfs/dbraw/zinc/46/32/23/585463223.db2.gz NDLNFBPQTBLIIX-MRVPVSSYSA-N 0 2 241.228 2.678 20 0 BFADLN CCCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC000764266152 585463224 /nfs/dbraw/zinc/46/32/24/585463224.db2.gz NDLNFBPQTBLIIX-MRVPVSSYSA-N 0 2 241.228 2.678 20 0 BFADLN CC(C)N(C)C(=O)c1cccc(Cl)c1O ZINC000775657203 585682199 /nfs/dbraw/zinc/68/21/99/585682199.db2.gz YAAXSDISRKVICX-UHFFFAOYSA-N 0 2 227.691 2.526 20 0 BFADLN CCCN(C)C(=O)c1cccc(Cl)c1O ZINC000775681018 585683061 /nfs/dbraw/zinc/68/30/61/585683061.db2.gz ABAGCNYLJZLJMX-UHFFFAOYSA-N 0 2 227.691 2.528 20 0 BFADLN C[C@@H]1CCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775691249 585683147 /nfs/dbraw/zinc/68/31/47/585683147.db2.gz ONPDAQJMPLKURX-MRVPVSSYSA-N 0 2 239.702 2.528 20 0 BFADLN C[C@H]1CCCN1C(=O)c1cccc(Cl)c1O ZINC000775766531 585684443 /nfs/dbraw/zinc/68/44/43/585684443.db2.gz YWUDTBLLVLPPKT-QMMMGPOBSA-N 0 2 239.702 2.670 20 0 BFADLN CC1CC(NC(=O)c2cccc(Cl)c2O)C1 ZINC000775768445 585684525 /nfs/dbraw/zinc/68/45/25/585684525.db2.gz PRRJHZCQFOUEOY-UHFFFAOYSA-N 0 2 239.702 2.574 20 0 BFADLN CCS[C@@H](C(=O)NOC[C@H](C)CC)C(C)C ZINC000794841066 586050533 /nfs/dbraw/zinc/05/05/33/586050533.db2.gz CJSMIOPHXUMPSM-GHMZBOCLSA-N 0 2 247.404 2.858 20 0 BFADLN CC(C)[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC000810203478 586536730 /nfs/dbraw/zinc/53/67/30/586536730.db2.gz ADUXBZGLZAMYRC-SFYZADRCSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000810203478 586536731 /nfs/dbraw/zinc/53/67/31/586536731.db2.gz ADUXBZGLZAMYRC-SFYZADRCSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H](CCC1CC1)NC(=O)[C@H](F)C(F)(F)F ZINC000811115674 586555358 /nfs/dbraw/zinc/55/53/58/586555358.db2.gz IZUZZHVUDOFKSE-XPUUQOCRSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H](CCC1CC1)NC(=O)C(F)C(F)(F)F ZINC000811115674 586555359 /nfs/dbraw/zinc/55/53/59/586555359.db2.gz IZUZZHVUDOFKSE-XPUUQOCRSA-N 0 2 241.228 2.582 20 0 BFADLN CCCC[C@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000812381370 586575124 /nfs/dbraw/zinc/57/51/24/586575124.db2.gz RMUZROKDFCQRIJ-JGVFFNPUSA-N 0 2 243.244 2.924 20 0 BFADLN CCCC[C@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000812381370 586575125 /nfs/dbraw/zinc/57/51/25/586575125.db2.gz RMUZROKDFCQRIJ-JGVFFNPUSA-N 0 2 243.244 2.924 20 0 BFADLN CCCC[C@@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000812381368 586575152 /nfs/dbraw/zinc/57/51/52/586575152.db2.gz RMUZROKDFCQRIJ-HTQZYQBOSA-N 0 2 243.244 2.924 20 0 BFADLN CCCC[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000812381368 586575153 /nfs/dbraw/zinc/57/51/53/586575153.db2.gz RMUZROKDFCQRIJ-HTQZYQBOSA-N 0 2 243.244 2.924 20 0 BFADLN CCC[C@@H](C(=O)NOC1CCC1)c1ccccn1 ZINC000812794813 586585686 /nfs/dbraw/zinc/58/56/86/586585686.db2.gz QGTKUBNDXVYKQX-GFCCVEGCSA-N 0 2 248.326 2.566 20 0 BFADLN CCCCS[C@H](C)C(=O)NOC1CCC1 ZINC000812796277 586586257 /nfs/dbraw/zinc/58/62/57/586586257.db2.gz VZKFDSLUWMOZNR-SECBINFHSA-N 0 2 231.361 2.509 20 0 BFADLN CC(C)(C)C(C)(C)NC(=O)[C@H](F)C(F)(F)F ZINC000816752909 586762297 /nfs/dbraw/zinc/76/22/97/586762297.db2.gz SAYQVWDCNQKKGM-LURJTMIESA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)(C)C(C)(C)NC(=O)C(F)C(F)(F)F ZINC000816752909 586762298 /nfs/dbraw/zinc/76/22/98/586762298.db2.gz SAYQVWDCNQKKGM-LURJTMIESA-N 0 2 243.244 2.828 20 0 BFADLN Cc1cc([NH2+][C@@H](C)C(=O)[O-])ccc1OC(C)C ZINC000818849360 586914100 /nfs/dbraw/zinc/91/41/00/586914100.db2.gz ZSOMXJIAGBAQFL-JTQLQIEISA-N 0 2 237.299 2.667 20 0 BFADLN c1[nH+]c2n(c1C[N@@H+]1CCC3(CCCC3)C1)CCC2 ZINC000824782060 587287275 /nfs/dbraw/zinc/28/72/75/587287275.db2.gz DDGIPPPTUUZGGU-UHFFFAOYSA-N 0 2 245.370 2.595 20 0 BFADLN CCCCNC(=O)c1cccc(Cl)c1O ZINC000005513853 588227506 /nfs/dbraw/zinc/22/75/06/588227506.db2.gz HABQHJCQMQOTGD-UHFFFAOYSA-N 0 2 227.691 2.576 20 0 BFADLN CCCC1=NN(C[C@@H]2CCCC2(F)F)C(=O)C1 ZINC000871962446 589847470 /nfs/dbraw/zinc/84/74/70/589847470.db2.gz BZPJFRBAZIVMJA-VIFPVBQESA-N 0 2 244.285 2.810 20 0 BFADLN CCC[C@@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000881532388 591231549 /nfs/dbraw/zinc/23/15/49/591231549.db2.gz RBBDQOOAHQEONP-HTQZYQBOSA-N 0 2 243.244 2.829 20 0 BFADLN CCC[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC000881532388 591231550 /nfs/dbraw/zinc/23/15/50/591231550.db2.gz RBBDQOOAHQEONP-HTQZYQBOSA-N 0 2 243.244 2.829 20 0 BFADLN Cc1ccnc(N2N=C(C3CCCC3)CC2=O)c1 ZINC000132865631 591742712 /nfs/dbraw/zinc/74/27/12/591742712.db2.gz HFBNCOUGEMOUIU-UHFFFAOYSA-N 0 2 243.310 2.673 20 0 BFADLN Cc1ccnc(-n2[nH]c(C3CCCC3)cc2=O)c1 ZINC000132865631 591742714 /nfs/dbraw/zinc/74/27/14/591742714.db2.gz HFBNCOUGEMOUIU-UHFFFAOYSA-N 0 2 243.310 2.673 20 0 BFADLN O=C([O-])c1ccc[nH+]c1N1CCC2(CCC2)CC1 ZINC000308435661 631331111 /nfs/dbraw/zinc/33/11/11/631331111.db2.gz MRUSYMOMMGFBON-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN CCCCCCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000153552806 641818213 /nfs/dbraw/zinc/81/82/13/641818213.db2.gz JOQOCGDFLJJAOL-UHFFFAOYSA-N 0 2 246.314 2.867 20 0 BFADLN O=C(/C=C/c1cocn1)c1ccc(O)c(Cl)c1 ZINC000191339724 641916349 /nfs/dbraw/zinc/91/63/49/641916349.db2.gz MQYAIKWAHRCNJX-DUXPYHPUSA-N 0 2 249.653 2.930 20 0 BFADLN O=C([O-])c1ccc(N2CCC[C@H]3CCC[C@@H]32)[nH+]c1 ZINC000087777840 644500956 /nfs/dbraw/zinc/50/09/56/644500956.db2.gz PUNSKNIJBHPFIX-PWSUYJOCSA-N 0 2 246.310 2.549 20 0 BFADLN O=C([O-])c1ccc(NC2CCC=CCC2)[nH+]c1 ZINC000718127953 712746437 /nfs/dbraw/zinc/74/64/37/712746437.db2.gz CYYSNAXVCAGMGS-UHFFFAOYSA-N 0 2 232.283 2.691 20 0 BFADLN Oc1c(Cl)cc(CN2CCCO2)cc1Cl ZINC001140829594 960609351 /nfs/dbraw/zinc/60/93/51/960609351.db2.gz JYWAFDAWECOUQC-UHFFFAOYSA-N 0 2 248.109 2.836 20 0 BFADLN Oc1c(Cl)ccc(-c2ccncn2)c1F ZINC001250491506 967958760 /nfs/dbraw/zinc/95/87/60/967958760.db2.gz FOJJMSIBEQQMAX-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN CCC[C@@H](O)CNc1ccccc1S ZINC001252788442 968964524 /nfs/dbraw/zinc/96/45/24/968964524.db2.gz XVXHSUJLBKSXQQ-SECBINFHSA-N 0 2 211.330 2.548 20 0 BFADLN Cc1n[nH]c(SC2CC3(CCC3)C2)n1 ZINC001332319360 975054499 /nfs/dbraw/zinc/05/44/99/975054499.db2.gz IMOLSRZMIDCRLA-UHFFFAOYSA-N 0 2 209.318 2.538 20 0 BFADLN CC(C)CC[C@@H](C)Oc1nc(=O)[nH]cc1F ZINC001225881482 974715871 /nfs/dbraw/zinc/71/58/71/974715871.db2.gz JCLYOYHAAIRLKG-MRVPVSSYSA-N 0 2 228.267 2.525 20 0 BFADLN Oc1ccc(Cl)cc1-c1ncc(CF)cn1 ZINC001245050536 971602897 /nfs/dbraw/zinc/60/28/97/971602897.db2.gz HYYDCERIXUOKNX-UHFFFAOYSA-N 0 2 238.649 2.972 20 0 BFADLN CCCC1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000050906536 957494962 /nfs/dbraw/zinc/49/49/62/957494962.db2.gz XFUHCEHPVOFGJO-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN Nc1ccc2cnn(-c3cccc(S)c3)c2c1 ZINC001210946171 957953551 /nfs/dbraw/zinc/95/35/51/957953551.db2.gz FKHZSETXLQFIJT-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN C=C(Nc1cnnc(O)c1Cl)c1ccccc1 ZINC001210982464 957967297 /nfs/dbraw/zinc/96/72/97/957967297.db2.gz MIKLWRBLLTWWOS-UHFFFAOYSA-N 0 2 247.685 2.918 20 0 BFADLN C[N@@H+](Cc1ncc(C(F)(F)F)[nH]1)C1CCCC1 ZINC001137016474 972326600 /nfs/dbraw/zinc/32/66/00/972326600.db2.gz YSLPPVCVBHBVLY-UHFFFAOYSA-N 0 2 247.264 2.803 20 0 BFADLN Cc1ccsc1CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000094879168 958317891 /nfs/dbraw/zinc/31/78/91/958317891.db2.gz MECOWSIXINWJOQ-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN C[C@H](CNc1ccc(C(=O)[O-])c[nH+]1)C(C)(C)C ZINC000162906123 959221356 /nfs/dbraw/zinc/22/13/56/959221356.db2.gz NQJOCAFXCGONLU-SECBINFHSA-N 0 2 236.315 2.874 20 0 BFADLN CC(C)c1nnc(Nc2c(O)cccc2F)o1 ZINC001249989146 967235757 /nfs/dbraw/zinc/23/57/57/967235757.db2.gz MTVZSYCWXJWUSM-UHFFFAOYSA-N 0 2 237.234 2.781 20 0 BFADLN Cc1ncccc1Nc1nnc(-c2ccco2)o1 ZINC001205338892 967556364 /nfs/dbraw/zinc/55/63/64/967556364.db2.gz YCWKZNHVLLDJJG-UHFFFAOYSA-N 0 2 242.238 2.777 20 0 BFADLN Cc1ccnc(-c2c(F)ccc(C)c2O)n1 ZINC001250455382 967880345 /nfs/dbraw/zinc/88/03/45/967880345.db2.gz IZSBTTMNRANBLV-UHFFFAOYSA-N 0 2 218.231 2.605 20 0 BFADLN CCCC[C@H](O)CNc1ccccc1S ZINC001252100308 968581892 /nfs/dbraw/zinc/58/18/92/968581892.db2.gz RWSQTDNTDLCXGG-JTQLQIEISA-N 0 2 225.357 2.938 20 0 BFADLN CCn1cc(-c2cccc(S)c2)cn1 ZINC001240648703 968620129 /nfs/dbraw/zinc/62/01/29/968620129.db2.gz CBEWDCCIAJDTKH-UHFFFAOYSA-N 0 2 204.298 2.859 20 0 BFADLN CC(C)(C)[C@@H](O)CNc1ccc(S)cc1 ZINC001253732747 969356053 /nfs/dbraw/zinc/35/60/53/969356053.db2.gz FBEBFMKTDKIOIP-NSHDSACASA-N 0 2 225.357 2.794 20 0 BFADLN Cc1cc(C)[nH+]c(Nc2ccc(C(=O)[O-])nc2)c1 ZINC001210170312 969819094 /nfs/dbraw/zinc/81/90/94/969819094.db2.gz VHAUPULNRWHROM-UHFFFAOYSA-N 0 2 243.266 2.535 20 0 BFADLN Nc1cn(-c2cccc(S)c2)c2ncccc12 ZINC001210945543 970079097 /nfs/dbraw/zinc/07/90/97/970079097.db2.gz NTVKODKMZLNOJT-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN Sc1cccc(-c2ccc3nc[nH]c3n2)c1 ZINC001242865707 970116504 /nfs/dbraw/zinc/11/65/04/970116504.db2.gz NHCAUYOUKFMZEP-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN CCCN(CC)Cc1c(F)cc(O)cc1F ZINC001144541165 972860736 /nfs/dbraw/zinc/86/07/36/972860736.db2.gz CPZJRYZVRQHXOH-UHFFFAOYSA-N 0 2 229.270 2.902 20 0 BFADLN CCC[C@H](CC)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225559396 974555665 /nfs/dbraw/zinc/55/56/65/974555665.db2.gz POEXKSWJPIOOTH-ZETCQYMHSA-N 0 2 230.695 2.793 20 0 BFADLN C[C@H]1CCCC[C@@H]1Oc1nc(Cl)cc(=O)[nH]1 ZINC001225561139 974555770 /nfs/dbraw/zinc/55/57/70/974555770.db2.gz YGKQSFZHJRGGAW-YUMQZZPRSA-N 0 2 242.706 2.793 20 0 BFADLN CC[C@H](Oc1nc(Cl)cc(=O)[nH]1)C(C)C ZINC001225562977 974557551 /nfs/dbraw/zinc/55/75/51/974557551.db2.gz PGWBSERFYJFBPE-ZETCQYMHSA-N 0 2 230.695 2.649 20 0 BFADLN CC[C@@H](C)[C@H](C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225563983 974558281 /nfs/dbraw/zinc/55/82/81/974558281.db2.gz VZNAXAMAGYNFOX-RQJHMYQMSA-N 0 2 230.695 2.649 20 0 BFADLN CC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[nH]cc1F ZINC001225881074 974712723 /nfs/dbraw/zinc/71/27/23/974712723.db2.gz DQJKCKMXGNKWML-SCZZXKLOSA-N 0 2 240.278 2.669 20 0 BFADLN CC1(C)CCC(Oc2nc(=O)[nH]cc2F)CC1 ZINC001225882073 974715274 /nfs/dbraw/zinc/71/52/74/974715274.db2.gz PAUXGMCBDRSDDC-UHFFFAOYSA-N 0 2 240.278 2.669 20 0 BFADLN CC(C)CCC[C@H](C)Oc1nc(=O)[nH]cc1F ZINC001225886078 974718291 /nfs/dbraw/zinc/71/82/91/974718291.db2.gz SLCGYOQBVZRNEI-VIFPVBQESA-N 0 2 242.294 2.915 20 0 BFADLN Cc1nc(O[C@H](C)C2CCCC2)c(F)c(=O)[nH]1 ZINC001226424616 974893822 /nfs/dbraw/zinc/89/38/22/974893822.db2.gz RBSKXOLBVOTDBS-SSDOTTSWSA-N 0 2 240.278 2.587 20 0 BFADLN CC(C)Oc1cc(F)cc(Nc2nnco2)c1 ZINC001175140567 977287048 /nfs/dbraw/zinc/28/70/48/977287048.db2.gz QVGKWHYBZDAUSQ-UHFFFAOYSA-N 0 2 237.234 2.740 20 0 BFADLN CCC[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001336141148 977535094 /nfs/dbraw/zinc/53/50/94/977535094.db2.gz KGXGRVOLDGQHDZ-HTQZYQBOSA-N 0 2 241.228 2.678 20 0 BFADLN CCC[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001336141148 977535109 /nfs/dbraw/zinc/53/51/09/977535109.db2.gz KGXGRVOLDGQHDZ-HTQZYQBOSA-N 0 2 241.228 2.678 20 0 BFADLN c1nnc(Nc2ccc(-c3ccccc3)nc2)o1 ZINC001175833770 977754057 /nfs/dbraw/zinc/75/40/57/977754057.db2.gz ZGPBGJHUJKDVKJ-UHFFFAOYSA-N 0 2 238.250 2.875 20 0 BFADLN Cc1ccc(Nc2cncc(C(=O)[O-])c2)c(C)[nH+]1 ZINC001175840280 977756119 /nfs/dbraw/zinc/75/61/19/977756119.db2.gz ZZMJLDRDHREGAK-UHFFFAOYSA-N 0 2 243.266 2.535 20 0 BFADLN Cc1nnc(Nc2cnn(C3CCCCC3)c2)o1 ZINC001175878614 977770136 /nfs/dbraw/zinc/77/01/36/977770136.db2.gz JRXVKMILABHUPO-UHFFFAOYSA-N 0 2 247.302 2.823 20 0 BFADLN Cc1cc(NCc2cc(C(=O)[O-])co2)c[nH+]c1C ZINC001600282213 978687198 /nfs/dbraw/zinc/68/71/98/978687198.db2.gz FCXNBLXOGAJYJS-UHFFFAOYSA-N 0 2 246.266 2.602 20 0 BFADLN Cc1ccc(NCCC(C)(F)F)[nH+]c1C(=O)[O-] ZINC001600459904 978694229 /nfs/dbraw/zinc/69/42/29/978694229.db2.gz VYVWJBSPTGPGFA-UHFFFAOYSA-N 0 2 244.241 2.545 20 0 BFADLN Cc1ccc(N[C@@H]2CC[C@@H](C)C2)[nH+]c1C(=O)[O-] ZINC001600459809 978694240 /nfs/dbraw/zinc/69/42/40/978694240.db2.gz LKTYYRNCVVBLEK-PSASIEDQSA-N 0 2 234.299 2.689 20 0 BFADLN Cc1ccc(NC2CC3(CCC3)C2)[nH+]c1C(=O)[O-] ZINC001600460546 978696402 /nfs/dbraw/zinc/69/64/02/978696402.db2.gz XEPFLHHVADAZGV-UHFFFAOYSA-N 0 2 246.310 2.833 20 0 BFADLN CC[C@H](C)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234815604 978906766 /nfs/dbraw/zinc/90/67/66/978906766.db2.gz XKGUZIYRQAZXKO-QMMMGPOBSA-N 0 2 248.278 2.984 20 0 BFADLN CC[C@@H](C)Oc1cc(O)cc2oc(C)cc(=O)c12 ZINC001234815603 978906959 /nfs/dbraw/zinc/90/69/59/978906959.db2.gz XKGUZIYRQAZXKO-MRVPVSSYSA-N 0 2 248.278 2.984 20 0 BFADLN Cc1ccc(F)c(-c2ncc(F)c(C)n2)c1O ZINC001236390977 979574468 /nfs/dbraw/zinc/57/44/68/979574468.db2.gz GVHINYOZOHBWJF-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN CCc1cnc(-c2c(F)ccc(C)c2O)nc1 ZINC001236390979 979575761 /nfs/dbraw/zinc/57/57/61/979575761.db2.gz KWLJRBIWAIQINR-UHFFFAOYSA-N 0 2 232.258 2.859 20 0 BFADLN CCC[C@H](C)Nc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001605208752 979837988 /nfs/dbraw/zinc/83/79/88/979837988.db2.gz XCLUAMOBTMNHMY-VIFPVBQESA-N 0 2 222.288 2.689 20 0 BFADLN Cc1ccc(NCC2=CCCC2)[nH+]c1C(=O)[O-] ZINC001607809282 980130971 /nfs/dbraw/zinc/13/09/71/980130971.db2.gz PWVHKPSXGVQFHD-UHFFFAOYSA-N 0 2 232.283 2.610 20 0 BFADLN NC(=O)c1cccc(-c2ccccc2S)c1 ZINC001239884060 981017867 /nfs/dbraw/zinc/01/78/67/981017867.db2.gz FROQWFKEHPDAAZ-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN CCCc1ccnc(-c2cc(F)ccc2O)n1 ZINC001240694500 981598926 /nfs/dbraw/zinc/59/89/26/981598926.db2.gz VXGHWPHGSGFKOT-UHFFFAOYSA-N 0 2 232.258 2.941 20 0 BFADLN Oc1ccc(F)cc1-c1ncc2cccnc2n1 ZINC001240694580 981604764 /nfs/dbraw/zinc/60/47/64/981604764.db2.gz ZJENCUARULQGPT-UHFFFAOYSA-N 0 2 241.225 2.537 20 0 BFADLN Cc1ccccc1[C@@H]([NH2+]Cc1nnc[nH]1)C(C)C ZINC001350370416 981947096 /nfs/dbraw/zinc/94/70/96/981947096.db2.gz ASBCFRVSXKDXEY-AWEZNQCLSA-N 0 2 244.342 2.600 20 0 BFADLN CN(C)c1nccnc1-c1cccc(Cl)c1O ZINC001242362556 983652453 /nfs/dbraw/zinc/65/24/53/983652453.db2.gz JHSMWXLUENISRX-UHFFFAOYSA-N 0 2 249.701 2.569 20 0 BFADLN CC(C)(C)NC(=O)Nc1ccc(S)cc1 ZINC001202478301 983741896 /nfs/dbraw/zinc/74/18/96/983741896.db2.gz FBAHHVRTVSDDSY-UHFFFAOYSA-N 0 2 224.329 2.895 20 0 BFADLN O=c1cccc(Nc2ccccc2S)[nH]1 ZINC001212790270 984033813 /nfs/dbraw/zinc/03/38/13/984033813.db2.gz AVLREZQBCXNQSO-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN [S-]c1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001242865406 984209539 /nfs/dbraw/zinc/20/95/39/984209539.db2.gz DOVBNPUNYZPYOY-UHFFFAOYSA-N 0 2 227.292 2.865 20 0 BFADLN NC(=O)Cc1ccccc1-c1cccc(S)c1 ZINC001242866694 984212819 /nfs/dbraw/zinc/21/28/19/984212819.db2.gz FFJHNMMNKINEJB-UHFFFAOYSA-N 0 2 243.331 2.670 20 0 BFADLN CCn1ccc(-c2cccc(S)c2)cc1=O ZINC001242868205 984215605 /nfs/dbraw/zinc/21/56/05/984215605.db2.gz ZQAAPTDELNYGAZ-UHFFFAOYSA-N 0 2 231.320 2.824 20 0 BFADLN Cn1c[nH+]cc1-c1ccc2oc(=S)[n-]c2c1 ZINC001243068413 984489886 /nfs/dbraw/zinc/48/98/86/984489886.db2.gz WGCVARNBPHJDGP-UHFFFAOYSA-N 0 2 231.280 2.517 20 0 BFADLN Cc1ccc(-c2ccc(C)c(C(=O)[O-])c2)[nH+]c1N ZINC001243193827 984672129 /nfs/dbraw/zinc/67/21/29/984672129.db2.gz QICMTYOUASCPGA-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Nc1[nH+]cccc1-c1ccccc1[S-] ZINC001243474536 985032324 /nfs/dbraw/zinc/03/23/24/985032324.db2.gz NIADZRZVCZUIQJ-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN Nc1[nH+]cccc1-c1ccc([S-])c(F)c1 ZINC001243477542 985037202 /nfs/dbraw/zinc/03/72/02/985037202.db2.gz SPOYBMNDCYUFSD-UHFFFAOYSA-N 0 2 220.272 2.759 20 0 BFADLN Cc1ncnc(-c2cc(F)cc(F)c2O)c1F ZINC001243499890 985053347 /nfs/dbraw/zinc/05/33/47/985053347.db2.gz HSVLRCCIIXIACT-UHFFFAOYSA-N 0 2 240.184 2.575 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cccc2[nH]nnc21 ZINC001243506163 985061400 /nfs/dbraw/zinc/06/14/00/985061400.db2.gz YOJZAPUULNKZSK-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN CC(C)(CO)n1cc(-c2cccc(S)c2)cn1 ZINC001244103080 985815252 /nfs/dbraw/zinc/81/52/52/985815252.db2.gz NHHREKCYWYZENL-UHFFFAOYSA-N 0 2 248.351 2.566 20 0 BFADLN Oc1c(F)cc(-c2cccnn2)cc1Cl ZINC001244500255 986203873 /nfs/dbraw/zinc/20/38/73/986203873.db2.gz NAMAUVHHKJHYJI-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Oc1c(F)cc(-c2ccc(F)nn2)cc1Cl ZINC001244500150 986209094 /nfs/dbraw/zinc/20/90/94/986209094.db2.gz HTWUEGGJPCOYEZ-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN Nc1cccnc1-c1cc(F)c(O)c(Cl)c1 ZINC001244500731 986212890 /nfs/dbraw/zinc/21/28/90/986212890.db2.gz PLWCQEXAHQNYRL-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN Nc1ccc(-c2ccc(Cl)c(O)c2F)nc1 ZINC001244630280 986291994 /nfs/dbraw/zinc/29/19/94/986291994.db2.gz HYVVVABZOMPVCI-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN Nc1cccnc1-c1ccc(Cl)c(O)c1F ZINC001244630865 986294716 /nfs/dbraw/zinc/29/47/16/986294716.db2.gz REUIEBIPYPKNQT-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN Oc1ccc(-c2[nH]ccc3ncnc2-3)c(Cl)c1 ZINC001245082648 986651634 /nfs/dbraw/zinc/65/16/34/986651634.db2.gz XUQXFGUAQLZXSD-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN O=c1cc(C2CC2)[nH]n1-c1nc2ccccc2o1 ZINC001245910093 987137920 /nfs/dbraw/zinc/13/79/20/987137920.db2.gz CEKAEZDUVGEVGI-UHFFFAOYSA-N 0 2 241.250 2.597 20 0 BFADLN CC(C)N1N=C(c2cccc(F)c2)CC1=O ZINC001245919444 987156653 /nfs/dbraw/zinc/15/66/53/987156653.db2.gz BZNQLYXPADSGGZ-UHFFFAOYSA-N 0 2 220.247 2.976 20 0 BFADLN CC(C)n1[nH]c(-c2cccc(F)c2)cc1=O ZINC001245919444 987156672 /nfs/dbraw/zinc/15/66/72/987156672.db2.gz BZNQLYXPADSGGZ-UHFFFAOYSA-N 0 2 220.247 2.976 20 0 BFADLN CCCn1[nH]c(-c2ccc(F)cc2)cc1=O ZINC001245918365 987158801 /nfs/dbraw/zinc/15/88/01/987158801.db2.gz RXTKUEFYNOUEMM-UHFFFAOYSA-N 0 2 220.247 2.805 20 0 BFADLN CC1=NN(CCc2cccc(Cl)c2)C(=O)C1 ZINC001245928144 987190207 /nfs/dbraw/zinc/19/02/07/987190207.db2.gz OJAZRQMXBZAABK-UHFFFAOYSA-N 0 2 236.702 2.793 20 0 BFADLN CC1=NN(C[C@H](C)c2ccccc2)C(=O)C1 ZINC001245928020 987191100 /nfs/dbraw/zinc/19/11/00/987191100.db2.gz IGLWGHCWMOUZFO-JTQLQIEISA-N 0 2 216.284 2.701 20 0 BFADLN Cc1ccc(-n2[nH]c(-c3ccoc3)cc2=O)cn1 ZINC001245939778 987212613 /nfs/dbraw/zinc/21/26/13/987212613.db2.gz SBEXNEJAXKWVFS-UHFFFAOYSA-N 0 2 241.250 2.541 20 0 BFADLN CC[C@@H](C)n1[nH]c(-c2ccc(O)cc2)cc1=O ZINC001245941138 987214230 /nfs/dbraw/zinc/21/42/30/987214230.db2.gz JTYZDKLZTWPJPW-SECBINFHSA-N 0 2 232.283 2.932 20 0 BFADLN O=C1CC(c2ccc(Cl)nc2)=NN1C1CC1 ZINC001245947108 987224061 /nfs/dbraw/zinc/22/40/61/987224061.db2.gz ZRIIOEKNMBZIPI-UHFFFAOYSA-N 0 2 235.674 2.639 20 0 BFADLN Cc1ccc(C2=NN(C(C)C)C(=O)C2)cn1 ZINC001245948173 987225301 /nfs/dbraw/zinc/22/53/01/987225301.db2.gz GHSJLPGYCVHHMR-UHFFFAOYSA-N 0 2 217.272 2.540 20 0 BFADLN O=C1CC(c2ccc(Cl)nc2)=NN1CC1CC1 ZINC001245949102 987227897 /nfs/dbraw/zinc/22/78/97/987227897.db2.gz NWLPLXLEPYOQEJ-UHFFFAOYSA-N 0 2 249.701 2.714 20 0 BFADLN CC[C@@H](C)C[C@H](C)N=c1ccc(SC)n[nH]1 ZINC000393753553 994002360 /nfs/dbraw/zinc/00/23/60/994002360.db2.gz QQRZBMSHKFQWPG-ZJUUUORDSA-N 0 2 239.388 2.857 20 0 BFADLN C[C@H]([NH2+][C@@H](C)C(F)F)c1cc(C(=O)[O-])cs1 ZINC001593199691 994179855 /nfs/dbraw/zinc/17/98/55/994179855.db2.gz YOPZHBIPCOQFJS-WDSKDSINSA-N 0 2 249.282 2.751 20 0 BFADLN CC(C)c1n[nH]c(=NCC2(C(F)F)CC2)s1 ZINC000336748639 398198557 /nfs/dbraw/zinc/19/85/57/398198557.db2.gz SXCCFQSJDKQVJY-UHFFFAOYSA-N 0 2 247.314 2.541 20 0 BFADLN C[C@@H]1CCC2=NN(c3ccc(F)cc3)C(=O)[C@@H]2C1 ZINC000634582851 342799736 /nfs/dbraw/zinc/79/97/36/342799736.db2.gz DDZDYEVIQXQONU-BXKDBHETSA-N 0 2 246.285 2.965 20 0 BFADLN C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3F)N=C12 ZINC000634587214 342931050 /nfs/dbraw/zinc/93/10/50/342931050.db2.gz HYLOUZVOFNWPJT-IUCAKERBSA-N 0 2 232.258 2.574 20 0 BFADLN CCc1ccccc1N1N=C2[C@@H](C)CC[C@@H]2C1=O ZINC000634589189 342935199 /nfs/dbraw/zinc/93/51/99/342935199.db2.gz QJSWQHVHGLETKB-JQWIXIFHSA-N 0 2 242.322 2.998 20 0 BFADLN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(F)c3)N=C12 ZINC000634593679 342951399 /nfs/dbraw/zinc/95/13/99/342951399.db2.gz XGWCGYMRRNJAFN-LDYMZIIASA-N 0 2 232.258 2.574 20 0 BFADLN CC(C)n1[nH]c(-c2ccc(Cl)cc2)cc1=O ZINC000634595073 342956634 /nfs/dbraw/zinc/95/66/34/342956634.db2.gz PPEBLMGVYYGZHI-UHFFFAOYSA-N 0 2 236.702 2.685 20 0 BFADLN C[C@H]1CCC[C@@H](N2N=C(c3ccoc3)CC2=O)C1 ZINC000634599963 342990766 /nfs/dbraw/zinc/99/07/66/342990766.db2.gz UAOQVROPECRFHX-CMPLNLGQSA-N 0 2 246.310 2.795 20 0 BFADLN C[C@H]1CCC[C@@H](n2[nH]c(-c3ccoc3)cc2=O)C1 ZINC000634599963 342990768 /nfs/dbraw/zinc/99/07/68/342990768.db2.gz UAOQVROPECRFHX-CMPLNLGQSA-N 0 2 246.310 2.795 20 0 BFADLN CCCC1=NN([C@H]2CCC[C@@H](C)C2)C(=O)C1 ZINC000634599087 342987076 /nfs/dbraw/zinc/98/70/76/342987076.db2.gz AGTVYOMLGYDTRG-PWSUYJOCSA-N 0 2 222.332 2.954 20 0 BFADLN Cc1ccc(F)c(N2N=C3[C@H](C)CC[C@@H]3C2=O)c1 ZINC000634611570 343008526 /nfs/dbraw/zinc/00/85/26/343008526.db2.gz YAYOFVLUDFQCCR-ZJUUUORDSA-N 0 2 246.285 2.883 20 0 BFADLN CCCC1=NN(CCC(C)(C)C)C(=O)C1 ZINC000634620570 343019649 /nfs/dbraw/zinc/01/96/49/343019649.db2.gz ILUSHELYBICFAF-UHFFFAOYSA-N 0 2 210.321 2.811 20 0 BFADLN CC1=NN([C@@H](Cc2ccccc2)C(C)C)C(=O)C1 ZINC000634621580 343020342 /nfs/dbraw/zinc/02/03/42/343020342.db2.gz KOFINKALIAYYAH-AWEZNQCLSA-N 0 2 244.338 2.862 20 0 BFADLN CCc1nsc(N[C@H]2CCCC(F)(F)C2)n1 ZINC000335596489 345414016 /nfs/dbraw/zinc/41/40/16/345414016.db2.gz PPKQUZDGVSXXQH-ZETCQYMHSA-N 0 2 247.314 2.512 20 0 BFADLN C[C@@H](Sc1n[nH]c(=O)[nH]1)c1cccc(F)c1 ZINC000187634506 346593251 /nfs/dbraw/zinc/59/32/51/346593251.db2.gz JEQOXBRFRAVXIB-ZCFIWIBFSA-N 0 2 239.275 2.503 20 0 BFADLN CN(Cc1ccccc1)C(=O)[C@@H](F)C(F)(F)F ZINC000277602199 538011274 /nfs/dbraw/zinc/01/12/74/538011274.db2.gz XPQPIFIUUQCVAU-SECBINFHSA-N 0 2 249.207 2.545 20 0 BFADLN CN(Cc1ccccc1)C(=O)C(F)C(F)(F)F ZINC000277602199 538011280 /nfs/dbraw/zinc/01/12/80/538011280.db2.gz XPQPIFIUUQCVAU-SECBINFHSA-N 0 2 249.207 2.545 20 0 BFADLN C/C=C/C=C/C(=O)Nc1ccnn1C(C)(C)C ZINC000107123117 191068745 /nfs/dbraw/zinc/06/87/45/191068745.db2.gz RBNGUHZTRKKUFG-BSWSSELBSA-N 0 2 233.315 2.709 20 0 BFADLN C[C@H]1c2ccccc2C[N@H+]1CCc1c[nH+]cn1C ZINC000334557535 354004215 /nfs/dbraw/zinc/00/42/15/354004215.db2.gz CZJXXNJNFVGCQO-LBPRGKRZSA-N 0 2 241.338 2.539 20 0 BFADLN CCn1c[nH+]cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000334598076 354232819 /nfs/dbraw/zinc/23/28/19/354232819.db2.gz UPDOALJTTYBOBQ-OCCSQVGLSA-N 0 2 233.359 2.668 20 0 BFADLN C[C@@H]1CC[C@@H]1Nc1nc(C2CCCC2)ns1 ZINC000420643760 192254105 /nfs/dbraw/zinc/25/41/05/192254105.db2.gz WGZMDWKKHSCLPA-SCZZXKLOSA-N 0 2 237.372 2.828 20 0 BFADLN CCC[C@@H](Cc1ccccc1)N=c1[nH]ncs1 ZINC000450306540 202125933 /nfs/dbraw/zinc/12/59/33/202125933.db2.gz CYCWNQFKLAHWDP-LBPRGKRZSA-N 0 2 247.367 2.783 20 0 BFADLN Cc1cccc(C)c1[C@@H](C)N=c1[nH]ncs1 ZINC000450443159 202168355 /nfs/dbraw/zinc/16/83/55/202168355.db2.gz ZSADPJSVPFRJGD-SNVBAGLBSA-N 0 2 233.340 2.750 20 0 BFADLN CC[C@@H](N=c1nc(C(C)(C)C)[nH]s1)C(F)F ZINC000450560041 202199328 /nfs/dbraw/zinc/19/93/28/202199328.db2.gz HHLOUFCCUQWNFU-ZCFIWIBFSA-N 0 2 249.330 2.713 20 0 BFADLN c1n[nH]c(=NC[C@@H]2C[C@H]2C2CCCCC2)s1 ZINC000450545639 202194223 /nfs/dbraw/zinc/19/42/23/202194223.db2.gz ZNYCEMLPCUBRTG-QWRGUYRKSA-N 0 2 237.372 2.588 20 0 BFADLN CCCCc1n[nH]c(=NCC(C)(C)C)s1 ZINC000389886274 357059547 /nfs/dbraw/zinc/05/95/47/357059547.db2.gz RRPCIMYGQCOIMW-UHFFFAOYSA-N 0 2 227.377 2.761 20 0 BFADLN CC(C)=CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000191628821 357779852 /nfs/dbraw/zinc/77/98/52/357779852.db2.gz IXGJITGTZSOXDZ-UHFFFAOYSA-N 0 2 229.327 2.699 20 0 BFADLN Cc1cccc(Nc2cccc(C(=O)[O-])c2)[nH+]1 ZINC000584597898 358255829 /nfs/dbraw/zinc/25/58/29/358255829.db2.gz WJUBQVBBXLXQSY-UHFFFAOYSA-N 0 2 228.251 2.832 20 0 BFADLN CCC[C@H]1CCCC[C@@H]1N=c1[nH]ncs1 ZINC000578593960 366603335 /nfs/dbraw/zinc/60/33/35/366603335.db2.gz RKOKFPAZRXOZTE-UWVGGRQHSA-N 0 2 225.361 2.731 20 0 BFADLN O=C([O-])c1ccc[nH+]c1N1CCCC2(CC2)CC1 ZINC000629769034 361691051 /nfs/dbraw/zinc/69/10/51/361691051.db2.gz AJGNWSWPZJZTGV-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN C[C@@H]1CC[C@@H](c2nc(=O)c3sccc3[nH]2)O1 ZINC000630384551 364097271 /nfs/dbraw/zinc/09/72/71/364097271.db2.gz BNYWUFJHYMUEGX-SVRRBLITSA-N 0 2 236.296 2.637 20 0 BFADLN C[C@@H]1CC[C@H](c2nc(=O)c3sccc3[nH]2)O1 ZINC000630384549 364097665 /nfs/dbraw/zinc/09/76/65/364097665.db2.gz BNYWUFJHYMUEGX-HTRCEHHLSA-N 0 2 236.296 2.637 20 0 BFADLN CCCC[C@H](C)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000443531729 193023721 /nfs/dbraw/zinc/02/37/21/193023721.db2.gz MDOXJMKILLQXIZ-JTQLQIEISA-N 0 2 247.342 2.541 20 0 BFADLN CC[C@@H](C)N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000183529014 367028772 /nfs/dbraw/zinc/02/87/72/367028772.db2.gz PJAMAKKEAMTIQJ-SSDOTTSWSA-N 0 2 243.253 2.541 20 0 BFADLN CC(C)c1nsc(NC(C)(C)C(C)C)n1 ZINC000580896883 367201441 /nfs/dbraw/zinc/20/14/41/367201441.db2.gz SZNITTBMVIVCTE-UHFFFAOYSA-N 0 2 227.377 2.930 20 0 BFADLN CC[C@H](Nc1nc(C)ns1)C1CCCC1 ZINC000382775135 367556228 /nfs/dbraw/zinc/55/62/28/367556228.db2.gz OEBBDLRXYSJINX-JTQLQIEISA-N 0 2 225.361 2.649 20 0 BFADLN CC[C@@H](Nc1nc(C)ns1)C1CCCC1 ZINC000382775136 367556309 /nfs/dbraw/zinc/55/63/09/367556309.db2.gz OEBBDLRXYSJINX-SNVBAGLBSA-N 0 2 225.361 2.649 20 0 BFADLN CC[C@@H](CC(=O)Nc1nc(C)n[nH]1)C(C)(C)C ZINC000630924854 367963048 /nfs/dbraw/zinc/96/30/48/367963048.db2.gz XMACNSKPUVLBDL-VIFPVBQESA-N 0 2 238.335 2.514 20 0 BFADLN CC[N@H+](CCCCF)c1cccc(C(=O)[O-])c1 ZINC000566573087 326065847 /nfs/dbraw/zinc/06/58/47/326065847.db2.gz OHGIEKWMIDWNKQ-UHFFFAOYSA-N 0 2 239.290 2.961 20 0 BFADLN CC[N@@H+](CCCCF)c1cccc(C(=O)[O-])c1 ZINC000566573087 326065848 /nfs/dbraw/zinc/06/58/48/326065848.db2.gz OHGIEKWMIDWNKQ-UHFFFAOYSA-N 0 2 239.290 2.961 20 0 BFADLN C[C@H]1CCCC[C@@H]1Nc1[nH+]cccc1C(=O)[O-] ZINC000020000244 371215195 /nfs/dbraw/zinc/21/51/95/371215195.db2.gz WKWDPQCMTIJIJA-ONGXEEELSA-N 0 2 234.299 2.770 20 0 BFADLN O=C(NCCC1=CCCC1)[C@H](F)C(F)(F)F ZINC000278472499 182151917 /nfs/dbraw/zinc/15/19/17/182151917.db2.gz WYWJAXUNKLWZMN-QMMMGPOBSA-N 0 2 239.212 2.503 20 0 BFADLN O=C(NCCC1=CCCC1)C(F)C(F)(F)F ZINC000278472499 182151918 /nfs/dbraw/zinc/15/19/18/182151918.db2.gz WYWJAXUNKLWZMN-QMMMGPOBSA-N 0 2 239.212 2.503 20 0 BFADLN Cc1ccccc1[C@@H](C)Sc1n[nH]c(=O)[nH]1 ZINC000194628691 206101531 /nfs/dbraw/zinc/10/15/31/206101531.db2.gz NRRHRZHCIFMYAM-MRVPVSSYSA-N 0 2 235.312 2.672 20 0 BFADLN CCC[C@@H](CC)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000050406316 169380029 /nfs/dbraw/zinc/38/00/29/169380029.db2.gz WQKPKJXKZHQNFZ-SECBINFHSA-N 0 2 222.288 2.770 20 0 BFADLN O=C([O-])CCC[N@@H+]1CCCCc2ccccc21 ZINC000088334033 383895066 /nfs/dbraw/zinc/89/50/66/383895066.db2.gz HYCOHNJDKFJKEQ-UHFFFAOYSA-N 0 2 233.311 2.694 20 0 BFADLN O=C([O-])CCC[N@H+]1CCCCc2ccccc21 ZINC000088334033 383895070 /nfs/dbraw/zinc/89/50/70/383895070.db2.gz HYCOHNJDKFJKEQ-UHFFFAOYSA-N 0 2 233.311 2.694 20 0 BFADLN CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccsc1 ZINC000294178021 384269855 /nfs/dbraw/zinc/26/98/55/384269855.db2.gz DJLAYWRWMXCGGM-GFCCVEGCSA-N 0 2 235.356 2.686 20 0 BFADLN CC(C)c1n[nH]c(=NCC2CCCC2)s1 ZINC000336749700 384683853 /nfs/dbraw/zinc/68/38/53/384683853.db2.gz FHFUXVOMRUCISR-UHFFFAOYSA-N 0 2 225.361 2.686 20 0 BFADLN CCCCCC(C)(C)C(=O)Nc1nc(C)n[nH]1 ZINC000084599036 384884200 /nfs/dbraw/zinc/88/42/00/384884200.db2.gz YMXQMWDZHRRNLY-UHFFFAOYSA-N 0 2 238.335 2.658 20 0 BFADLN C[C@@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1(C)C ZINC000647452693 385041809 /nfs/dbraw/zinc/04/18/09/385041809.db2.gz IFDMQLVLRVNMKP-SNVBAGLBSA-N 0 2 248.326 2.652 20 0 BFADLN CCCCC[C@H](CC)C(=O)Nc1nc(C)n[nH]1 ZINC000180368578 385519720 /nfs/dbraw/zinc/51/97/20/385519720.db2.gz IZXBQAOKJOQRTR-JTQLQIEISA-N 0 2 238.335 2.658 20 0 BFADLN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000181052241 385561645 /nfs/dbraw/zinc/56/16/45/385561645.db2.gz HVTZEZPXXUUXLF-RKDXNWHRSA-N 0 2 246.314 2.579 20 0 BFADLN O=C([O-])c1ccc(NC2CCCCCC2)[nH+]c1 ZINC000036963115 385593728 /nfs/dbraw/zinc/59/37/28/385593728.db2.gz UYWAKETVVDEBDU-UHFFFAOYSA-N 0 2 234.299 2.915 20 0 BFADLN Cc1n[nH]c(=N[C@@H]2CC[C@H]3CCC[C@H]3C2)s1 ZINC000336711161 385801027 /nfs/dbraw/zinc/80/10/27/385801027.db2.gz SADMUOOTXMJJAH-OUAUKWLOSA-N 0 2 237.372 2.649 20 0 BFADLN Cc1nsc(NC(C2CCC2)C2CCC2)n1 ZINC000336715211 385811744 /nfs/dbraw/zinc/81/17/44/385811744.db2.gz VLVTVNGPLWNGLK-UHFFFAOYSA-N 0 2 237.372 2.649 20 0 BFADLN CC(C)(C)[C@H]1CCC[C@H]1N=c1[nH]ncs1 ZINC000413585245 385847767 /nfs/dbraw/zinc/84/77/67/385847767.db2.gz UOCIMNGSIGHGJM-DTWKUNHWSA-N 0 2 225.361 2.587 20 0 BFADLN CC(C)c1nsc(N[C@@H]2C[C@H]2C2CCC2)n1 ZINC000644879706 385983636 /nfs/dbraw/zinc/98/36/36/385983636.db2.gz GIVFZXIKFFOSRO-VHSXEESVSA-N 0 2 237.372 2.684 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@@H]2CC2(C)C)s1 ZINC000336768966 385973605 /nfs/dbraw/zinc/97/36/05/385973605.db2.gz VDPKPUQLFLVPDF-QMMMGPOBSA-N 0 2 225.361 2.541 20 0 BFADLN C[C@@H](CSCc1cnn[nH]1)c1ccccc1 ZINC000295314007 386011413 /nfs/dbraw/zinc/01/14/13/386011413.db2.gz LAXUWEUDHZIEIA-JTQLQIEISA-N 0 2 233.340 2.842 20 0 BFADLN CCSCCCN=c1[nH]nc(C(C)C)s1 ZINC000336753571 386065722 /nfs/dbraw/zinc/06/57/22/386065722.db2.gz GYTFKODALHZAEC-UHFFFAOYSA-N 0 2 245.417 2.639 20 0 BFADLN C[C@@H]1c2ccsc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000336555621 387377685 /nfs/dbraw/zinc/37/76/85/387377685.db2.gz JSFZKJHSSRPZPA-LLVKDONJSA-N 0 2 247.367 2.564 20 0 BFADLN CCC[C@H](C(=O)N=c1cc(C)c(C)n[nH]1)C(C)C ZINC000489910640 388227761 /nfs/dbraw/zinc/22/77/61/388227761.db2.gz ZVNCRAMJJRHTQF-LBPRGKRZSA-N 0 2 249.358 2.526 20 0 BFADLN CC[N@H+](CC1(CC(=O)[O-])CC1)c1ccccc1 ZINC000088255926 388375909 /nfs/dbraw/zinc/37/59/09/388375909.db2.gz PKNZKHGTZRWQOL-UHFFFAOYSA-N 0 2 233.311 2.768 20 0 BFADLN CC[N@@H+](CC1(CC(=O)[O-])CC1)c1ccccc1 ZINC000088255926 388375914 /nfs/dbraw/zinc/37/59/14/388375914.db2.gz PKNZKHGTZRWQOL-UHFFFAOYSA-N 0 2 233.311 2.768 20 0 BFADLN C[C@H]1CC[C@@H]1Nc1nc(-c2ccccc2)ns1 ZINC000553319089 388763630 /nfs/dbraw/zinc/76/36/30/388763630.db2.gz RDKFYRXZZBSQMQ-ONGXEEELSA-N 0 2 245.351 2.837 20 0 BFADLN CC(C)C[C@H]1CCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263305966 135345614 /nfs/dbraw/zinc/34/56/14/135345614.db2.gz FCYRDHZZGSFECS-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN CNc1nnc(SCC2(C)CCC2)s1 ZINC000306262818 135370034 /nfs/dbraw/zinc/37/00/34/135370034.db2.gz XWVRRGVHSKGDER-UHFFFAOYSA-N 0 2 229.374 2.862 20 0 BFADLN CCn1c(C(C)C)nnc1N1CCC2(CCC2)C1 ZINC000334357467 135370170 /nfs/dbraw/zinc/37/01/70/135370170.db2.gz QDMGDJIDTRSRGL-UHFFFAOYSA-N 0 2 248.374 2.802 20 0 BFADLN CN(C(=O)c1cc(F)c[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000334354173 135370292 /nfs/dbraw/zinc/37/02/92/135370292.db2.gz JKLFNCFNHODTLT-SNVBAGLBSA-N 0 2 238.306 2.805 20 0 BFADLN CCC1=NN(c2ccc(CC)cc2)C(=O)[C@@H]1C ZINC000307981327 397976720 /nfs/dbraw/zinc/97/67/20/397976720.db2.gz CZXMARGTQBGMDN-SNVBAGLBSA-N 0 2 230.311 2.998 20 0 BFADLN C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CC1(C)C ZINC000668814802 487583497 /nfs/dbraw/zinc/58/34/97/487583497.db2.gz UWRGFOYLMWXCBJ-GFCCVEGCSA-N 0 2 243.354 2.812 20 0 BFADLN CCc1nsc(NC2(CC)CCCC2)n1 ZINC000394555660 410807319 /nfs/dbraw/zinc/80/73/19/410807319.db2.gz JKMOIPFQVDYGFL-UHFFFAOYSA-N 0 2 225.361 2.657 20 0 BFADLN CC1=NN(c2cc(C)ccc2C)C(=O)[C@@H]1C ZINC000103294648 410889325 /nfs/dbraw/zinc/88/93/25/410889325.db2.gz NOEMYYRYLCFFKR-SNVBAGLBSA-N 0 2 216.284 2.662 20 0 BFADLN O=c1cc(-c2ccccc2)[nH]n1C1CCCC1 ZINC000103548954 410902471 /nfs/dbraw/zinc/90/24/71/410902471.db2.gz TWDRGTRIQBLOCZ-UHFFFAOYSA-N 0 2 228.295 2.566 20 0 BFADLN CCCCn1[nH]c2c(c1=O)CCCCC2 ZINC000103466233 410898281 /nfs/dbraw/zinc/89/82/81/410898281.db2.gz WMSBDOWRDWNSHI-JTQLQIEISA-N 0 2 208.305 2.565 20 0 BFADLN CCCCn1[nH]c2c(c1=O)CCCCC2 ZINC000103466232 410898802 /nfs/dbraw/zinc/89/88/02/410898802.db2.gz WMSBDOWRDWNSHI-SNVBAGLBSA-N 0 2 208.305 2.565 20 0 BFADLN C[C@H](CCC1CC1)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000398456842 410963551 /nfs/dbraw/zinc/96/35/51/410963551.db2.gz HHZZIJBLFRGLKX-SECBINFHSA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@@H](C)[C@H](C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000042559524 411016745 /nfs/dbraw/zinc/01/67/45/411016745.db2.gz WOIPHHJBHAROEB-BDAKNGLRSA-N 0 2 222.288 2.626 20 0 BFADLN CCC1=NN(Cc2ccccc2Cl)C(=O)C1 ZINC000109223863 411149545 /nfs/dbraw/zinc/14/95/45/411149545.db2.gz XWABZUJLDOUATI-UHFFFAOYSA-N 0 2 236.702 2.838 20 0 BFADLN CCC1=NN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000109223838 411149752 /nfs/dbraw/zinc/14/97/52/411149752.db2.gz OVLDREXXVNVBDO-UHFFFAOYSA-N 0 2 236.702 2.838 20 0 BFADLN CC(C)=CCCNc1[nH+]cccc1C(=O)[O-] ZINC000397785539 411241934 /nfs/dbraw/zinc/24/19/34/411241934.db2.gz YFXDWLVNUYYUFQ-UHFFFAOYSA-N 0 2 220.272 2.548 20 0 BFADLN CCC[C@H](CC)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000050406302 411261318 /nfs/dbraw/zinc/26/13/18/411261318.db2.gz PNHOUYYJUMKXDL-JTQLQIEISA-N 0 2 222.288 2.770 20 0 BFADLN Cc1cc2[nH]c([C@@H]3CCCO3)nc(=O)c2s1 ZINC000656490912 411285557 /nfs/dbraw/zinc/28/55/57/411285557.db2.gz HMDANMLIQSSPCT-QMMMGPOBSA-N 0 2 236.296 2.557 20 0 BFADLN CC[C@@H]1CC[C@H](C)N(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000312691487 411304008 /nfs/dbraw/zinc/30/40/08/411304008.db2.gz SCJZPNUPQGTREM-WDEREUQCSA-N 0 2 248.326 2.795 20 0 BFADLN C[C@@H](Nc1cc[nH+]c(C(=O)[O-])c1)C1CCCC1 ZINC000070308364 411373327 /nfs/dbraw/zinc/37/33/27/411373327.db2.gz ZGCOOZRKKJVEBM-SECBINFHSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H](Nc1cc[nH+]c(C(=O)[O-])c1)C1CCCC1 ZINC000070308363 411373504 /nfs/dbraw/zinc/37/35/04/411373504.db2.gz ZGCOOZRKKJVEBM-VIFPVBQESA-N 0 2 234.299 2.770 20 0 BFADLN CCC1(C)CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000062959711 411334757 /nfs/dbraw/zinc/33/47/57/411334757.db2.gz BTUGRRIDWFCMTK-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN CC(C)(C)c1n[nH]c(=NCCC2(C)CC2)s1 ZINC000336671859 168018105 /nfs/dbraw/zinc/01/81/05/168018105.db2.gz NUILEFCJQQZYOT-UHFFFAOYSA-N 0 2 239.388 2.860 20 0 BFADLN CC(C)C[C@@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000307811388 411485944 /nfs/dbraw/zinc/48/59/44/411485944.db2.gz IPJLYGRYIYFTJJ-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN CC[C@@H](Nc1cccc(C(=O)[O-])[nH+]1)C(C)C ZINC000051043716 170915664 /nfs/dbraw/zinc/91/56/64/170915664.db2.gz YFRNNDNMDLCYGE-SECBINFHSA-N 0 2 222.288 2.626 20 0 BFADLN CC[C@H](C)CCC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000342252786 171266119 /nfs/dbraw/zinc/26/61/19/171266119.db2.gz IXKUZSRZXVSPAJ-JTQLQIEISA-N 0 2 247.342 2.541 20 0 BFADLN CC[C@H](C)CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000353606174 171268170 /nfs/dbraw/zinc/26/81/70/171268170.db2.gz MLPMAONDEBDROY-VIFPVBQESA-N 0 2 246.314 2.723 20 0 BFADLN C[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000019845098 176089403 /nfs/dbraw/zinc/08/94/03/176089403.db2.gz YYGIJQKCONGPJR-MWLCHTKSSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@@H]1CCC[C@@H](CCSc2n[nH]c(=O)[nH]2)C1 ZINC000338405135 176117667 /nfs/dbraw/zinc/11/76/67/176117667.db2.gz BUADIIQCAMMKCU-BDAKNGLRSA-N 0 2 241.360 2.819 20 0 BFADLN C[C@H]1CCC[C@@H]1CN=c1[nH]nc(C2CC2)s1 ZINC000336780113 177123935 /nfs/dbraw/zinc/12/39/35/177123935.db2.gz QLWLJTVBQJKOIT-WCBMZHEXSA-N 0 2 237.372 2.686 20 0 BFADLN Cc1nc(O[C@H]2CCCC[C@H]2C)c(F)c(=O)[nH]1 ZINC001226419063 974890765 /nfs/dbraw/zinc/89/07/65/974890765.db2.gz FVENNPDALTUYHA-APPZFPTMSA-N 0 2 240.278 2.587 20 0 BFADLN CC(C)(C)C(C)(C)NC(=O)[C@@H](F)C(F)(F)F ZINC000816752910 586762430 /nfs/dbraw/zinc/76/24/30/586762430.db2.gz SAYQVWDCNQKKGM-ZCFIWIBFSA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)(C)C(C)(C)NC(=O)C(F)C(F)(F)F ZINC000816752910 586762431 /nfs/dbraw/zinc/76/24/31/586762431.db2.gz SAYQVWDCNQKKGM-ZCFIWIBFSA-N 0 2 243.244 2.828 20 0 BFADLN O=C([O-])c1cccc(NC[C@@H]2C[C@H]2C2CCC2)[nH+]1 ZINC000567674604 326243112 /nfs/dbraw/zinc/24/31/12/326243112.db2.gz SYQOKBCCLLCOIY-QWRGUYRKSA-N 0 2 246.310 2.628 20 0 BFADLN CCC[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667673943 488082882 /nfs/dbraw/zinc/08/28/82/488082882.db2.gz SPTBAJYMZMOGTD-CYBMUJFWSA-N 0 2 247.386 2.841 20 0 BFADLN C[C@@H]1CC[C@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000230429305 488105220 /nfs/dbraw/zinc/10/52/20/488105220.db2.gz VDADRJDOIDBTLD-ZJUUUORDSA-N 0 2 234.299 2.628 20 0 BFADLN C[C@H]1CC[C@H]2C(=O)N(c3ccc(F)cc3)N=C21 ZINC000634583456 491087158 /nfs/dbraw/zinc/08/71/58/491087158.db2.gz WXFRJFNEJOVFGC-GZMMTYOYSA-N 0 2 232.258 2.574 20 0 BFADLN CC[C@H](C)CSc1cc(Cl)[nH]c(=O)n1 ZINC000858442110 588954658 /nfs/dbraw/zinc/95/46/58/588954658.db2.gz FIRGUGADTWEMBM-LURJTMIESA-N 0 2 232.736 2.974 20 0 BFADLN CCC1=NN(c2cc(F)ccc2F)C(=O)[C@@H]1C ZINC000899362622 584207837 /nfs/dbraw/zinc/20/78/37/584207837.db2.gz YNQSRCVKUFLSEB-SSDOTTSWSA-N 0 2 238.237 2.714 20 0 BFADLN Cc1cc(C)c(C(=O)[O-])cc1[NH2+]CC1CC1 ZINC000901721545 584484132 /nfs/dbraw/zinc/48/41/32/584484132.db2.gz HEFBLRXJGPRLGW-UHFFFAOYSA-N 0 2 219.284 2.824 20 0 BFADLN CC1(C[NH2+]c2ccc(OCC(=O)[O-])cc2)CCC1 ZINC000901716327 584487918 /nfs/dbraw/zinc/48/79/18/584487918.db2.gz FQRFVDRAGQPIKP-UHFFFAOYSA-N 0 2 249.310 2.752 20 0 BFADLN CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901717440 584488129 /nfs/dbraw/zinc/48/81/29/584488129.db2.gz QTKFIKLSAGXTOK-GWCFXTLKSA-N 0 2 249.310 2.751 20 0 BFADLN Cc1ccc([NH2+]CC[C@H]2CCOC2)cc1C(=O)[O-] ZINC000901718456 584488444 /nfs/dbraw/zinc/48/84/44/584488444.db2.gz RISZVZWFCHIKAG-NSHDSACASA-N 0 2 249.310 2.532 20 0 BFADLN CCOc1ccc([NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000902051407 584517671 /nfs/dbraw/zinc/51/76/71/584517671.db2.gz ILZOUEZXZJDPTK-WQAKAFBOSA-N 0 2 249.310 2.606 20 0 BFADLN Cc1cc(C)c2cc(N[C@@H](C)C(=O)[O-])ccc2[nH+]1 ZINC000904256795 584859110 /nfs/dbraw/zinc/85/91/10/584859110.db2.gz IRSHBEMKKRSCRJ-JTQLQIEISA-N 0 2 244.294 2.737 20 0 BFADLN CCCCN(C(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC000764266154 585463179 /nfs/dbraw/zinc/46/31/79/585463179.db2.gz NDLNFBPQTBLIIX-QMMMGPOBSA-N 0 2 241.228 2.678 20 0 BFADLN CCCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC000764266154 585463180 /nfs/dbraw/zinc/46/31/80/585463180.db2.gz NDLNFBPQTBLIIX-QMMMGPOBSA-N 0 2 241.228 2.678 20 0 BFADLN CC1(CNC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC000764505239 585466977 /nfs/dbraw/zinc/46/69/77/585466977.db2.gz HAWNPJJXYHSXNF-SSDOTTSWSA-N 0 2 241.228 2.583 20 0 BFADLN CC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC000764505239 585466978 /nfs/dbraw/zinc/46/69/78/585466978.db2.gz HAWNPJJXYHSXNF-SSDOTTSWSA-N 0 2 241.228 2.583 20 0 BFADLN CC[C@@](C)([NH2+]Cc1csnn1)c1ccccc1 ZINC000776185488 585692184 /nfs/dbraw/zinc/69/21/84/585692184.db2.gz LWYPMHUTTIDNKC-CYBMUJFWSA-N 0 2 247.367 2.953 20 0 BFADLN CCC[C@@H](C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000788282910 585920024 /nfs/dbraw/zinc/92/00/24/585920024.db2.gz UIXGIIKQNNESOE-RQJHMYQMSA-N 0 2 229.217 2.534 20 0 BFADLN CCC[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000788282910 585920025 /nfs/dbraw/zinc/92/00/25/585920025.db2.gz UIXGIIKQNNESOE-RQJHMYQMSA-N 0 2 229.217 2.534 20 0 BFADLN C[C@@H]1C[C@H](C)N1C(=O)c1cccc(Cl)c1O ZINC000792533215 586002049 /nfs/dbraw/zinc/00/20/49/586002049.db2.gz VQLHKYHWSJTDAI-OCAPTIKFSA-N 0 2 239.702 2.669 20 0 BFADLN CC[C@@H](C)CONC(=O)CSC(C)(C)C ZINC000794848597 586050834 /nfs/dbraw/zinc/05/08/34/586050834.db2.gz CIXYIEGZNHDGOL-SECBINFHSA-N 0 2 233.377 2.612 20 0 BFADLN O=C(OCCCCF)c1cc(F)c(O)c(F)c1 ZINC000803373710 586348737 /nfs/dbraw/zinc/34/87/37/586348737.db2.gz RFPLJPQBGLOAHQ-UHFFFAOYSA-N 0 2 248.200 2.577 20 0 BFADLN C[C@@H](N(C)C(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC000810062574 586533133 /nfs/dbraw/zinc/53/31/33/586533133.db2.gz GMUFIWCHXVLGTQ-RQJHMYQMSA-N 0 2 243.244 2.780 20 0 BFADLN C[C@@H](N(C)C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810062574 586533135 /nfs/dbraw/zinc/53/31/35/586533135.db2.gz GMUFIWCHXVLGTQ-RQJHMYQMSA-N 0 2 243.244 2.780 20 0 BFADLN CC(C)(C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC000810428002 586539148 /nfs/dbraw/zinc/53/91/48/586539148.db2.gz QABPXSRNDSYXCW-SSDOTTSWSA-N 0 2 243.244 2.829 20 0 BFADLN CC(C)(C)CCCNC(=O)C(F)C(F)(F)F ZINC000810428002 586539149 /nfs/dbraw/zinc/53/91/49/586539149.db2.gz QABPXSRNDSYXCW-SSDOTTSWSA-N 0 2 243.244 2.829 20 0 BFADLN C[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)C(C)(C)C1 ZINC000810467666 586539602 /nfs/dbraw/zinc/53/96/02/586539602.db2.gz XLGSLAHNSCBBKF-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H]1CN(C(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC000810467666 586539603 /nfs/dbraw/zinc/53/96/03/586539603.db2.gz XLGSLAHNSCBBKF-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C1 ZINC000810467664 586539666 /nfs/dbraw/zinc/53/96/66/586539666.db2.gz XLGSLAHNSCBBKF-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC000810467664 586539667 /nfs/dbraw/zinc/53/96/67/586539667.db2.gz XLGSLAHNSCBBKF-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN CC1(C)CCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC000810485786 586539803 /nfs/dbraw/zinc/53/98/03/586539803.db2.gz DELQQASFNHZKQU-RQJHMYQMSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC000810485786 586539804 /nfs/dbraw/zinc/53/98/04/586539804.db2.gz DELQQASFNHZKQU-RQJHMYQMSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CCC[C@@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC000810485784 586539971 /nfs/dbraw/zinc/53/99/71/586539971.db2.gz DELQQASFNHZKQU-NKWVEPMBSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CCC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC000810485784 586539972 /nfs/dbraw/zinc/53/99/72/586539972.db2.gz DELQQASFNHZKQU-NKWVEPMBSA-N 0 2 241.228 2.582 20 0 BFADLN O=C(NCCCCF)c1cccc(Cl)c1O ZINC000812613725 586580564 /nfs/dbraw/zinc/58/05/64/586580564.db2.gz VTTODBHSTCVXEJ-UHFFFAOYSA-N 0 2 245.681 2.525 20 0 BFADLN CC(C)C(NC(=O)[C@H](F)C(F)(F)F)C(C)C ZINC000815840239 586694457 /nfs/dbraw/zinc/69/44/57/586694457.db2.gz PCCAQMIQFPPPAL-QMMMGPOBSA-N 0 2 243.244 2.684 20 0 BFADLN CC(C)C(NC(=O)C(F)C(F)(F)F)C(C)C ZINC000815840239 586694459 /nfs/dbraw/zinc/69/44/59/586694459.db2.gz PCCAQMIQFPPPAL-QMMMGPOBSA-N 0 2 243.244 2.684 20 0 BFADLN CCS[C@@H](C(=O)NOCCC1CC1)C(C)C ZINC000817388020 586799976 /nfs/dbraw/zinc/79/99/76/586799976.db2.gz NVINMWUPQRAADM-LLVKDONJSA-N 0 2 245.388 2.612 20 0 BFADLN C[C@]1(C(=O)NOc2ccccc2F)C=CCC1 ZINC000828984881 587477822 /nfs/dbraw/zinc/47/78/22/587477822.db2.gz JEDOMVRHYHHYGI-ZDUSSCGKSA-N 0 2 235.258 2.592 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1c(C)cccc1C ZINC000832964467 587695798 /nfs/dbraw/zinc/69/57/98/587695798.db2.gz KHLXIYJQDRXPMF-UHFFFAOYSA-N 0 2 244.294 2.555 20 0 BFADLN Cc1ccc([NH2+]CC2CC2)cc1C(=O)[O-] ZINC000832952255 587695949 /nfs/dbraw/zinc/69/59/49/587695949.db2.gz VRTKZMDROMZOFM-UHFFFAOYSA-N 0 2 205.257 2.515 20 0 BFADLN C[C@H](CC(C)(C)C)NC(=O)[C@H](F)C(F)(F)F ZINC000837230811 587860788 /nfs/dbraw/zinc/86/07/88/587860788.db2.gz PKGMVZWCAWXDMH-RQJHMYQMSA-N 0 2 243.244 2.828 20 0 BFADLN C[C@H](CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC000837230811 587860790 /nfs/dbraw/zinc/86/07/90/587860790.db2.gz PKGMVZWCAWXDMH-RQJHMYQMSA-N 0 2 243.244 2.828 20 0 BFADLN Cc1ccc(-c2nnc(NCC(F)(F)F)o2)o1 ZINC000849162188 588458271 /nfs/dbraw/zinc/45/82/71/588458271.db2.gz XWSCGYGYFPDJET-UHFFFAOYSA-N 0 2 247.176 2.612 20 0 BFADLN CCCCCC[N@H+](C)Cc1cn[nH]c1C ZINC000879185428 590709876 /nfs/dbraw/zinc/70/98/76/590709876.db2.gz NNUBTYVRHYVSPL-UHFFFAOYSA-N 0 2 209.337 2.730 20 0 BFADLN C[C@H]1CCC[C@@H](COc2ccc[nH+]c2C(=O)[O-])C1 ZINC000302429002 592547788 /nfs/dbraw/zinc/54/77/88/592547788.db2.gz VBFQTWRDGOUWOC-WDEREUQCSA-N 0 2 249.310 2.985 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1cc(C)ccc1C ZINC000071558913 601401545 /nfs/dbraw/zinc/40/15/45/601401545.db2.gz APCGKWIMKHGERC-UHFFFAOYSA-N 0 2 244.294 2.555 20 0 BFADLN C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000725887472 633872189 /nfs/dbraw/zinc/87/21/89/633872189.db2.gz OWJSBHQEDQAGOB-XPUUQOCRSA-N 0 2 247.216 2.582 20 0 BFADLN Cc1csc([C@H](C#N)C(=O)[C@H]2C[C@H]2C(C)C)n1 ZINC000248535194 635114887 /nfs/dbraw/zinc/11/48/87/635114887.db2.gz KABNREAUKXBQEE-GARJFASQSA-N 0 2 248.351 2.920 20 0 BFADLN O=C([O-])[C@H](CNc1cccc[nH+]1)C1CCCCC1 ZINC000910479619 639466454 /nfs/dbraw/zinc/46/64/54/639466454.db2.gz WXRZEFYKEZZVJV-GFCCVEGCSA-N 0 2 248.326 2.775 20 0 BFADLN CONC(=O)C1(c2cccc(C)c2)CCCCC1 ZINC000057307071 640600180 /nfs/dbraw/zinc/60/01/80/640600180.db2.gz GMEQWPHRMOGFIN-UHFFFAOYSA-N 0 2 247.338 2.875 20 0 BFADLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2CC2(C)C)n1 ZINC000151997425 641505361 /nfs/dbraw/zinc/50/53/61/641505361.db2.gz KBBIGCFVACVMDV-IUCAKERBSA-N 0 2 234.324 2.674 20 0 BFADLN Cc1cc(F)ccc1[C@H](C)NC(=O)C(F)(F)F ZINC000921569148 643613170 /nfs/dbraw/zinc/61/31/70/643613170.db2.gz YVQKUDYIJDTVJJ-ZETCQYMHSA-N 0 2 249.207 2.874 20 0 BFADLN CC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001585516768 981929127 /nfs/dbraw/zinc/92/91/27/981929127.db2.gz NFXHWGSQXRZGCS-XLPZGREQSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001585516768 981929149 /nfs/dbraw/zinc/92/91/49/981929149.db2.gz NFXHWGSQXRZGCS-XLPZGREQSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cscc1Cl ZINC001589443262 982789688 /nfs/dbraw/zinc/78/96/88/982789688.db2.gz GYFQFJVXEJSVJT-SECBINFHSA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cscc1Cl ZINC001589443262 982789698 /nfs/dbraw/zinc/78/96/98/982789698.db2.gz GYFQFJVXEJSVJT-SECBINFHSA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@H](C)C[C@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225881847 974714334 /nfs/dbraw/zinc/71/43/34/974714334.db2.gz NXQCQUKVQHUPFZ-IUCAKERBSA-N 0 2 242.294 2.915 20 0 BFADLN CC[C@@H](Oc1nc(=O)[nH]cc1F)C(C)(C)C ZINC001225883280 974715227 /nfs/dbraw/zinc/71/52/27/974715227.db2.gz ZQWCEWCXILQBGD-MRVPVSSYSA-N 0 2 228.267 2.525 20 0 BFADLN CCC[C@@H](C)[C@@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225884643 974717433 /nfs/dbraw/zinc/71/74/33/974717433.db2.gz HVIDOZNGACGZJO-PSASIEDQSA-N 0 2 242.294 2.915 20 0 BFADLN C[C@H]1CCN(Cc2c(F)cc(O)cc2F)C1 ZINC001144545140 972857234 /nfs/dbraw/zinc/85/72/34/972857234.db2.gz TUMJWFACZYEUSO-QMMMGPOBSA-N 0 2 227.254 2.512 20 0 BFADLN C/C=C(\C)C(=O)Nc1ccccc1S ZINC001143943771 972416844 /nfs/dbraw/zinc/41/68/44/972416844.db2.gz KXESSDOZVSFJBP-FPYGCLRLSA-N 0 2 207.298 2.880 20 0 BFADLN CC(C)c1nnc(Nc2cc(F)nc(F)c2)o1 ZINC001213077269 961687038 /nfs/dbraw/zinc/68/70/38/961687038.db2.gz OWMNMUCNUGPABP-UHFFFAOYSA-N 0 2 240.213 2.610 20 0 BFADLN O=c1cc(CNc2cc3ccccc3c[nH+]2)o[n-]1 ZINC001158563308 963887151 /nfs/dbraw/zinc/88/71/51/963887151.db2.gz BVHLNONRAGIRSR-UHFFFAOYSA-N 0 2 241.250 2.541 20 0 BFADLN CC1(C)OC[C@H](Cc2cccc(S)c2)O1 ZINC001250186522 967494798 /nfs/dbraw/zinc/49/47/98/967494798.db2.gz RDQIYCMTQKXXPO-JTQLQIEISA-N 0 2 224.325 2.669 20 0 BFADLN Oc1c(F)cc(-c2ccncn2)cc1Cl ZINC001250491910 967957049 /nfs/dbraw/zinc/95/70/49/967957049.db2.gz RFBQUWUWUVDXMJ-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN O=c1[nH]cccc1Nc1ccc(S)cc1 ZINC001206465175 968326639 /nfs/dbraw/zinc/32/66/39/968326639.db2.gz XFQFSEKFKJRFGR-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN CCc1cc(C)nc(-c2cc(F)ccc2O)n1 ZINC001240696515 968644024 /nfs/dbraw/zinc/64/40/24/968644024.db2.gz QMHRFWSLEWCJJX-UHFFFAOYSA-N 0 2 232.258 2.859 20 0 BFADLN Oc1c(F)cc(-c2nnc(C3CC3)o2)cc1F ZINC001254125783 969513974 /nfs/dbraw/zinc/51/39/74/969513974.db2.gz BRZPKEHCTVMSPC-UHFFFAOYSA-N 0 2 238.193 2.598 20 0 BFADLN Oc1c(Cl)cccc1-c1cc2nc[nH]c2cn1 ZINC001242362435 969905662 /nfs/dbraw/zinc/90/56/62/969905662.db2.gz GMWLMXHAJJTPHD-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1c(Cl)cccc1-c1cc2[nH]cnc2cn1 ZINC001242362435 969905671 /nfs/dbraw/zinc/90/56/71/969905671.db2.gz GMWLMXHAJJTPHD-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Cc1c(Nc2cccc([S-])c2)[nH+]cn1C ZINC001210946093 970079538 /nfs/dbraw/zinc/07/95/38/970079538.db2.gz AEUQAXCPLHDISN-UHFFFAOYSA-N 0 2 219.313 2.761 20 0 BFADLN Nc1c[nH+]cc(Nc2cccc([S-])c2)c1 ZINC001210945613 970082196 /nfs/dbraw/zinc/08/21/96/970082196.db2.gz WUDJRSRIFGOFMV-UHFFFAOYSA-N 0 2 217.297 2.696 20 0 BFADLN Nc1ccc2cn(-c3cccc(S)c3)nc2c1 ZINC001210947056 970083754 /nfs/dbraw/zinc/08/37/54/970083754.db2.gz CJOIBMYTAUGXQK-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN Cc1nonc1Nc1ccc(Cl)c(O)c1F ZINC001214794021 970537234 /nfs/dbraw/zinc/53/72/34/970537234.db2.gz VDKACZGQRNKREZ-UHFFFAOYSA-N 0 2 243.625 2.620 20 0 BFADLN C[C@@H]1CC[N@H+](Cc2cc(F)c([O-])cc2F)C1 ZINC001144647838 972905266 /nfs/dbraw/zinc/90/52/66/972905266.db2.gz MDWFOCZVPIEBOE-MRVPVSSYSA-N 0 2 227.254 2.512 20 0 BFADLN C[C@@H]1CC[N@@H+](Cc2cc(F)c([O-])cc2F)C1 ZINC001144647838 972905285 /nfs/dbraw/zinc/90/52/85/972905285.db2.gz MDWFOCZVPIEBOE-MRVPVSSYSA-N 0 2 227.254 2.512 20 0 BFADLN C[C@@H]1CC[C@@H](C)[C@@H](Oc2nc(=O)[nH]cc2F)C1 ZINC001225881201 974711747 /nfs/dbraw/zinc/71/17/47/974711747.db2.gz FWCSRKNRGHCEEM-MRTMQBJTSA-N 0 2 240.278 2.525 20 0 BFADLN CCC[C@@H](Oc1nc(=O)[nH]cc1F)[C@@H](C)CC ZINC001225881209 974712490 /nfs/dbraw/zinc/71/24/90/974712490.db2.gz GADXLCXQXFRCNL-WCBMZHEXSA-N 0 2 242.294 2.915 20 0 BFADLN CC[C@@H]1CCCC[C@H]1Oc1nc(=O)[nH]cc1F ZINC001225881073 974712958 /nfs/dbraw/zinc/71/29/58/974712958.db2.gz DQJKCKMXGNKWML-PSASIEDQSA-N 0 2 240.278 2.669 20 0 BFADLN CCOC[C@@H](C)Oc1cccc(S)c1 ZINC001226016947 974764102 /nfs/dbraw/zinc/76/41/02/974764102.db2.gz WQZFLSPTOMFUAK-SECBINFHSA-N 0 2 212.314 2.779 20 0 BFADLN CCC[C@@H](CC)Oc1nc(C)[nH]c(=O)c1F ZINC001226418869 974891572 /nfs/dbraw/zinc/89/15/72/974891572.db2.gz DPUNVBXLEWPJIS-MRVPVSSYSA-N 0 2 228.267 2.587 20 0 BFADLN CC[C@H](Oc1nc(C)[nH]c(=O)c1F)C(C)(C)C ZINC001226424460 974894095 /nfs/dbraw/zinc/89/40/95/974894095.db2.gz PTHRVRSLWDKTTG-QMMMGPOBSA-N 0 2 242.294 2.833 20 0 BFADLN Cc1nc(O[C@@H](C)C2CCCC2)c(F)c(=O)[nH]1 ZINC001226424619 974894128 /nfs/dbraw/zinc/89/41/28/974894128.db2.gz RBSKXOLBVOTDBS-ZETCQYMHSA-N 0 2 240.278 2.587 20 0 BFADLN Cc1nocc1Nc1cc(-c2ccncc2)no1 ZINC001212719349 975173052 /nfs/dbraw/zinc/17/30/52/975173052.db2.gz INSNIHDKDCLUCW-UHFFFAOYSA-N 0 2 242.238 2.777 20 0 BFADLN Cc1nocc1Nc1cc(C(F)(F)F)no1 ZINC001212718703 975231842 /nfs/dbraw/zinc/23/18/42/975231842.db2.gz WISMDEOSOKWLFY-UHFFFAOYSA-N 0 2 233.149 2.733 20 0 BFADLN CC(C)(C)c1nc(Nc2ccoc2)no1 ZINC001173931619 976042494 /nfs/dbraw/zinc/04/24/94/976042494.db2.gz MCEMLNUZFNOGBM-UHFFFAOYSA-N 0 2 207.233 2.704 20 0 BFADLN NC(=O)c1ccc(Nc2ccc(S)cc2)cc1 ZINC001174049724 976204141 /nfs/dbraw/zinc/20/41/41/976204141.db2.gz KVGRQWOFRJAFIA-UHFFFAOYSA-N 0 2 244.319 2.818 20 0 BFADLN CC(=O)[C@@H](C)Oc1ccc(S)cc1C ZINC001229634929 976921307 /nfs/dbraw/zinc/92/13/07/976921307.db2.gz OYQBKNNQMUTVQZ-SECBINFHSA-N 0 2 210.298 2.640 20 0 BFADLN Cc1nnc(Nc2ccc(F)c(F)c2F)o1 ZINC001174966583 977190845 /nfs/dbraw/zinc/19/08/45/977190845.db2.gz WUWVPHCHJWJLFC-UHFFFAOYSA-N 0 2 229.161 2.539 20 0 BFADLN Fc1cc(Nc2nnco2)cc(C(F)(F)F)c1 ZINC001175060806 977220929 /nfs/dbraw/zinc/22/09/29/977220929.db2.gz PTNUJBBELWXHPR-UHFFFAOYSA-N 0 2 247.151 2.971 20 0 BFADLN Cc1ccc[nH+]c1Nc1cccc(C(=O)[O-])c1 ZINC001175327044 977376868 /nfs/dbraw/zinc/37/68/68/977376868.db2.gz CLSJMVOTEURRCS-UHFFFAOYSA-N 0 2 228.251 2.832 20 0 BFADLN CC(C)(C)CC=Nc1ncc(F)cc1O ZINC001175572840 977563403 /nfs/dbraw/zinc/56/34/03/977563403.db2.gz QWWSOPQDJVVTPQ-SNAWJCMRSA-N 0 2 210.252 2.898 20 0 BFADLN Cc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]c1C(=O)[O-] ZINC001600460173 978695592 /nfs/dbraw/zinc/69/55/92/978695592.db2.gz PGZFWKUWVHZAOF-GMTAPVOTSA-N 0 2 246.310 2.689 20 0 BFADLN Cc1ccc(N[C@H]2CCCC23CC3)[nH+]c1C(=O)[O-] ZINC001600459153 978696611 /nfs/dbraw/zinc/69/66/11/978696611.db2.gz FQYMGGXRAHBPFR-JTQLQIEISA-N 0 2 246.310 2.833 20 0 BFADLN Cc1ccc(N[C@H]2CC[C@@H](C)C2)[nH+]c1C(=O)[O-] ZINC001600459812 978696913 /nfs/dbraw/zinc/69/69/13/978696913.db2.gz LKTYYRNCVVBLEK-SCZZXKLOSA-N 0 2 234.299 2.689 20 0 BFADLN Cc1ccc(N[C@@H]2CCC[C@@H]2C)[nH+]c1C(=O)[O-] ZINC001600459442 978696941 /nfs/dbraw/zinc/69/69/41/978696941.db2.gz HMEFQXVMBUQOIL-WCBMZHEXSA-N 0 2 234.299 2.689 20 0 BFADLN CC[C@@H](C)Oc1cc(O)cc2occc(=O)c12 ZINC001233826569 978706583 /nfs/dbraw/zinc/70/65/83/978706583.db2.gz DRLNQOWVKUZAOC-MRVPVSSYSA-N 0 2 234.251 2.676 20 0 BFADLN O=c1ccoc2cc(O)cc(OC3CC=CC3)c12 ZINC001233827240 978707081 /nfs/dbraw/zinc/70/70/81/978707081.db2.gz OEWBHGGHTOCSGC-UHFFFAOYSA-N 0 2 244.246 2.596 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@@H]1CCCC[C@H]1C ZINC001600685148 978720461 /nfs/dbraw/zinc/72/04/61/978720461.db2.gz AZUJOVPSVHSMIB-KOLCDFICSA-N 0 2 236.315 2.716 20 0 BFADLN Nc1ccc(-c2cc(F)ccc2[S-])c[nH+]1 ZINC001236317315 979529025 /nfs/dbraw/zinc/52/90/25/979529025.db2.gz SVIAPECCFYYQFM-UHFFFAOYSA-N 0 2 220.272 2.759 20 0 BFADLN Nc1ccc(-c2ccc([S-])c(F)c2)c[nH+]1 ZINC001236316570 979529513 /nfs/dbraw/zinc/52/95/13/979529513.db2.gz NGZPCYDCNCIQEX-UHFFFAOYSA-N 0 2 220.272 2.759 20 0 BFADLN COc1cnc(-c2c(F)ccc(C)c2O)nc1C ZINC001236394536 979580080 /nfs/dbraw/zinc/58/00/80/979580080.db2.gz WWCWZPARPFLAQR-UHFFFAOYSA-N 0 2 248.257 2.614 20 0 BFADLN CC[C@@H](Nc1ccc(C)c(C(=O)[O-])[nH+]1)C1CC1 ZINC001605106878 979816165 /nfs/dbraw/zinc/81/61/65/979816165.db2.gz ZOOVYTDXQGMQOE-SNVBAGLBSA-N 0 2 234.299 2.689 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1CCC1CCCCC1 ZINC001607946327 980143740 /nfs/dbraw/zinc/14/37/40/980143740.db2.gz GQSBDSPOEZJOGL-UHFFFAOYSA-N 0 2 236.315 2.860 20 0 BFADLN C=Cc1ccccc1NS(=O)(=O)c1ccoc1 ZINC001188615193 980667750 /nfs/dbraw/zinc/66/77/50/980667750.db2.gz JTTQVVYDWWFYOR-UHFFFAOYSA-N 0 2 249.291 2.723 20 0 BFADLN [NH3+]Cc1cncc(-c2cc([S-])cc(S)c2)c1 ZINC001239803937 980941767 /nfs/dbraw/zinc/94/17/67/980941767.db2.gz KWLMBPPGMVLVRM-UHFFFAOYSA-N 0 2 248.376 2.785 20 0 BFADLN CN(C(=O)c1ccc(F)c(F)c1O)C(C)(C)C ZINC001192796846 981188692 /nfs/dbraw/zinc/18/86/92/981188692.db2.gz UMIMPCNLCOULAX-UHFFFAOYSA-N 0 2 243.253 2.541 20 0 BFADLN Cc1nn(C)cc1-c1cccc(S)c1 ZINC001240300591 981259375 /nfs/dbraw/zinc/25/93/75/981259375.db2.gz KMQMEQBJKJEACJ-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN COC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001193903371 981506708 /nfs/dbraw/zinc/50/67/08/981506708.db2.gz YMGLUVCOCOTOLK-UHFFFAOYSA-N 0 2 236.054 2.877 20 0 BFADLN Sc1ccccc1-c1cnn([C@@H]2CCOC2)c1 ZINC001240629710 981521537 /nfs/dbraw/zinc/52/15/37/981521537.db2.gz GMKTVYJNKPBPTO-LLVKDONJSA-N 0 2 246.335 2.800 20 0 BFADLN CCn1nccc1-c1ccccc1S ZINC001240699630 981623568 /nfs/dbraw/zinc/62/35/68/981623568.db2.gz JWKUGEHLSJROFC-UHFFFAOYSA-N 0 2 204.298 2.859 20 0 BFADLN Oc1cc(F)c(-c2cncc3nc[nH]c32)c(F)c1 ZINC001241120596 982244076 /nfs/dbraw/zinc/24/40/76/982244076.db2.gz BWGOKLQPQDIYJG-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN O=C([O-])c1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001241359787 982516267 /nfs/dbraw/zinc/51/62/67/982516267.db2.gz PZTOYAZDJGTUFX-UHFFFAOYSA-N 0 2 238.246 2.700 20 0 BFADLN C[C@H](CCC1CC1)Nc1cc(CC(=O)[O-])cc[nH+]1 ZINC001592478114 983172313 /nfs/dbraw/zinc/17/23/13/983172313.db2.gz RLEILAONPMNOHC-SNVBAGLBSA-N 0 2 248.326 2.699 20 0 BFADLN Cc1nc(C)c(F)c(-c2ccc(F)cc2O)n1 ZINC001242216690 983410621 /nfs/dbraw/zinc/41/06/21/983410621.db2.gz CQZRRVVHOHQPNL-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN Nc1cc(-c2cccc(Cl)c2O)ncc1F ZINC001242364408 983578385 /nfs/dbraw/zinc/57/83/85/983578385.db2.gz AXUBJBUMVDZAQC-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN COc1ccnc(-c2cccc(F)c2O)c1F ZINC001242350072 983617101 /nfs/dbraw/zinc/61/71/01/983617101.db2.gz GGGGACLUVVMNIN-UHFFFAOYSA-N 0 2 237.205 2.741 20 0 BFADLN Oc1c(F)cccc1-c1ncnc2scnc21 ZINC001242349801 983619315 /nfs/dbraw/zinc/61/93/15/983619315.db2.gz UCERBHQMCPSXLF-UHFFFAOYSA-N 0 2 247.254 2.598 20 0 BFADLN Nc1ccc(-c2cccc(Cl)c2O)nc1 ZINC001242362517 983652993 /nfs/dbraw/zinc/65/29/93/983652993.db2.gz ITAPXSNCNCASSH-UHFFFAOYSA-N 0 2 220.659 2.690 20 0 BFADLN Oc1c(Cl)cccc1-c1cn2ccnc2cn1 ZINC001242365893 983656924 /nfs/dbraw/zinc/65/69/24/983656924.db2.gz AUHADZXMAFOJNJ-UHFFFAOYSA-N 0 2 245.669 2.755 20 0 BFADLN Oc1c(Cl)cccc1-c1ncnn2cccc12 ZINC001242366769 983657554 /nfs/dbraw/zinc/65/75/54/983657554.db2.gz DTJBBOFTDKBPBE-UHFFFAOYSA-N 0 2 245.669 2.755 20 0 BFADLN Cc1ncc(-c2ccccc2S)cc1N ZINC001242409425 983715690 /nfs/dbraw/zinc/71/56/90/983715690.db2.gz APXFTFXHQHHPAU-UHFFFAOYSA-N 0 2 216.309 2.928 20 0 BFADLN Sc1cccc(-c2c[nH]cc3ncnc2-3)c1 ZINC001242866897 984211879 /nfs/dbraw/zinc/21/18/79/984211879.db2.gz GVYAWUGZVOCCGZ-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN Cn1c[nH+]cc1-c1ccc([S-])c(F)c1 ZINC001243069597 984490937 /nfs/dbraw/zinc/49/09/37/984490937.db2.gz IIXFBRZXNFIQTK-UHFFFAOYSA-N 0 2 208.261 2.515 20 0 BFADLN Cc1ccc(-c2c[nH+]c(N)c(C)c2)cc1C(=O)[O-] ZINC001243197356 984680391 /nfs/dbraw/zinc/68/03/91/984680391.db2.gz KWVGADAXWHJDHM-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Oc1c(F)cc(F)cc1-c1ncccc1F ZINC001243500513 985050850 /nfs/dbraw/zinc/05/08/50/985050850.db2.gz ROYYLXWPXVWVEM-UHFFFAOYSA-N 0 2 225.169 2.872 20 0 BFADLN Cc1ncc(-c2cc(F)cc(F)c2O)nc1C ZINC001243499969 985051327 /nfs/dbraw/zinc/05/13/27/985051327.db2.gz JLKGBZVDJSBIDC-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN Oc1c(F)cc(F)cc1-c1nncc2ccoc21 ZINC001243501168 985053529 /nfs/dbraw/zinc/05/35/29/985053529.db2.gz FEMOZMVAEXWGDU-UHFFFAOYSA-N 0 2 248.188 2.874 20 0 BFADLN CC(C)(NC(=O)C(F)(F)F)c1ccccc1F ZINC000041541012 985208760 /nfs/dbraw/zinc/20/87/60/985208760.db2.gz GHGRIFDHDBWPLU-UHFFFAOYSA-N 0 2 249.207 2.739 20 0 BFADLN Cc1cc(F)c2[nH]ccc2c1Nc1nnco1 ZINC001212971725 986090581 /nfs/dbraw/zinc/09/05/81/986090581.db2.gz HSWZJGUGOUPNTH-UHFFFAOYSA-N 0 2 232.218 2.742 20 0 BFADLN Cn1cnc(-c2cc(F)c(O)c(Cl)c2)c1 ZINC001244501417 986100030 /nfs/dbraw/zinc/10/00/30/986100030.db2.gz YLDZUULYJBQMBJ-UHFFFAOYSA-N 0 2 226.638 2.585 20 0 BFADLN Oc1c(F)cc(-c2ccnc(F)n2)cc1Cl ZINC001244501802 986207993 /nfs/dbraw/zinc/20/79/93/986207993.db2.gz WPHGMFRIPDWJDQ-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN Cc1cncnc1-c1cc(F)c(O)c(Cl)c1 ZINC001244501147 986210747 /nfs/dbraw/zinc/21/07/47/986210747.db2.gz WRDNIVBEIGWGHA-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Nc1ccc(-c2cc(F)c(O)c(Cl)c2)nc1 ZINC001244499864 986212029 /nfs/dbraw/zinc/21/20/29/986212029.db2.gz GVKOXTVIFVYKSC-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN Cn1ccc(-c2ccc(Cl)c(O)c2F)n1 ZINC001244630516 986293278 /nfs/dbraw/zinc/29/32/78/986293278.db2.gz RUBALGIIXDJURK-UHFFFAOYSA-N 0 2 226.638 2.585 20 0 BFADLN Cc1nccnc1-c1ccc(Cl)c(O)c1F ZINC001244630328 986293342 /nfs/dbraw/zinc/29/33/42/986293342.db2.gz IXHWFNRUCQCTKH-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Oc1c(Cl)ccc(-c2ncncc2F)c1F ZINC001244629562 986294154 /nfs/dbraw/zinc/29/41/54/986294154.db2.gz BZGYCTVNKPRMSX-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN NC(=O)Cc1ccccc1-c1ccc(S)cc1 ZINC001245446753 986853164 /nfs/dbraw/zinc/85/31/64/986853164.db2.gz FAWKSGCLYAUZHM-UHFFFAOYSA-N 0 2 243.331 2.670 20 0 BFADLN Cc1cc(-c2ccc([S-])cc2)c[nH+]c1N ZINC001245536258 986915778 /nfs/dbraw/zinc/91/57/78/986915778.db2.gz HFMNEDKJQHVEKP-UHFFFAOYSA-N 0 2 216.309 2.928 20 0 BFADLN CC(C)n1[nH]c(COCc2ccccc2)cc1=O ZINC001245923172 987163996 /nfs/dbraw/zinc/16/39/96/987163996.db2.gz MLOFESQMMUXOIM-UHFFFAOYSA-N 0 2 246.310 2.886 20 0 BFADLN CC1=NN([C@@H]2CCc3ccccc3C2)C(=O)C1 ZINC001245928142 987186695 /nfs/dbraw/zinc/18/66/95/987186695.db2.gz OHUFSLCNDDTPBT-CYBMUJFWSA-N 0 2 228.295 2.627 20 0 BFADLN CC(C)N1N=C(c2ccc(Cl)nc2)CC1=O ZINC001245945208 987216184 /nfs/dbraw/zinc/21/61/84/987216184.db2.gz BYUXEVXFZPSLOL-UHFFFAOYSA-N 0 2 237.690 2.885 20 0 BFADLN CC(C)n1[nH]c(-c2ccc(O)cc2)cc1=O ZINC001245941780 987218146 /nfs/dbraw/zinc/21/81/46/987218146.db2.gz OSWNOHZJKGKBQP-UHFFFAOYSA-N 0 2 218.256 2.542 20 0 BFADLN CC[C@@H](C)N1N=C(c2ccc(C)nc2)CC1=O ZINC001245950097 987227995 /nfs/dbraw/zinc/22/79/95/987227995.db2.gz VXFREKPWOJTMAS-SNVBAGLBSA-N 0 2 231.299 2.930 20 0 BFADLN C[C@@H]1CC[C@H]1NC(=O)c1cccc(Cl)c1O ZINC001117459698 987837723 /nfs/dbraw/zinc/83/77/23/987837723.db2.gz FICSVVZXVXWZKL-GMSGAONNSA-N 0 2 239.702 2.574 20 0 BFADLN CCc1oc(CNc2cccc[nH+]2)cc1C(=O)[O-] ZINC001597805216 989411814 /nfs/dbraw/zinc/41/18/14/989411814.db2.gz YBQKHQFCXJVMEW-UHFFFAOYSA-N 0 2 246.266 2.547 20 0 BFADLN CC(C)C[C@@H]1C[C@H]1Nc1nc(C(C)C)ns1 ZINC000385148396 993651432 /nfs/dbraw/zinc/65/14/32/993651432.db2.gz CPVUCBPJUOJBFI-NXEZZACHSA-N 0 2 239.388 2.930 20 0 BFADLN O=C(Nc1ccccc1)c1cc(F)cc(F)c1O ZINC001290153455 994530076 /nfs/dbraw/zinc/53/00/76/994530076.db2.gz VZLNSZIXRXKNAQ-UHFFFAOYSA-N 0 2 249.216 2.923 20 0 BFADLN CCCC1=NN([C@H](C)C(C)(C)C)C(=O)C1 ZINC000400339678 398173311 /nfs/dbraw/zinc/17/33/11/398173311.db2.gz MTBQTMYOYIXYOK-SECBINFHSA-N 0 2 210.321 2.809 20 0 BFADLN O=c1c2c([nH]n1CC1CCCC1)CCCC2 ZINC000629942773 361783226 /nfs/dbraw/zinc/78/32/26/361783226.db2.gz YCIWPLNKKLOEDD-NSHDSACASA-N 0 2 220.316 2.565 20 0 BFADLN C[C@H]1CCC2=NN(c3ccccc3)C(=O)[C@@H]2C1 ZINC000634582214 342798005 /nfs/dbraw/zinc/79/80/05/342798005.db2.gz NGZMZYXNBWSDHJ-CMPLNLGQSA-N 0 2 228.295 2.825 20 0 BFADLN Cc1cc(-c2cc(=O)n(CC(C)C)[nH]2)ccc1F ZINC000634584007 342826013 /nfs/dbraw/zinc/82/60/13/342826013.db2.gz OHWCNNZLRLOJLK-UHFFFAOYSA-N 0 2 248.301 2.727 20 0 BFADLN C(N=c1[nH]nc(C2CC2)s1)[C@H]1CCCC12CC2 ZINC000624758539 342826060 /nfs/dbraw/zinc/82/60/60/342826060.db2.gz ZUCCPOAKGFZKJB-SNVBAGLBSA-N 0 2 249.383 2.830 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@@H](C)C2CC2)s1 ZINC000389863644 539017749 /nfs/dbraw/zinc/01/77/49/539017749.db2.gz FRTPBJBOYBIXHC-MRVPVSSYSA-N 0 2 225.361 2.541 20 0 BFADLN C[C@H]1CCC[C@@H](Nc2[nH+]cccc2C(=O)[O-])C1 ZINC000037251630 398312758 /nfs/dbraw/zinc/31/27/58/398312758.db2.gz SNORPGAFKRUYSI-VHSXEESVSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037257036 398313864 /nfs/dbraw/zinc/31/38/64/398313864.db2.gz HLZJQEVFWLKMEA-GXSJLCMTSA-N 0 2 234.299 2.770 20 0 BFADLN CCc1ccccc1N1N=C(C)[C@H](C)C1=O ZINC000634588653 342934723 /nfs/dbraw/zinc/93/47/23/342934723.db2.gz AHWGCRPLQCWQAS-VIFPVBQESA-N 0 2 216.284 2.608 20 0 BFADLN CC[C@@H](C)C1=NN(c2cc(C)ccn2)C(=O)C1 ZINC000634600511 342993280 /nfs/dbraw/zinc/99/32/80/342993280.db2.gz JWQZJDPHCGDICE-SNVBAGLBSA-N 0 2 231.299 2.529 20 0 BFADLN CC[C@@H](C)c1cc(=O)n(-c2cc(C)ccn2)[nH]1 ZINC000634600511 342993282 /nfs/dbraw/zinc/99/32/82/342993282.db2.gz JWQZJDPHCGDICE-SNVBAGLBSA-N 0 2 231.299 2.529 20 0 BFADLN C[C@@H](c1ccccc1)n1[nH]c2c(c1=O)CCC2 ZINC000634599758 342989189 /nfs/dbraw/zinc/98/91/89/342989189.db2.gz PMUYPQCBNPLGDW-CMPLNLGQSA-N 0 2 228.295 2.746 20 0 BFADLN CC[C@H](C)n1[nH]c(-c2ccc(F)c(C)c2)cc1=O ZINC000634623789 343024203 /nfs/dbraw/zinc/02/42/03/343024203.db2.gz OWQXLZLALASSOI-JTQLQIEISA-N 0 2 248.301 2.869 20 0 BFADLN CC1=NN([C@@H]2CCCCC2(C)C)C(=O)C1 ZINC000634625260 343028685 /nfs/dbraw/zinc/02/86/85/343028685.db2.gz BXNRKBYTDCYMCD-SNVBAGLBSA-N 0 2 208.305 2.563 20 0 BFADLN CC1(C)CCCC[C@@H]1n1[nH]c2c(c1=O)CCC2 ZINC000634625170 343028727 /nfs/dbraw/zinc/02/87/27/343028727.db2.gz ACSCKXGIPHWICP-JQWIXIFHSA-N 0 2 234.343 2.954 20 0 BFADLN CCCCC1=NN([C@H](C)C(F)(F)F)C(=O)C1 ZINC000634631345 343041898 /nfs/dbraw/zinc/04/18/98/343041898.db2.gz RJRFTMRNRKCWCF-SSDOTTSWSA-N 0 2 236.237 2.716 20 0 BFADLN O=[S@@](CC[C@@H]1CCCCO1)c1cccs1 ZINC000350552824 136361715 /nfs/dbraw/zinc/36/17/15/136361715.db2.gz GXRDVTXBJBGKQO-BONVTDFDSA-N 0 2 244.381 2.815 20 0 BFADLN Cc1nc(=NCc2ccc([C@H]3C[C@@H]3C)o2)s[nH]1 ZINC000565808372 343714479 /nfs/dbraw/zinc/71/44/79/343714479.db2.gz BEWLDIMDWAIFCS-XVKPBYJWSA-N 0 2 249.339 2.597 20 0 BFADLN CC[C@@H](N=c1[nH]nc(C)s1)C1CCCC1 ZINC000387624867 346968062 /nfs/dbraw/zinc/96/80/62/346968062.db2.gz CYHGBZWUYSJQFX-SNVBAGLBSA-N 0 2 225.361 2.649 20 0 BFADLN CC(C)C(C)(C)Nc1nc(C2CC2)ns1 ZINC000570576009 323063286 /nfs/dbraw/zinc/06/32/86/323063286.db2.gz RBWPDFYDZAVRAY-UHFFFAOYSA-N 0 2 225.361 2.684 20 0 BFADLN Cc1n[nH]c(=NCC[C@H]2CCCC[C@H]2C)s1 ZINC000381437195 344506828 /nfs/dbraw/zinc/50/68/28/344506828.db2.gz DBQYGXTZBPMPIG-MWLCHTKSSA-N 0 2 239.388 2.897 20 0 BFADLN Cc1ccoc1C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000229477559 345645044 /nfs/dbraw/zinc/64/50/44/345645044.db2.gz RHPCDRUEOJATGR-ZDUSSCGKSA-N 0 2 245.278 2.504 20 0 BFADLN CC[C@@H](N=c1[nH]nc(C)s1)[C@@H]1CC1(C)C ZINC000397789819 323096391 /nfs/dbraw/zinc/09/63/91/323096391.db2.gz ZHAGQWLNJLCYKQ-DTWKUNHWSA-N 0 2 225.361 2.505 20 0 BFADLN CC[C@H](Nc1nc(C)ns1)[C@@H]1CC1(C)C ZINC000418997836 192096797 /nfs/dbraw/zinc/09/67/97/192096797.db2.gz PCDBKRQVJMQZRD-IUCAKERBSA-N 0 2 225.361 2.505 20 0 BFADLN CCCc1ccc(CN=c2[nH]ncs2)s1 ZINC000622001939 370652660 /nfs/dbraw/zinc/65/26/60/370652660.db2.gz OQEYIMMZSMNMNC-UHFFFAOYSA-N 0 2 239.369 2.586 20 0 BFADLN Cc1n[nH]c(=NC[C@H]2CCCC2(C)C)s1 ZINC000338811494 179811841 /nfs/dbraw/zinc/81/18/41/179811841.db2.gz OXIAXDVELSCNHD-SECBINFHSA-N 0 2 225.361 2.507 20 0 BFADLN CC(C)CC(CC(C)C)C(=O)N=c1cccn[nH]1 ZINC000410493352 191043613 /nfs/dbraw/zinc/04/36/13/191043613.db2.gz MKXMLBYBIGEKHM-UHFFFAOYSA-N 0 2 249.358 2.545 20 0 BFADLN CCCC[C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000281895517 351914589 /nfs/dbraw/zinc/91/45/89/351914589.db2.gz MIGZEKGBZXSZSY-SECBINFHSA-N 0 2 246.314 2.723 20 0 BFADLN CN(CCCC(=O)[O-])c1ccc2ccccc2[nH+]1 ZINC000037330215 358472956 /nfs/dbraw/zinc/47/29/56/358472956.db2.gz KLGHNQPYGKWAHA-UHFFFAOYSA-N 0 2 244.294 2.536 20 0 BFADLN Cc1[nH]ncc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000051188647 353157435 /nfs/dbraw/zinc/15/74/35/353157435.db2.gz TXIIQKCPXDPGCB-UHFFFAOYSA-N 0 2 241.338 2.887 20 0 BFADLN CCn1c[nH+]cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000334598074 354232737 /nfs/dbraw/zinc/23/27/37/354232737.db2.gz UPDOALJTTYBOBQ-JSGCOSHPSA-N 0 2 233.359 2.668 20 0 BFADLN C[C@]1(F)C[NH2+]CC[N@H+](CCCC2CCCC2)C1 ZINC000420329988 192214378 /nfs/dbraw/zinc/21/43/78/192214378.db2.gz KRXPAQVVEKNMNN-AWEZNQCLSA-N 0 2 242.382 2.590 20 0 BFADLN C[C@H]1CC[C@@H]1Nc1nc(C2CCCC2)ns1 ZINC000420643762 192253933 /nfs/dbraw/zinc/25/39/33/192253933.db2.gz WGZMDWKKHSCLPA-WPRPVWTQSA-N 0 2 237.372 2.828 20 0 BFADLN C[C@@H]1c2ccccc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000179460337 366260423 /nfs/dbraw/zinc/26/04/23/366260423.db2.gz QGEBZVNXJXRORQ-CYBMUJFWSA-N 0 2 241.338 2.502 20 0 BFADLN Cc1cccc(C)c1[C@H](C)N=c1[nH]ncs1 ZINC000450443158 202168228 /nfs/dbraw/zinc/16/82/28/202168228.db2.gz ZSADPJSVPFRJGD-JTQLQIEISA-N 0 2 233.340 2.750 20 0 BFADLN CC[C@H](N=c1nc(C(C)(C)C)[nH]s1)C(F)F ZINC000450560040 202198310 /nfs/dbraw/zinc/19/83/10/202198310.db2.gz HHLOUFCCUQWNFU-LURJTMIESA-N 0 2 249.330 2.713 20 0 BFADLN CCCC[C@H](CC)CC(=O)Nc1nc(C)n[nH]1 ZINC000117252516 356978537 /nfs/dbraw/zinc/97/85/37/356978537.db2.gz QBOBRALWGKXZMI-JTQLQIEISA-N 0 2 238.335 2.658 20 0 BFADLN CCc1nsc(N[C@H](CC)C(C)(C)C)n1 ZINC000389999404 357081323 /nfs/dbraw/zinc/08/13/23/357081323.db2.gz RSKJWKJBOHIZNM-MRVPVSSYSA-N 0 2 227.377 2.759 20 0 BFADLN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000050508120 358733302 /nfs/dbraw/zinc/73/33/02/358733302.db2.gz FKTSVSINWNGTRK-CYBMUJFWSA-N 0 2 245.278 2.504 20 0 BFADLN C[C@H]1CC[N@H+](Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000247269817 359207778 /nfs/dbraw/zinc/20/77/78/359207778.db2.gz YBAFJDQYUXMOON-GXTWGEPZSA-N 0 2 245.326 2.559 20 0 BFADLN Cc1n[nH]c(=NCc2csc(C)c2C)s1 ZINC000399751133 359653289 /nfs/dbraw/zinc/65/32/89/359653289.db2.gz AGPLHTQWSOFTGE-UHFFFAOYSA-N 0 2 239.369 2.559 20 0 BFADLN O=C([O-])c1ccc(N2CCCC3(CC3)CC2)[nH+]c1 ZINC000629769408 361691913 /nfs/dbraw/zinc/69/19/13/361691913.db2.gz JGLITOCOZOYGFP-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN O=C([O-])c1ccc(NC[C@@H]2CCCC23CC3)[nH+]c1 ZINC000629769864 361692633 /nfs/dbraw/zinc/69/26/33/361692633.db2.gz BJPGFUZSUCSZEL-NSHDSACASA-N 0 2 246.310 2.772 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@@H]2C[C@H]2C2CC2)s1 ZINC000381366676 367388858 /nfs/dbraw/zinc/38/88/58/367388858.db2.gz GJDHQHULPMTMNS-UWVGGRQHSA-N 0 2 237.372 2.541 20 0 BFADLN Cc1nsc(NCc2csc(C)c2C)n1 ZINC000399819133 368604231 /nfs/dbraw/zinc/60/42/31/368604231.db2.gz OLXIWAXAHDRFPI-UHFFFAOYSA-N 0 2 239.369 2.559 20 0 BFADLN Cc1nc(=NCc2csc(C)c2C)s[nH]1 ZINC000399819133 368604239 /nfs/dbraw/zinc/60/42/39/368604239.db2.gz OLXIWAXAHDRFPI-UHFFFAOYSA-N 0 2 239.369 2.559 20 0 BFADLN Cc1cc(C)cc([N@H+](C)CC2(CC(=O)[O-])CC2)c1 ZINC000088256062 368908803 /nfs/dbraw/zinc/90/88/03/368908803.db2.gz VXHSNOAXRORPSG-UHFFFAOYSA-N 0 2 247.338 2.995 20 0 BFADLN Cc1cc(C)cc([N@@H+](C)CC2(CC(=O)[O-])CC2)c1 ZINC000088256062 368908807 /nfs/dbraw/zinc/90/88/07/368908807.db2.gz VXHSNOAXRORPSG-UHFFFAOYSA-N 0 2 247.338 2.995 20 0 BFADLN CC(C)c1n[nH]c(=NCC[C@@H]2CC2(F)F)s1 ZINC000621345416 370279266 /nfs/dbraw/zinc/27/92/66/370279266.db2.gz LKGLKOWMAFUYIF-SSDOTTSWSA-N 0 2 247.314 2.541 20 0 BFADLN CCCC[C@H](C(=O)Nc1nc(C)n[nH]1)C(C)C ZINC000621879240 370577591 /nfs/dbraw/zinc/57/75/91/370577591.db2.gz QWJKCZGIXHLLSB-JTQLQIEISA-N 0 2 238.335 2.514 20 0 BFADLN Cc1ccccc1CNc1[nH+]cccc1C(=O)[O-] ZINC000013091517 371005330 /nfs/dbraw/zinc/00/53/30/371005330.db2.gz OIDSETKOOPZNII-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN CC1=NN(c2ncc(Cl)cc2Cl)C(=O)C1 ZINC000039368967 372956833 /nfs/dbraw/zinc/95/68/33/372956833.db2.gz KFDMMMSHYPETTA-UHFFFAOYSA-N 0 2 244.081 2.501 20 0 BFADLN Cc1cc(=O)n(-c2ncc(Cl)cc2Cl)[nH]1 ZINC000039368967 372956841 /nfs/dbraw/zinc/95/68/41/372956841.db2.gz KFDMMMSHYPETTA-UHFFFAOYSA-N 0 2 244.081 2.501 20 0 BFADLN CCC[C@H](CC)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051067493 169497287 /nfs/dbraw/zinc/49/72/87/169497287.db2.gz CECPDNMNILYBHK-VIFPVBQESA-N 0 2 222.288 2.770 20 0 BFADLN CC(C)(NC(=O)C(F)(F)F)c1cccc(F)c1 ZINC000082278009 384658819 /nfs/dbraw/zinc/65/88/19/384658819.db2.gz JFMOZFLUIMEPDK-UHFFFAOYSA-N 0 2 249.207 2.739 20 0 BFADLN c1cn(CC[N@@H+]2CCC[C@H]2c2ccsc2)c[nH+]1 ZINC000162828824 384691872 /nfs/dbraw/zinc/69/18/72/384691872.db2.gz AUCAVUHXFKAEOC-ZDUSSCGKSA-N 0 2 247.367 2.782 20 0 BFADLN Cc1nsc(NC[C@H]2CCCCC2(F)F)n1 ZINC000336232817 385055308 /nfs/dbraw/zinc/05/53/08/385055308.db2.gz ZIWUZEJXLCHDCQ-MRVPVSSYSA-N 0 2 247.314 2.506 20 0 BFADLN Cc1n[nH]c(=NC[C@H]2CCCCC2(F)F)s1 ZINC000336232753 385059630 /nfs/dbraw/zinc/05/96/30/385059630.db2.gz POCFFEORXNDJNR-MRVPVSSYSA-N 0 2 247.314 2.506 20 0 BFADLN CC[C@@]1(C)CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647450869 385032886 /nfs/dbraw/zinc/03/28/86/385032886.db2.gz BHZGVWPWHBBLGH-AWEZNQCLSA-N 0 2 248.326 2.796 20 0 BFADLN CCC[C@@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647451655 385036937 /nfs/dbraw/zinc/03/69/37/385036937.db2.gz CPVAHIZEOWRNAN-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN CCSCc1nc(=O)c2sccc2[nH]1 ZINC000272807363 385936337 /nfs/dbraw/zinc/93/63/37/385936337.db2.gz HHRKKNQRGHEMEC-UHFFFAOYSA-N 0 2 226.326 2.650 20 0 BFADLN CCCc1nsc(N[C@H]2CC23CCCC3)n1 ZINC000336752112 386013100 /nfs/dbraw/zinc/01/31/00/386013100.db2.gz DHBIYOWNLYMGDT-VIFPVBQESA-N 0 2 237.372 2.657 20 0 BFADLN CC(C)(C)c1nc(=N[C@@H]2CCC[C@H]2F)s[nH]1 ZINC000338845320 386160310 /nfs/dbraw/zinc/16/03/10/386160310.db2.gz SNDXCTQVGRIFPX-HTQZYQBOSA-N 0 2 243.351 2.560 20 0 BFADLN C[C@@H](CN=c1[nH]nc(C2CC2)s1)CC(F)F ZINC000645305008 386169156 /nfs/dbraw/zinc/16/91/56/386169156.db2.gz NXUMYTKRVGRAAB-ZCFIWIBFSA-N 0 2 247.314 2.541 20 0 BFADLN CC1(C)CCCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000416416555 386298546 /nfs/dbraw/zinc/29/85/46/386298546.db2.gz MAHHKMOGMHYSCB-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 ZINC000277626329 386453631 /nfs/dbraw/zinc/45/36/31/386453631.db2.gz YPJJLYWXPCVNFN-VXNVDRBHSA-N 0 2 249.207 2.764 20 0 BFADLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000277626329 386453641 /nfs/dbraw/zinc/45/36/41/386453641.db2.gz YPJJLYWXPCVNFN-VXNVDRBHSA-N 0 2 249.207 2.764 20 0 BFADLN Cc1cc(=NC(=O)C[C@H](C)C(C)(C)C)[nH]nc1C ZINC000359506616 387114386 /nfs/dbraw/zinc/11/43/86/387114386.db2.gz VDGSCLUFOLZTSL-JTQLQIEISA-N 0 2 249.358 2.526 20 0 BFADLN CCCC(C)(C)CC(=O)N=c1cc(C)c(C)n[nH]1 ZINC000362394848 387607897 /nfs/dbraw/zinc/60/78/97/387607897.db2.gz BXMOCZCKFKLCHQ-UHFFFAOYSA-N 0 2 249.358 2.670 20 0 BFADLN CONC(=O)C1(c2ccccc2)CCCCCC1 ZINC000527823244 387746334 /nfs/dbraw/zinc/74/63/34/387746334.db2.gz SYIFHKSGGKAGJG-UHFFFAOYSA-N 0 2 247.338 2.956 20 0 BFADLN CCOCc1ccc(N=c2nc(C)[nH]s2)cc1 ZINC000356783342 387720483 /nfs/dbraw/zinc/72/04/83/387720483.db2.gz UHKXRDNTRAOXHI-UHFFFAOYSA-N 0 2 249.339 2.549 20 0 BFADLN Cc1nc(=N[C@H]2CCc3ccc(F)cc32)s[nH]1 ZINC000524689318 388374937 /nfs/dbraw/zinc/37/49/37/388374937.db2.gz JSVISEBGPHPETF-NSHDSACASA-N 0 2 249.314 2.507 20 0 BFADLN CCCC[C@@H](CC)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000522316506 388750163 /nfs/dbraw/zinc/75/01/63/388750163.db2.gz ZGOOLSCORHNXLN-GFCCVEGCSA-N 0 2 249.358 2.670 20 0 BFADLN CCc1ccc(N=c2nc(C)[nH]s2)cc1C ZINC000540027461 388792018 /nfs/dbraw/zinc/79/20/18/388792018.db2.gz RMNWPIBEYCFAEA-UHFFFAOYSA-N 0 2 233.340 2.883 20 0 BFADLN Cc1ccc2c(c1)CCC[N@H+]2CCCC(=O)[O-] ZINC000020433384 132250706 /nfs/dbraw/zinc/25/07/06/132250706.db2.gz UTADKIPSYQQSQS-UHFFFAOYSA-N 0 2 233.311 2.612 20 0 BFADLN Cc1ccc2c(c1)CCC[N@@H+]2CCCC(=O)[O-] ZINC000020433384 132250708 /nfs/dbraw/zinc/25/07/08/132250708.db2.gz UTADKIPSYQQSQS-UHFFFAOYSA-N 0 2 233.311 2.612 20 0 BFADLN C[C@@H](CCC1CC1)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000263414235 135352682 /nfs/dbraw/zinc/35/26/82/135352682.db2.gz NITIPSISHPKTBA-VIFPVBQESA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@]1(C)CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263437306 135354734 /nfs/dbraw/zinc/35/47/34/135354734.db2.gz VVBNDSKOAAHJGI-CQSZACIVSA-N 0 2 248.326 2.796 20 0 BFADLN CC(C)=C(F)c1nc(Cc2ccccn2)no1 ZINC000334357698 135370134 /nfs/dbraw/zinc/37/01/34/135370134.db2.gz QPSKLEKGDXNJTQ-UHFFFAOYSA-N 0 2 233.246 2.776 20 0 BFADLN CCC1(CC)CCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000094803895 487559142 /nfs/dbraw/zinc/55/91/42/487559142.db2.gz HMVWNSHCUSLPQP-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1C ZINC000103294551 410890076 /nfs/dbraw/zinc/89/00/76/410890076.db2.gz RRNMQJFFQZMFAT-SSDOTTSWSA-N 0 2 222.675 2.699 20 0 BFADLN CCC1=NN(c2ccc(F)cc2F)C(=O)[C@H]1C ZINC000104159135 410926463 /nfs/dbraw/zinc/92/64/63/410926463.db2.gz BBLVTMVHHQEUSN-ZETCQYMHSA-N 0 2 238.237 2.714 20 0 BFADLN CC[C@@H](Nc1cc[nH+]c(C(=O)[O-])c1)C(C)C ZINC000042593752 411022215 /nfs/dbraw/zinc/02/22/15/411022215.db2.gz UBMHVVNZCGHKLJ-SNVBAGLBSA-N 0 2 222.288 2.626 20 0 BFADLN CCC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C ZINC000110454749 411098961 /nfs/dbraw/zinc/09/89/61/411098961.db2.gz NVMIVJZQDXCMDQ-JTQLQIEISA-N 0 2 216.284 2.744 20 0 BFADLN CC1=NN(c2nc3ccccc3s2)C(=O)[C@H]1C ZINC000112736728 411217882 /nfs/dbraw/zinc/21/78/82/411217882.db2.gz NCHMHTJMBNGMNF-ZETCQYMHSA-N 0 2 245.307 2.655 20 0 BFADLN Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C ZINC000112736728 411217885 /nfs/dbraw/zinc/21/78/85/411217885.db2.gz NCHMHTJMBNGMNF-ZETCQYMHSA-N 0 2 245.307 2.655 20 0 BFADLN CN(C[C@@H]1CC=CCC1)c1ccc(C(=O)[O-])c[nH+]1 ZINC000402648425 411305875 /nfs/dbraw/zinc/30/58/75/411305875.db2.gz JNGLSVPHDNSNEC-LLVKDONJSA-N 0 2 246.310 2.572 20 0 BFADLN CC[N@H+](Cc1ccsc1Cl)[C@@H](C)C(=O)[O-] ZINC000662217994 412022644 /nfs/dbraw/zinc/02/26/44/412022644.db2.gz YGMXPXCFIAPTEG-ZETCQYMHSA-N 0 2 247.747 2.697 20 0 BFADLN CC[N@@H+](Cc1ccsc1Cl)[C@@H](C)C(=O)[O-] ZINC000662217994 412022647 /nfs/dbraw/zinc/02/26/47/412022647.db2.gz YGMXPXCFIAPTEG-ZETCQYMHSA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@H](C)[C@@H](C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000181052258 171360923 /nfs/dbraw/zinc/36/09/23/171360923.db2.gz HVTZEZPXXUUXLF-DTWKUNHWSA-N 0 2 246.314 2.579 20 0 BFADLN C[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000037257034 176124112 /nfs/dbraw/zinc/12/41/12/176124112.db2.gz HLZJQEVFWLKMEA-MWLCHTKSSA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000079350735 487638271 /nfs/dbraw/zinc/63/82/71/487638271.db2.gz FPENTPUQLHBUAX-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN CC[C@@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000079350894 487638464 /nfs/dbraw/zinc/63/84/64/487638464.db2.gz GMXVDXBOEWLHIX-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN CC(C)[C@]1(C)C[C@H]1Nc1nc(C2CC2)ns1 ZINC000397243040 262920413 /nfs/dbraw/zinc/92/04/13/262920413.db2.gz SKEMHUNYPZYIJH-SKDRFNHKSA-N 0 2 237.372 2.684 20 0 BFADLN CC[C@H]1CC[C@@H](C)N1c1cc[nH+]c(C(=O)[O-])c1 ZINC000136211014 487717240 /nfs/dbraw/zinc/71/72/40/487717240.db2.gz AJZJDFHMTAGSQO-ZJUUUORDSA-N 0 2 234.299 2.547 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000385411089 487785190 /nfs/dbraw/zinc/78/51/90/487785190.db2.gz SCJZPNUPQGTREM-GHMZBOCLSA-N 0 2 248.326 2.795 20 0 BFADLN C[C@@H](CC(F)(F)F)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000235105554 487921233 /nfs/dbraw/zinc/92/12/33/487921233.db2.gz ARQKIJDFSNSPON-LURJTMIESA-N 0 2 248.204 2.533 20 0 BFADLN O=C([O-])c1cccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000403812329 323033263 /nfs/dbraw/zinc/03/32/63/323033263.db2.gz MRJXEDGNNUDRHG-MXWKQRLJSA-N 0 2 246.310 2.628 20 0 BFADLN Cc1nsc(N[C@@H]2C[C@H]2c2ccc(C)cc2)n1 ZINC000570923641 323074608 /nfs/dbraw/zinc/07/46/08/323074608.db2.gz PWZRNVCTIXQZKP-NWDGAFQWSA-N 0 2 245.351 2.545 20 0 BFADLN Cc1nc(=N[C@@H]2C[C@H]2c2ccc(C)cc2)s[nH]1 ZINC000570923641 323074609 /nfs/dbraw/zinc/07/46/09/323074609.db2.gz PWZRNVCTIXQZKP-NWDGAFQWSA-N 0 2 245.351 2.545 20 0 BFADLN C[C@@H](CNc1ccc2ccccc2[nH+]1)CC(=O)[O-] ZINC000147460596 488024805 /nfs/dbraw/zinc/02/48/05/488024805.db2.gz QKWGEUZMDZXQSI-SNVBAGLBSA-N 0 2 244.294 2.758 20 0 BFADLN CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590430 488053831 /nfs/dbraw/zinc/05/38/31/488053831.db2.gz VRDHNFFPRHZCDX-ZDUSSCGKSA-N 0 2 247.386 2.840 20 0 BFADLN CC[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667655413 488076335 /nfs/dbraw/zinc/07/63/35/488076335.db2.gz FFXXZFOPBXCIQA-ZDUSSCGKSA-N 0 2 235.375 2.741 20 0 BFADLN CC(C)C1(CNc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000232751413 488123984 /nfs/dbraw/zinc/12/39/84/488123984.db2.gz ORJGVJFAVPKZHS-UHFFFAOYSA-N 0 2 234.299 2.628 20 0 BFADLN CC(C)[C@H](Nc1cc[nH+]c(C(=O)[O-])c1)C1CC1 ZINC000324012061 487489149 /nfs/dbraw/zinc/48/91/49/487489149.db2.gz JGJZTNPRGDNUSG-LBPRGKRZSA-N 0 2 234.299 2.626 20 0 BFADLN C[C@@H]1CCC[C@H]1CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000230688705 488138214 /nfs/dbraw/zinc/13/82/14/488138214.db2.gz YNURZJASLKMRTA-ZJUUUORDSA-N 0 2 234.299 2.628 20 0 BFADLN C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047486 488195334 /nfs/dbraw/zinc/19/53/34/488195334.db2.gz CKLAOBQZCTZPRY-UPJWGTAASA-N 0 2 247.386 2.696 20 0 BFADLN O=c1nc([C@@H]2CCCS2)[nH]c2ccsc21 ZINC000129502470 491113278 /nfs/dbraw/zinc/11/32/78/491113278.db2.gz YRYYIDHGMGHTKK-ZETCQYMHSA-N 0 2 238.337 2.553 20 0 BFADLN CCS[C@H](C(=O)NOCC1CCC1)C(C)C ZINC000856347173 588869089 /nfs/dbraw/zinc/86/90/89/588869089.db2.gz FXZZIPFXWNLCDI-NSHDSACASA-N 0 2 245.388 2.612 20 0 BFADLN CC(C)[C@H](C)Sc1cc(Cl)[nH]c(=O)n1 ZINC000858429481 588954065 /nfs/dbraw/zinc/95/40/65/588954065.db2.gz HOSJBUKNWKRJMW-LURJTMIESA-N 0 2 232.736 2.972 20 0 BFADLN CC[C@@H](C)CSc1cc(Cl)[nH]c(=O)n1 ZINC000858442111 588954685 /nfs/dbraw/zinc/95/46/85/588954685.db2.gz FIRGUGADTWEMBM-ZCFIWIBFSA-N 0 2 232.736 2.974 20 0 BFADLN C[C@H]1CC[C@@H]([NH2+]c2ccc(OCC(=O)[O-])cc2)C1 ZINC000901719653 584483620 /nfs/dbraw/zinc/48/36/20/584483620.db2.gz JKVXNWZQISXSMT-CMPLNLGQSA-N 0 2 249.310 2.751 20 0 BFADLN COc1ccc([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)[O-])c(C)c1 ZINC000902100721 584525948 /nfs/dbraw/zinc/52/59/48/584525948.db2.gz HMKSYSPCBJJLKI-ADEWGFFLSA-N 0 2 249.310 2.525 20 0 BFADLN COc1cc(C)ccc1[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-] ZINC000902188828 584536172 /nfs/dbraw/zinc/53/61/72/584536172.db2.gz FTPOPJAIKNTUJI-GMTAPVOTSA-N 0 2 249.310 2.525 20 0 BFADLN CC(C)CN(C(=O)[C@@H](F)C(F)(F)F)C(C)C ZINC000788132092 585092071 /nfs/dbraw/zinc/09/20/71/585092071.db2.gz HQRRUSAQMKHLPU-MRVPVSSYSA-N 0 2 243.244 2.780 20 0 BFADLN CC(C)CN(C(=O)C(F)C(F)(F)F)C(C)C ZINC000788132092 585092072 /nfs/dbraw/zinc/09/20/72/585092072.db2.gz HQRRUSAQMKHLPU-MRVPVSSYSA-N 0 2 243.244 2.780 20 0 BFADLN C[C@H]1CCC(C)(C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000839432878 585103763 /nfs/dbraw/zinc/10/37/63/585103763.db2.gz CFZQNTAGGJJTBH-NKWVEPMBSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@H]1CCC(C)(C)N1C(=O)C(F)C(F)(F)F ZINC000839432878 585103764 /nfs/dbraw/zinc/10/37/64/585103764.db2.gz CFZQNTAGGJJTBH-NKWVEPMBSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000839432880 585103840 /nfs/dbraw/zinc/10/38/40/585103840.db2.gz CFZQNTAGGJJTBH-RNFRBKRXSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCC(C)(C)N1C(=O)C(F)C(F)(F)F ZINC000839432880 585103841 /nfs/dbraw/zinc/10/38/41/585103841.db2.gz CFZQNTAGGJJTBH-RNFRBKRXSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](F)C(F)(F)F ZINC000763921677 585457058 /nfs/dbraw/zinc/45/70/58/585457058.db2.gz VOPKXZGFEOCVKD-CSMHCCOUSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCCC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC000763921677 585457059 /nfs/dbraw/zinc/45/70/59/585457059.db2.gz VOPKXZGFEOCVKD-CSMHCCOUSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)CC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000764075659 585459465 /nfs/dbraw/zinc/45/94/65/585459465.db2.gz NGBZAJCSXDEVGM-SFYZADRCSA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)CC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000764075659 585459466 /nfs/dbraw/zinc/45/94/66/585459466.db2.gz NGBZAJCSXDEVGM-SFYZADRCSA-N 0 2 243.244 2.828 20 0 BFADLN CC[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000764250628 585462854 /nfs/dbraw/zinc/46/28/54/585462854.db2.gz CGRLJMFJDVINDM-YUMQZZPRSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000764250628 585462855 /nfs/dbraw/zinc/46/28/55/585462855.db2.gz CGRLJMFJDVINDM-YUMQZZPRSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000764250625 585462873 /nfs/dbraw/zinc/46/28/73/585462873.db2.gz CGRLJMFJDVINDM-SFYZADRCSA-N 0 2 241.228 2.535 20 0 BFADLN CC[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000764250625 585462874 /nfs/dbraw/zinc/46/28/74/585462874.db2.gz CGRLJMFJDVINDM-SFYZADRCSA-N 0 2 241.228 2.535 20 0 BFADLN CCN(C(=O)[C@@H](F)C(F)(F)F)C1CCCC1 ZINC000764336423 585463588 /nfs/dbraw/zinc/46/35/88/585463588.db2.gz OJSWRZSNUDPLOI-MRVPVSSYSA-N 0 2 241.228 2.678 20 0 BFADLN CCN(C(=O)C(F)C(F)(F)F)C1CCCC1 ZINC000764336423 585463589 /nfs/dbraw/zinc/46/35/89/585463589.db2.gz OJSWRZSNUDPLOI-MRVPVSSYSA-N 0 2 241.228 2.678 20 0 BFADLN CCC(CC)(CC)NC(=O)[C@H](F)C(F)(F)F ZINC000764575264 585468213 /nfs/dbraw/zinc/46/82/13/585468213.db2.gz QIMKOMLPHUUDCL-ZETCQYMHSA-N 0 2 243.244 2.972 20 0 BFADLN CCC(CC)(CC)NC(=O)C(F)C(F)(F)F ZINC000764575264 585468214 /nfs/dbraw/zinc/46/82/14/585468214.db2.gz QIMKOMLPHUUDCL-ZETCQYMHSA-N 0 2 243.244 2.972 20 0 BFADLN O=C(NC1CCCC1)c1cccc(Cl)c1O ZINC000775636490 585681946 /nfs/dbraw/zinc/68/19/46/585681946.db2.gz DRRPBCRAHBEERB-UHFFFAOYSA-N 0 2 239.702 2.718 20 0 BFADLN O=C(Nc1cccnc1)c1cccc(Cl)c1O ZINC000775639403 585682042 /nfs/dbraw/zinc/68/20/42/585682042.db2.gz OLBHFIPCGKWXQS-UHFFFAOYSA-N 0 2 248.669 2.693 20 0 BFADLN CC/C(C)=C(/C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000779982810 585771125 /nfs/dbraw/zinc/77/11/25/585771125.db2.gz PAZFASGDGKIDCZ-HJWRWDBZSA-N 0 2 244.298 2.643 20 0 BFADLN CC[C@@H](C)CONC(=O)[C@H](C)c1ccc(C)o1 ZINC000794843577 586050167 /nfs/dbraw/zinc/05/01/67/586050167.db2.gz SCMHQCPCDCFAIG-MWLCHTKSSA-N 0 2 239.315 2.785 20 0 BFADLN C[C@@H]1CC(C)(C)CN1C(=O)[C@H](F)C(F)(F)F ZINC000839878111 586168781 /nfs/dbraw/zinc/16/87/81/586168781.db2.gz YRTDPOHWYRDIPO-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CC(C)(C)CN1C(=O)C(F)C(F)(F)F ZINC000839878111 586168782 /nfs/dbraw/zinc/16/87/82/586168782.db2.gz YRTDPOHWYRDIPO-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN CCC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000810180039 586536350 /nfs/dbraw/zinc/53/63/50/586536350.db2.gz LZZVLNDRQDVNKS-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000810180039 586536351 /nfs/dbraw/zinc/53/63/51/586536351.db2.gz LZZVLNDRQDVNKS-QMMMGPOBSA-N 0 2 241.228 2.535 20 0 BFADLN CC(C)[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000810203477 586536683 /nfs/dbraw/zinc/53/66/83/586536683.db2.gz ADUXBZGLZAMYRC-JGVFFNPUSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000810203477 586536684 /nfs/dbraw/zinc/53/66/84/586536684.db2.gz ADUXBZGLZAMYRC-JGVFFNPUSA-N 0 2 241.228 2.534 20 0 BFADLN CC1(C)CCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC000810485785 586539881 /nfs/dbraw/zinc/53/98/81/586539881.db2.gz DELQQASFNHZKQU-RNFRBKRXSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC000810485785 586539882 /nfs/dbraw/zinc/53/98/82/586539882.db2.gz DELQQASFNHZKQU-RNFRBKRXSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](F)C(F)(F)F ZINC000810514393 586539993 /nfs/dbraw/zinc/53/99/93/586539993.db2.gz BBOTYXIDADAJKH-CSMHCCOUSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@H]1CCC[C@@H]1NC(=O)C(F)C(F)(F)F ZINC000810514393 586539994 /nfs/dbraw/zinc/53/99/94/586539994.db2.gz BBOTYXIDADAJKH-CSMHCCOUSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](CCC1CC1)NC(=O)[C@@H](F)C(F)(F)F ZINC000811115671 586555385 /nfs/dbraw/zinc/55/53/85/586555385.db2.gz IZUZZHVUDOFKSE-HTRCEHHLSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](CCC1CC1)NC(=O)C(F)C(F)(F)F ZINC000811115671 586555386 /nfs/dbraw/zinc/55/53/86/586555386.db2.gz IZUZZHVUDOFKSE-HTRCEHHLSA-N 0 2 241.228 2.582 20 0 BFADLN CC(C)C(C)(C)CNC(=O)[C@H](F)C(F)(F)F ZINC000811331083 586558541 /nfs/dbraw/zinc/55/85/41/586558541.db2.gz BSXOMMMFDHXMDW-ZETCQYMHSA-N 0 2 243.244 2.685 20 0 BFADLN CC(C)C(C)(C)CNC(=O)C(F)C(F)(F)F ZINC000811331083 586558542 /nfs/dbraw/zinc/55/85/42/586558542.db2.gz BSXOMMMFDHXMDW-ZETCQYMHSA-N 0 2 243.244 2.685 20 0 BFADLN CC[C@H](C)CON=c1nc(C2CC2)[nH]s1 ZINC000813621585 586604766 /nfs/dbraw/zinc/60/47/66/586604766.db2.gz BDVXTGHUTGPUAC-ZETCQYMHSA-N 0 2 227.333 2.805 20 0 BFADLN CC1(NC(=O)[C@@H](F)C(F)(F)F)CCCCC1 ZINC000815090966 586666127 /nfs/dbraw/zinc/66/61/27/586666127.db2.gz XTXTXAZOMOVTDJ-SSDOTTSWSA-N 0 2 241.228 2.726 20 0 BFADLN CC1(NC(=O)C(F)C(F)(F)F)CCCCC1 ZINC000815090966 586666129 /nfs/dbraw/zinc/66/61/29/586666129.db2.gz XTXTXAZOMOVTDJ-SSDOTTSWSA-N 0 2 241.228 2.726 20 0 BFADLN CCCCSCC(=O)NOC[C@@H](C)CC ZINC000816977050 586776824 /nfs/dbraw/zinc/77/68/24/586776824.db2.gz PLDRIYLSLSCWGQ-JTQLQIEISA-N 0 2 233.377 2.614 20 0 BFADLN C[C@H](F)CCNC(=O)c1cccc(Cl)c1O ZINC000818298540 586885379 /nfs/dbraw/zinc/88/53/79/586885379.db2.gz VSRFLANCHJUXIM-ZETCQYMHSA-N 0 2 245.681 2.524 20 0 BFADLN CCOc1cc(C)ccc1[NH2+][C@@H](C)CC(=O)[O-] ZINC000820383330 587045365 /nfs/dbraw/zinc/04/53/65/587045365.db2.gz WLZUYWDAZQXDJF-JTQLQIEISA-N 0 2 237.299 2.669 20 0 BFADLN C[C@]1(C(=O)NOc2ccc(F)cc2)C=CCC1 ZINC000824622319 587279762 /nfs/dbraw/zinc/27/97/62/587279762.db2.gz DAUQPWFDYAOHFM-ZDUSSCGKSA-N 0 2 235.258 2.592 20 0 BFADLN CCCC[NH2+]c1ccc(C)c(C(=O)[O-])c1 ZINC000829401778 587495802 /nfs/dbraw/zinc/49/58/02/587495802.db2.gz KVXJCJGBLMDODL-UHFFFAOYSA-N 0 2 207.273 2.905 20 0 BFADLN COc1ccc([NH2+]CC2CC2)cc1NC(=O)[O-] ZINC000829480253 587499819 /nfs/dbraw/zinc/49/98/19/587499819.db2.gz UDQTVQSYKBDRLE-UHFFFAOYSA-N 0 2 236.271 2.607 20 0 BFADLN C[C@@H](CC(C)(C)C)NC(=O)[C@@H](F)C(F)(F)F ZINC000837230808 587860618 /nfs/dbraw/zinc/86/06/18/587860618.db2.gz PKGMVZWCAWXDMH-NKWVEPMBSA-N 0 2 243.244 2.828 20 0 BFADLN C[C@@H](CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC000837230808 587860620 /nfs/dbraw/zinc/86/06/20/587860620.db2.gz PKGMVZWCAWXDMH-NKWVEPMBSA-N 0 2 243.244 2.828 20 0 BFADLN CC(C)CCC1=NN(C2CCC2)C(=O)C1 ZINC000871942308 589835916 /nfs/dbraw/zinc/83/59/16/589835916.db2.gz GJALWMWHSBHQRQ-UHFFFAOYSA-N 0 2 208.305 2.563 20 0 BFADLN CC(C)CCC1=NN(Cc2cccnc2)C(=O)C1 ZINC000871944715 589838564 /nfs/dbraw/zinc/83/85/64/589838564.db2.gz QHTPQJAUOVBELS-UHFFFAOYSA-N 0 2 245.326 2.606 20 0 BFADLN CCCCCC[C@H](C)N1N=C(C)CC1=O ZINC000871958185 589844266 /nfs/dbraw/zinc/84/42/66/589844266.db2.gz BDSINMXBOQBKNA-NSHDSACASA-N 0 2 210.321 2.954 20 0 BFADLN CC1=NN(c2cc(Cl)ccc2F)C(=O)[C@@H]1C ZINC000871963251 589847463 /nfs/dbraw/zinc/84/74/63/589847463.db2.gz MROCPHHWDHJOSV-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN O=C(NOc1ccccc1F)[C@@]12C[C@@H]1CCCC2 ZINC000874909352 590154137 /nfs/dbraw/zinc/15/41/37/590154137.db2.gz IODLZENTKZBOLD-HZMBPMFUSA-N 0 2 249.285 2.816 20 0 BFADLN CCC(C)(C)NC(=O)c1c(O)cc(F)cc1F ZINC000093918150 634437271 /nfs/dbraw/zinc/43/72/71/634437271.db2.gz IIMRKJZCPQVNLF-UHFFFAOYSA-N 0 2 243.253 2.589 20 0 BFADLN O=C([O-])c1ccc(N2CCC3(CCCC3)C2)[nH+]c1 ZINC000310889267 633015591 /nfs/dbraw/zinc/01/55/91/633015591.db2.gz XJHHYVCEMZOMIA-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN CC(C)(/C=C\Cl)NC(=O)C(F)C(F)(F)F ZINC000928928924 636523562 /nfs/dbraw/zinc/52/35/62/636523562.db2.gz HWGYZVQFDZGCET-XUELKZDXSA-N 0 2 247.619 2.534 20 0 BFADLN CC(C)(/C=C\Cl)NC(=O)[C@H](F)C(F)(F)F ZINC000928928924 636523569 /nfs/dbraw/zinc/52/35/69/636523569.db2.gz HWGYZVQFDZGCET-XUELKZDXSA-N 0 2 247.619 2.534 20 0 BFADLN CC(C)CONC(=O)[C@]1(C)CCc2ccccc21 ZINC000843835623 643379138 /nfs/dbraw/zinc/37/91/38/643379138.db2.gz JKFAGCJFUIWYNC-OAHLLOKOSA-N 0 2 247.338 2.594 20 0 BFADLN CC[C@@H]1[C@@H](C)CCN1C(=O)C(F)C(F)(F)F ZINC000811185834 644911324 /nfs/dbraw/zinc/91/13/24/644911324.db2.gz USWZACGJJTYTSL-RNJXMRFFSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H](F)C(F)(F)F ZINC000811185834 644911328 /nfs/dbraw/zinc/91/13/28/644911328.db2.gz USWZACGJJTYTSL-RNJXMRFFSA-N 0 2 241.228 2.534 20 0 BFADLN Cc1ccc([C@H](C)C(=O)NOCCC2CC2)o1 ZINC000817403201 644979540 /nfs/dbraw/zinc/97/95/40/644979540.db2.gz COZZNIPSBSMHJU-JTQLQIEISA-N 0 2 237.299 2.539 20 0 BFADLN CSc1ccc(F)c(Nc2nnc(C)o2)c1 ZINC001250118629 967404764 /nfs/dbraw/zinc/40/47/64/967404764.db2.gz CUZNENAGRFTRPJ-UHFFFAOYSA-N 0 2 239.275 2.983 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cc(C(=O)[O-])ccc1C ZINC001241002122 982084531 /nfs/dbraw/zinc/08/45/31/982084531.db2.gz RJCSJZSXWITPQO-DDEWIXKASA-N 0 2 217.268 2.569 20 0 BFADLN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cscc1Cl ZINC001589443263 982785617 /nfs/dbraw/zinc/78/56/17/982785617.db2.gz GYFQFJVXEJSVJT-VIFPVBQESA-N 0 2 247.747 2.697 20 0 BFADLN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cscc1Cl ZINC001589443263 982785629 /nfs/dbraw/zinc/78/56/29/982785629.db2.gz GYFQFJVXEJSVJT-VIFPVBQESA-N 0 2 247.747 2.697 20 0 BFADLN CC(=O)N1CC=C(c2ccccc2S)CC1 ZINC001241968221 983176149 /nfs/dbraw/zinc/17/61/49/983176149.db2.gz IONBVEZLXFNMNY-UHFFFAOYSA-N 0 2 233.336 2.611 20 0 BFADLN CCC[C@@H](Oc1nc(=O)[nH]cc1F)C(C)(C)C ZINC001225880918 974712026 /nfs/dbraw/zinc/71/20/26/974712026.db2.gz CANOSSHVGDOASI-SECBINFHSA-N 0 2 242.294 2.915 20 0 BFADLN CCCC(CCC)Oc1nc(=O)[nH]cc1F ZINC001225881712 974715937 /nfs/dbraw/zinc/71/59/37/974715937.db2.gz LOICKILCENNHBZ-UHFFFAOYSA-N 0 2 228.267 2.669 20 0 BFADLN CN(Cc1c(F)cc(O)cc1F)C(C)(C)C ZINC001144553374 972864910 /nfs/dbraw/zinc/86/49/10/972864910.db2.gz BBTAQNSRQXFHRX-UHFFFAOYSA-N 0 2 229.270 2.901 20 0 BFADLN Sc1ccc(NC2=CCCOC2)cc1 ZINC001216510773 971113136 /nfs/dbraw/zinc/11/31/36/971113136.db2.gz XBVKEXYVEQGMAC-UHFFFAOYSA-N 0 2 207.298 2.691 20 0 BFADLN Cc1ncncc1-c1cc(F)c(O)c(Cl)c1 ZINC001244500154 971311904 /nfs/dbraw/zinc/31/19/04/971311904.db2.gz BBNORZCLXRIKNG-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1csc(-n2[nH]c(C3CCC3)cc2=O)n1 ZINC001245924259 972099659 /nfs/dbraw/zinc/09/96/59/972099659.db2.gz BCNLQWLYJVXMFA-UHFFFAOYSA-N 0 2 235.312 2.610 20 0 BFADLN CC(C)N1N=C(c2cccc(O)c2)CC1=O ZINC001245939394 972104332 /nfs/dbraw/zinc/10/43/32/972104332.db2.gz NZTZVVWDCTWALP-UHFFFAOYSA-N 0 2 218.256 2.542 20 0 BFADLN CC(C)n1[nH]c(-c2cccc(O)c2)cc1=O ZINC001245939394 972104336 /nfs/dbraw/zinc/10/43/36/972104336.db2.gz NZTZVVWDCTWALP-UHFFFAOYSA-N 0 2 218.256 2.542 20 0 BFADLN Cc1cscc1CNc1ccc(C(=O)[O-])c[nH+]1 ZINC000094879289 958318617 /nfs/dbraw/zinc/31/86/17/958318617.db2.gz BIADJGZJMBEMQU-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN C[C@@H](CNc1ccc(C(=O)[O-])c[nH+]1)C(C)(C)C ZINC000162905993 959220949 /nfs/dbraw/zinc/22/09/49/959220949.db2.gz NQJOCAFXCGONLU-VIFPVBQESA-N 0 2 236.315 2.874 20 0 BFADLN Cc1ccc(NCc2cc(C(=O)[O-])co2)c(C)[nH+]1 ZINC000228175998 960000064 /nfs/dbraw/zinc/00/00/64/960000064.db2.gz FFMDAICUMZQZTR-UHFFFAOYSA-N 0 2 246.266 2.602 20 0 BFADLN Oc1c(Cl)cc(CN2CCC2)cc1Cl ZINC001140829993 960615780 /nfs/dbraw/zinc/61/57/80/960615780.db2.gz PMXKQRQCEDADEE-UHFFFAOYSA-N 0 2 232.110 2.905 20 0 BFADLN C[C@H]1OCC[C@H]1COc1ccc(S)cc1 ZINC001225556107 962250145 /nfs/dbraw/zinc/25/01/45/962250145.db2.gz XSUVQXTVSMJHGH-ZJUUUORDSA-N 0 2 224.325 2.779 20 0 BFADLN O=c1cc(Nc2ccccc2S)cc[nH]1 ZINC001212273904 966425067 /nfs/dbraw/zinc/42/50/67/966425067.db2.gz ZJRXIFLMOVSIAO-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN Cc1nonc1Nc1c2cc[nH]c2ccc1F ZINC001204257890 966948880 /nfs/dbraw/zinc/94/88/80/966948880.db2.gz XDFJJQOZEGTIRF-UHFFFAOYSA-N 0 2 232.218 2.742 20 0 BFADLN Oc1cc(F)c(-c2ncc(F)cn2)cc1Cl ZINC001250480516 967924952 /nfs/dbraw/zinc/92/49/52/967924952.db2.gz VEJWHQKHHNFGPG-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN O=c1cc(Nc2cccc(S)c2)cc[nH]1 ZINC001210945715 970079653 /nfs/dbraw/zinc/07/96/53/970079653.db2.gz SFKAXXJPARMYPJ-UHFFFAOYSA-N 0 2 218.281 2.820 20 0 BFADLN CC(C)(C)ONC(=O)[C@]1(C)CCc2ccccc21 ZINC001328592629 973173678 /nfs/dbraw/zinc/17/36/78/973173678.db2.gz YOXZHPSLHOQIKK-OAHLLOKOSA-N 0 2 247.338 2.737 20 0 BFADLN CC(C)(C)NC(=O)Nc1ccccc1S ZINC000170282807 974074818 /nfs/dbraw/zinc/07/48/18/974074818.db2.gz AEBNIRVFKAPGFA-UHFFFAOYSA-N 0 2 224.329 2.895 20 0 BFADLN C[C@@H]1COCC[C@H]1Oc1ccc(S)cc1 ZINC001225557550 974551367 /nfs/dbraw/zinc/55/13/67/974551367.db2.gz HONFAJFDSOJBMG-BXKDBHETSA-N 0 2 224.325 2.779 20 0 BFADLN O=c1cc(Cl)nc(OC2CCCCC2)[nH]1 ZINC001225560405 974554062 /nfs/dbraw/zinc/55/40/62/974554062.db2.gz WLEDARJLSHLMCU-UHFFFAOYSA-N 0 2 228.679 2.547 20 0 BFADLN CCC[C@H](Oc1nc(=O)[nH]cc1F)C(C)C ZINC001225882963 974712648 /nfs/dbraw/zinc/71/26/48/974712648.db2.gz XOPNGMLOBWSBFG-VIFPVBQESA-N 0 2 228.267 2.525 20 0 BFADLN CC(C)C[C@H](Oc1nc(=O)[nH]cc1F)C(C)C ZINC001225882263 974715572 /nfs/dbraw/zinc/71/55/72/974715572.db2.gz QRLDKTGGVZAFJH-JTQLQIEISA-N 0 2 242.294 2.771 20 0 BFADLN CC[C@H]1CC[C@H](Oc2nc(=O)[nH]cc2F)CC1 ZINC001225885063 974717759 /nfs/dbraw/zinc/71/77/59/974717759.db2.gz KTHGYUYWZWLQLQ-KYZUINATSA-N 0 2 240.278 2.669 20 0 BFADLN CC[C@H](COC)Oc1cccc(S)c1 ZINC001226016976 974764304 /nfs/dbraw/zinc/76/43/04/974764304.db2.gz WUTXOTDWBJIBTH-SECBINFHSA-N 0 2 212.314 2.779 20 0 BFADLN Cc1nc(O[C@@H](C)c2ccccc2)c(F)c(=O)[nH]1 ZINC001226422221 974891445 /nfs/dbraw/zinc/89/14/45/974891445.db2.gz UUAZQIVVYGWAQU-QMMMGPOBSA-N 0 2 248.257 2.770 20 0 BFADLN Cc1nc(O[C@H]2CCC[C@H](C)C2)c(F)c(=O)[nH]1 ZINC001226424882 974894201 /nfs/dbraw/zinc/89/42/01/974894201.db2.gz SOAIOSMWMAPEPB-CBAPKCEASA-N 0 2 240.278 2.587 20 0 BFADLN CCC[C@H](CC)Oc1[nH]c(=O)nc2cccnc21 ZINC001228011247 975850997 /nfs/dbraw/zinc/85/09/97/975850997.db2.gz YQDWIYUMPBXNDM-VIFPVBQESA-N 0 2 247.298 2.688 20 0 BFADLN Cc1c(Nc2ccc(S)cc2)cnn1C ZINC001174390867 976652883 /nfs/dbraw/zinc/65/28/83/976652883.db2.gz GNCXBCIRIKHTLJ-UHFFFAOYSA-N 0 2 219.313 2.761 20 0 BFADLN Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)[nH+]c1 ZINC001175215029 977332949 /nfs/dbraw/zinc/33/29/49/977332949.db2.gz FYGQVJLDHFAUTH-UHFFFAOYSA-N 0 2 246.241 2.971 20 0 BFADLN CC(C)(C)C=CNc1cc(=O)[nH]c(Cl)n1 ZINC001175572687 977563368 /nfs/dbraw/zinc/56/33/68/977563368.db2.gz PAKWWEIUZXNKDF-SNAWJCMRSA-N 0 2 227.695 2.807 20 0 BFADLN CC(C)(C)CC=Nc1cc(=O)[nH]c(Cl)n1 ZINC001175572687 977563379 /nfs/dbraw/zinc/56/33/79/977563379.db2.gz PAKWWEIUZXNKDF-SNAWJCMRSA-N 0 2 227.695 2.807 20 0 BFADLN Cc1ccc(C(=O)[O-])c2c1[N@H+](CC1CC1)CCC2 ZINC001600349438 978689008 /nfs/dbraw/zinc/68/90/08/978689008.db2.gz CLAPXAQFOPWNMV-UHFFFAOYSA-N 0 2 245.322 2.856 20 0 BFADLN Cc1ccc(C(=O)[O-])c2c1[N@@H+](CC1CC1)CCC2 ZINC001600349438 978689012 /nfs/dbraw/zinc/68/90/12/978689012.db2.gz CLAPXAQFOPWNMV-UHFFFAOYSA-N 0 2 245.322 2.856 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(/C=C/C(=O)[O-])cc1 ZINC001235457523 979049339 /nfs/dbraw/zinc/04/93/39/979049339.db2.gz CEUNNACGKPHTAN-MRLHRCPPSA-N 0 2 229.279 2.660 20 0 BFADLN CN(C)c1cc(-c2ccc(C(=O)[O-])cc2)cc[nH+]1 ZINC001236060007 979349024 /nfs/dbraw/zinc/34/90/24/979349024.db2.gz FUCCMOYEIVGJIL-UHFFFAOYSA-N 0 2 242.278 2.513 20 0 BFADLN CC1(CNc2cc(CC(=O)[O-])cc[nH+]2)CCCC1 ZINC001604583902 979680900 /nfs/dbraw/zinc/68/09/00/979680900.db2.gz BSIDMCBAQZNHOH-UHFFFAOYSA-N 0 2 248.326 2.701 20 0 BFADLN CCC1(CNc2ccc(C)c(C(=O)[O-])[nH+]2)CC1 ZINC001595379711 980919510 /nfs/dbraw/zinc/91/95/10/980919510.db2.gz QGQVIXCCZALEMQ-UHFFFAOYSA-N 0 2 234.299 2.690 20 0 BFADLN NC(=O)c1ccc(-c2ccccc2S)cc1 ZINC001239870566 981010616 /nfs/dbraw/zinc/01/06/16/981010616.db2.gz NLNINGHJPGPMDJ-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN CC(C)(O)Cn1cc(-c2cccc(S)c2)cn1 ZINC001240191222 981151365 /nfs/dbraw/zinc/15/13/65/981151365.db2.gz SXYRHRSQGMFVCL-UHFFFAOYSA-N 0 2 248.351 2.610 20 0 BFADLN CC(C)OC(=O)Nc1ccc(F)c(F)c1O ZINC001193495736 981352959 /nfs/dbraw/zinc/35/29/59/981352959.db2.gz IXQHJVDWWSTFPP-UHFFFAOYSA-N 0 2 231.198 2.627 20 0 BFADLN Sc1ccccc1-c1cnn([C@H]2CCOC2)c1 ZINC001240629711 981522449 /nfs/dbraw/zinc/52/24/49/981522449.db2.gz GMKTVYJNKPBPTO-NSHDSACASA-N 0 2 246.335 2.800 20 0 BFADLN Oc1cc(F)c(-c2cccc3[nH]nnc32)c(F)c1 ZINC001241120651 982245461 /nfs/dbraw/zinc/24/54/61/982245461.db2.gz FDLDCUBMUHMRDB-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1cc(F)c(-c2ccc3nn[nH]c3c2)c(F)c1 ZINC001241122347 982250244 /nfs/dbraw/zinc/25/02/44/982250244.db2.gz MVJVBZMOOGYQBM-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN c1cc2c(ccnc2-c2ccc3[nH]nnc3c2)o1 ZINC001241938993 983152742 /nfs/dbraw/zinc/15/27/42/983152742.db2.gz VZGLOJVLPRKMFN-UHFFFAOYSA-N 0 2 236.234 2.766 20 0 BFADLN Oc1cc(F)ccc1-c1ncnc2scnc21 ZINC001242216626 983411884 /nfs/dbraw/zinc/41/18/84/983411884.db2.gz YPMPWQYXKPUNGP-UHFFFAOYSA-N 0 2 247.254 2.598 20 0 BFADLN Cc1cncnc1-c1cccc(Cl)c1O ZINC001242362161 983650475 /nfs/dbraw/zinc/65/04/75/983650475.db2.gz BGLUCPRZGIQUJS-UHFFFAOYSA-N 0 2 220.659 2.811 20 0 BFADLN Cn1c[nH+]cc1-c1ccc2sc(=S)[n-]c2c1 ZINC001243068023 984482774 /nfs/dbraw/zinc/48/27/74/984482774.db2.gz SFEQQCLOZFEMHJ-UHFFFAOYSA-N 0 2 247.348 2.986 20 0 BFADLN CNc1cc(-c2cc(C)cc(C(=O)[O-])c2)cc[nH+]1 ZINC001243180112 984641352 /nfs/dbraw/zinc/64/13/52/984641352.db2.gz DVJHLOBJAIJFGG-UHFFFAOYSA-N 0 2 242.278 2.797 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cnc2[nH]ccc2n1 ZINC001243499141 985050916 /nfs/dbraw/zinc/05/09/16/985050916.db2.gz BZIBRJWPDOEMFZ-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cc2c(nn1)CCC2 ZINC001243501635 985053098 /nfs/dbraw/zinc/05/30/98/985053098.db2.gz MGEJDFQOIMBPFN-UHFFFAOYSA-N 0 2 248.232 2.616 20 0 BFADLN Cc1cc(-c2cc(F)cc(F)c2O)nnc1C ZINC001243502807 985060934 /nfs/dbraw/zinc/06/09/34/985060934.db2.gz BNNKFVXPQXGPPI-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN CCCNC(=S)Nc1ccccc1S ZINC001244874769 986410418 /nfs/dbraw/zinc/41/04/18/986410418.db2.gz NHKXFCLSPBPQLC-UHFFFAOYSA-N 0 2 226.370 2.672 20 0 BFADLN Oc1ccc(Cl)cc1-c1cncc2nc[nH]c21 ZINC001245050250 986607611 /nfs/dbraw/zinc/60/76/11/986607611.db2.gz DKRFIQJBEHITSL-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1ccc(Cl)cc1-c1ncc2[nH]ccc2n1 ZINC001245051595 986608752 /nfs/dbraw/zinc/60/87/52/986608752.db2.gz LWKAHDFXKGYRSA-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN CC(C)Cc1nsc(NC/C=C\C2CC2)n1 ZINC000378797105 986615567 /nfs/dbraw/zinc/61/55/67/986615567.db2.gz RACHDUUKCVCPRI-ARJAWSKDSA-N 0 2 237.372 2.537 20 0 BFADLN Cc1ccc(-c2cccc(C(=O)[O-])c2C)[nH+]c1N ZINC001245302744 986785657 /nfs/dbraw/zinc/78/56/57/986785657.db2.gz XLLKNWMNJIONFG-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Cn1cnc(-c2cc(Cl)c(O)cc2F)c1 ZINC000389345235 986853416 /nfs/dbraw/zinc/85/34/16/986853416.db2.gz UFMXXRYXPJGXBK-UHFFFAOYSA-N 0 2 226.638 2.585 20 0 BFADLN Oc1cc(F)c(-c2ccc(F)nn2)cc1Cl ZINC001245668228 987055443 /nfs/dbraw/zinc/05/54/43/987055443.db2.gz QKTCOYRVAYRYGK-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN O=c1cc(-c2ccc(F)cc2)[nH]n1CC1CC1 ZINC001245917404 987154088 /nfs/dbraw/zinc/15/40/88/987154088.db2.gz HQORQDJHQBJLQR-UHFFFAOYSA-N 0 2 232.258 2.805 20 0 BFADLN CCCN1N=C(c2cccc(F)c2)CC1=O ZINC001245921154 987159860 /nfs/dbraw/zinc/15/98/60/987159860.db2.gz TVPIONOHOJVYSJ-UHFFFAOYSA-N 0 2 220.247 2.805 20 0 BFADLN CCCn1[nH]c(-c2cccc(F)c2)cc1=O ZINC001245921154 987159869 /nfs/dbraw/zinc/15/98/69/987159869.db2.gz TVPIONOHOJVYSJ-UHFFFAOYSA-N 0 2 220.247 2.805 20 0 BFADLN O=C1CC(c2ccsc2)=NN1CC(F)(F)F ZINC001245948781 987223279 /nfs/dbraw/zinc/22/32/79/987223279.db2.gz HTDHONSJCNXEHX-UHFFFAOYSA-N 0 2 248.229 2.880 20 0 BFADLN CCc1sc(C(=O)[O-])cc1-c1c[nH]c(C)[nH+]1 ZINC001597818547 989453703 /nfs/dbraw/zinc/45/37/03/989453703.db2.gz VDLTZZVFHBPMNQ-UHFFFAOYSA-N 0 2 236.296 2.707 20 0 BFADLN Cc1nnc(Nc2cccc(Cl)c2F)o1 ZINC001203031900 991634784 /nfs/dbraw/zinc/63/47/84/991634784.db2.gz IZQQLMWTXMLPSP-UHFFFAOYSA-N 0 2 227.626 2.914 20 0 BFADLN CC[C@H](C)C[C@H](C)N=c1ccc(SC)n[nH]1 ZINC000393753550 994001224 /nfs/dbraw/zinc/00/12/24/994001224.db2.gz QQRZBMSHKFQWPG-UWVGGRQHSA-N 0 2 239.388 2.857 20 0 BFADLN C[C@@H]([NH2+]CC(C)(F)F)c1cc(C(=O)[O-])cs1 ZINC001593241270 994436908 /nfs/dbraw/zinc/43/69/08/994436908.db2.gz ZALTZKASYWKKQU-ZCFIWIBFSA-N 0 2 249.282 2.752 20 0 BFADLN Cc1cccc(N2N=C3[C@@H](C)CC[C@@H]3C2=O)c1 ZINC000634583074 342800359 /nfs/dbraw/zinc/80/03/59/342800359.db2.gz KQFBLNWQDFTHPF-JQWIXIFHSA-N 0 2 228.295 2.744 20 0 BFADLN C[C@@H]1CCC2=NN(c3ccccc3)C(=O)[C@H]2C1 ZINC000634582216 342797868 /nfs/dbraw/zinc/79/78/68/342797868.db2.gz NGZMZYXNBWSDHJ-PWSUYJOCSA-N 0 2 228.295 2.825 20 0 BFADLN Cc1ccccc1N1N=C2[C@@H](CC[C@@H]2C)C1=O ZINC000634582389 342798333 /nfs/dbraw/zinc/79/83/33/342798333.db2.gz RHTUAPQKRAQCFG-WDEREUQCSA-N 0 2 228.295 2.744 20 0 BFADLN C[C@H]1CCC2=NN(c3ccc(F)cc3)C(=O)[C@H]2C1 ZINC000634582852 342799687 /nfs/dbraw/zinc/79/96/87/342799687.db2.gz DDZDYEVIQXQONU-CABZTGNLSA-N 0 2 246.285 2.965 20 0 BFADLN C[C@]1(CNc2nc(C3CC3)ns2)C[C@H]2C[C@H]2C1 ZINC000624657747 342811268 /nfs/dbraw/zinc/81/12/68/342811268.db2.gz YRLOWGJDTWCSBK-IWIIMEHWSA-N 0 2 249.383 2.686 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@H](C)C2CC2)s1 ZINC000389863645 539018102 /nfs/dbraw/zinc/01/81/02/539018102.db2.gz FRTPBJBOYBIXHC-QMMMGPOBSA-N 0 2 225.361 2.541 20 0 BFADLN CCC1=NN(c2nc3ccccc3o2)C(=O)[C@H]1C ZINC000634586858 342930549 /nfs/dbraw/zinc/93/05/49/342930549.db2.gz YOFJQTCCQNATKX-QMMMGPOBSA-N 0 2 243.266 2.577 20 0 BFADLN CCc1[nH]n(-c2nc3ccccc3o2)c(=O)c1C ZINC000634586858 342930550 /nfs/dbraw/zinc/93/05/50/342930550.db2.gz YOFJQTCCQNATKX-QMMMGPOBSA-N 0 2 243.266 2.577 20 0 BFADLN CCCn1[nH]c2c(c1=O)CCCCCC2 ZINC000634592279 342945781 /nfs/dbraw/zinc/94/57/81/342945781.db2.gz DPLZRWQOWSAXJP-SNVBAGLBSA-N 0 2 208.305 2.565 20 0 BFADLN CCCC1=NN(c2ncccc2Cl)C(=O)C1 ZINC000634595248 342956734 /nfs/dbraw/zinc/95/67/34/342956734.db2.gz VJGIZBZKSKMAAF-UHFFFAOYSA-N 0 2 237.690 2.628 20 0 BFADLN CCCc1cc(=O)n(-c2ncccc2Cl)[nH]1 ZINC000634595248 342956735 /nfs/dbraw/zinc/95/67/35/342956735.db2.gz VJGIZBZKSKMAAF-UHFFFAOYSA-N 0 2 237.690 2.628 20 0 BFADLN CC1=NN(c2cccc3c2CCCC3)C(=O)[C@H]1C ZINC000634597164 342973385 /nfs/dbraw/zinc/97/33/85/342973385.db2.gz CPENMUCXSDCXJI-JTQLQIEISA-N 0 2 242.322 2.924 20 0 BFADLN CC1=NN(c2ccc(F)c(Cl)c2)C(=O)[C@@H]1C ZINC000634596399 342965880 /nfs/dbraw/zinc/96/58/80/342965880.db2.gz FSXOYFOIYQQEQX-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN CCCC1=NN(Cc2ccccc2F)C(=O)C1 ZINC000634607659 343003266 /nfs/dbraw/zinc/00/32/66/343003266.db2.gz DQTHBOWXGVQBTN-UHFFFAOYSA-N 0 2 234.274 2.714 20 0 BFADLN CCC1=NN(c2cccc(F)c2F)C(=O)[C@H]1C ZINC000634613616 343009252 /nfs/dbraw/zinc/00/92/52/343009252.db2.gz CSDCLZCWNXSALX-ZETCQYMHSA-N 0 2 238.237 2.714 20 0 BFADLN CCCC1=NN(CC(CC)CC)C(=O)C1 ZINC000634621280 343021484 /nfs/dbraw/zinc/02/14/84/343021484.db2.gz DGMBUGGOLJATKL-UHFFFAOYSA-N 0 2 210.321 2.811 20 0 BFADLN CCC(CC)Cn1[nH]c2c(c1=O)CCCC2 ZINC000634622081 343023720 /nfs/dbraw/zinc/02/37/20/343023720.db2.gz WLXZOYFEHTUSEY-NSHDSACASA-N 0 2 222.332 2.811 20 0 BFADLN C[C@@H](n1[nH]c2c(c1=O)C[C@H](C)CC2)C(F)(F)F ZINC000634630706 343041120 /nfs/dbraw/zinc/04/11/20/343041120.db2.gz CIOKYGORMNPRNS-BWZBUEFSSA-N 0 2 248.248 2.572 20 0 BFADLN O=[S@@](CC[C@@H]1CCCCO1)c1ccccc1 ZINC000350507900 136361768 /nfs/dbraw/zinc/36/17/68/136361768.db2.gz JGWBNQBYHAFRPV-LRDDRELGSA-N 0 2 238.352 2.753 20 0 BFADLN O=C1CC(c2ccsc2)=NN1CC1CC1 ZINC000409438985 343845772 /nfs/dbraw/zinc/84/57/72/343845772.db2.gz NHQGTEWZOFUAHA-UHFFFAOYSA-N 0 2 220.297 2.727 20 0 BFADLN O=c1cc(-c2ccsc2)[nH]n1CC1CC1 ZINC000409438985 343845775 /nfs/dbraw/zinc/84/57/75/343845775.db2.gz NHQGTEWZOFUAHA-UHFFFAOYSA-N 0 2 220.297 2.727 20 0 BFADLN c1nn[nH]c1CS[C@@H]1CCc2ccccc2C1 ZINC000583392942 344879468 /nfs/dbraw/zinc/87/94/68/344879468.db2.gz UQENBVLCZRTCGS-CYBMUJFWSA-N 0 2 245.351 2.595 20 0 BFADLN c1nn[nH]c1CS[C@H]1CCc2ccccc2C1 ZINC000583392943 344879694 /nfs/dbraw/zinc/87/96/94/344879694.db2.gz UQENBVLCZRTCGS-ZDUSSCGKSA-N 0 2 245.351 2.595 20 0 BFADLN C1CC12C[C@@H]2Nc1nc(C2CCCC2)ns1 ZINC000425272080 192087127 /nfs/dbraw/zinc/08/71/27/192087127.db2.gz JYYMZLULKRFJMH-VIFPVBQESA-N 0 2 235.356 2.582 20 0 BFADLN CCc1nsc(N[C@@H]2CCCC(F)(F)C2)n1 ZINC000335596488 345414006 /nfs/dbraw/zinc/41/40/06/345414006.db2.gz PPKQUZDGVSXXQH-SSDOTTSWSA-N 0 2 247.314 2.512 20 0 BFADLN C[C@H](Sc1n[nH]c(=O)[nH]1)c1cccc(F)c1 ZINC000187634488 346593233 /nfs/dbraw/zinc/59/32/33/346593233.db2.gz JEQOXBRFRAVXIB-LURJTMIESA-N 0 2 239.275 2.503 20 0 BFADLN CC(C)(C)n1nccc1NC(=O)C[C@H]1C=CCC1 ZINC000107123736 191068681 /nfs/dbraw/zinc/06/86/81/191068681.db2.gz XGKXHYSWEALDDY-NSHDSACASA-N 0 2 247.342 2.933 20 0 BFADLN Cc1nnc(N2Cc3ccccc3[C@@H]2C)nc1C ZINC000359605644 180428537 /nfs/dbraw/zinc/42/85/37/180428537.db2.gz XOLPNLVYXJMUHY-NSHDSACASA-N 0 2 240.310 2.570 20 0 BFADLN Cc1n[nH]c(=NCC2(C3CCC3)CCC2)s1 ZINC000413338665 191372247 /nfs/dbraw/zinc/37/22/47/191372247.db2.gz NAXQFFBKBYYUQS-UHFFFAOYSA-N 0 2 237.372 2.651 20 0 BFADLN CC[C@H](C)Nc1nc(C2CCCC2)ns1 ZINC000420591350 192247588 /nfs/dbraw/zinc/24/75/88/192247588.db2.gz VIDGLHZAJQNZGX-QMMMGPOBSA-N 0 2 225.361 2.828 20 0 BFADLN C[C@H](Nc1nc(C2CCCC2)ns1)C1CC1 ZINC000420594432 192248145 /nfs/dbraw/zinc/24/81/45/192248145.db2.gz ZRHVULNBLPHBQV-QMMMGPOBSA-N 0 2 237.372 2.828 20 0 BFADLN Cc1cccc(C(C)(C)CN=c2[nH]ncs2)c1 ZINC000450289444 202120557 /nfs/dbraw/zinc/12/05/57/202120557.db2.gz VIHRRHRJKOZQKZ-UHFFFAOYSA-N 0 2 247.367 2.658 20 0 BFADLN Cc1cc(C)cc(C[C@H](C)N=c2[nH]ncs2)c1 ZINC000450355143 202139461 /nfs/dbraw/zinc/13/94/61/202139461.db2.gz BHSTYUIMCLPGNY-NSHDSACASA-N 0 2 247.367 2.620 20 0 BFADLN CC[N@H+](Cc1cccs1)Cc1[nH]ncc1C ZINC000356065283 356788388 /nfs/dbraw/zinc/78/83/88/356788388.db2.gz ZPVPHTSHAZQUGE-UHFFFAOYSA-N 0 2 235.356 2.802 20 0 BFADLN Cc1ccccc1[C@H]1C[C@H](N=c2[nH]ncs2)C1 ZINC000450504429 202187454 /nfs/dbraw/zinc/18/74/54/202187454.db2.gz YIKFDVRXPQBMJE-XYPYZODXSA-N 0 2 245.351 2.627 20 0 BFADLN CC(C)=CCC[C@@H](C)N=c1[nH]nc(C)s1 ZINC000450673661 202231773 /nfs/dbraw/zinc/23/17/73/202231773.db2.gz LEKPXZAYPNQYKS-SECBINFHSA-N 0 2 225.361 2.815 20 0 BFADLN Cc1cccnc1-c1nc(=O)c2sccc2[nH]1 ZINC000048606371 358644621 /nfs/dbraw/zinc/64/46/21/358644621.db2.gz LSNKSQWUZXDQKO-UHFFFAOYSA-N 0 2 243.291 2.767 20 0 BFADLN C[C@@H]1CC[N@H+](Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000247269825 359207387 /nfs/dbraw/zinc/20/73/87/359207387.db2.gz YBAFJDQYUXMOON-TZMCWYRMSA-N 0 2 245.326 2.559 20 0 BFADLN CC(C)(C)Cn1[nH]c(-c2ccccc2)cc1=O ZINC000614185821 363749117 /nfs/dbraw/zinc/74/91/17/363749117.db2.gz RQPWVLZZTCAFGY-UHFFFAOYSA-N 0 2 230.311 2.669 20 0 BFADLN CCCC1=NN(CC2CCCC2)C(=O)C1 ZINC000614190201 363751322 /nfs/dbraw/zinc/75/13/22/363751322.db2.gz VCKAZTUNSGVEET-UHFFFAOYSA-N 0 2 208.305 2.565 20 0 BFADLN Cc1n[nH]c(=NCC(C)(C)C2CCC2)s1 ZINC000384860978 367746468 /nfs/dbraw/zinc/74/64/68/367746468.db2.gz OHHOWEVCIGPSKS-UHFFFAOYSA-N 0 2 225.361 2.507 20 0 BFADLN O=c1[nH]nc(SCc2cc3ccccc3o2)[nH]1 ZINC000446068980 201668350 /nfs/dbraw/zinc/66/83/50/201668350.db2.gz GWORSZLBGJCGMR-UHFFFAOYSA-N 0 2 247.279 2.549 20 0 BFADLN Cc1ccc(CNc2[nH+]cccc2C(=O)[O-])cc1 ZINC000013090782 371006082 /nfs/dbraw/zinc/00/60/82/371006082.db2.gz GVLMUXVNJZSGLB-UHFFFAOYSA-N 0 2 242.278 2.700 20 0 BFADLN C[C@H](CCc1ccccc1)Sc1n[nH]c(=O)[nH]1 ZINC000194637721 206103077 /nfs/dbraw/zinc/10/30/77/206103077.db2.gz FGRUABYAHLPKPX-SECBINFHSA-N 0 2 249.339 2.624 20 0 BFADLN CCONC(=O)C1(c2ccccc2)CCCC1 ZINC000070275246 384095291 /nfs/dbraw/zinc/09/52/91/384095291.db2.gz DQECGNZRVVZUSH-UHFFFAOYSA-N 0 2 233.311 2.566 20 0 BFADLN Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C(C)C ZINC000132987322 384267851 /nfs/dbraw/zinc/26/78/51/384267851.db2.gz OHDGJIYZMAZIID-UHFFFAOYSA-N 0 2 247.386 2.567 20 0 BFADLN Clc1c[nH+]ccc1NCC[NH+]1CCCCC1 ZINC000086831223 385050409 /nfs/dbraw/zinc/05/04/09/385050409.db2.gz YNMOTUYGMWJVNP-UHFFFAOYSA-N 0 2 239.750 2.633 20 0 BFADLN C[C@@H]1C[C@H](C)CCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000647446983 385035104 /nfs/dbraw/zinc/03/51/04/385035104.db2.gz CSBXFFAGZDFJRN-GHMZBOCLSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C[C@H](C)C1 ZINC000647447031 385035574 /nfs/dbraw/zinc/03/55/74/385035574.db2.gz GHWWXRIUVDQXRV-WDEREUQCSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@H]1CC2(CCC2)CN1c1[nH+]cccc1C(=O)[O-] ZINC000647453286 385040277 /nfs/dbraw/zinc/04/02/77/385040277.db2.gz ASUGHXIWQDMNLN-JTQLQIEISA-N 0 2 246.310 2.549 20 0 BFADLN CC(C)[C@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647453639 385041158 /nfs/dbraw/zinc/04/11/58/385041158.db2.gz ONTRYXKJRBQGNB-LBPRGKRZSA-N 0 2 248.326 2.652 20 0 BFADLN C[C@H]1CCN(c2[nH+]cccc2C(=O)[O-])CC1(C)C ZINC000647452859 385041373 /nfs/dbraw/zinc/04/13/73/385041373.db2.gz NMHHMWVWXCHTGT-JTQLQIEISA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)=CCC[C@@H](C)CC(=O)N=c1cccn[nH]1 ZINC000648293328 385127539 /nfs/dbraw/zinc/12/75/39/385127539.db2.gz BDIZFBBUBGTOOF-GFCCVEGCSA-N 0 2 247.342 2.610 20 0 BFADLN CCCCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000176937064 385160690 /nfs/dbraw/zinc/16/06/90/385160690.db2.gz RUVYCZPSJBCDPM-UHFFFAOYSA-N 0 2 243.253 2.590 20 0 BFADLN CC[C@H](C)NC(=O)c1cc(F)cc(Cl)c1O ZINC000176936260 385161421 /nfs/dbraw/zinc/16/14/21/385161421.db2.gz BITHPEAJQWCWBC-LURJTMIESA-N 0 2 245.681 2.713 20 0 BFADLN CCOc1cccc([C@@H](C)[NH2+]Cc2c[nH]cn2)c1 ZINC000171133030 385469452 /nfs/dbraw/zinc/46/94/52/385469452.db2.gz ZMNMQIBCAQIIPO-LLVKDONJSA-N 0 2 245.326 2.659 20 0 BFADLN CCN(C(=O)c1cc(F)c(O)c(F)c1)C(C)C ZINC000273950328 386053603 /nfs/dbraw/zinc/05/36/03/386053603.db2.gz MLRYEPRZGQNIPC-UHFFFAOYSA-N 0 2 243.253 2.541 20 0 BFADLN C[C@H]1CC2(CCC2)CN1c1cccc(C(=O)[O-])[nH+]1 ZINC000416412892 386298719 /nfs/dbraw/zinc/29/87/19/386298719.db2.gz BFSVQKVKWSRZAA-JTQLQIEISA-N 0 2 246.310 2.549 20 0 BFADLN C[C@@H]1CC2(CCC2)CN1c1cccc(C(=O)[O-])[nH+]1 ZINC000416412897 386299152 /nfs/dbraw/zinc/29/91/52/386299152.db2.gz BFSVQKVKWSRZAA-SNVBAGLBSA-N 0 2 246.310 2.549 20 0 BFADLN CC[C@@H](C)CONc1cncc(Cl)n1 ZINC000291848006 386590915 /nfs/dbraw/zinc/59/09/15/386590915.db2.gz MGADFPPPQBOQAQ-SSDOTTSWSA-N 0 2 215.684 2.520 20 0 BFADLN CC[C@@H](C)CON=c1cncc(Cl)[nH]1 ZINC000291848006 386590921 /nfs/dbraw/zinc/59/09/21/386590921.db2.gz MGADFPPPQBOQAQ-SSDOTTSWSA-N 0 2 215.684 2.520 20 0 BFADLN CC(C)(C)c1n[nH]c(=NCC2CC=CC2)s1 ZINC000528113675 387848037 /nfs/dbraw/zinc/84/80/37/387848037.db2.gz IJRMQDHWHDQSLP-UHFFFAOYSA-N 0 2 237.372 2.636 20 0 BFADLN CC(C)[C@@]1(C)C[C@H]1Nc1nc(C2CC2)ns1 ZINC000397243037 388455566 /nfs/dbraw/zinc/45/55/66/388455566.db2.gz SKEMHUNYPZYIJH-BXKDBHETSA-N 0 2 237.372 2.684 20 0 BFADLN CCc1nsc(NC(C)(C)C(C)(C)C)n1 ZINC000336711067 388465352 /nfs/dbraw/zinc/46/53/52/388465352.db2.gz UGJKWUDFBQTVPF-UHFFFAOYSA-N 0 2 227.377 2.759 20 0 BFADLN Cc1csc(CNc2cccc(C(=O)[O-])[nH+]2)c1 ZINC000344721676 388508612 /nfs/dbraw/zinc/50/86/12/388508612.db2.gz JSIFIEAFQITSEM-UHFFFAOYSA-N 0 2 248.307 2.762 20 0 BFADLN CCC[N@H+](CC)c1cccc(C(=O)[O-])c1 ZINC000227671647 388755509 /nfs/dbraw/zinc/75/55/09/388755509.db2.gz QJFOUBMDIWESOM-UHFFFAOYSA-N 0 2 207.273 2.621 20 0 BFADLN CCC[N@@H+](CC)c1cccc(C(=O)[O-])c1 ZINC000227671647 388755511 /nfs/dbraw/zinc/75/55/11/388755511.db2.gz QJFOUBMDIWESOM-UHFFFAOYSA-N 0 2 207.273 2.621 20 0 BFADLN C[C@H](CCC1CC1)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000263414234 135353128 /nfs/dbraw/zinc/35/31/28/135353128.db2.gz NITIPSISHPKTBA-SECBINFHSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1CC[C@@H]1NC(=O)c1cccc2cnccc21 ZINC000334354274 135369951 /nfs/dbraw/zinc/36/99/51/135369951.db2.gz ZGHBYJNOMRCIRC-HZMBPMFUSA-N 0 2 240.306 2.763 20 0 BFADLN CCC1(CC)CCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000094803885 487558539 /nfs/dbraw/zinc/55/85/39/487558539.db2.gz FTISQTKNRHMNPV-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN O=C([O-])c1ccc(NC[C@@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000662886738 409966445 /nfs/dbraw/zinc/96/64/45/409966445.db2.gz LXFNQYSDBVNCMW-JBLDHEPKSA-N 0 2 246.310 2.628 20 0 BFADLN CC1=NN(c2cc(C)cc(C)c2)C(=O)[C@@H]1C ZINC000103294702 410887705 /nfs/dbraw/zinc/88/77/05/410887705.db2.gz WWRUKUPGPXVGCY-SNVBAGLBSA-N 0 2 216.284 2.662 20 0 BFADLN CC(C)n1cccc1C(=O)N(C)CC1CCC1 ZINC000121843407 167766497 /nfs/dbraw/zinc/76/64/97/167766497.db2.gz VCBUWEMPXCKXAS-UHFFFAOYSA-N 0 2 234.343 2.941 20 0 BFADLN CN(C[C@H]1CC=CCC1)c1ccc(C(=O)[O-])c[nH+]1 ZINC000402648427 411305706 /nfs/dbraw/zinc/30/57/06/411305706.db2.gz JNGLSVPHDNSNEC-NSHDSACASA-N 0 2 246.310 2.572 20 0 BFADLN CN(C[C@@H]1CC=CCC1)c1[nH+]cccc1C(=O)[O-] ZINC000402666830 411307425 /nfs/dbraw/zinc/30/74/25/411307425.db2.gz QNTFVJZXRWKYCR-LLVKDONJSA-N 0 2 246.310 2.572 20 0 BFADLN CC[C@H](C)[C@@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000042559485 171367294 /nfs/dbraw/zinc/36/72/94/171367294.db2.gz OPAGHUPLUTZCTI-DTWKUNHWSA-N 0 2 222.288 2.626 20 0 BFADLN COc1ccccc1[C@@H](C)SCc1cnn[nH]1 ZINC000295911583 175345836 /nfs/dbraw/zinc/34/58/36/175345836.db2.gz FTBBZPRONCLHOM-SECBINFHSA-N 0 2 249.339 2.808 20 0 BFADLN C[C@@H]1CCC[C@H]1CN=c1[nH]nc(C2CC2)s1 ZINC000336780112 176147749 /nfs/dbraw/zinc/14/77/49/176147749.db2.gz QLWLJTVBQJKOIT-SCZZXKLOSA-N 0 2 237.372 2.686 20 0 BFADLN CCCC1(CNc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000233052982 487689609 /nfs/dbraw/zinc/68/96/09/487689609.db2.gz GRTWNHGSAXRHTN-UHFFFAOYSA-N 0 2 234.299 2.772 20 0 BFADLN C[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1(C)CC1 ZINC000764611997 585469000 /nfs/dbraw/zinc/46/90/00/585469000.db2.gz YZCBRICOEDJZDO-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN C(N=c1[nH]nc(C2CC2)s1)C(C1CC1)C1CC1 ZINC000559398288 322975919 /nfs/dbraw/zinc/97/59/19/322975919.db2.gz ILRDVEZVZRBNDF-UHFFFAOYSA-N 0 2 249.383 2.686 20 0 BFADLN CCc1n[nH]c(=NCc2cccc(CC)c2)s1 ZINC000566310337 326032284 /nfs/dbraw/zinc/03/22/84/326032284.db2.gz JFQDELPYLGEOCS-UHFFFAOYSA-N 0 2 247.367 2.697 20 0 BFADLN CC(C)c1nsc(N[C@@H]2C[C@H]2c2ccco2)n1 ZINC000572968885 326421928 /nfs/dbraw/zinc/42/19/28/326421928.db2.gz GMTITOZGIGKIBL-RKDXNWHRSA-N 0 2 249.339 2.644 20 0 BFADLN C[C@H]1CC[C@H](CNc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000230429308 488105143 /nfs/dbraw/zinc/10/51/43/488105143.db2.gz VDADRJDOIDBTLD-UWVGGRQHSA-N 0 2 234.299 2.628 20 0 BFADLN CC1(C)CCC[C@@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000094330243 487529991 /nfs/dbraw/zinc/52/99/91/487529991.db2.gz LYNSRPAEQROFEB-JTQLQIEISA-N 0 2 234.299 2.770 20 0 BFADLN CC[C@H](C)CCCCC(=O)Nc1nc(C)n[nH]1 ZINC000680195288 487544590 /nfs/dbraw/zinc/54/45/90/487544590.db2.gz QQFOGEHDEAOKEH-VIFPVBQESA-N 0 2 238.335 2.658 20 0 BFADLN CC[N@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000678883136 488293491 /nfs/dbraw/zinc/29/34/91/488293491.db2.gz SGNBACUWGRCGPG-UHFFFAOYSA-N 0 2 249.280 2.548 20 0 BFADLN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(F)cc3)N=C12 ZINC000634583459 490047806 /nfs/dbraw/zinc/04/78/06/490047806.db2.gz WXFRJFNEJOVFGC-LDYMZIIASA-N 0 2 232.258 2.574 20 0 BFADLN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(F)cc3)N=C12 ZINC000634583457 491087198 /nfs/dbraw/zinc/08/71/98/491087198.db2.gz WXFRJFNEJOVFGC-KCJUWKMLSA-N 0 2 232.258 2.574 20 0 BFADLN CC1(CNc2cccc(C(=O)[O-])[nH+]2)CCCC1 ZINC000111622956 588764909 /nfs/dbraw/zinc/76/49/09/588764909.db2.gz YHLYCFIIKVKYKM-UHFFFAOYSA-N 0 2 234.299 2.772 20 0 BFADLN CCC(C)(C)[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000855368790 588829596 /nfs/dbraw/zinc/82/95/96/588829596.db2.gz VGCHVSDOIWQICK-NKWVEPMBSA-N 0 2 243.244 2.828 20 0 BFADLN CCC(C)(C)[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000855368790 588829597 /nfs/dbraw/zinc/82/95/97/588829597.db2.gz VGCHVSDOIWQICK-NKWVEPMBSA-N 0 2 243.244 2.828 20 0 BFADLN CC[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC000855876403 588852592 /nfs/dbraw/zinc/85/25/92/588852592.db2.gz CMGQZQKIZRVRBF-IONNQARKSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC000855876403 588852593 /nfs/dbraw/zinc/85/25/93/588852593.db2.gz CMGQZQKIZRVRBF-IONNQARKSA-N 0 2 241.228 2.582 20 0 BFADLN CCCCC1(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000889528804 582821207 /nfs/dbraw/zinc/82/12/07/582821207.db2.gz ZRWLCOXPWATZEN-SSDOTTSWSA-N 0 2 241.228 2.726 20 0 BFADLN CCCCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC000889528804 582821211 /nfs/dbraw/zinc/82/12/11/582821211.db2.gz ZRWLCOXPWATZEN-SSDOTTSWSA-N 0 2 241.228 2.726 20 0 BFADLN CONC(=O)CSc1ccc2ccccc2c1 ZINC000011051623 588874554 /nfs/dbraw/zinc/87/45/54/588874554.db2.gz YZBLZELYLIPEFT-UHFFFAOYSA-N 0 2 247.319 2.610 20 0 BFADLN CCCCS[C@H](C)C(=O)NOCC1CCC1 ZINC000856347088 588868574 /nfs/dbraw/zinc/86/85/74/588868574.db2.gz XWQPKIFBPVLWNB-SNVBAGLBSA-N 0 2 245.388 2.756 20 0 BFADLN Cc1cccc(N2N=C(CCC(C)C)CC2=O)n1 ZINC000871955306 583944287 /nfs/dbraw/zinc/94/42/87/583944287.db2.gz NBBSPEADHXEAKI-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN Cc1cccc(-n2[nH]c(CCC(C)C)cc2=O)n1 ZINC000871955306 583944288 /nfs/dbraw/zinc/94/42/88/583944288.db2.gz NBBSPEADHXEAKI-UHFFFAOYSA-N 0 2 245.326 2.919 20 0 BFADLN CC(C)CON=c1[nH]c(Cl)cs1 ZINC000858462906 588957233 /nfs/dbraw/zinc/95/72/33/588957233.db2.gz YYCXQRFSOIAIHL-UHFFFAOYSA-N 0 2 206.698 2.796 20 0 BFADLN O=C([O-])c1cccc(-c2[nH+]cn3c2CCCC3)c1 ZINC000901000949 584372965 /nfs/dbraw/zinc/37/29/65/584372965.db2.gz XPTBIXXBGBCOHD-UHFFFAOYSA-N 0 2 242.278 2.585 20 0 BFADLN C[C@@H]1CC[C@@H]([NH2+]c2ccc(OCC(=O)[O-])cc2)C1 ZINC000901719656 584483535 /nfs/dbraw/zinc/48/35/35/584483535.db2.gz JKVXNWZQISXSMT-ZYHUDNBSSA-N 0 2 249.310 2.751 20 0 BFADLN Cc1ccc([NH2+]C[C@@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000901718653 584483663 /nfs/dbraw/zinc/48/36/63/584483663.db2.gz VTZJBJMAEHCEEG-UWVGGRQHSA-N 0 2 219.284 2.761 20 0 BFADLN CC(C)(C)C[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901715911 584487954 /nfs/dbraw/zinc/48/79/54/584487954.db2.gz AAFIXDPCCJCBDJ-UHFFFAOYSA-N 0 2 237.299 2.608 20 0 BFADLN CC[C@@H](C)C[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901717007 584488220 /nfs/dbraw/zinc/48/82/20/584488220.db2.gz NAZVUXAGBKVDJX-SNVBAGLBSA-N 0 2 237.299 2.608 20 0 BFADLN CCC(F)(F)C[N@H+](CC(=O)[O-])C1CCCCC1 ZINC000903603673 584784582 /nfs/dbraw/zinc/78/45/82/584784582.db2.gz YOKKEDAYBMNPPU-UHFFFAOYSA-N 0 2 249.301 2.751 20 0 BFADLN CCC(F)(F)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000903603673 584784583 /nfs/dbraw/zinc/78/45/83/584784583.db2.gz YOKKEDAYBMNPPU-UHFFFAOYSA-N 0 2 249.301 2.751 20 0 BFADLN O=C([O-])[C@@H]1C[C@H]1C[N@H+](CC1CC1)c1ccccc1 ZINC000903896631 584819656 /nfs/dbraw/zinc/81/96/56/584819656.db2.gz FAULCMFOQOXIMY-GXTWGEPZSA-N 0 2 245.322 2.624 20 0 BFADLN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](CC1CC1)c1ccccc1 ZINC000903896631 584819657 /nfs/dbraw/zinc/81/96/57/584819657.db2.gz FAULCMFOQOXIMY-GXTWGEPZSA-N 0 2 245.322 2.624 20 0 BFADLN C[C@@H](C(=O)NOCc1ccccc1)c1ccco1 ZINC000741663932 585116337 /nfs/dbraw/zinc/11/63/37/585116337.db2.gz YFXYHWNZOBPISM-LLVKDONJSA-N 0 2 245.278 2.631 20 0 BFADLN CCCCOC(=O)c1cc(F)c(O)c(F)c1 ZINC000748482171 585193315 /nfs/dbraw/zinc/19/33/15/585193315.db2.gz KXEMDXSHTWLBRK-UHFFFAOYSA-N 0 2 230.210 2.627 20 0 BFADLN CCC/C(C)=C/C(=O)Nc1ccc2nn[nH]c2c1 ZINC000760713590 585396155 /nfs/dbraw/zinc/39/61/55/585396155.db2.gz SCLYORPBJMMJTN-VQHVLOKHSA-N 0 2 244.298 2.643 20 0 BFADLN CCC(CC)(CC)SCc1n[nH]c(=O)[nH]1 ZINC000762972818 585440272 /nfs/dbraw/zinc/44/02/72/585440272.db2.gz YVCSRTNBKTVVJR-UHFFFAOYSA-N 0 2 229.349 2.712 20 0 BFADLN C[C@@H]1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000764175486 585460837 /nfs/dbraw/zinc/46/08/37/585460837.db2.gz XBLRVTWRIHRGDH-PRJMDXOYSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000764175486 585460838 /nfs/dbraw/zinc/46/08/38/585460838.db2.gz XBLRVTWRIHRGDH-PRJMDXOYSA-N 0 2 241.228 2.582 20 0 BFADLN CCCCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000764148935 585461024 /nfs/dbraw/zinc/46/10/24/585461024.db2.gz GRABUAZDVQXIAV-YUMQZZPRSA-N 0 2 243.244 2.972 20 0 BFADLN CCCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000764148935 585461025 /nfs/dbraw/zinc/46/10/25/585461025.db2.gz GRABUAZDVQXIAV-YUMQZZPRSA-N 0 2 243.244 2.972 20 0 BFADLN C[C@@H](N(C)C(=O)[C@H](F)C(F)(F)F)C1(C)CC1 ZINC000764611997 585468999 /nfs/dbraw/zinc/46/89/99/585468999.db2.gz YZCBRICOEDJZDO-RQJHMYQMSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)CN(C)C(=O)c1cccc(Cl)c1O ZINC000775656255 585682297 /nfs/dbraw/zinc/68/22/97/585682297.db2.gz CDDGGJWKVMEHSN-UHFFFAOYSA-N 0 2 241.718 2.774 20 0 BFADLN O=C(Nc1ccccn1)c1cccc(Cl)c1O ZINC000775652816 585682578 /nfs/dbraw/zinc/68/25/78/585682578.db2.gz VHRCDFZPYSBEEE-UHFFFAOYSA-N 0 2 248.669 2.693 20 0 BFADLN CN(CC1CC1)C(=O)c1cccc(Cl)c1O ZINC000775663448 585682771 /nfs/dbraw/zinc/68/27/71/585682771.db2.gz BZHGFWOUWLQQJC-UHFFFAOYSA-N 0 2 239.702 2.528 20 0 BFADLN CC1(C)CN(C(=O)c2cccc(Cl)c2O)C1 ZINC000790237150 585961712 /nfs/dbraw/zinc/96/17/12/585961712.db2.gz VYUUCPSXMDZSGY-UHFFFAOYSA-N 0 2 239.702 2.528 20 0 BFADLN C[C@H]1C[C@H](C)N1C(=O)c1cccc(Cl)c1O ZINC000792533216 586001929 /nfs/dbraw/zinc/00/19/29/586001929.db2.gz VQLHKYHWSJTDAI-YUMQZZPRSA-N 0 2 239.702 2.669 20 0 BFADLN C[C@H]1CC(C)(C)CN1C(=O)[C@H](F)C(F)(F)F ZINC000839878108 586168590 /nfs/dbraw/zinc/16/85/90/586168590.db2.gz YRTDPOHWYRDIPO-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H]1CC(C)(C)CN1C(=O)C(F)C(F)(F)F ZINC000839878108 586168592 /nfs/dbraw/zinc/16/85/92/586168592.db2.gz YRTDPOHWYRDIPO-BQBZGAKWSA-N 0 2 241.228 2.534 20 0 BFADLN O=C(NCCC1CCCC1)[C@H](F)C(F)(F)F ZINC000810058693 586532832 /nfs/dbraw/zinc/53/28/32/586532832.db2.gz WOOMMPUZZIRSBS-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCCC1CCCC1)C(F)C(F)(F)F ZINC000810058693 586532833 /nfs/dbraw/zinc/53/28/33/586532833.db2.gz WOOMMPUZZIRSBS-QMMMGPOBSA-N 0 2 241.228 2.583 20 0 BFADLN CCC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000810180038 586536344 /nfs/dbraw/zinc/53/63/44/586536344.db2.gz LZZVLNDRQDVNKS-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000810180038 586536345 /nfs/dbraw/zinc/53/63/45/586536345.db2.gz LZZVLNDRQDVNKS-MRVPVSSYSA-N 0 2 241.228 2.535 20 0 BFADLN CCC[C@H](CC)NC(=O)[C@@H](F)C(F)(F)F ZINC000810251669 586537741 /nfs/dbraw/zinc/53/77/41/586537741.db2.gz UVUHMIJNUCKNJN-NKWVEPMBSA-N 0 2 229.217 2.582 20 0 BFADLN CCC[C@H](CC)NC(=O)C(F)C(F)(F)F ZINC000810251669 586537742 /nfs/dbraw/zinc/53/77/42/586537742.db2.gz UVUHMIJNUCKNJN-NKWVEPMBSA-N 0 2 229.217 2.582 20 0 BFADLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC000810408331 586538759 /nfs/dbraw/zinc/53/87/59/586538759.db2.gz CYZHXYZWCGBBGI-RQJHMYQMSA-N 0 2 243.244 2.685 20 0 BFADLN C[C@H](CNC(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810408331 586538760 /nfs/dbraw/zinc/53/87/60/586538760.db2.gz CYZHXYZWCGBBGI-RQJHMYQMSA-N 0 2 243.244 2.685 20 0 BFADLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC000810408328 586538769 /nfs/dbraw/zinc/53/87/69/586538769.db2.gz CYZHXYZWCGBBGI-BQBZGAKWSA-N 0 2 243.244 2.685 20 0 BFADLN C[C@@H](CNC(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810408328 586538770 /nfs/dbraw/zinc/53/87/70/586538770.db2.gz CYZHXYZWCGBBGI-BQBZGAKWSA-N 0 2 243.244 2.685 20 0 BFADLN CC[C@@H](C)CN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC000810475316 586539678 /nfs/dbraw/zinc/53/96/78/586539678.db2.gz JIPRCBKDSLTUKH-HTQZYQBOSA-N 0 2 243.244 2.781 20 0 BFADLN CC[C@@H](C)CN(CC)C(=O)C(F)C(F)(F)F ZINC000810475316 586539679 /nfs/dbraw/zinc/53/96/79/586539679.db2.gz JIPRCBKDSLTUKH-HTQZYQBOSA-N 0 2 243.244 2.781 20 0 BFADLN CCCC[C@@H](C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000812381371 586575056 /nfs/dbraw/zinc/57/50/56/586575056.db2.gz RMUZROKDFCQRIJ-SFYZADRCSA-N 0 2 243.244 2.924 20 0 BFADLN CCCC[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000812381371 586575057 /nfs/dbraw/zinc/57/50/57/586575057.db2.gz RMUZROKDFCQRIJ-SFYZADRCSA-N 0 2 243.244 2.924 20 0 BFADLN O=C(NOCCC1CC1)C1(c2ccccc2)CC1 ZINC000817383289 586800067 /nfs/dbraw/zinc/80/00/67/586800067.db2.gz JFVQLKLCKVBPGV-UHFFFAOYSA-N 0 2 245.322 2.566 20 0 BFADLN CCC1(CC)CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000818119807 586876362 /nfs/dbraw/zinc/87/63/62/586876362.db2.gz NTOYSIIDRIOMME-SSDOTTSWSA-N 0 2 241.228 2.535 20 0 BFADLN CCC1(CC)CN(C(=O)C(F)C(F)(F)F)C1 ZINC000818119807 586876364 /nfs/dbraw/zinc/87/63/64/586876364.db2.gz NTOYSIIDRIOMME-SSDOTTSWSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1[C@@H](C)CN1C(=O)c1cccc(Cl)c1O ZINC000818466335 586892212 /nfs/dbraw/zinc/89/22/12/586892212.db2.gz KDAFOJGUSZKGSS-JGVFFNPUSA-N 0 2 239.702 2.526 20 0 BFADLN CCCC[NH2+]c1ccc(OC)c(NC(=O)[O-])c1 ZINC000826841856 587363987 /nfs/dbraw/zinc/36/39/87/587363987.db2.gz DJLBGAYVSQEEDN-UHFFFAOYSA-N 0 2 238.287 2.997 20 0 BFADLN CC(C)(C)SCCSCc1cnn[nH]1 ZINC000829504829 587500972 /nfs/dbraw/zinc/50/09/72/587500972.db2.gz DXWGMVALWRITHF-UHFFFAOYSA-N 0 2 231.390 2.570 20 0 BFADLN CC(C)(F)CNC(=O)c1cccc(Cl)c1O ZINC000869624155 589617605 /nfs/dbraw/zinc/61/76/05/589617605.db2.gz SKQHSEKCGCZLLQ-UHFFFAOYSA-N 0 2 245.681 2.524 20 0 BFADLN CCC(C)(C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC000870292219 589656206 /nfs/dbraw/zinc/65/62/06/589656206.db2.gz WYSWQGJJWXDXKA-SSDOTTSWSA-N 0 2 243.244 2.829 20 0 BFADLN CCC(C)(C)CCNC(=O)C(F)C(F)(F)F ZINC000870292219 589656207 /nfs/dbraw/zinc/65/62/07/589656207.db2.gz WYSWQGJJWXDXKA-SSDOTTSWSA-N 0 2 243.244 2.829 20 0 BFADLN CCCCC1=NN(c2cccc(F)n2)C(=O)[C@H]1C ZINC000871952956 589841043 /nfs/dbraw/zinc/84/10/43/589841043.db2.gz WIIIQZRGMGKDRM-VIFPVBQESA-N 0 2 249.289 2.750 20 0 BFADLN CCCCCC[C@@H](C)N1N=C(C)CC1=O ZINC000871958184 589844320 /nfs/dbraw/zinc/84/43/20/589844320.db2.gz BDSINMXBOQBKNA-LLVKDONJSA-N 0 2 210.321 2.954 20 0 BFADLN CCC[C@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC000881532491 591231689 /nfs/dbraw/zinc/23/16/89/591231689.db2.gz RBBDQOOAHQEONP-YUMQZZPRSA-N 0 2 243.244 2.829 20 0 BFADLN CCC[C@H](C)CCNC(=O)C(F)C(F)(F)F ZINC000881532491 591231691 /nfs/dbraw/zinc/23/16/91/591231691.db2.gz RBBDQOOAHQEONP-YUMQZZPRSA-N 0 2 243.244 2.829 20 0 BFADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2C(C)C)n1 ZINC000248535195 635113920 /nfs/dbraw/zinc/11/39/20/635113920.db2.gz KABNREAUKXBQEE-HBNTYKKESA-N 0 2 248.351 2.920 20 0 BFADLN Cc1n[nH]c(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)n1 ZINC000931905698 640387425 /nfs/dbraw/zinc/38/74/25/640387425.db2.gz OFGKHRIRHPIYKV-ZDUSSCGKSA-N 0 2 248.330 2.578 20 0 BFADLN C[C@H](CC(=O)[O-])[NH2+]c1ccc(N2CCCC2)cc1 ZINC000062996110 641115144 /nfs/dbraw/zinc/11/51/44/641115144.db2.gz MVLYUGRJEAPXPF-LLVKDONJSA-N 0 2 248.326 2.562 20 0 BFADLN C[C@H](CC(=O)[O-])Nc1ccc([NH+]2CCCC2)cc1 ZINC000062996110 641115148 /nfs/dbraw/zinc/11/51/48/641115148.db2.gz MVLYUGRJEAPXPF-LLVKDONJSA-N 0 2 248.326 2.562 20 0 BFADLN O=C(NOc1ccccc1F)C1(C2CC2)CCC1 ZINC000913817880 641487893 /nfs/dbraw/zinc/48/78/93/641487893.db2.gz HKMSVFOLDNUANC-UHFFFAOYSA-N 0 2 249.285 2.816 20 0 BFADLN O=c1cc(-c2ccc(Cl)cc2)[nH]n1CC1CC1 ZINC000917346001 642045850 /nfs/dbraw/zinc/04/58/50/642045850.db2.gz VPKUWHSNCHSJGK-UHFFFAOYSA-N 0 2 248.713 2.686 20 0 BFADLN O=C(/C=C\c1ncc[nH]1)c1cc(Cl)ccc1O ZINC000080727413 643287732 /nfs/dbraw/zinc/28/77/32/643287732.db2.gz PIKUAQLZNFZOFE-ARJAWSKDSA-N 0 2 248.669 2.665 20 0 BFADLN C[C@H]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000764457873 644657321 /nfs/dbraw/zinc/65/73/21/644657321.db2.gz SUQQRCOVKFXAPA-JGVFFNPUSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000764457873 644657324 /nfs/dbraw/zinc/65/73/24/644657324.db2.gz SUQQRCOVKFXAPA-JGVFFNPUSA-N 0 2 241.228 2.535 20 0 BFADLN CC(C)(C)CCNc1[nH+]cccc1C(=O)[O-] ZINC000135982821 711673310 /nfs/dbraw/zinc/67/33/10/711673310.db2.gz MTMOQJNKEWFDSD-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN CCCOC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC001194085360 981554899 /nfs/dbraw/zinc/55/48/99/981554899.db2.gz RGLDDVZJZKTUMF-UHFFFAOYSA-N 0 2 243.332 2.794 20 0 BFADLN C[N@H+]1CC=C(c2cc([S-])cc(S)c2)CC1 ZINC001241329876 982492439 /nfs/dbraw/zinc/49/24/39/982492439.db2.gz CJYACPLPYZBPCC-UHFFFAOYSA-N 0 2 237.393 2.983 20 0 BFADLN C[N@@H+]1CC=C(c2cc([S-])cc(S)c2)CC1 ZINC001241329876 982492446 /nfs/dbraw/zinc/49/24/46/982492446.db2.gz CJYACPLPYZBPCC-UHFFFAOYSA-N 0 2 237.393 2.983 20 0 BFADLN CCN(Cc1c(F)cc(O)cc1F)C(C)C ZINC001144541516 972862720 /nfs/dbraw/zinc/86/27/20/972862720.db2.gz HVWVMVCAPBDRNU-UHFFFAOYSA-N 0 2 229.270 2.901 20 0 BFADLN CONC(=O)C1(c2ccccc2)CC2(CCC2)C1 ZINC001141423122 961065003 /nfs/dbraw/zinc/06/50/03/961065003.db2.gz KNJXQWGHCHEHTD-UHFFFAOYSA-N 0 2 245.322 2.566 20 0 BFADLN Oc1c(F)cc(-c2cnccn2)cc1Cl ZINC001250442236 967866603 /nfs/dbraw/zinc/86/66/03/967866603.db2.gz FCGBKUJVKMDUFX-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Cc1ccc(-c2cc(Cl)c(O)cc2F)nn1 ZINC001250520969 968024081 /nfs/dbraw/zinc/02/40/81/968024081.db2.gz DLTXPZAQKFZSEB-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN O=C([O-])c1cc(-c2cccc3[nH+]ccn32)cs1 ZINC001206279313 968193758 /nfs/dbraw/zinc/19/37/58/968193758.db2.gz RUKXMZDGUNLSDX-UHFFFAOYSA-N 0 2 244.275 2.761 20 0 BFADLN CCC[C@H](O)CNc1ccccc1S ZINC001252788443 968966038 /nfs/dbraw/zinc/96/60/38/968966038.db2.gz XVXHSUJLBKSXQQ-VIFPVBQESA-N 0 2 211.330 2.548 20 0 BFADLN Cc1cc2c[nH+]c(-c3ccc(F)cc3[O-])nc2[nH]1 ZINC001242216448 969262145 /nfs/dbraw/zinc/26/21/45/969262145.db2.gz UREAVGKNXHUGIV-UHFFFAOYSA-N 0 2 243.241 2.730 20 0 BFADLN CC(C)(C)[C@H](O)CNc1ccccc1S ZINC001253733317 969355907 /nfs/dbraw/zinc/35/59/07/969355907.db2.gz UVYNAAAMRCRCBL-LLVKDONJSA-N 0 2 225.357 2.794 20 0 BFADLN Cc1cccc(Nc2cc(F)cc(C(=O)[O-])c2)[nH+]1 ZINC001209887601 969681026 /nfs/dbraw/zinc/68/10/26/969681026.db2.gz MJPUUCYGOMGRIL-UHFFFAOYSA-N 0 2 246.241 2.971 20 0 BFADLN CC(C)(C)C(=O)Nc1ccccc1S ZINC000090615721 969829081 /nfs/dbraw/zinc/82/90/81/969829081.db2.gz VTTULQMVHYQKTD-UHFFFAOYSA-N 0 2 209.314 2.960 20 0 BFADLN CC(C)n1cc(Nc2noc(C(C)(C)C)n2)cn1 ZINC001210318065 969865092 /nfs/dbraw/zinc/86/50/92/969865092.db2.gz NNHDALNXEDJWBN-UHFFFAOYSA-N 0 2 249.318 2.888 20 0 BFADLN CCc1nnc(-c2cccc(Cl)c2O)o1 ZINC001255061725 969869796 /nfs/dbraw/zinc/86/97/96/969869796.db2.gz VKGHLWBAVBRPED-UHFFFAOYSA-N 0 2 224.647 2.658 20 0 BFADLN Oc1c(F)cccc1-c1nc(F)ccc1F ZINC001242352529 969901598 /nfs/dbraw/zinc/90/15/98/969901598.db2.gz XKFUIWSONYUXGW-UHFFFAOYSA-N 0 2 225.169 2.872 20 0 BFADLN c1csc(Nc2ncc3ccccc3n2)n1 ZINC001210987575 970087748 /nfs/dbraw/zinc/08/77/48/970087748.db2.gz XVLVFPSXRAITFH-UHFFFAOYSA-N 0 2 228.280 2.830 20 0 BFADLN Cn1cnc2cnc(-c3cccc(S)c3)cc21 ZINC001242865816 970116297 /nfs/dbraw/zinc/11/62/97/970116297.db2.gz DACAXKOFKXVBAG-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001206038706 970424711 /nfs/dbraw/zinc/42/47/11/970424711.db2.gz NKTANUFKEHZMAI-JKEDICHKSA-N 0 2 239.221 2.539 20 0 BFADLN COc1ccc(C)c(F)c1Nc1nnc(C)o1 ZINC001214622397 970518241 /nfs/dbraw/zinc/51/82/41/970518241.db2.gz MMSKQLFIZWRXES-UHFFFAOYSA-N 0 2 237.234 2.578 20 0 BFADLN CC1CC[NH+](Cc2n[nH]c3ccc(F)cc32)CC1 ZINC001144186792 972674032 /nfs/dbraw/zinc/67/40/32/972674032.db2.gz IKIBMDRRSKDKHP-UHFFFAOYSA-N 0 2 247.317 2.934 20 0 BFADLN CCC[C@@H](CC)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225559395 974555132 /nfs/dbraw/zinc/55/51/32/974555132.db2.gz POEXKSWJPIOOTH-SSDOTTSWSA-N 0 2 230.695 2.793 20 0 BFADLN CCCC[C@@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225882206 974713685 /nfs/dbraw/zinc/71/36/85/974713685.db2.gz QFCBICUTOSDZKD-MRVPVSSYSA-N 0 2 228.267 2.669 20 0 BFADLN CC(C)C[C@H](C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228007078 975849231 /nfs/dbraw/zinc/84/92/31/975849231.db2.gz IRFJGGNALKCYRG-VIFPVBQESA-N 0 2 247.298 2.544 20 0 BFADLN COc1ncccc1Nc1nnc(C(C)(C)C)o1 ZINC001174040333 976249134 /nfs/dbraw/zinc/24/91/34/976249134.db2.gz DMADAZCXWCYIDT-UHFFFAOYSA-N 0 2 248.286 2.514 20 0 BFADLN Oc1cc(F)cnc1Nc1cccc2[nH]ncc21 ZINC001174342833 976563703 /nfs/dbraw/zinc/56/37/03/976563703.db2.gz GKYGWQCCNYBFTF-UHFFFAOYSA-N 0 2 244.229 2.546 20 0 BFADLN Cc1n[nH]c(SCc2ccccc2CF)n1 ZINC001334706231 976592978 /nfs/dbraw/zinc/59/29/78/976592978.db2.gz MTYSSLNKFBPHJV-UHFFFAOYSA-N 0 2 237.303 2.875 20 0 BFADLN O=c1nc2c3ccccc3oc2c(OC2CC2)[nH]1 ZINC001230665824 977288313 /nfs/dbraw/zinc/28/83/13/977288313.db2.gz HYDNCKKXMCGTMH-UHFFFAOYSA-N 0 2 242.234 2.623 20 0 BFADLN Cc1cc(O)c[nH+]c1Nc1cccc(C(=O)[O-])c1 ZINC001175329230 977380634 /nfs/dbraw/zinc/38/06/34/977380634.db2.gz UVVOVDUNDKBULK-UHFFFAOYSA-N 0 2 244.250 2.537 20 0 BFADLN CCC[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001336141154 977536461 /nfs/dbraw/zinc/53/64/61/977536461.db2.gz KGXGRVOLDGQHDZ-YUMQZZPRSA-N 0 2 241.228 2.678 20 0 BFADLN CCC[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001336141154 977536470 /nfs/dbraw/zinc/53/64/70/977536470.db2.gz KGXGRVOLDGQHDZ-YUMQZZPRSA-N 0 2 241.228 2.678 20 0 BFADLN CC(=O)N1CC=C(Nc2ccc(S)cc2)CC1 ZINC001176032293 977864207 /nfs/dbraw/zinc/86/42/07/977864207.db2.gz SQAZVMFAMIGOME-UHFFFAOYSA-N 0 2 248.351 2.523 20 0 BFADLN Cc1cc(C[N@H+](CCC(C)C)C2CC2)n[nH]1 ZINC001336942577 978072324 /nfs/dbraw/zinc/07/23/24/978072324.db2.gz DXLIBQMHGRHBRT-UHFFFAOYSA-N 0 2 221.348 2.729 20 0 BFADLN Oc1c(Cl)ccc(CN2CCC2)c1Cl ZINC001232624821 978202023 /nfs/dbraw/zinc/20/20/23/978202023.db2.gz YMFSONILOBUGOK-UHFFFAOYSA-N 0 2 232.110 2.905 20 0 BFADLN Cc1nnc(Nc2cc(F)c(C)cc2F)o1 ZINC001249793505 978395971 /nfs/dbraw/zinc/39/59/71/978395971.db2.gz AEZJPMAPXAEBDH-UHFFFAOYSA-N 0 2 225.198 2.708 20 0 BFADLN Cc1ccc(N[C@@H](C)C2CCC2)[nH+]c1C(=O)[O-] ZINC001600458288 978696218 /nfs/dbraw/zinc/69/62/18/978696218.db2.gz GTUDLXVMDJLKGM-VIFPVBQESA-N 0 2 234.299 2.689 20 0 BFADLN C[C@H](Oc1cc(O)cc2occc(=O)c12)C1CC1 ZINC001233826877 978705539 /nfs/dbraw/zinc/70/55/39/978705539.db2.gz IIUBNUXZHATXGW-QMMMGPOBSA-N 0 2 246.262 2.676 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@H]1CCCC[C@@H]1C ZINC001600685147 978718406 /nfs/dbraw/zinc/71/84/06/978718406.db2.gz AZUJOVPSVHSMIB-GXSJLCMTSA-N 0 2 236.315 2.716 20 0 BFADLN Cc1[nH]c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(C)[nH+]1 ZINC001234608861 978872518 /nfs/dbraw/zinc/87/25/18/978872518.db2.gz MCNMPJKMHQFJNW-OLZOCXBDSA-N 0 2 233.359 2.649 20 0 BFADLN Cc1cc(=O)c2c(OC3CCC3)cc(O)cc2o1 ZINC001234814291 978906222 /nfs/dbraw/zinc/90/62/22/978906222.db2.gz OGPNIGQOKLACJG-UHFFFAOYSA-N 0 2 246.262 2.738 20 0 BFADLN CC[C@H](CC(F)F)Cn1cc(C(=O)[O-])[nH+]c1C ZINC001595041698 979227526 /nfs/dbraw/zinc/22/75/26/979227526.db2.gz USLJPGSEQXARRL-MRVPVSSYSA-N 0 2 246.257 2.571 20 0 BFADLN O=C([O-])c1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001236057560 979349369 /nfs/dbraw/zinc/34/93/69/979349369.db2.gz DZYSPJRWEWMZIH-UHFFFAOYSA-N 0 2 238.246 2.700 20 0 BFADLN Cc1ccc(N2C[C@H](C)C[C@H](C)C2)[nH+]c1C(=O)[O-] ZINC001607792802 980128507 /nfs/dbraw/zinc/12/85/07/980128507.db2.gz NRUTUXDIILMXNB-AOOOYVTPSA-N 0 2 248.326 2.571 20 0 BFADLN Cc1ccc(N2CCCC(C)(C)C2)[nH+]c1C(=O)[O-] ZINC001607792392 980128726 /nfs/dbraw/zinc/12/87/26/980128726.db2.gz BHOADCRTMNPRQY-UHFFFAOYSA-N 0 2 248.326 2.715 20 0 BFADLN Cc1ccc(N(C)[C@H](C)C(C)C)[nH+]c1C(=O)[O-] ZINC001607790271 980128855 /nfs/dbraw/zinc/12/88/55/980128855.db2.gz DOFAHQNJOYJIPM-SNVBAGLBSA-N 0 2 236.315 2.569 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239353590 980545376 /nfs/dbraw/zinc/54/53/76/980545376.db2.gz YVIQYZTUDRRGQJ-JKEDICHKSA-N 0 2 239.221 2.539 20 0 BFADLN Cc1n[nH]c(C)c1-c1cccc(S)c1 ZINC001240125193 981111491 /nfs/dbraw/zinc/11/14/91/981111491.db2.gz VJJHHUONJVLYFV-UHFFFAOYSA-N 0 2 204.298 2.982 20 0 BFADLN CC(C)(O)Cn1cc(-c2ccccc2S)cn1 ZINC001240191545 981153141 /nfs/dbraw/zinc/15/31/41/981153141.db2.gz ZRJSVIDJVIUODQ-UHFFFAOYSA-N 0 2 248.351 2.610 20 0 BFADLN O=C([O-])c1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001240217415 981166066 /nfs/dbraw/zinc/16/60/66/981166066.db2.gz BXYMOXVEMVBROH-UHFFFAOYSA-N 0 2 238.246 2.700 20 0 BFADLN Cc1cnc(-c2ccc(Cl)c(O)c2F)nc1 ZINC001250495999 981237043 /nfs/dbraw/zinc/23/70/43/981237043.db2.gz BTYQJPQOFLCNCP-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1nn(C)cc1-c1ccc(S)cc1 ZINC001240300773 981240264 /nfs/dbraw/zinc/24/02/64/981240264.db2.gz WWKRGESILWKNGJ-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN CNc1cc(-c2cc(F)cc(C(=O)[O-])c2)cc[nH+]1 ZINC001241835310 983082820 /nfs/dbraw/zinc/08/28/20/983082820.db2.gz IXRSLMZETLPFRD-UHFFFAOYSA-N 0 2 246.241 2.628 20 0 BFADLN c1cc2ccnc(-c3ccc4nn[nH]c4c3)c2[nH]1 ZINC001241938708 983152986 /nfs/dbraw/zinc/15/29/86/983152986.db2.gz RJWYQLPCMHQWEV-UHFFFAOYSA-N 0 2 235.250 2.501 20 0 BFADLN Cc1cnc(-c2ccc3nn[nH]c3c2)c2[nH]ccc21 ZINC001241940606 983155647 /nfs/dbraw/zinc/15/56/47/983155647.db2.gz PDQCXRZTKLBSNR-UHFFFAOYSA-N 0 2 249.277 2.810 20 0 BFADLN Oc1cc(F)ccc1-c1nncc2ccoc21 ZINC001242216779 983415330 /nfs/dbraw/zinc/41/53/30/983415330.db2.gz FJXHOPJJMZYWEM-UHFFFAOYSA-N 0 2 230.198 2.735 20 0 BFADLN CC(C)Oc1nccnc1-c1cccc(F)c1O ZINC001242350853 983614846 /nfs/dbraw/zinc/61/48/46/983614846.db2.gz VETKMSIYUVIQKS-UHFFFAOYSA-N 0 2 248.257 2.776 20 0 BFADLN COc1cncc(-c2cccc(Cl)c2O)n1 ZINC001242362325 983649733 /nfs/dbraw/zinc/64/97/33/983649733.db2.gz CRCYBXGPAHCNIH-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN Oc1c(Cl)cccc1-c1ccc2nc[nH]c2n1 ZINC001242363225 983655130 /nfs/dbraw/zinc/65/51/30/983655130.db2.gz YBCDUHGCMJRBQW-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Nc1cncc(-c2ccc(S)cc2)c1 ZINC001242498931 983821062 /nfs/dbraw/zinc/82/10/62/983821062.db2.gz IVUJLQODEZILCX-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN Oc1cccc(-c2ccc3[nH]nnc3c2)c1Cl ZINC001242800958 984170057 /nfs/dbraw/zinc/17/00/57/984170057.db2.gz VEMWIRWNERONFB-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Oc1cccc(-c2ccc3nn[nH]c3c2)c1Cl ZINC001242800958 984170061 /nfs/dbraw/zinc/17/00/61/984170061.db2.gz VEMWIRWNERONFB-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Nc1cccnc1-c1cccc(S)c1 ZINC001242865596 984210739 /nfs/dbraw/zinc/21/07/39/984210739.db2.gz JGWBFZQRSATPPC-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(C)c(C(=O)[O-])c1 ZINC001243195701 984685576 /nfs/dbraw/zinc/68/55/76/984685576.db2.gz UMAZGOLQXTXBFY-DDEWIXKASA-N 0 2 217.268 2.569 20 0 BFADLN Cc1cnc(-c2cc(F)cc(F)c2O)c(C)n1 ZINC001243499258 985052296 /nfs/dbraw/zinc/05/22/96/985052296.db2.gz DZKUMENJHFBQHC-UHFFFAOYSA-N 0 2 236.221 2.744 20 0 BFADLN CCn1cc(-c2ccccc2S)ccc1=O ZINC001243837863 985448109 /nfs/dbraw/zinc/44/81/09/985448109.db2.gz RDXGNWHSGCQRCD-UHFFFAOYSA-N 0 2 231.320 2.824 20 0 BFADLN O=C([O-])c1ccc(N2CCC[C@@H]2C2CCC2)[nH+]c1 ZINC000688228121 985588326 /nfs/dbraw/zinc/58/83/26/985588326.db2.gz QDXOGBWEUWOHIC-GFCCVEGCSA-N 0 2 246.310 2.549 20 0 BFADLN [O-]c1cc(Cl)ccc1-c1nc2[nH]ccc2c[nH+]1 ZINC001244466536 986133059 /nfs/dbraw/zinc/13/30/59/986133059.db2.gz PPGYUSLYLXSBTQ-UHFFFAOYSA-N 0 2 245.669 2.936 20 0 BFADLN Oc1cc(Cl)ccc1-c1cncc2nc[nH]c21 ZINC001244469264 986147417 /nfs/dbraw/zinc/14/74/17/986147417.db2.gz DOCRYOPVPSEECZ-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Cc1cncc(-c2cc(F)c(O)c(Cl)c2)n1 ZINC001244499991 986204451 /nfs/dbraw/zinc/20/44/51/986204451.db2.gz HRGUNAUOIVOQPS-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Oc1c(Cl)ccc(-c2cccnn2)c1F ZINC001244631307 986292079 /nfs/dbraw/zinc/29/20/79/986292079.db2.gz RNBWWZBJLWXSRK-UHFFFAOYSA-N 0 2 224.622 2.642 20 0 BFADLN Cc1cncnc1-c1ccc(Cl)c(O)c1F ZINC001244631743 986293223 /nfs/dbraw/zinc/29/32/23/986293223.db2.gz ZFFXTGGKMCQUPP-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1cnnc(-c2ccc(Cl)c(O)c2F)c1 ZINC001244631371 986294565 /nfs/dbraw/zinc/29/45/65/986294565.db2.gz STGDPQGACWBQNF-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CC(C)Cc1nsc(NC/C=C/C2CC2)n1 ZINC000378797107 986619437 /nfs/dbraw/zinc/61/94/37/986619437.db2.gz RACHDUUKCVCPRI-ONEGZZNKSA-N 0 2 237.372 2.537 20 0 BFADLN CC(C)CNC(=S)Nc1ccc(S)cc1 ZINC001245241247 986761469 /nfs/dbraw/zinc/76/14/69/986761469.db2.gz KOOPHKGRGZYBSM-UHFFFAOYSA-N 0 2 240.397 2.918 20 0 BFADLN Nc1[nH+]cccc1-c1ccc(C(=O)[O-])cc1Cl ZINC001245371982 986827183 /nfs/dbraw/zinc/82/71/83/986827183.db2.gz LVSKNQLWFLONOX-UHFFFAOYSA-N 0 2 248.669 2.682 20 0 BFADLN CCCn1[nH]c(-c2ccc(OC)cc2)cc1=O ZINC001245920467 987161210 /nfs/dbraw/zinc/16/12/10/987161210.db2.gz RAQLWSQELWWDQN-UHFFFAOYSA-N 0 2 232.283 2.674 20 0 BFADLN COc1cccc(C2=NN(C3CCC3)C(=O)C2)c1 ZINC001245919680 987162529 /nfs/dbraw/zinc/16/25/29/987162529.db2.gz UOJJAEPZULUFNA-UHFFFAOYSA-N 0 2 244.294 2.989 20 0 BFADLN COc1cccc(-c2cc(=O)n(C3CCC3)[nH]2)c1 ZINC001245919680 987162540 /nfs/dbraw/zinc/16/25/40/987162540.db2.gz UOJJAEPZULUFNA-UHFFFAOYSA-N 0 2 244.294 2.989 20 0 BFADLN CC1=NN(C[C@@H](C)c2ccccc2)C(=O)C1 ZINC001245928022 987184794 /nfs/dbraw/zinc/18/47/94/987184794.db2.gz IGLWGHCWMOUZFO-SNVBAGLBSA-N 0 2 216.284 2.701 20 0 BFADLN CC(C)(C)n1[nH]c(-c2ccc(O)cc2)cc1=O ZINC001245940852 987214975 /nfs/dbraw/zinc/21/49/75/987214975.db2.gz DMAYVMFUYWMLOI-UHFFFAOYSA-N 0 2 232.283 2.716 20 0 BFADLN CC[C@@H](C)n1[nH]c(-c2cccc(N)c2)cc1=O ZINC001245947736 987224155 /nfs/dbraw/zinc/22/41/55/987224155.db2.gz ASLJKIIBKBFQMN-SECBINFHSA-N 0 2 231.299 2.809 20 0 BFADLN CC(C)(C)n1[nH]c(-c2cccc(N)c2)cc1=O ZINC001245949240 987226150 /nfs/dbraw/zinc/22/61/50/987226150.db2.gz RJAWVWNGSXVVMT-UHFFFAOYSA-N 0 2 231.299 2.593 20 0 BFADLN Cc1ccccc1C1(C(=O)NOC2CCC2)CC1 ZINC001324038843 988675956 /nfs/dbraw/zinc/67/59/56/988675956.db2.gz BWROFHMPOVOECJ-UHFFFAOYSA-N 0 2 245.322 2.627 20 0 BFADLN CC(C)([NH2+]Cc1ccc(C(=O)[O-])cc1)C(F)F ZINC001590871246 990776063 /nfs/dbraw/zinc/77/60/63/990776063.db2.gz JJTRLGYNQKTINV-UHFFFAOYSA-N 0 2 243.253 2.518 20 0 BFADLN Cc1ccc(-c2nc(=O)c3sccc3[nH]2)o1 ZINC000048606366 178337944 /nfs/dbraw/zinc/33/79/44/178337944.db2.gz JWBOJNQHKYHJMG-UHFFFAOYSA-N 0 2 232.264 2.553 20 0 BFADLN O=C([O-])c1ccc(NCC2(C3CC3)CCC2)[nH+]c1 ZINC000391509020 398276613 /nfs/dbraw/zinc/27/66/13/398276613.db2.gz LUZPVQIGNJCRIZ-UHFFFAOYSA-N 0 2 246.310 2.772 20 0 BFADLN CCC(CC)[C@@H](C)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000341684659 168398721 /nfs/dbraw/zinc/39/87/21/168398721.db2.gz CJZPYOJGTFNRKK-SNVBAGLBSA-N 0 2 249.358 2.526 20 0 BFADLN CCCCN1N=C(c2cccs2)[C@H](C)C1=O ZINC000634585309 342928303 /nfs/dbraw/zinc/92/83/03/342928303.db2.gz CALMRQNECUFXPG-VIFPVBQESA-N 0 2 236.340 2.731 20 0 BFADLN C[C@H]1CC[C@H]2C(=O)N(c3ccccc3F)N=C21 ZINC000634587213 342930908 /nfs/dbraw/zinc/93/09/08/342930908.db2.gz HYLOUZVOFNWPJT-DTWKUNHWSA-N 0 2 232.258 2.574 20 0 BFADLN CC1(c2cc(=O)n(-c3ccc(Cl)cn3)[nH]2)CC1 ZINC000634593076 342950374 /nfs/dbraw/zinc/95/03/74/342950374.db2.gz FECUYISEYMHDSI-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN CCc1ccc(N2N=C3[C@@H](C)CC[C@@H]3C2=O)cc1 ZINC000634594510 342952848 /nfs/dbraw/zinc/95/28/48/342952848.db2.gz YIARTVIUPFUYJC-GWCFXTLKSA-N 0 2 242.322 2.998 20 0 BFADLN CC1=NN(c2cccc(Cl)c2F)C(=O)[C@@H]1C ZINC000634594943 342956304 /nfs/dbraw/zinc/95/63/04/342956304.db2.gz LMPRMWMMCDZHES-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN CCCCC1=NN(c2cc(C)ccn2)C(=O)C1 ZINC000634600698 342993597 /nfs/dbraw/zinc/99/35/97/342993597.db2.gz PPQAXBKMSCIIOW-UHFFFAOYSA-N 0 2 231.299 2.673 20 0 BFADLN CCCCc1cc(=O)n(-c2cc(C)ccn2)[nH]1 ZINC000634600698 342993600 /nfs/dbraw/zinc/99/36/00/342993600.db2.gz PPQAXBKMSCIIOW-UHFFFAOYSA-N 0 2 231.299 2.673 20 0 BFADLN CCCCC1=NN(c2ccc(C)cn2)C(=O)C1 ZINC000634598819 342982233 /nfs/dbraw/zinc/98/22/33/342982233.db2.gz STYLBHRMBGDDOP-UHFFFAOYSA-N 0 2 231.299 2.673 20 0 BFADLN CCCCc1cc(=O)n(-c2ccc(C)cn2)[nH]1 ZINC000634598819 342982235 /nfs/dbraw/zinc/98/22/35/342982235.db2.gz STYLBHRMBGDDOP-UHFFFAOYSA-N 0 2 231.299 2.673 20 0 BFADLN C[C@@H](c1ccccc1)n1[nH]c2c(c1=O)CCC2 ZINC000634599759 342989003 /nfs/dbraw/zinc/98/90/03/342989003.db2.gz PMUYPQCBNPLGDW-JQWIXIFHSA-N 0 2 228.295 2.746 20 0 BFADLN O=C1CC(c2ccoc2)=NN1C1CCCCCC1 ZINC000634602954 342998099 /nfs/dbraw/zinc/99/80/99/342998099.db2.gz KTXSGLPZFCJGGG-UHFFFAOYSA-N 0 2 246.310 2.939 20 0 BFADLN O=c1cc(-c2ccoc2)[nH]n1C1CCCCCC1 ZINC000634602954 342998101 /nfs/dbraw/zinc/99/81/01/342998101.db2.gz KTXSGLPZFCJGGG-UHFFFAOYSA-N 0 2 246.310 2.939 20 0 BFADLN CCCCC1=NN(c2ccncc2C)C(=O)[C@H]1C ZINC000634606595 343002154 /nfs/dbraw/zinc/00/21/54/343002154.db2.gz WUGOEVBSFLYCIG-NSHDSACASA-N 0 2 245.326 2.919 20 0 BFADLN CC1=NN(c2cc(F)cc(Cl)c2)C(=O)[C@@H]1C ZINC000634607175 343005024 /nfs/dbraw/zinc/00/50/24/343005024.db2.gz OQYCYKASCONAGX-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN CC1=NN(c2cccc(F)c2Cl)C(=O)[C@@H]1C ZINC000634611035 343007852 /nfs/dbraw/zinc/00/78/52/343007852.db2.gz MBFHVGZVWYFXEB-ZCFIWIBFSA-N 0 2 240.665 2.838 20 0 BFADLN Cc1ccc(F)c(N2N=C3[C@H](C)CC[C@H]3C2=O)c1 ZINC000634611567 343008450 /nfs/dbraw/zinc/00/84/50/343008450.db2.gz YAYOFVLUDFQCCR-NXEZZACHSA-N 0 2 246.285 2.883 20 0 BFADLN Cc1ccc(F)cc1N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000634615721 343013906 /nfs/dbraw/zinc/01/39/06/343013906.db2.gz PIVWESHGLACGBX-KOLCDFICSA-N 0 2 246.285 2.883 20 0 BFADLN CCCCCn1[nH]c2c(c1=O)CCCCC2 ZINC000634618820 343017616 /nfs/dbraw/zinc/01/76/16/343017616.db2.gz FFDZLFPSHTZURL-NSHDSACASA-N 0 2 222.332 2.955 20 0 BFADLN CCCC1=NN([C@@H](C)c2ccncc2)C(=O)C1 ZINC000634626651 343028577 /nfs/dbraw/zinc/02/85/77/343028577.db2.gz IZWYEIXDZKTFLD-JTQLQIEISA-N 0 2 231.299 2.531 20 0 BFADLN CCC1=NN(c2cc(F)ccc2C)C(=O)[C@@H]1C ZINC000634616058 343012802 /nfs/dbraw/zinc/01/28/02/343012802.db2.gz ZHGSLKCPGCFVGT-SECBINFHSA-N 0 2 234.274 2.883 20 0 BFADLN CCCC1=NN([C@@H]2CCCC2(C)C)C(=O)C1 ZINC000634625455 343029485 /nfs/dbraw/zinc/02/94/85/343029485.db2.gz HAKXMYKFZSUZIX-LLVKDONJSA-N 0 2 222.332 2.954 20 0 BFADLN CC(C)[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000351103841 136368077 /nfs/dbraw/zinc/36/80/77/136368077.db2.gz RTUOUZDSIXRWKY-CQSZACIVSA-N 0 2 237.318 2.683 20 0 BFADLN CN(C[C@H]1CC=CCC1)c1cccc(C(=O)[O-])[nH+]1 ZINC000402858060 529962973 /nfs/dbraw/zinc/96/29/73/529962973.db2.gz YQMADMPARVECKQ-NSHDSACASA-N 0 2 246.310 2.572 20 0 BFADLN C1CC1c1nsc(N[C@@H]2CCCC23CC3)n1 ZINC000631418960 344203385 /nfs/dbraw/zinc/20/33/85/344203385.db2.gz PASPDRIUOLHMPQ-SECBINFHSA-N 0 2 235.356 2.582 20 0 BFADLN Cc1n[nH]c(=NCC[C@@H]2CCCC[C@H]2C)s1 ZINC000381437191 344507075 /nfs/dbraw/zinc/50/70/75/344507075.db2.gz DBQYGXTZBPMPIG-KOLCDFICSA-N 0 2 239.388 2.897 20 0 BFADLN O=C([O-])c1cccc(N[C@H]2CCCC23CC3)[nH+]1 ZINC000634964319 345134023 /nfs/dbraw/zinc/13/40/23/345134023.db2.gz UDBHWHCECVDJRQ-JTQLQIEISA-N 0 2 232.283 2.524 20 0 BFADLN CCC1=NN([C@H](C)c2ccccc2)C(=O)C1 ZINC000390055518 345202050 /nfs/dbraw/zinc/20/20/50/345202050.db2.gz MUUYFMZVZQWYRS-SNVBAGLBSA-N 0 2 216.284 2.746 20 0 BFADLN C[C@@H](Sc1n[nH]c(=O)[nH]1)c1ccc(F)cc1 ZINC000187648935 346593978 /nfs/dbraw/zinc/59/39/78/346593978.db2.gz PFYMGRFSEJELGQ-ZCFIWIBFSA-N 0 2 239.275 2.503 20 0 BFADLN Cc1ccoc1C[N@H+](C)CCc1cc[nH+]cc1C ZINC000577367691 365935114 /nfs/dbraw/zinc/93/51/14/365935114.db2.gz DINKLDHWFPTQLV-UHFFFAOYSA-N 0 2 244.338 2.966 20 0 BFADLN Cc1n[nH]c(NC(=O)CCCCC(C)(C)C)n1 ZINC000286301014 180006779 /nfs/dbraw/zinc/00/67/79/180006779.db2.gz YJVBOBYIFAOVJE-UHFFFAOYSA-N 0 2 238.335 2.658 20 0 BFADLN O=C([O-])c1c(-c2ccccc2)[nH+]c2n1CCCC2 ZINC000049830935 188125441 /nfs/dbraw/zinc/12/54/41/188125441.db2.gz XXDKQKKWESMPNE-UHFFFAOYSA-N 0 2 242.278 2.585 20 0 BFADLN CC(C)C[C@@H](C)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051042670 188155491 /nfs/dbraw/zinc/15/54/91/188155491.db2.gz YMOGJIWOVMZDGH-SECBINFHSA-N 0 2 222.288 2.626 20 0 BFADLN CC(C)[C@H](C)CN=c1[nH]nc(C2CC2)s1 ZINC000336761918 188184269 /nfs/dbraw/zinc/18/42/69/188184269.db2.gz NUYBHUBMDSCIMD-MRVPVSSYSA-N 0 2 225.361 2.541 20 0 BFADLN CC1(C)CC[C@@H]1N=c1nc(-c2ccccc2)o[nH]1 ZINC000343785682 353991339 /nfs/dbraw/zinc/99/13/39/353991339.db2.gz FXLMSVLQFUVNST-NSHDSACASA-N 0 2 243.310 2.759 20 0 BFADLN CCn1c[nH+]cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000334598072 354232784 /nfs/dbraw/zinc/23/27/84/354232784.db2.gz UPDOALJTTYBOBQ-GXTWGEPZSA-N 0 2 233.359 2.668 20 0 BFADLN CC[C@]1(C(C)C)C[C@@H]1Nc1nc(C)ns1 ZINC000413371742 191376866 /nfs/dbraw/zinc/37/68/66/191376866.db2.gz GUUNRMSQFJBIPL-GXSJLCMTSA-N 0 2 225.361 2.505 20 0 BFADLN CC[C@]1(C(C)C)C[C@@H]1N=c1nc(C)[nH]s1 ZINC000413371742 191376869 /nfs/dbraw/zinc/37/68/69/191376869.db2.gz GUUNRMSQFJBIPL-GXSJLCMTSA-N 0 2 225.361 2.505 20 0 BFADLN CCc1nsc(NC/C=C\c2ccccc2)n1 ZINC000349915461 355525746 /nfs/dbraw/zinc/52/57/46/355525746.db2.gz MLKMEKGZQZGYBH-TWGQIWQCSA-N 0 2 245.351 2.648 20 0 BFADLN O=c1nc(-c2ccc(F)cn2)[nH]c2ccsc21 ZINC000352198269 134100344 /nfs/dbraw/zinc/10/03/44/134100344.db2.gz JVMPFHFWBQVSPD-UHFFFAOYSA-N 0 2 247.254 2.598 20 0 BFADLN CC[C@H](C)CN=c1[nH]nc(C(C)C)s1 ZINC000420649835 192255388 /nfs/dbraw/zinc/25/53/88/192255388.db2.gz GVVFHTOGONRHED-QMMMGPOBSA-N 0 2 213.350 2.541 20 0 BFADLN CCCC[C@@H]1CCC[C@H]1N=c1[nH]ncs1 ZINC000450309986 202124858 /nfs/dbraw/zinc/12/48/58/202124858.db2.gz VXHNTJBZYXXCGK-NXEZZACHSA-N 0 2 225.361 2.731 20 0 BFADLN Cc1cc(C)cc(C[C@@H](C)N=c2[nH]ncs2)c1 ZINC000450355142 202141299 /nfs/dbraw/zinc/14/12/99/202141299.db2.gz BHSTYUIMCLPGNY-LLVKDONJSA-N 0 2 247.367 2.620 20 0 BFADLN CCc1nsc(N[C@@H](CC)C(C)(C)C)n1 ZINC000389999405 357081318 /nfs/dbraw/zinc/08/13/18/357081318.db2.gz RSKJWKJBOHIZNM-QMMMGPOBSA-N 0 2 227.377 2.759 20 0 BFADLN CCC[C@@H](C)CCCSc1n[n-]c(=[NH2+])n1C ZINC000629125450 360894003 /nfs/dbraw/zinc/89/40/03/360894003.db2.gz YEIVTDIWTWSZMJ-SECBINFHSA-N 0 2 242.392 2.536 20 0 BFADLN O=c1c2c([nH]n1CC1CCCC1)CCCCC2 ZINC000614190079 363750108 /nfs/dbraw/zinc/75/01/08/363750108.db2.gz ROKQLOJXBUFKJZ-LBPRGKRZSA-N 0 2 234.343 2.955 20 0 BFADLN O=c1c2c([nH]n1CC1CCCC1)CCCCC2 ZINC000614190078 363750169 /nfs/dbraw/zinc/75/01/69/363750169.db2.gz ROKQLOJXBUFKJZ-GFCCVEGCSA-N 0 2 234.343 2.955 20 0 BFADLN C[C@@H](N=c1[nH]ncs1)[C@H]1CC2CCC1CC2 ZINC000382137344 367489362 /nfs/dbraw/zinc/48/93/62/367489362.db2.gz NGJCAVRDGLVXIJ-AGVGLQIMSA-N 0 2 237.372 2.587 20 0 BFADLN Cc1occc1CN=c1nc(C2(C)CC2)[nH]s1 ZINC000630956195 368149676 /nfs/dbraw/zinc/14/96/76/368149676.db2.gz LHAIRJDAXQBEIU-UHFFFAOYSA-N 0 2 249.339 2.525 20 0 BFADLN O=C(NCCC1=CCCC1)[C@@H](F)C(F)(F)F ZINC000278472497 182151476 /nfs/dbraw/zinc/15/14/76/182151476.db2.gz WYWJAXUNKLWZMN-MRVPVSSYSA-N 0 2 239.212 2.503 20 0 BFADLN O=C(NCCC1=CCCC1)C(F)C(F)(F)F ZINC000278472497 182151481 /nfs/dbraw/zinc/15/14/81/182151481.db2.gz WYWJAXUNKLWZMN-MRVPVSSYSA-N 0 2 239.212 2.503 20 0 BFADLN CCCc1ccc(CSc2n[nH]c(=O)[nH]2)cc1 ZINC000194633696 206101979 /nfs/dbraw/zinc/10/19/79/206101979.db2.gz IKAKOVDRBPTERX-UHFFFAOYSA-N 0 2 249.339 2.755 20 0 BFADLN CCCN(CC)C(=O)c1cc(F)c(O)c(F)c1 ZINC000273927511 169117800 /nfs/dbraw/zinc/11/78/00/169117800.db2.gz HFMBVVZLNXQXEU-UHFFFAOYSA-N 0 2 243.253 2.543 20 0 BFADLN CCCN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000303178941 169203739 /nfs/dbraw/zinc/20/37/39/169203739.db2.gz COYAIXZFUXAJMA-UHFFFAOYSA-N 0 2 246.398 2.993 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@H]2CC[C@H](C)C2)s1 ZINC000336679487 385071909 /nfs/dbraw/zinc/07/19/09/385071909.db2.gz AKMNEPNPPQMZBW-UWVGGRQHSA-N 0 2 239.388 2.932 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@@H]2CC[C@H](C)C2)s1 ZINC000336679489 385074946 /nfs/dbraw/zinc/07/49/46/385074946.db2.gz AKMNEPNPPQMZBW-VHSXEESVSA-N 0 2 239.388 2.932 20 0 BFADLN CC(C)[C@@H]1CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000647453438 385040562 /nfs/dbraw/zinc/04/05/62/385040562.db2.gz HDEFUCVRJMMGGG-LLVKDONJSA-N 0 2 248.326 2.652 20 0 BFADLN CC(C)[C@@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647453638 385041572 /nfs/dbraw/zinc/04/15/72/385041572.db2.gz ONTRYXKJRBQGNB-GFCCVEGCSA-N 0 2 248.326 2.652 20 0 BFADLN CCC[C@@](C)(CC)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000361699187 385203533 /nfs/dbraw/zinc/20/35/33/385203533.db2.gz AACVKSZRFHVVDE-CQSZACIVSA-N 0 2 249.358 2.670 20 0 BFADLN Cc1ccc(C)c([N@H+](C)CCCCC(=O)[O-])c1 ZINC000181548761 385583113 /nfs/dbraw/zinc/58/31/13/385583113.db2.gz UKFXXCMGIDDICY-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN Cc1ccc(C)c([N@@H+](C)CCCCC(=O)[O-])c1 ZINC000181548761 385583116 /nfs/dbraw/zinc/58/31/16/385583116.db2.gz UKFXXCMGIDDICY-UHFFFAOYSA-N 0 2 235.327 2.995 20 0 BFADLN CC[C@@H](C)CCC(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000342252788 385954239 /nfs/dbraw/zinc/95/42/39/385954239.db2.gz IXKUZSRZXVSPAJ-SNVBAGLBSA-N 0 2 247.342 2.541 20 0 BFADLN CC(C)C(C)(C)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000275886784 386249566 /nfs/dbraw/zinc/24/95/66/386249566.db2.gz QTFZUQGPBYZXTO-UHFFFAOYSA-N 0 2 246.314 2.579 20 0 BFADLN CC(C)c1n[nH]c(=NC[C@@H](C)CC(F)F)s1 ZINC000645305577 386195776 /nfs/dbraw/zinc/19/57/76/386195776.db2.gz YWLGFMQNCPUIIL-ZETCQYMHSA-N 0 2 249.330 2.787 20 0 BFADLN O=C([O-])c1cccc(N[C@@H]2CCC23CCCC3)[nH+]1 ZINC000416414665 386298448 /nfs/dbraw/zinc/29/84/48/386298448.db2.gz GJYJFMGSVKQRDE-LLVKDONJSA-N 0 2 246.310 2.915 20 0 BFADLN CCCC[C@H](CCC)Sc1n[n-]c(=[NH2+])n1C ZINC000519544919 386480818 /nfs/dbraw/zinc/48/08/18/386480818.db2.gz GJACNNJUIGONIB-VIFPVBQESA-N 0 2 242.392 2.679 20 0 BFADLN C[C@H](C(=O)Nc1ccc2nn[nH]c2c1)C(C)(C)C ZINC000268415064 386650764 /nfs/dbraw/zinc/65/07/64/386650764.db2.gz JFZCOZLLAATVFW-MRVPVSSYSA-N 0 2 246.314 2.579 20 0 BFADLN Cc1c[nH]nc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000352796876 387486799 /nfs/dbraw/zinc/48/67/99/387486799.db2.gz LAJRJLOXLKWDEM-UHFFFAOYSA-N 0 2 245.301 2.636 20 0 BFADLN c1n[nH]c(=NCC(C2CCC2)C2CCC2)s1 ZINC000528073646 387842943 /nfs/dbraw/zinc/84/29/43/387842943.db2.gz GEOBREDIEJCGAN-UHFFFAOYSA-N 0 2 237.372 2.588 20 0 BFADLN CCCC[C@@H](CC)CSc1n[nH]c(=O)[nH]1 ZINC000446066977 387993444 /nfs/dbraw/zinc/99/34/44/387993444.db2.gz NQNCVCAMZTWFHT-MRVPVSSYSA-N 0 2 229.349 2.819 20 0 BFADLN C[C@@H]1C[C@H](C)CCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263531748 135358037 /nfs/dbraw/zinc/35/80/37/135358037.db2.gz WXBVWCSNCMEVGG-GHMZBOCLSA-N 0 2 248.326 2.652 20 0 BFADLN Fc1ccc(SCn2cccn2)cc1 ZINC000334354226 135370546 /nfs/dbraw/zinc/37/05/46/135370546.db2.gz ZCJQEIZTGJJIHO-UHFFFAOYSA-N 0 2 208.261 2.772 20 0 BFADLN CCC[C@@H](C)NC(=O)c1c(O)cc(F)cc1F ZINC000049446262 409925853 /nfs/dbraw/zinc/92/58/53/409925853.db2.gz FIUXEKWBODJCQP-SSDOTTSWSA-N 0 2 243.253 2.589 20 0 BFADLN CC(C)Oc1ccc([NH2+][C@H](C)CC(=O)[O-])cc1 ZINC000035748745 167297551 /nfs/dbraw/zinc/29/75/51/167297551.db2.gz BTIPFBFCDQAJFL-SNVBAGLBSA-N 0 2 237.299 2.749 20 0 BFADLN CC(C)[C@@H](C)CC(=O)Nc1ccc2nn[nH]c2c1 ZINC000175825985 167357520 /nfs/dbraw/zinc/35/75/20/167357520.db2.gz NCFMRPDTRGKDQI-VIFPVBQESA-N 0 2 246.314 2.579 20 0 BFADLN CCCc1nsc(NC2CC3(CCC3)C2)n1 ZINC000651473598 411055564 /nfs/dbraw/zinc/05/55/64/411055564.db2.gz VDCGHXODPSNDKU-UHFFFAOYSA-N 0 2 237.372 2.657 20 0 BFADLN CCC1=NN(c2ccc(F)cc2)C(=O)[C@H]1C ZINC000110454726 411098408 /nfs/dbraw/zinc/09/84/08/411098408.db2.gz MMXVRIKBYREDHJ-QMMMGPOBSA-N 0 2 220.247 2.574 20 0 BFADLN CCC[C@@H](CC)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000050406300 411261794 /nfs/dbraw/zinc/26/17/94/411261794.db2.gz PNHOUYYJUMKXDL-SNVBAGLBSA-N 0 2 222.288 2.770 20 0 BFADLN CC1CC([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C1 ZINC000330270770 168147387 /nfs/dbraw/zinc/14/73/87/168147387.db2.gz UUKZZRXUBNGPBI-KGPNIALWSA-N 0 2 248.374 2.814 20 0 BFADLN CC[C@H](C)[C@H](C)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051043684 171391214 /nfs/dbraw/zinc/39/12/14/171391214.db2.gz GIHSXCLXFJLXAR-IUCAKERBSA-N 0 2 222.288 2.626 20 0 BFADLN C[C@H]1CCC[C@H](Nc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051042658 177138439 /nfs/dbraw/zinc/13/84/39/177138439.db2.gz QRKMSEQHWLTJHB-UWVGGRQHSA-N 0 2 234.299 2.770 20 0 BFADLN C[C@@H]1C[C@@H]1CNc1nc(-c2ccccc2)ns1 ZINC000475355576 225134383 /nfs/dbraw/zinc/13/43/83/225134383.db2.gz PRGAXGXLAKSDLY-MWLCHTKSSA-N 0 2 245.351 2.695 20 0 BFADLN CCC[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000680814851 487650032 /nfs/dbraw/zinc/65/00/32/487650032.db2.gz HQLSCBZBSIFNJY-ZETCQYMHSA-N 0 2 243.253 2.589 20 0 BFADLN CC1(C)CCCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000087658538 487676090 /nfs/dbraw/zinc/67/60/90/487676090.db2.gz DZNWJIJGIQQSHM-UHFFFAOYSA-N 0 2 248.326 2.796 20 0 BFADLN CC[C@@H]1CC[C@H](C)N1c1ccc(C(=O)[O-])c[nH+]1 ZINC000136210229 487717986 /nfs/dbraw/zinc/71/79/86/487717986.db2.gz XESWIBVYOYEHGS-GXSJLCMTSA-N 0 2 234.299 2.547 20 0 BFADLN CC[C@H]1CC[C@H](C)N1c1ccc(C(=O)[O-])c[nH+]1 ZINC000136210269 487717912 /nfs/dbraw/zinc/71/79/12/487717912.db2.gz XESWIBVYOYEHGS-ONGXEEELSA-N 0 2 234.299 2.547 20 0 BFADLN CC(C)C[C@@H]1C[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000385368967 487811078 /nfs/dbraw/zinc/81/10/78/487811078.db2.gz KHCDEMSCDGLKTI-GHMZBOCLSA-N 0 2 234.299 2.626 20 0 BFADLN O=C([O-])c1cccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000403812333 323033275 /nfs/dbraw/zinc/03/32/75/323033275.db2.gz MRJXEDGNNUDRHG-OUAUKWLOSA-N 0 2 246.310 2.628 20 0 BFADLN CC(C)Cc1ccccc1CN=c1[nH]ncs1 ZINC000528069422 323757444 /nfs/dbraw/zinc/75/74/44/323757444.db2.gz WAHGPOZKNGHZRU-UHFFFAOYSA-N 0 2 247.367 2.771 20 0 BFADLN CC[C@@H](CCc1ccccc1)N=c1[nH]ncs1 ZINC000528126530 323770278 /nfs/dbraw/zinc/77/02/78/323770278.db2.gz OARPRGMVVXOYDU-LBPRGKRZSA-N 0 2 247.367 2.783 20 0 BFADLN CC[C@@H]1CCC[C@H]1N=c1nc(C(C)(C)C)o[nH]1 ZINC000544700747 325155950 /nfs/dbraw/zinc/15/59/50/325155950.db2.gz FIDUYLLVJCLXAI-NXEZZACHSA-N 0 2 237.347 2.780 20 0 BFADLN C[C@H](CC(F)(F)F)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000235476165 487969337 /nfs/dbraw/zinc/96/93/37/487969337.db2.gz FRMQWUSAFNIZKR-ZCFIWIBFSA-N 0 2 248.204 2.533 20 0 BFADLN Cc1n[nH]c(=N[C@@H]2C[C@H]2c2ccc(C)cc2)s1 ZINC000564795551 325810022 /nfs/dbraw/zinc/81/00/22/325810022.db2.gz NGIFYVPCHVRGOL-NWDGAFQWSA-N 0 2 245.351 2.545 20 0 BFADLN CCC[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667673739 488082964 /nfs/dbraw/zinc/08/29/64/488082964.db2.gz LFPBSBHJFFJBLL-ZDUSSCGKSA-N 0 2 235.375 2.741 20 0 BFADLN CC[C@@H]1CC[C@@H](C)N(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000381112936 487497490 /nfs/dbraw/zinc/49/74/90/487497490.db2.gz VBJGQOAMYCJHKH-GHMZBOCLSA-N 0 2 248.326 2.795 20 0 BFADLN O=c1[nH]nc(SCCC2CCCCC2)[nH]1 ZINC000683620103 488203503 /nfs/dbraw/zinc/20/35/03/488203503.db2.gz LVQQEPLCUHSYBV-UHFFFAOYSA-N 0 2 227.333 2.573 20 0 BFADLN CCC(C)(C)[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC000855368792 588829721 /nfs/dbraw/zinc/82/97/21/588829721.db2.gz VGCHVSDOIWQICK-RNFRBKRXSA-N 0 2 243.244 2.828 20 0 BFADLN CCC(C)(C)[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000855368792 588829722 /nfs/dbraw/zinc/82/97/22/588829722.db2.gz VGCHVSDOIWQICK-RNFRBKRXSA-N 0 2 243.244 2.828 20 0 BFADLN Cc1[nH]nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000893872678 583237482 /nfs/dbraw/zinc/23/74/82/583237482.db2.gz XWHFJDINWOAABK-NXEZZACHSA-N 0 2 221.348 2.504 20 0 BFADLN FC[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895544435 583689330 /nfs/dbraw/zinc/68/93/30/583689330.db2.gz MMMUBOXGKNUCLW-LBPRGKRZSA-N 0 2 247.317 2.516 20 0 BFADLN O=c1nc(SC2CCCC2)cc(Cl)[nH]1 ZINC000858311680 588943859 /nfs/dbraw/zinc/94/38/59/588943859.db2.gz MCKMUGCKZIAAIA-UHFFFAOYSA-N 0 2 230.720 2.870 20 0 BFADLN C[C@@H]1CC=CC[C@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000900988486 584372910 /nfs/dbraw/zinc/37/29/10/584372910.db2.gz XVRPAZZXCFMUBC-MWLCHTKSSA-N 0 2 232.283 2.546 20 0 BFADLN COc1cc(C)ccc1[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902188831 584535720 /nfs/dbraw/zinc/53/57/20/584535720.db2.gz FTPOPJAIKNTUJI-VWYCJHECSA-N 0 2 249.310 2.525 20 0 BFADLN CC(C)CON=c1nc(C(C)C)[nH]s1 ZINC000788077594 585006407 /nfs/dbraw/zinc/00/64/07/585006407.db2.gz YAEAHQPWZXWZOM-UHFFFAOYSA-N 0 2 215.322 2.661 20 0 BFADLN CN(C(=O)[C@@H](F)C(F)(F)F)C1CC(C)(C)C1 ZINC000838145374 585047147 /nfs/dbraw/zinc/04/71/47/585047147.db2.gz AOWMHJIGMPELHL-SSDOTTSWSA-N 0 2 241.228 2.534 20 0 BFADLN CN(C(=O)C(F)C(F)(F)F)C1CC(C)(C)C1 ZINC000838145374 585047148 /nfs/dbraw/zinc/04/71/48/585047148.db2.gz AOWMHJIGMPELHL-SSDOTTSWSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@]1(NC(=O)[C@@H](F)C(F)(F)F)CC=CCC1 ZINC000838318941 585053645 /nfs/dbraw/zinc/05/36/45/585053645.db2.gz XIOYYOFGCGIQMW-VXNVDRBHSA-N 0 2 239.212 2.502 20 0 BFADLN C[C@@]1(NC(=O)C(F)C(F)(F)F)CC=CCC1 ZINC000838318941 585053646 /nfs/dbraw/zinc/05/36/46/585053646.db2.gz XIOYYOFGCGIQMW-VXNVDRBHSA-N 0 2 239.212 2.502 20 0 BFADLN CC(C)N(C(=O)[C@@H](F)C(F)(F)F)C(C)C ZINC000788128175 585083864 /nfs/dbraw/zinc/08/38/64/585083864.db2.gz ULUPNBKBLHZGNK-SSDOTTSWSA-N 0 2 229.217 2.532 20 0 BFADLN CC(C)N(C(=O)C(F)C(F)(F)F)C(C)C ZINC000788128175 585083865 /nfs/dbraw/zinc/08/38/65/585083865.db2.gz ULUPNBKBLHZGNK-SSDOTTSWSA-N 0 2 229.217 2.532 20 0 BFADLN CC(C)CN(C(=O)[C@H](F)C(F)(F)F)C(C)C ZINC000788132095 585092161 /nfs/dbraw/zinc/09/21/61/585092161.db2.gz HQRRUSAQMKHLPU-QMMMGPOBSA-N 0 2 243.244 2.780 20 0 BFADLN CC(C)CN(C(=O)C(F)C(F)(F)F)C(C)C ZINC000788132095 585092162 /nfs/dbraw/zinc/09/21/62/585092162.db2.gz HQRRUSAQMKHLPU-QMMMGPOBSA-N 0 2 243.244 2.780 20 0 BFADLN O=C(OC1CCCC1)c1cc(F)c(O)c(F)c1 ZINC000759537092 585375108 /nfs/dbraw/zinc/37/51/08/585375108.db2.gz CAMBXOYGIXBMJO-UHFFFAOYSA-N 0 2 242.221 2.770 20 0 BFADLN CCC/C(C)=C\C(=O)Nc1ccc2nn[nH]c2c1 ZINC000760713589 585396116 /nfs/dbraw/zinc/39/61/16/585396116.db2.gz SCLYORPBJMMJTN-CLFYSBASSA-N 0 2 244.298 2.643 20 0 BFADLN CC[C@@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC000763897234 585456572 /nfs/dbraw/zinc/45/65/72/585456572.db2.gz XBAIDQRNKFXYEN-SFYZADRCSA-N 0 2 241.228 2.678 20 0 BFADLN CC[C@@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000763897234 585456573 /nfs/dbraw/zinc/45/65/73/585456573.db2.gz XBAIDQRNKFXYEN-SFYZADRCSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC000763921684 585457220 /nfs/dbraw/zinc/45/72/20/585457220.db2.gz VOPKXZGFEOCVKD-PRJMDXOYSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC000763921684 585457221 /nfs/dbraw/zinc/45/72/21/585457221.db2.gz VOPKXZGFEOCVKD-PRJMDXOYSA-N 0 2 241.228 2.582 20 0 BFADLN CCCCCCNC(=O)[C@@H](F)C(F)(F)F ZINC000764078698 585459321 /nfs/dbraw/zinc/45/93/21/585459321.db2.gz YEQPFWVFSBKSIT-SSDOTTSWSA-N 0 2 229.217 2.583 20 0 BFADLN CCCCCCNC(=O)C(F)C(F)(F)F ZINC000764078698 585459322 /nfs/dbraw/zinc/45/93/22/585459322.db2.gz YEQPFWVFSBKSIT-SSDOTTSWSA-N 0 2 229.217 2.583 20 0 BFADLN CC(C)CN(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC000764153932 585460870 /nfs/dbraw/zinc/46/08/70/585460870.db2.gz XMWQITGRPWAMHB-MRVPVSSYSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)CN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC000764153932 585460871 /nfs/dbraw/zinc/46/08/71/585460871.db2.gz XMWQITGRPWAMHB-MRVPVSSYSA-N 0 2 241.228 2.534 20 0 BFADLN CC1(CNC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC000764505241 585466948 /nfs/dbraw/zinc/46/69/48/585466948.db2.gz HAWNPJJXYHSXNF-ZETCQYMHSA-N 0 2 241.228 2.583 20 0 BFADLN CC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC000764505241 585466949 /nfs/dbraw/zinc/46/69/49/585466949.db2.gz HAWNPJJXYHSXNF-ZETCQYMHSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NOC1CCCCC1)[C@H]1CCCCS1 ZINC000777950088 585724213 /nfs/dbraw/zinc/72/42/13/585724213.db2.gz SGAHJLZQEZFVLS-LLVKDONJSA-N 0 2 243.372 2.653 20 0 BFADLN CCC1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC000788303489 585921116 /nfs/dbraw/zinc/92/11/16/585921116.db2.gz FUYOKJYXHFJSMN-SSDOTTSWSA-N 0 2 241.228 2.583 20 0 BFADLN CCC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC000788303489 585921117 /nfs/dbraw/zinc/92/11/17/585921117.db2.gz FUYOKJYXHFJSMN-SSDOTTSWSA-N 0 2 241.228 2.583 20 0 BFADLN CCS[C@H](C(=O)NOC[C@H](C)CC)C(C)C ZINC000794841068 586050269 /nfs/dbraw/zinc/05/02/69/586050269.db2.gz CJSMIOPHXUMPSM-MNOVXSKESA-N 0 2 247.404 2.858 20 0 BFADLN CC[C@@H](C)CONC(=O)[C@@H](C)c1ccc(C)o1 ZINC000794843575 586050535 /nfs/dbraw/zinc/05/05/35/586050535.db2.gz SCMHQCPCDCFAIG-KOLCDFICSA-N 0 2 239.315 2.785 20 0 BFADLN C[C@H]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000810369563 586538599 /nfs/dbraw/zinc/53/85/99/586538599.db2.gz TUDGNRORKYPQQV-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC000810369563 586538600 /nfs/dbraw/zinc/53/86/00/586538600.db2.gz TUDGNRORKYPQQV-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCCCCN1C(=O)[C@H](F)C(F)(F)F ZINC000810405309 586538890 /nfs/dbraw/zinc/53/88/90/586538890.db2.gz UYVZWFVUZIBMPK-SFYZADRCSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@@H]1CCCCCN1C(=O)C(F)C(F)(F)F ZINC000810405309 586538891 /nfs/dbraw/zinc/53/88/91/586538891.db2.gz UYVZWFVUZIBMPK-SFYZADRCSA-N 0 2 241.228 2.678 20 0 BFADLN CC(C)(C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC000810428005 586539028 /nfs/dbraw/zinc/53/90/28/586539028.db2.gz QABPXSRNDSYXCW-ZETCQYMHSA-N 0 2 243.244 2.829 20 0 BFADLN CC(C)(C)CCCNC(=O)C(F)C(F)(F)F ZINC000810428005 586539029 /nfs/dbraw/zinc/53/90/29/586539029.db2.gz QABPXSRNDSYXCW-ZETCQYMHSA-N 0 2 243.244 2.829 20 0 BFADLN C[C@H]1CN(C(=O)c2cccc(Cl)c2O)[C@H]1C ZINC000818466337 586892229 /nfs/dbraw/zinc/89/22/29/586892229.db2.gz KDAFOJGUSZKGSS-YUMQZZPRSA-N 0 2 239.702 2.526 20 0 BFADLN C[C@@H]1CN(C(=O)c2cccc(Cl)c2O)[C@H]1C ZINC000818466336 586892325 /nfs/dbraw/zinc/89/23/25/586892325.db2.gz KDAFOJGUSZKGSS-SFYZADRCSA-N 0 2 239.702 2.526 20 0 BFADLN O=C(NCCCCC1CC1)[C@@H](F)C(F)(F)F ZINC000825669685 587330432 /nfs/dbraw/zinc/33/04/32/587330432.db2.gz FMTYPPSHUYXODX-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN O=C(NCCCCC1CC1)C(F)C(F)(F)F ZINC000825669685 587330434 /nfs/dbraw/zinc/33/04/34/587330434.db2.gz FMTYPPSHUYXODX-MRVPVSSYSA-N 0 2 241.228 2.583 20 0 BFADLN COc1ccc([NH2+]CC(C)C)cc1NC(=O)[O-] ZINC000829479933 587499699 /nfs/dbraw/zinc/49/96/99/587499699.db2.gz QBHOOFDZVXHKCV-UHFFFAOYSA-N 0 2 238.287 2.853 20 0 BFADLN CCCONC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC000844082357 588162259 /nfs/dbraw/zinc/16/22/59/588162259.db2.gz BKQVXFSAAJFVFY-UHFFFAOYSA-N 0 2 247.338 2.793 20 0 BFADLN CN(C(=O)c1cccc(Cl)c1O)C(C)(C)C ZINC000844090761 588166777 /nfs/dbraw/zinc/16/67/77/588166777.db2.gz FLMIZZYEUMLIEG-UHFFFAOYSA-N 0 2 241.718 2.916 20 0 BFADLN CC(C)(C)SCCCSc1n[nH]c(=O)[nH]1 ZINC000865362808 589426310 /nfs/dbraw/zinc/42/63/10/589426310.db2.gz BHYYCVFPIDVZRZ-UHFFFAOYSA-N 0 2 247.389 2.524 20 0 BFADLN C[C@H](CC1CCC1)NC(=O)[C@H](F)C(F)(F)F ZINC000871091600 589722681 /nfs/dbraw/zinc/72/26/81/589722681.db2.gz ZQRWKKQZPKNMHG-SVRRBLITSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](CC1CCC1)NC(=O)C(F)C(F)(F)F ZINC000871091600 589722683 /nfs/dbraw/zinc/72/26/83/589722683.db2.gz ZQRWKKQZPKNMHG-SVRRBLITSA-N 0 2 241.228 2.582 20 0 BFADLN CC[C@@H](C)N1N=C(CCC(C)C)CC1=O ZINC000871958891 589844218 /nfs/dbraw/zinc/84/42/18/589844218.db2.gz HBBFQIOZUYKTBQ-SNVBAGLBSA-N 0 2 210.321 2.809 20 0 BFADLN O=C1CC(C2CCC2)=NN1c1cccc(Cl)n1 ZINC000871950936 589840399 /nfs/dbraw/zinc/84/03/99/589840399.db2.gz LDFZSYUGMQPSIF-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=c1cc(C2CCC2)[nH]n1-c1cccc(Cl)n1 ZINC000871950936 589840400 /nfs/dbraw/zinc/84/04/00/589840400.db2.gz LDFZSYUGMQPSIF-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN C[C@@H]1CCC[C@H](COc2ccc[nH+]c2C(=O)[O-])C1 ZINC000302429000 592547827 /nfs/dbraw/zinc/54/78/27/592547827.db2.gz VBFQTWRDGOUWOC-MNOVXSKESA-N 0 2 249.310 2.985 20 0 BFADLN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000309736947 601221092 /nfs/dbraw/zinc/22/10/92/601221092.db2.gz GSNNZLKWNICOOT-GZMMTYOYSA-N 0 2 239.702 2.560 20 0 BFADLN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000309736947 601221094 /nfs/dbraw/zinc/22/10/94/601221094.db2.gz GSNNZLKWNICOOT-GZMMTYOYSA-N 0 2 239.702 2.560 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CC23CCCC3)n1 ZINC000381128741 631216714 /nfs/dbraw/zinc/21/67/14/631216714.db2.gz KCDULFMSEQSZCG-SECBINFHSA-N 0 2 237.372 2.828 20 0 BFADLN O=C([O-])c1ccc[nH+]c1N1CCCCCCCC1 ZINC000321745079 636680657 /nfs/dbraw/zinc/68/06/57/636680657.db2.gz KZUYBYDQNICTIV-UHFFFAOYSA-N 0 2 248.326 2.940 20 0 BFADLN CONC(=O)CSc1ccc(C(C)C)cc1 ZINC000043813858 639166400 /nfs/dbraw/zinc/16/64/00/639166400.db2.gz JRFJBLHGUDYNPN-UHFFFAOYSA-N 0 2 239.340 2.580 20 0 BFADLN CCCCC[C@@H](Nc1cccc[nH+]1)C(=O)[O-] ZINC000910435775 639449405 /nfs/dbraw/zinc/44/94/05/639449405.db2.gz UJRCUVHDOVMZCG-SNVBAGLBSA-N 0 2 222.288 2.527 20 0 BFADLN O=c1cc(-c2ccc(Cl)cc2)[nH]n1C1CCC1 ZINC000917345745 642046116 /nfs/dbraw/zinc/04/61/16/642046116.db2.gz IKUUCDWYABHKIK-UHFFFAOYSA-N 0 2 248.713 2.829 20 0 BFADLN Cc1cc(C(F)(F)F)nc(=NOCC(C)C)[nH]1 ZINC000788074152 643576456 /nfs/dbraw/zinc/57/64/56/643576456.db2.gz CLFPEKOEJUJWMX-UHFFFAOYSA-N 0 2 249.236 2.803 20 0 BFADLN Cc1cc(F)ccc1[C@@H](C)NC(=O)C(F)(F)F ZINC000921572047 643613466 /nfs/dbraw/zinc/61/34/66/643613466.db2.gz YVQKUDYIJDTVJJ-SSDOTTSWSA-N 0 2 249.207 2.874 20 0 BFADLN C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000764457874 644657004 /nfs/dbraw/zinc/65/70/04/644657004.db2.gz SUQQRCOVKFXAPA-SFYZADRCSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000764457874 644657019 /nfs/dbraw/zinc/65/70/19/644657019.db2.gz SUQQRCOVKFXAPA-SFYZADRCSA-N 0 2 241.228 2.535 20 0 BFADLN O=C([O-])c1ccc(N[C@H]2CC23CCCC3)[nH+]c1 ZINC000386847136 711037230 /nfs/dbraw/zinc/03/72/30/711037230.db2.gz CDKCGBNVUARLCV-JTQLQIEISA-N 0 2 232.283 2.524 20 0 BFADLN CC(C)ONC(=O)C1(c2ccccc2)CCC1 ZINC000383300340 711550274 /nfs/dbraw/zinc/55/02/74/711550274.db2.gz LUOCYDWDPQXONO-UHFFFAOYSA-N 0 2 233.311 2.565 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1CCC(C)(C)C1CC1 ZINC001600685702 978719687 /nfs/dbraw/zinc/71/96/87/978719687.db2.gz YDHRSLIIBDXRSZ-UHFFFAOYSA-N 0 2 236.315 2.716 20 0 BFADLN CCC(C)(C)CCn1cc(C(=O)[O-])[nH+]c1C ZINC001604895923 979756137 /nfs/dbraw/zinc/75/61/37/979756137.db2.gz LFGIDTRFIFELDV-UHFFFAOYSA-N 0 2 224.304 2.716 20 0 BFADLN CC[C@H](C)CCNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001604956036 979783992 /nfs/dbraw/zinc/78/39/92/979783992.db2.gz JGSOYXAXCATMKK-JTQLQIEISA-N 0 2 236.315 2.557 20 0 BFADLN Cc1[nH+]c(C(=O)[O-])cn1C[C@@H](C)CC(C)(C)C ZINC001607946435 980144205 /nfs/dbraw/zinc/14/42/05/980144205.db2.gz MMLLAFQXFOLECH-VIFPVBQESA-N 0 2 238.331 2.962 20 0 BFADLN C[C@H]1CC[N@H+](Cc2cc(F)c([O-])cc2F)C1 ZINC001144647839 972912289 /nfs/dbraw/zinc/91/22/89/972912289.db2.gz MDWFOCZVPIEBOE-QMMMGPOBSA-N 0 2 227.254 2.512 20 0 BFADLN C[C@H]1CC[N@@H+](Cc2cc(F)c([O-])cc2F)C1 ZINC001144647839 972912308 /nfs/dbraw/zinc/91/23/08/972912308.db2.gz MDWFOCZVPIEBOE-QMMMGPOBSA-N 0 2 227.254 2.512 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cc2[nH]cnc2cn1 ZINC001243500569 970782017 /nfs/dbraw/zinc/78/20/17/970782017.db2.gz PQKDZIAMDKDDGB-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cc2nc[nH]c2cn1 ZINC001243500569 970782029 /nfs/dbraw/zinc/78/20/29/970782029.db2.gz PQKDZIAMDKDDGB-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN Oc1cc(-c2ccc3nn[nH]c3c2)ccc1Cl ZINC001243578868 970818662 /nfs/dbraw/zinc/81/86/62/970818662.db2.gz WSUCZEMKLULETE-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN CCCn1[nH]c(-c2ccccc2C)cc1=O ZINC001245936731 972104855 /nfs/dbraw/zinc/10/48/55/972104855.db2.gz RENPQSHNUQHYLX-UHFFFAOYSA-N 0 2 216.284 2.974 20 0 BFADLN C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccccc1 ZINC000019844707 957123572 /nfs/dbraw/zinc/12/35/72/957123572.db2.gz CQWISAOYIXFCKD-SNVBAGLBSA-N 0 2 242.278 2.953 20 0 BFADLN CC(C)c1nsc(N[C@@H]2C[C@@]2(C)C(C)C)n1 ZINC000397305545 957590642 /nfs/dbraw/zinc/59/06/42/957590642.db2.gz PWZYNSODWIDGGJ-SKDRFNHKSA-N 0 2 239.388 2.930 20 0 BFADLN OCCc1ccc[nH+]c1Nc1cccc([S-])c1 ZINC001210946126 957951320 /nfs/dbraw/zinc/95/13/20/957951320.db2.gz BTYFZHJAQXRJHJ-UHFFFAOYSA-N 0 2 246.335 2.649 20 0 BFADLN Nc1ccc2ncn(-c3cccc(S)c3)c2c1 ZINC001210947578 957955537 /nfs/dbraw/zinc/95/55/37/957955537.db2.gz TWWWLKVRNPXUFE-UHFFFAOYSA-N 0 2 241.319 2.896 20 0 BFADLN CCOc1ccc(F)c(Nc2nnc(C)o2)c1 ZINC001211050919 958007267 /nfs/dbraw/zinc/00/72/67/958007267.db2.gz PVJXYGZKNKYMFZ-UHFFFAOYSA-N 0 2 237.234 2.659 20 0 BFADLN CC1(C)CC[C@H](Nc2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000129664959 958715141 /nfs/dbraw/zinc/71/51/41/958715141.db2.gz XMIVOTLKJLLZKT-JTQLQIEISA-N 0 2 234.299 2.770 20 0 BFADLN C[C@H]1COCC[C@H]1Oc1ccc(S)cc1 ZINC001225557554 962256062 /nfs/dbraw/zinc/25/60/62/962256062.db2.gz HONFAJFDSOJBMG-JOYOIKCWSA-N 0 2 224.325 2.779 20 0 BFADLN CC1(C)OC[C@@H](Cc2cccc(S)c2)O1 ZINC001250186525 967493879 /nfs/dbraw/zinc/49/38/79/967493879.db2.gz RDQIYCMTQKXXPO-SNVBAGLBSA-N 0 2 224.325 2.669 20 0 BFADLN CCCc1nnc(-c2cc(F)c(O)c(F)c2)o1 ZINC001254032109 969455261 /nfs/dbraw/zinc/45/52/61/969455261.db2.gz PXABKNSLGOAAPR-UHFFFAOYSA-N 0 2 240.209 2.673 20 0 BFADLN Nc1ccn(-c2cccc(S)c2)c2nccc1-2 ZINC001210945518 970078769 /nfs/dbraw/zinc/07/87/69/970078769.db2.gz MSZBOPVACCPHQH-UHFFFAOYSA-N 0 2 241.319 2.848 20 0 BFADLN Clc1ccncc1Nc1nonc1C1CC1 ZINC001211210181 970171943 /nfs/dbraw/zinc/17/19/43/970171943.db2.gz VGBHTMFAZGGEBC-UHFFFAOYSA-N 0 2 236.662 2.739 20 0 BFADLN CC[C@@H](COc1ccc(S)cc1)OC ZINC001225555829 974551677 /nfs/dbraw/zinc/55/16/77/974551677.db2.gz QQIFDYSEVATRAC-VIFPVBQESA-N 0 2 212.314 2.779 20 0 BFADLN C[C@@H]1CCCC[C@@H]1Oc1nc(Cl)cc(=O)[nH]1 ZINC001225561134 974555280 /nfs/dbraw/zinc/55/52/80/974555280.db2.gz YGKQSFZHJRGGAW-SFYZADRCSA-N 0 2 242.706 2.793 20 0 BFADLN CC(C)C(Oc1nc(Cl)cc(=O)[nH]1)C(C)C ZINC001225561882 974555918 /nfs/dbraw/zinc/55/59/18/974555918.db2.gz CKRGYBKYTNLRHP-UHFFFAOYSA-N 0 2 244.722 2.895 20 0 BFADLN CC1CCC(Oc2nc(Cl)cc(=O)[nH]2)CC1 ZINC001225564348 974558051 /nfs/dbraw/zinc/55/80/51/974558051.db2.gz YYDGDRTVNLDFGK-UHFFFAOYSA-N 0 2 242.706 2.793 20 0 BFADLN C[C@@H]1CCC[C@@H](Oc2nc(=O)[nH]cc2F)[C@H]1C ZINC001225885965 974718156 /nfs/dbraw/zinc/71/81/56/974718156.db2.gz RLYFNKZLKMFUKS-KHQFGBGNSA-N 0 2 240.278 2.525 20 0 BFADLN Cc1nc(O[C@@H]2CCCC[C@H]2C)c(F)c(=O)[nH]1 ZINC001226419071 974892046 /nfs/dbraw/zinc/89/20/46/974892046.db2.gz FVENNPDALTUYHA-VXNVDRBHSA-N 0 2 240.278 2.587 20 0 BFADLN CCC[C@@H](Oc1nc(C)[nH]c(=O)c1F)C(C)C ZINC001226424472 974893537 /nfs/dbraw/zinc/89/35/37/974893537.db2.gz QAESMFSYXPEVGN-SECBINFHSA-N 0 2 242.294 2.833 20 0 BFADLN Cc1nc(OC2CCCCCC2)c(F)c(=O)[nH]1 ZINC001226424864 974893962 /nfs/dbraw/zinc/89/39/62/974893962.db2.gz SMPRYWTVZLLDED-UHFFFAOYSA-N 0 2 240.278 2.731 20 0 BFADLN CC(=O)[C@H](C)Oc1ccc(S)cc1C ZINC001229634933 976919896 /nfs/dbraw/zinc/91/98/96/976919896.db2.gz OYQBKNNQMUTVQZ-VIFPVBQESA-N 0 2 210.298 2.640 20 0 BFADLN Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)[nH+]c1 ZINC001174949193 977182652 /nfs/dbraw/zinc/18/26/52/977182652.db2.gz FPMVYVSCLCAQLC-UHFFFAOYSA-N 0 2 242.278 2.761 20 0 BFADLN COc1cc[nH+]cc1Nc1cccc(C(=O)[O-])c1 ZINC001175327117 977375959 /nfs/dbraw/zinc/37/59/59/977375959.db2.gz ATLUIOMQDYQPRO-UHFFFAOYSA-N 0 2 244.250 2.532 20 0 BFADLN Sc1ccccc1NC1=CCOCC1 ZINC001176142670 977928476 /nfs/dbraw/zinc/92/84/76/977928476.db2.gz KODJQNATYCUNHK-UHFFFAOYSA-N 0 2 207.298 2.691 20 0 BFADLN Cc1n[nH]c(SCc2ccc(CF)cc2)n1 ZINC001337329011 978290211 /nfs/dbraw/zinc/29/02/11/978290211.db2.gz YWNTZDQVWPVVOU-UHFFFAOYSA-N 0 2 237.303 2.875 20 0 BFADLN Cc1ccc(N2CCC[C@@H](C)CC2)[nH+]c1C(=O)[O-] ZINC001600434596 978691124 /nfs/dbraw/zinc/69/11/24/978691124.db2.gz JCEDCIMEBOLZMU-SNVBAGLBSA-N 0 2 248.326 2.715 20 0 BFADLN Cc1ccc(N2CCC[C@H](C)CC2)[nH+]c1C(=O)[O-] ZINC001600434595 978691998 /nfs/dbraw/zinc/69/19/98/978691998.db2.gz JCEDCIMEBOLZMU-JTQLQIEISA-N 0 2 248.326 2.715 20 0 BFADLN Cc1ccc(N2C[C@H](C)[C@H](C)[C@@H]2C)[nH+]c1C(=O)[O-] ZINC001600436047 978693246 /nfs/dbraw/zinc/69/32/46/978693246.db2.gz HVMCSZIRNQXHBR-DCAQKATOSA-N 0 2 248.326 2.569 20 0 BFADLN Cc1ccc(N[C@@H]2CCC2(C)C)[nH+]c1C(=O)[O-] ZINC001600459222 978694139 /nfs/dbraw/zinc/69/41/39/978694139.db2.gz GGZJNCMGOBGCGP-SECBINFHSA-N 0 2 234.299 2.689 20 0 BFADLN Cc1ccc(N[C@H](C)C2CCC2)[nH+]c1C(=O)[O-] ZINC001600458286 978696800 /nfs/dbraw/zinc/69/68/00/978696800.db2.gz GTUDLXVMDJLKGM-SECBINFHSA-N 0 2 234.299 2.689 20 0 BFADLN CC(C)[C@H](Nc1cc(CC(=O)[O-])cc[nH+]1)C1CC1 ZINC001603740199 979510351 /nfs/dbraw/zinc/51/03/51/979510351.db2.gz LNHYLOYEIJZFNH-AWEZNQCLSA-N 0 2 248.326 2.555 20 0 BFADLN Cc1ccc(F)c(-c2ncc(C)c(C)n2)c1O ZINC001236393859 979578430 /nfs/dbraw/zinc/57/84/30/979578430.db2.gz VAPYFIUKSOVJCT-UHFFFAOYSA-N 0 2 232.258 2.914 20 0 BFADLN CSC[C@H](C)C(=O)Nc1ccccc1S ZINC001183214932 979773376 /nfs/dbraw/zinc/77/33/76/979773376.db2.gz DMHKHRKIOUBTDV-QMMMGPOBSA-N 0 2 241.381 2.913 20 0 BFADLN Cc1ccc(N(C)[C@@H](C)C(C)C)[nH+]c1C(=O)[O-] ZINC001607790269 980127405 /nfs/dbraw/zinc/12/74/05/980127405.db2.gz DOFAHQNJOYJIPM-JTQLQIEISA-N 0 2 236.315 2.569 20 0 BFADLN Cc1ccc(N[C@H](C)c2ccc[nH]2)[nH+]c1C(=O)[O-] ZINC001607807176 980131529 /nfs/dbraw/zinc/13/15/29/980131529.db2.gz CZZIDDRGRSXHEP-SECBINFHSA-N 0 2 245.282 2.589 20 0 BFADLN NC(=O)c1ccccc1-c1cccc(S)c1 ZINC001239761084 980900834 /nfs/dbraw/zinc/90/08/34/980900834.db2.gz JZEQNZURCOXENA-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN NC(=O)c1cccc(-c2ccc(S)cc2)c1 ZINC001239884331 981017032 /nfs/dbraw/zinc/01/70/32/981017032.db2.gz ODEJXWFLKCBQHZ-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN Cc1n[nH]c(C)c1-c1ccccc1S ZINC001240124316 981119939 /nfs/dbraw/zinc/11/99/39/981119939.db2.gz AYYBHUTURCRACB-UHFFFAOYSA-N 0 2 204.298 2.982 20 0 BFADLN Cc1nc2c(cncc2-c2ccc(O)c(F)c2)[nH]1 ZINC001240787443 981833521 /nfs/dbraw/zinc/83/35/21/981833521.db2.gz DZTJVNCLJOZXEG-UHFFFAOYSA-N 0 2 243.241 2.778 20 0 BFADLN Cc1ccc(C(=O)[O-])cc1-c1c[nH+]c(N)c(C)c1 ZINC001241002353 982088791 /nfs/dbraw/zinc/08/87/91/982088791.db2.gz XXUZQHDFGKICGD-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN c1cc2c(ccnc2-c2ccc3[nH]nnc3c2)cn1 ZINC001241940713 983154035 /nfs/dbraw/zinc/15/40/35/983154035.db2.gz PIQQBYDZPSSHEX-UHFFFAOYSA-N 0 2 247.261 2.568 20 0 BFADLN Nc1ccc(Nc2ccc([S-])cc2)c[nH+]1 ZINC001201286005 983160056 /nfs/dbraw/zinc/16/00/56/983160056.db2.gz UPWZLZUSEANRBZ-UHFFFAOYSA-N 0 2 217.297 2.696 20 0 BFADLN Oc1cc(F)ccc1-c1nncc2cnccc21 ZINC001242215729 983413079 /nfs/dbraw/zinc/41/30/79/983413079.db2.gz IBMCOPACFSVMTR-UHFFFAOYSA-N 0 2 241.225 2.537 20 0 BFADLN COc1cnc(-c2cccc(Cl)c2O)cn1 ZINC001242362304 983649712 /nfs/dbraw/zinc/64/97/12/983649712.db2.gz CIIREPBZEUNMPR-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN COc1ccc(-c2cccc(Cl)c2O)nn1 ZINC001242362600 983653433 /nfs/dbraw/zinc/65/34/33/983653433.db2.gz KCIDEJAWGPRYPH-UHFFFAOYSA-N 0 2 236.658 2.511 20 0 BFADLN COCCCn1cc(-c2cccc(S)c2)cn1 ZINC001242488470 983813944 /nfs/dbraw/zinc/81/39/44/983813944.db2.gz XBLTZXMYIVTMRN-UHFFFAOYSA-N 0 2 248.351 2.875 20 0 BFADLN CCCONC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001570715193 984025951 /nfs/dbraw/zinc/02/59/51/984025951.db2.gz JHGIGOKACIGURZ-SNVBAGLBSA-N 0 2 247.294 2.994 20 0 BFADLN Cn1cnc2cc(-c3cccc(S)c3)cnc21 ZINC001242863520 984207552 /nfs/dbraw/zinc/20/75/52/984207552.db2.gz BIPISVYSTWFURZ-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Cn1ccc2c[nH+]c(-c3cccc([S-])c3)nc21 ZINC001242865395 984208725 /nfs/dbraw/zinc/20/87/25/984208725.db2.gz DCQIFDKLAJKYTG-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN Cn1nnc2ccc(-c3cccc(S)c3)cc21 ZINC001242866519 984212570 /nfs/dbraw/zinc/21/25/70/984212570.db2.gz CICRBVGJDXRKCU-UHFFFAOYSA-N 0 2 241.319 2.924 20 0 BFADLN CCn1cc(-c2cccc(S)c2)ccc1=O ZINC001242867166 984213948 /nfs/dbraw/zinc/21/39/48/984213948.db2.gz MPLVWBXBUUPAMO-UHFFFAOYSA-N 0 2 231.320 2.824 20 0 BFADLN Cc1cc(-c2cccc(S)c2)c(=O)n(C)c1 ZINC001242867770 984214472 /nfs/dbraw/zinc/21/44/72/984214472.db2.gz PQECCUJYHLYFHU-UHFFFAOYSA-N 0 2 231.320 2.649 20 0 BFADLN Cc1cc(-c2ccc(C(=O)[O-])c(C)c2)c[nH+]c1N ZINC001243214884 984705050 /nfs/dbraw/zinc/70/50/50/984705050.db2.gz JWDCWIJBALIJIP-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Oc1c(F)cc(F)cc1-c1cnc2cc[nH]c2n1 ZINC001243499040 985054090 /nfs/dbraw/zinc/05/40/90/985054090.db2.gz ARZJMWPRJHIEJS-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN CCc1nccc(-c2cc(F)cc(F)c2O)n1 ZINC001243504568 985062515 /nfs/dbraw/zinc/06/25/15/985062515.db2.gz SYIDXKPRTGNBAL-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN Nc1ncccc1-c1cc(F)c(O)c(Cl)c1 ZINC001244502524 986203401 /nfs/dbraw/zinc/20/34/01/986203401.db2.gz XMLIKSORFLNALG-UHFFFAOYSA-N 0 2 238.649 2.829 20 0 BFADLN Cc1cc(-c2ccc(Cl)c(O)c2F)ncn1 ZINC001244629715 986295624 /nfs/dbraw/zinc/29/56/24/986295624.db2.gz FBQRGMDHVIEELG-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Nc1cc(-c2ccc(C(=O)[O-])cc2Cl)cc[nH+]1 ZINC001245371542 986827629 /nfs/dbraw/zinc/82/76/29/986827629.db2.gz GAQPLUHLRXMNKS-UHFFFAOYSA-N 0 2 248.669 2.682 20 0 BFADLN Cc1cnnc(-c2cc(Cl)c(O)cc2F)c1 ZINC001245668066 987052146 /nfs/dbraw/zinc/05/21/46/987052146.db2.gz LHUFBVUEDBVILZ-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN O=c1cc(-c2ccc(F)cc2)[nH]n1C1CC1 ZINC001245917911 987152643 /nfs/dbraw/zinc/15/26/43/987152643.db2.gz MMDSWNJKWMYUNF-UHFFFAOYSA-N 0 2 218.231 2.730 20 0 BFADLN CCCn1[nH]c(-c2ccc(C)cc2)cc1=O ZINC001245919174 987154907 /nfs/dbraw/zinc/15/49/07/987154907.db2.gz MDYQELDFFGBCFC-UHFFFAOYSA-N 0 2 216.284 2.974 20 0 BFADLN COc1ccc(-c2cc(=O)n(C3CC3)[nH]2)cc1 ZINC001245919874 987157298 /nfs/dbraw/zinc/15/72/98/987157298.db2.gz LRMZCPQJVLPWKT-UHFFFAOYSA-N 0 2 230.267 2.599 20 0 BFADLN COc1cccc(C2=NN(C3CC3)C(=O)C2)c1 ZINC001245918793 987161865 /nfs/dbraw/zinc/16/18/65/987161865.db2.gz CDAHPKRRYQMZKP-UHFFFAOYSA-N 0 2 230.267 2.599 20 0 BFADLN COc1cccc(-c2cc(=O)n(C3CC3)[nH]2)c1 ZINC001245918793 987161871 /nfs/dbraw/zinc/16/18/71/987161871.db2.gz CDAHPKRRYQMZKP-UHFFFAOYSA-N 0 2 230.267 2.599 20 0 BFADLN O=C1CC(c2cccc(O)c2)=NN1C1CCC1 ZINC001245938510 987208131 /nfs/dbraw/zinc/20/81/31/987208131.db2.gz DZZQDRPMGSETGP-UHFFFAOYSA-N 0 2 230.267 2.686 20 0 BFADLN O=c1cc(-c2cccc(O)c2)[nH]n1C1CCC1 ZINC001245938510 987208136 /nfs/dbraw/zinc/20/81/36/987208136.db2.gz DZZQDRPMGSETGP-UHFFFAOYSA-N 0 2 230.267 2.686 20 0 BFADLN Cc1ccc(C2=NN(C(C)(C)C)C(=O)C2)cn1 ZINC001245950088 987225048 /nfs/dbraw/zinc/22/50/48/987225048.db2.gz VVUNRKPNNOUKHS-UHFFFAOYSA-N 0 2 231.299 2.714 20 0 BFADLN CC[C@H](C)n1[nH]c(-c2cccc(N)c2)cc1=O ZINC001245947737 987228213 /nfs/dbraw/zinc/22/82/13/987228213.db2.gz ASLJKIIBKBFQMN-VIFPVBQESA-N 0 2 231.299 2.809 20 0 BFADLN Nc1cccc(-c2cc(=O)n(CC3CCC3)[nH]2)c1 ZINC001245953693 987246151 /nfs/dbraw/zinc/24/61/51/987246151.db2.gz RAIXXRZJWWWUAL-UHFFFAOYSA-N 0 2 243.310 2.638 20 0 BFADLN CC(C)CCCCNC(=O)C(F)C(F)(F)F ZINC001522898258 989885321 /nfs/dbraw/zinc/88/53/21/989885321.db2.gz HZTGBQDLICXMKS-MRVPVSSYSA-N 0 2 243.244 2.829 20 0 BFADLN CC(C)CCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001522898258 989885327 /nfs/dbraw/zinc/88/53/27/989885327.db2.gz HZTGBQDLICXMKS-MRVPVSSYSA-N 0 2 243.244 2.829 20 0 BFADLN CC(C)(C)ONC(=O)c1cccc(Cl)c1O ZINC001319955988 992041910 /nfs/dbraw/zinc/04/19/10/992041910.db2.gz UPENQVVUFGWUBV-UHFFFAOYSA-N 0 2 243.690 2.506 20 0 BFADLN CCCC1=NN([C@@H](C)C(C)(C)C)C(=O)C1 ZINC000400339680 398173344 /nfs/dbraw/zinc/17/33/44/398173344.db2.gz MTBQTMYOYIXYOK-VIFPVBQESA-N 0 2 210.321 2.809 20 0 BFADLN O=c1c2c([nH]n1CCc1ccccc1)CCCC2 ZINC000629942797 361783519 /nfs/dbraw/zinc/78/35/19/361783519.db2.gz ZLXDWNIWYNDMSP-CYBMUJFWSA-N 0 2 242.322 2.618 20 0 BFADLN O=c1nc(-c2cscn2)[nH]c2ccsc21 ZINC000432502211 398237677 /nfs/dbraw/zinc/23/76/77/398237677.db2.gz HBCCMBKCKFZFOI-UHFFFAOYSA-N 0 2 235.293 2.520 20 0 BFADLN Cc1cc2ccccc2[nH+]c1NC[C@H](C)C(=O)[O-] ZINC000063105349 178298410 /nfs/dbraw/zinc/29/84/10/178298410.db2.gz XRTDBPATMMTNMO-JTQLQIEISA-N 0 2 244.294 2.676 20 0 BFADLN CC[C@H]1CCC[C@@H]1Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000388831493 398251287 /nfs/dbraw/zinc/25/12/87/398251287.db2.gz WHBVDXDUIYXDQW-ONGXEEELSA-N 0 2 234.299 2.770 20 0 BFADLN Cc1cccc(N2N=C3[C@H](C)CC[C@@H]3C2=O)c1 ZINC000634583075 342800440 /nfs/dbraw/zinc/80/04/40/342800440.db2.gz KQFBLNWQDFTHPF-PWSUYJOCSA-N 0 2 228.295 2.744 20 0 BFADLN C[C@@H]1CCC2=NN(c3ccccc3)C(=O)[C@@H]2C1 ZINC000634582217 342798031 /nfs/dbraw/zinc/79/80/31/342798031.db2.gz NGZMZYXNBWSDHJ-ZYHUDNBSSA-N 0 2 228.295 2.825 20 0 BFADLN C[C@@H]1CCC2=NN(c3ccc(F)cc3)C(=O)[C@H]2C1 ZINC000634582854 342800221 /nfs/dbraw/zinc/80/02/21/342800221.db2.gz DDZDYEVIQXQONU-SKDRFNHKSA-N 0 2 246.285 2.965 20 0 BFADLN C/C=C\CN=c1[nH]c(C(F)(F)F)cs1 ZINC000624656392 342810061 /nfs/dbraw/zinc/81/00/61/342810061.db2.gz OEMVCLCKEGZPTO-IHWYPQMZSA-N 0 2 222.235 2.572 20 0 BFADLN CCCCC1=NN(CC(C)(C)C)C(=O)C1 ZINC000634587880 342932226 /nfs/dbraw/zinc/93/22/26/342932226.db2.gz BKNALGXUMLFVJB-UHFFFAOYSA-N 0 2 210.321 2.811 20 0 BFADLN C[C@H]1C(=O)N(C2CCCC2)N=C1c1cccs1 ZINC000634588293 342934090 /nfs/dbraw/zinc/93/40/90/342934090.db2.gz OBKOCADPNHSYNJ-SECBINFHSA-N 0 2 248.351 2.873 20 0 BFADLN C[C@H]1CC[C@H]2C(=O)N(c3cccc(F)c3)N=C21 ZINC000634593676 342951494 /nfs/dbraw/zinc/95/14/94/342951494.db2.gz XGWCGYMRRNJAFN-GZMMTYOYSA-N 0 2 232.258 2.574 20 0 BFADLN CCc1ccc(N2N=C3[C@H](C)CC[C@H]3C2=O)cc1 ZINC000634594513 342952863 /nfs/dbraw/zinc/95/28/63/342952863.db2.gz YIARTVIUPFUYJC-ZWNOBZJWSA-N 0 2 242.322 2.998 20 0 BFADLN C[C@H](C1CC1)N1N=C(c2cccs2)[C@H](C)C1=O ZINC000634597418 342973692 /nfs/dbraw/zinc/97/36/92/342973692.db2.gz JROWDFFQOLRJHE-DTWKUNHWSA-N 0 2 248.351 2.729 20 0 BFADLN CCCCC1=NN(c2cccc(C)n2)C(=O)C1 ZINC000634613154 343010028 /nfs/dbraw/zinc/01/00/28/343010028.db2.gz QTTXEILMTHDSHY-UHFFFAOYSA-N 0 2 231.299 2.673 20 0 BFADLN CCCCc1cc(=O)n(-c2cccc(C)n2)[nH]1 ZINC000634613154 343010030 /nfs/dbraw/zinc/01/00/30/343010030.db2.gz QTTXEILMTHDSHY-UHFFFAOYSA-N 0 2 231.299 2.673 20 0 BFADLN CCCCC1=NN(c2cccc(C)n2)C(=O)[C@H]1C ZINC000634613103 343010192 /nfs/dbraw/zinc/01/01/92/343010192.db2.gz PJLHKWOHMMKESI-NSHDSACASA-N 0 2 245.326 2.919 20 0 BFADLN CCC(CC)CN1N=C(c2ccoc2)CC1=O ZINC000634621511 343020394 /nfs/dbraw/zinc/02/03/94/343020394.db2.gz IPSAHCTVHKVNNC-UHFFFAOYSA-N 0 2 234.299 2.652 20 0 BFADLN CCC(CC)Cn1[nH]c(-c2ccoc2)cc1=O ZINC000634621511 343020395 /nfs/dbraw/zinc/02/03/95/343020395.db2.gz IPSAHCTVHKVNNC-UHFFFAOYSA-N 0 2 234.299 2.652 20 0 BFADLN C[C@H](n1[nH]c2c(c1=O)C[C@H](C)CC2)C(F)(F)F ZINC000634630707 343041215 /nfs/dbraw/zinc/04/12/15/343041215.db2.gz CIOKYGORMNPRNS-CSMHCCOUSA-N 0 2 248.248 2.572 20 0 BFADLN CCC1=NN([C@H]2CCc3c2cccc3F)C(=O)C1 ZINC000634632418 343043342 /nfs/dbraw/zinc/04/33/42/343043342.db2.gz QOLMSOIPLFSGKR-ZDUSSCGKSA-N 0 2 246.285 2.811 20 0 BFADLN CC1(CN2N=C(c3ccoc3)CC2=O)CCCC1 ZINC000634630179 343038747 /nfs/dbraw/zinc/03/87/47/343038747.db2.gz OIIWJJWPVURZGZ-UHFFFAOYSA-N 0 2 246.310 2.796 20 0 BFADLN CC1(Cn2[nH]c(-c3ccoc3)cc2=O)CCCC1 ZINC000634630179 343038750 /nfs/dbraw/zinc/03/87/50/343038750.db2.gz OIIWJJWPVURZGZ-UHFFFAOYSA-N 0 2 246.310 2.796 20 0 BFADLN CC1(Cn2[nH]c3c(c2=O)CCCC3)CCCC1 ZINC000634630336 343039316 /nfs/dbraw/zinc/03/93/16/343039316.db2.gz SKBZZIARMHACSH-NSHDSACASA-N 0 2 234.343 2.955 20 0 BFADLN CC(C)CC1=NN(Cc2ccccc2)C(=O)C1 ZINC000131268329 344142453 /nfs/dbraw/zinc/14/24/53/344142453.db2.gz OVQMSKADSJGOOZ-UHFFFAOYSA-N 0 2 230.311 2.836 20 0 BFADLN C1CC1c1nsc(N[C@H]2CCCC23CC3)n1 ZINC000631418965 344203400 /nfs/dbraw/zinc/20/34/00/344203400.db2.gz PASPDRIUOLHMPQ-VIFPVBQESA-N 0 2 235.356 2.582 20 0 BFADLN Cc1cccc(NC[C@@H](c2ccco2)[NH+](C)C)[nH+]1 ZINC000114183467 179146870 /nfs/dbraw/zinc/14/68/70/179146870.db2.gz VAABYAMRMCWMOH-LBPRGKRZSA-N 0 2 245.326 2.698 20 0 BFADLN CCCc1nsc(N[C@H]2CCC[C@@H]2CC)n1 ZINC000390643613 259396396 /nfs/dbraw/zinc/39/63/96/259396396.db2.gz NIMNEZOQSVYWHS-UWVGGRQHSA-N 0 2 239.388 2.903 20 0 BFADLN O=C(Nc1ccccc1)c1cc(F)c(O)c(F)c1 ZINC000176941272 365932007 /nfs/dbraw/zinc/93/20/07/365932007.db2.gz CXEZLJKIEJVZBB-UHFFFAOYSA-N 0 2 249.216 2.923 20 0 BFADLN CC(C)c1nsc(N[C@@H]2CCC(F)(F)C2)n1 ZINC000381574545 538111220 /nfs/dbraw/zinc/11/12/20/538111220.db2.gz XVGIIGRFOHVEDU-SSDOTTSWSA-N 0 2 247.314 2.683 20 0 BFADLN C(Nc1nc(C2CC2)ns1)C12CCC(CC1)C2 ZINC000339700918 188191817 /nfs/dbraw/zinc/19/18/17/188191817.db2.gz LGMRGRYAZYTSMC-UHFFFAOYSA-N 0 2 249.383 2.830 20 0 BFADLN C(N=c1[nH]nc(C2CC2)s1)C12CCC(CC1)C2 ZINC000339695866 188192178 /nfs/dbraw/zinc/19/21/78/188192178.db2.gz NBOSRGMGKHQMRS-UHFFFAOYSA-N 0 2 249.383 2.830 20 0 BFADLN CCC1(N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000379457717 358489503 /nfs/dbraw/zinc/48/95/03/358489503.db2.gz RVTJUMRYTBTTID-UHFFFAOYSA-N 0 2 225.361 2.612 20 0 BFADLN CCCc1nsc(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000413466637 191383807 /nfs/dbraw/zinc/38/38/07/191383807.db2.gz YGZXCPUJBONGFN-UTLUCORTSA-N 0 2 237.372 2.513 20 0 BFADLN CC[C@@]1(C(C)C)C[C@@H]1Nc1nc(C)ns1 ZINC000413371747 191377607 /nfs/dbraw/zinc/37/76/07/191377607.db2.gz GUUNRMSQFJBIPL-ONGXEEELSA-N 0 2 225.361 2.505 20 0 BFADLN CC[C@@]1(C(C)C)C[C@@H]1N=c1nc(C)[nH]s1 ZINC000413371747 191377608 /nfs/dbraw/zinc/37/76/08/191377608.db2.gz GUUNRMSQFJBIPL-ONGXEEELSA-N 0 2 225.361 2.505 20 0 BFADLN C[C@@H](Nc1nc(C2CCCC2)ns1)C1CC1 ZINC000420594431 192247355 /nfs/dbraw/zinc/24/73/55/192247355.db2.gz ZRHVULNBLPHBQV-MRVPVSSYSA-N 0 2 237.372 2.828 20 0 BFADLN CC[C@@H](C)Nc1nc(C2CCCC2)ns1 ZINC000420591348 192247657 /nfs/dbraw/zinc/24/76/57/192247657.db2.gz VIDGLHZAJQNZGX-MRVPVSSYSA-N 0 2 225.361 2.828 20 0 BFADLN C1CCC(c2nsc(N[C@H]3[C@@H]4CCC[C@@H]43)n2)C1 ZINC000420620530 192249978 /nfs/dbraw/zinc/24/99/78/192249978.db2.gz DPRGOPPXBIUBLL-URLYPYJESA-N 0 2 249.383 2.828 20 0 BFADLN FC1(F)CCCC[C@@H](CN=c2[nH]ncs2)C1 ZINC000336186781 134121633 /nfs/dbraw/zinc/12/16/33/134121633.db2.gz ZSLYTPABMRJGJL-MRVPVSSYSA-N 0 2 247.314 2.588 20 0 BFADLN CCCC[C@@H]1CCC[C@@H]1N=c1[nH]ncs1 ZINC000450309989 202125449 /nfs/dbraw/zinc/12/54/49/202125449.db2.gz VXHNTJBZYXXCGK-ZJUUUORDSA-N 0 2 225.361 2.731 20 0 BFADLN CC(C)CC1(CN=c2[nH]ncs2)CCC1 ZINC000450375820 202146611 /nfs/dbraw/zinc/14/66/11/202146611.db2.gz FVKHDGFPQPQNIR-UHFFFAOYSA-N 0 2 225.361 2.588 20 0 BFADLN CC(F)(F)CCCN=c1[nH]nc(C2CC2)s1 ZINC000450567520 202200482 /nfs/dbraw/zinc/20/04/82/202200482.db2.gz YQJYBBKDBWATJB-UHFFFAOYSA-N 0 2 247.314 2.685 20 0 BFADLN CCC[N@@H+]1CCCc2c(C(=O)[O-])cccc21 ZINC000037474291 358070579 /nfs/dbraw/zinc/07/05/79/358070579.db2.gz VHRNPBUECBBDLP-UHFFFAOYSA-N 0 2 219.284 2.547 20 0 BFADLN CCC[N@H+]1CCCc2c(C(=O)[O-])cccc21 ZINC000037474291 358070581 /nfs/dbraw/zinc/07/05/81/358070581.db2.gz VHRNPBUECBBDLP-UHFFFAOYSA-N 0 2 219.284 2.547 20 0 BFADLN CCC1(Nc2nc(CC(C)C)ns2)CC1 ZINC000450655593 202228787 /nfs/dbraw/zinc/22/87/87/202228787.db2.gz YQOAFOHPRCNOLK-UHFFFAOYSA-N 0 2 225.361 2.513 20 0 BFADLN CC(C)=CCC[C@H](C)N=c1[nH]nc(C)s1 ZINC000450673662 202232911 /nfs/dbraw/zinc/23/29/11/202232911.db2.gz LEKPXZAYPNQYKS-VIFPVBQESA-N 0 2 225.361 2.815 20 0 BFADLN CCC[C@@H]1CCCC[C@H]1N=c1[nH]ncs1 ZINC000578593959 366602600 /nfs/dbraw/zinc/60/26/00/366602600.db2.gz RKOKFPAZRXOZTE-NXEZZACHSA-N 0 2 225.361 2.731 20 0 BFADLN CC(C)(C)c1nc(=NC2CCC3(CC3)CC2)[nH]o1 ZINC000433791753 201193768 /nfs/dbraw/zinc/19/37/68/201193768.db2.gz JPDCCHVXADBLEV-UHFFFAOYSA-N 0 2 249.358 2.924 20 0 BFADLN O=C([O-])c1cc(N2CCCC3(CC3)CC2)cc[nH+]1 ZINC000629769699 361692667 /nfs/dbraw/zinc/69/26/67/361692667.db2.gz PXUXDXCCKDRCCT-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN C[C@H]1CC[C@H](c2nc(=O)c3sccc3[nH]2)O1 ZINC000630384550 364097621 /nfs/dbraw/zinc/09/76/21/364097621.db2.gz BNYWUFJHYMUEGX-POYBYMJQSA-N 0 2 236.296 2.637 20 0 BFADLN CC(C)C[C@@H]1C[C@H]1Nc1nc(C2CC2)ns1 ZINC000385159540 367803070 /nfs/dbraw/zinc/80/30/70/367803070.db2.gz FAOWKWJPAGYSNU-NXEZZACHSA-N 0 2 237.372 2.684 20 0 BFADLN CCCC[C@H](C(=O)[O-])[N@H+](CCC)CC(F)F ZINC000385696734 367855704 /nfs/dbraw/zinc/85/57/04/367855704.db2.gz FOISGYUTNRHNGT-SECBINFHSA-N 0 2 237.290 2.607 20 0 BFADLN CCCC[C@H](C(=O)[O-])[N@@H+](CCC)CC(F)F ZINC000385696734 367855711 /nfs/dbraw/zinc/85/57/11/367855711.db2.gz FOISGYUTNRHNGT-SECBINFHSA-N 0 2 237.290 2.607 20 0 BFADLN O=C(NCC1=CCCCC1)[C@H](F)C(F)(F)F ZINC000295814443 182133554 /nfs/dbraw/zinc/13/35/54/182133554.db2.gz ONYJNHUMEMIHQO-QMMMGPOBSA-N 0 2 239.212 2.503 20 0 BFADLN O=C(NCC1=CCCCC1)C(F)C(F)(F)F ZINC000295814443 182133558 /nfs/dbraw/zinc/13/35/58/182133558.db2.gz ONYJNHUMEMIHQO-QMMMGPOBSA-N 0 2 239.212 2.503 20 0 BFADLN O=C1N=NC(SCC2CCCCCC2)N1 ZINC000194622337 206100065 /nfs/dbraw/zinc/10/00/65/206100065.db2.gz IDYXNNRLXVPUJF-UHFFFAOYSA-N 0 2 227.333 2.573 20 0 BFADLN O=c1[nH]nc(SCC2CCCCCC2)[nH]1 ZINC000194622337 206100070 /nfs/dbraw/zinc/10/00/70/206100070.db2.gz IDYXNNRLXVPUJF-UHFFFAOYSA-N 0 2 227.333 2.573 20 0 BFADLN CCC[C@@H](CC)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000051067491 169380466 /nfs/dbraw/zinc/38/04/66/169380466.db2.gz CECPDNMNILYBHK-SECBINFHSA-N 0 2 222.288 2.770 20 0 BFADLN O=C1N=NC(SCCCC2CCCC2)N1 ZINC000187647329 384280946 /nfs/dbraw/zinc/28/09/46/384280946.db2.gz QVLPHMGHTLWVLV-UHFFFAOYSA-N 0 2 227.333 2.573 20 0 BFADLN O=c1[nH]nc(SCCCC2CCCC2)[nH]1 ZINC000187647329 384280952 /nfs/dbraw/zinc/28/09/52/384280952.db2.gz QVLPHMGHTLWVLV-UHFFFAOYSA-N 0 2 227.333 2.573 20 0 BFADLN CCCCC1=NN(c2ccc(C)cn2)C(=O)[C@H]1C ZINC000634598926 384612377 /nfs/dbraw/zinc/61/23/77/384612377.db2.gz WENQDFWKRHWTDA-NSHDSACASA-N 0 2 245.326 2.919 20 0 BFADLN C[C@@H]1CCN(c2[nH+]cccc2C(=O)[O-])C[C@@H](C)C1 ZINC000647446984 385033495 /nfs/dbraw/zinc/03/34/95/385033495.db2.gz CSBXFFAGZDFJRN-MNOVXSKESA-N 0 2 248.326 2.652 20 0 BFADLN CCC[C@@H]1CCCN(c2[nH+]cccc2C(=O)[O-])C1 ZINC000647451687 385037257 /nfs/dbraw/zinc/03/72/57/385037257.db2.gz DWUGFKJNIDNZFW-LLVKDONJSA-N 0 2 248.326 2.796 20 0 BFADLN CCOc1cccc([C@H](C)[NH2+]Cc2c[nH]cn2)c1 ZINC000171133034 385469609 /nfs/dbraw/zinc/46/96/09/385469609.db2.gz ZMNMQIBCAQIIPO-NSHDSACASA-N 0 2 245.326 2.659 20 0 BFADLN CC(C)CONC(=O)C(C)(C)c1cccs1 ZINC000269663803 385621404 /nfs/dbraw/zinc/62/14/04/385621404.db2.gz HSWNURQNEUWRMS-UHFFFAOYSA-N 0 2 241.356 2.730 20 0 BFADLN CC/C=C/CCSc1n[n-]c(=[NH2+])n1C(C)C ZINC000336654320 385723155 /nfs/dbraw/zinc/72/31/55/385723155.db2.gz GQUDKVNWHOCNDA-AATRIKPKSA-N 0 2 240.376 2.720 20 0 BFADLN C[C@H](CSCc1cnn[nH]1)c1ccccc1 ZINC000295314010 386011531 /nfs/dbraw/zinc/01/15/31/386011531.db2.gz LAXUWEUDHZIEIA-SNVBAGLBSA-N 0 2 233.340 2.842 20 0 BFADLN CCONC(=O)C(CC)(CC)c1ccccc1 ZINC000266595395 386454424 /nfs/dbraw/zinc/45/44/24/386454424.db2.gz UDRDPXRGRFXYNP-UHFFFAOYSA-N 0 2 235.327 2.812 20 0 BFADLN CC[C@H]([NH2+]Cc1n[nH]cc1C)c1c(C)noc1C ZINC000352835174 386680061 /nfs/dbraw/zinc/68/00/61/386680061.db2.gz KGAURECRIPMDLB-NSHDSACASA-N 0 2 248.330 2.564 20 0 BFADLN CC[C@](C)([NH2+]CCCCC(=O)[O-])C(F)(F)F ZINC000519025364 386987590 /nfs/dbraw/zinc/98/75/90/386987590.db2.gz QMEPLBFCBZNOKF-VIFPVBQESA-N 0 2 241.253 2.562 20 0 BFADLN Cc1cc(=NC(=O)[C@@H](C)CC(C)(C)C)[nH]nc1C ZINC000361854443 387544706 /nfs/dbraw/zinc/54/47/06/387544706.db2.gz SNHNNZJKEVLSOH-JTQLQIEISA-N 0 2 249.358 2.526 20 0 BFADLN Cc1ccc2c(c1)[C@@H](N=c1[nH]ncs1)[C@H](C)C2 ZINC000450431630 387729768 /nfs/dbraw/zinc/72/97/68/387729768.db2.gz AOZDSIWDPXRKTO-SKDRFNHKSA-N 0 2 245.351 2.614 20 0 BFADLN CCC(F)(F)C(C)(C)CNc1nc(C)ns1 ZINC000528182960 387873013 /nfs/dbraw/zinc/87/30/13/387873013.db2.gz UHTVPUOPHZIWAM-UHFFFAOYSA-N 0 2 249.330 2.752 20 0 BFADLN CC(C)[C@@]1(C)C[C@@H]1Nc1nc(C2CC2)ns1 ZINC000397243039 388456151 /nfs/dbraw/zinc/45/61/51/388456151.db2.gz SKEMHUNYPZYIJH-JOYOIKCWSA-N 0 2 237.372 2.684 20 0 BFADLN Cc1nsc(NC2CC(C(C)(C)C)C2)n1 ZINC000338736461 388476838 /nfs/dbraw/zinc/47/68/38/388476838.db2.gz KJYMFIBQIWBERB-UHFFFAOYSA-N 0 2 225.361 2.505 20 0 BFADLN CC(C)(C)c1nc(=N[C@H]2CCC[C@H]2F)s[nH]1 ZINC000338845322 388478725 /nfs/dbraw/zinc/47/87/25/388478725.db2.gz SNDXCTQVGRIFPX-SFYZADRCSA-N 0 2 243.351 2.560 20 0 BFADLN Cc1n[nH]c(=NCCC(C)(C)C2CC2)s1 ZINC000336888908 388430937 /nfs/dbraw/zinc/43/09/37/388430937.db2.gz KXFQGBOEGWUIPX-UHFFFAOYSA-N 0 2 225.361 2.507 20 0 BFADLN CCC[C@H](CC(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000308086694 388431391 /nfs/dbraw/zinc/43/13/91/388431391.db2.gz IYBNIACIMCWTRG-SNVBAGLBSA-N 0 2 238.335 2.514 20 0 BFADLN C[C@@H]1CC[C@H]1Nc1nc(-c2ccccc2)ns1 ZINC000553319088 388763746 /nfs/dbraw/zinc/76/37/46/388763746.db2.gz RDKFYRXZZBSQMQ-MWLCHTKSSA-N 0 2 245.351 2.837 20 0 BFADLN Cc1ccc(NC2CCC(C(=O)[O-])CC2)c(C)[nH+]1 ZINC000261590352 135231300 /nfs/dbraw/zinc/23/13/00/135231300.db2.gz WXUDEJVMDUHGEV-UHFFFAOYSA-N 0 2 248.326 2.754 20 0 BFADLN O=C([O-])c1cccc(N[C@H](C2CC2)C2CCC2)[nH+]1 ZINC000263374074 135350743 /nfs/dbraw/zinc/35/07/43/135350743.db2.gz ZRIABPBDIDNOKV-ZDUSSCGKSA-N 0 2 246.310 2.770 20 0 BFADLN CCCC[C@H](C)N(C)c1ccc(C(=O)[O-])c[nH+]1 ZINC000383774530 398038302 /nfs/dbraw/zinc/03/83/02/398038302.db2.gz NXNQNYUYUYIRAE-JTQLQIEISA-N 0 2 236.315 2.795 20 0 BFADLN CC(F)(F)CCCNc1[nH+]cccc1C(=O)[O-] ZINC000389605499 398115851 /nfs/dbraw/zinc/11/58/51/398115851.db2.gz BHFXIYWKGVPXQN-UHFFFAOYSA-N 0 2 244.241 2.627 20 0 BFADLN C=CC[C@@H](CC)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000393776475 487581372 /nfs/dbraw/zinc/58/13/72/487581372.db2.gz NKBXIQRWYUZBJO-SNVBAGLBSA-N 0 2 220.272 2.546 20 0 BFADLN CC(C)[C@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650769509 410419128 /nfs/dbraw/zinc/41/91/28/410419128.db2.gz YTYHGZHUPCAJCM-NSHDSACASA-N 0 2 248.326 2.652 20 0 BFADLN C[C@@H]1CC2(CCC2)CN1c1cc[nH+]c(C(=O)[O-])c1 ZINC000650768811 410419946 /nfs/dbraw/zinc/41/99/46/410419946.db2.gz HGUPGLOSJOATJL-SNVBAGLBSA-N 0 2 246.310 2.549 20 0 BFADLN CCCC1=NN(C2CCCCC2)C(=O)C1 ZINC000103757557 410914103 /nfs/dbraw/zinc/91/41/03/410914103.db2.gz LLIHIEFCLIORIJ-UHFFFAOYSA-N 0 2 208.305 2.708 20 0 BFADLN CC(C)[C@@H](C)CN=c1[nH]nc(C2CC2)s1 ZINC000336761919 167357335 /nfs/dbraw/zinc/35/73/35/167357335.db2.gz NUYBHUBMDSCIMD-QMMMGPOBSA-N 0 2 225.361 2.541 20 0 BFADLN C=CCCC[C@@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000398190941 410946753 /nfs/dbraw/zinc/94/67/53/410946753.db2.gz WXMXBLBBBFQSRO-SNVBAGLBSA-N 0 2 234.299 2.937 20 0 BFADLN CC[C@H](C)[C@H](C)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000042559527 411017379 /nfs/dbraw/zinc/01/73/79/411017379.db2.gz WOIPHHJBHAROEB-IUCAKERBSA-N 0 2 222.288 2.626 20 0 BFADLN CCCOCc1nc(=O)c2sc(C)cc2[nH]1 ZINC000656490652 411285811 /nfs/dbraw/zinc/28/58/11/411285811.db2.gz DNUKPJNTHLTENI-UHFFFAOYSA-N 0 2 238.312 2.632 20 0 BFADLN CC[C@H](C)[C@H](C)Nc1ccc(C(=O)[O-])c[nH+]1 ZINC000042559491 171391334 /nfs/dbraw/zinc/39/13/34/171391334.db2.gz OPAGHUPLUTZCTI-IUCAKERBSA-N 0 2 222.288 2.626 20 0 BFADLN CC[C@@H](C)CCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000662883599 412334796 /nfs/dbraw/zinc/33/47/96/412334796.db2.gz NEHHMBRARQHBLT-SECBINFHSA-N 0 2 222.288 2.628 20 0 BFADLN O=C([O-])c1cccc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000662887086 412336051 /nfs/dbraw/zinc/33/60/51/412336051.db2.gz SSXMHUAJXYBOHJ-VWYCJHECSA-N 0 2 246.310 2.628 20 0 BFADLN C[C@@H]1CC[C@H](CN=c2[nH]nc(C3CC3)s2)C1 ZINC000336780767 176225053 /nfs/dbraw/zinc/22/50/53/176225053.db2.gz SAKOAWQGDOVEDR-BDAKNGLRSA-N 0 2 237.372 2.686 20 0 BFADLN CC(NC(=O)c1ccc(F)cn1)C1CCCC1 ZINC000182710540 176817753 /nfs/dbraw/zinc/81/77/53/176817753.db2.gz OTZMBVXKFZQOQA-VIFPVBQESA-N 0 2 236.290 2.529 20 0 BFADLN C[C@H]1CC[C@H](CN=c2[nH]nc(C3CC3)s2)C1 ZINC000336780769 177201972 /nfs/dbraw/zinc/20/19/72/177201972.db2.gz SAKOAWQGDOVEDR-IUCAKERBSA-N 0 2 237.372 2.686 20 0 BFADLN CC[C@H]1CCCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000079350839 487638061 /nfs/dbraw/zinc/63/80/61/487638061.db2.gz SDMCMOZQHMVCJL-NSHDSACASA-N 0 2 248.326 2.796 20 0 BFADLN CCC1(CNc2ccc(C(=O)[O-])c[nH+]2)CCC1 ZINC000232946414 487672879 /nfs/dbraw/zinc/67/28/79/487672879.db2.gz UQBLPWXEYNVQRY-UHFFFAOYSA-N 0 2 234.299 2.772 20 0 BFADLN CCOc1ccc(N2N=C(CC)[C@H](C)C2=O)cc1 ZINC000233804711 487743608 /nfs/dbraw/zinc/74/36/08/487743608.db2.gz OTMWRXHNZJRDBP-JTQLQIEISA-N 0 2 246.310 2.834 20 0 BFADLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C(C)(C)C ZINC000810408329 586538660 /nfs/dbraw/zinc/53/86/60/586538660.db2.gz CYZHXYZWCGBBGI-NKWVEPMBSA-N 0 2 243.244 2.685 20 0 BFADLN C[C@@H](CNC(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810408329 586538661 /nfs/dbraw/zinc/53/86/61/586538661.db2.gz CYZHXYZWCGBBGI-NKWVEPMBSA-N 0 2 243.244 2.685 20 0 BFADLN CC[C@H](N=c1[nH]nc(C)s1)[C@@H]1CC1(C)C ZINC000397789820 323096414 /nfs/dbraw/zinc/09/64/14/323096414.db2.gz ZHAGQWLNJLCYKQ-IUCAKERBSA-N 0 2 225.361 2.505 20 0 BFADLN CC(C)c1nsc(N[C@H]2CCC[C@H](F)C2)n1 ZINC000571555939 323147758 /nfs/dbraw/zinc/14/77/58/323147758.db2.gz FBPUOSCWMPGGSN-IUCAKERBSA-N 0 2 243.351 2.776 20 0 BFADLN C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H](C)C1 ZINC000667694839 488090565 /nfs/dbraw/zinc/09/05/65/488090565.db2.gz AGRAVXBSQOMCBE-STQMWFEESA-N 0 2 247.386 2.697 20 0 BFADLN O=C([O-])c1ccc(NC2CCCCC2)[nH+]c1 ZINC000019844539 487501488 /nfs/dbraw/zinc/50/14/88/487501488.db2.gz VIAFGZSRLFMNCC-UHFFFAOYSA-N 0 2 220.272 2.524 20 0 BFADLN CCc1ccc[nH+]c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679151988 488313734 /nfs/dbraw/zinc/31/37/34/488313734.db2.gz WYRVVUPLQTXSED-YPMHNXCESA-N 0 2 233.359 2.539 20 0 BFADLN CC(C)c1nsc(NC2CC(C)(C)C2)n1 ZINC000395236444 490329145 /nfs/dbraw/zinc/32/91/45/490329145.db2.gz WUIKIUOOYZSKNW-UHFFFAOYSA-N 0 2 225.361 2.684 20 0 BFADLN O=c1nc([C@H]2CCCS2)[nH]c2ccsc21 ZINC000129502704 491113291 /nfs/dbraw/zinc/11/32/91/491113291.db2.gz YRYYIDHGMGHTKK-SSDOTTSWSA-N 0 2 238.337 2.553 20 0 BFADLN CC[C@@H](C)Oc1ccc([NH2+][C@H](C)C(=O)[O-])cc1 ZINC000737783608 583879421 /nfs/dbraw/zinc/87/94/21/583879421.db2.gz YDQUQPYTAPAPGY-NXEZZACHSA-N 0 2 237.299 2.749 20 0 BFADLN O=C(NOc1ccc(F)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000898576326 584143439 /nfs/dbraw/zinc/14/34/39/584143439.db2.gz MCILWUQXPUPIRS-HZMBPMFUSA-N 0 2 249.285 2.816 20 0 BFADLN O=C1CC(CC2CC2)=NN1c1ccc(Cl)cn1 ZINC000899349212 584202167 /nfs/dbraw/zinc/20/21/67/584202167.db2.gz YCPXRXJWTNRLLK-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=c1cc(CC2CC2)[nH]n1-c1ccc(Cl)cn1 ZINC000899349212 584202169 /nfs/dbraw/zinc/20/21/69/584202169.db2.gz YCPXRXJWTNRLLK-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN CC[C@H]([NH2+]c1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC000901716948 584487682 /nfs/dbraw/zinc/48/76/82/584487682.db2.gz LRAAAGQSBRBMRC-ZDUSSCGKSA-N 0 2 249.310 2.751 20 0 BFADLN C[C@@H]1CCC[C@@H]1[NH2+]c1ccc(OCC(=O)[O-])cc1 ZINC000901718051 584488280 /nfs/dbraw/zinc/48/82/80/584488280.db2.gz YERIUVSINHRJPC-MFKMUULPSA-N 0 2 249.310 2.751 20 0 BFADLN CCOc1ccc([NH2+][C@H](C)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000902051405 584517881 /nfs/dbraw/zinc/51/78/81/584517881.db2.gz ILZOUEZXZJDPTK-OASPWFOLSA-N 0 2 249.310 2.606 20 0 BFADLN CCOc1ccc([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000902051402 584517938 /nfs/dbraw/zinc/51/79/38/584517938.db2.gz ILZOUEZXZJDPTK-ICCXJUOJSA-N 0 2 249.310 2.606 20 0 BFADLN COc1ccc([NH2+]C2CC(C)(C(=O)[O-])C2)c(C)c1 ZINC000902101588 584522911 /nfs/dbraw/zinc/52/29/11/584522911.db2.gz RLMBQDXRQRVITI-UHFFFAOYSA-N 0 2 249.310 2.669 20 0 BFADLN C[C@H]1C[C@@H](Nc2cccc(C3CC3)[nH+]2)CC[N@H+]1C ZINC000903267533 584741522 /nfs/dbraw/zinc/74/15/22/584741522.db2.gz CPQHOQFVFFHNAF-AAEUAGOBSA-N 0 2 245.370 2.854 20 0 BFADLN C[C@@H]1C[C@@H](Nc2cccc(C3CC3)[nH+]2)CC[N@H+]1C ZINC000903267536 584741605 /nfs/dbraw/zinc/74/16/05/584741605.db2.gz CPQHOQFVFFHNAF-YPMHNXCESA-N 0 2 245.370 2.854 20 0 BFADLN CC(C)([NH2+]Cc1ccc(C(=O)[O-])s1)C(F)F ZINC000903687169 584788827 /nfs/dbraw/zinc/78/88/27/584788827.db2.gz ZWEICDUIESNIDI-UHFFFAOYSA-N 0 2 249.282 2.580 20 0 BFADLN CCCC[NH2+]c1ccc(OCC(=O)[O-])cc1C ZINC000829402547 584907266 /nfs/dbraw/zinc/90/72/66/584907266.db2.gz XEJSTISHOZVGFL-UHFFFAOYSA-N 0 2 237.299 2.670 20 0 BFADLN Cc1ccoc1CC(=O)NOC1CCCCC1 ZINC000832553350 584911874 /nfs/dbraw/zinc/91/18/74/584911874.db2.gz OMFNAALBKKARHB-UHFFFAOYSA-N 0 2 237.299 2.511 20 0 BFADLN C[C@@H]1CCC(C)(C)N1C(=O)[C@H](F)C(F)(F)F ZINC000839432882 585103834 /nfs/dbraw/zinc/10/38/34/585103834.db2.gz CFZQNTAGGJJTBH-RQJHMYQMSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@@H]1CCC(C)(C)N1C(=O)C(F)C(F)(F)F ZINC000839432882 585103835 /nfs/dbraw/zinc/10/38/35/585103835.db2.gz CFZQNTAGGJJTBH-RQJHMYQMSA-N 0 2 241.228 2.676 20 0 BFADLN C[C@H](C(=O)NOCc1ccccc1)c1ccco1 ZINC000741663933 585116235 /nfs/dbraw/zinc/11/62/35/585116235.db2.gz YFXYHWNZOBPISM-NSHDSACASA-N 0 2 245.278 2.631 20 0 BFADLN CCc1noc(-c2cccc(Cl)c2O)n1 ZINC000758279795 585353146 /nfs/dbraw/zinc/35/31/46/585353146.db2.gz ZJSRMPDPVSCLHL-UHFFFAOYSA-N 0 2 224.647 2.658 20 0 BFADLN O=C([C@@H](F)C(F)(F)F)N1CCCCCCC1 ZINC000764039468 585458992 /nfs/dbraw/zinc/45/89/92/585458992.db2.gz AKZJNNYTZNKIEN-MRVPVSSYSA-N 0 2 241.228 2.680 20 0 BFADLN O=C(C(F)C(F)(F)F)N1CCCCCCC1 ZINC000764039468 585458993 /nfs/dbraw/zinc/45/89/93/585458993.db2.gz AKZJNNYTZNKIEN-MRVPVSSYSA-N 0 2 241.228 2.680 20 0 BFADLN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC000764175475 585460971 /nfs/dbraw/zinc/46/09/71/585460971.db2.gz XBLRVTWRIHRGDH-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@@H]1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000764175475 585460972 /nfs/dbraw/zinc/46/09/72/585460972.db2.gz XBLRVTWRIHRGDH-BWZBUEFSSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H](N(C)C(=O)[C@@H](F)C(F)(F)F)C1(C)CC1 ZINC000764611992 585468847 /nfs/dbraw/zinc/46/88/47/585468847.db2.gz YZCBRICOEDJZDO-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@H](N(C)C(=O)C(F)C(F)(F)F)C1(C)CC1 ZINC000764611992 585468848 /nfs/dbraw/zinc/46/88/48/585468848.db2.gz YZCBRICOEDJZDO-NKWVEPMBSA-N 0 2 241.228 2.534 20 0 BFADLN O=C(NCC1CCC1)c1cccc(Cl)c1O ZINC000775658585 585682219 /nfs/dbraw/zinc/68/22/19/585682219.db2.gz NIADVQBLCUFLHX-UHFFFAOYSA-N 0 2 239.702 2.576 20 0 BFADLN CCC(C)(C)NC(=O)c1cccc(Cl)c1O ZINC000775651122 585682262 /nfs/dbraw/zinc/68/22/62/585682262.db2.gz ZSDFLPHYAIJLGA-UHFFFAOYSA-N 0 2 241.718 2.964 20 0 BFADLN CC[C@@H](SC)C(=O)NOC1CCCCC1 ZINC000777962325 585724609 /nfs/dbraw/zinc/72/46/09/585724609.db2.gz DBFHBFAYFUZWFM-SNVBAGLBSA-N 0 2 231.361 2.509 20 0 BFADLN CCC[C@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000788282907 585919806 /nfs/dbraw/zinc/91/98/06/585919806.db2.gz UIXGIIKQNNESOE-NKWVEPMBSA-N 0 2 229.217 2.534 20 0 BFADLN CCC[C@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000788282907 585919807 /nfs/dbraw/zinc/91/98/07/585919807.db2.gz UIXGIIKQNNESOE-NKWVEPMBSA-N 0 2 229.217 2.534 20 0 BFADLN CCC[C@@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000788282909 585920046 /nfs/dbraw/zinc/92/00/46/585920046.db2.gz UIXGIIKQNNESOE-RNFRBKRXSA-N 0 2 229.217 2.534 20 0 BFADLN CCC[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC000788282909 585920047 /nfs/dbraw/zinc/92/00/47/585920047.db2.gz UIXGIIKQNNESOE-RNFRBKRXSA-N 0 2 229.217 2.534 20 0 BFADLN CC1(C)C[C@@H]1NC(=O)c1cccc(Cl)c1O ZINC000839815151 585996401 /nfs/dbraw/zinc/99/64/01/585996401.db2.gz ZBAGKBFHSLGCTG-VIFPVBQESA-N 0 2 239.702 2.574 20 0 BFADLN CC[C@H](C)CONC(=O)CSC(C)(C)C ZINC000794848598 586050740 /nfs/dbraw/zinc/05/07/40/586050740.db2.gz CIXYIEGZNHDGOL-VIFPVBQESA-N 0 2 233.377 2.612 20 0 BFADLN C[C@H](N(C)C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C ZINC000810062572 586533361 /nfs/dbraw/zinc/53/33/61/586533361.db2.gz GMUFIWCHXVLGTQ-NKWVEPMBSA-N 0 2 243.244 2.780 20 0 BFADLN C[C@H](N(C)C(=O)C(F)C(F)(F)F)C(C)(C)C ZINC000810062572 586533362 /nfs/dbraw/zinc/53/33/62/586533362.db2.gz GMUFIWCHXVLGTQ-NKWVEPMBSA-N 0 2 243.244 2.780 20 0 BFADLN C[C@H]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000810369564 586538564 /nfs/dbraw/zinc/53/85/64/586538564.db2.gz TUDGNRORKYPQQV-FXQIFTODSA-N 0 2 241.228 2.582 20 0 BFADLN C[C@H]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC000810369564 586538565 /nfs/dbraw/zinc/53/85/65/586538565.db2.gz TUDGNRORKYPQQV-FXQIFTODSA-N 0 2 241.228 2.582 20 0 BFADLN CC1(C)CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000810395488 586538842 /nfs/dbraw/zinc/53/88/42/586538842.db2.gz CQUSUKYIWYKKKQ-ZETCQYMHSA-N 0 2 241.228 2.535 20 0 BFADLN CC1(C)CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000810395488 586538843 /nfs/dbraw/zinc/53/88/43/586538843.db2.gz CQUSUKYIWYKKKQ-ZETCQYMHSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@H]1CCCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000810405308 586538897 /nfs/dbraw/zinc/53/88/97/586538897.db2.gz UYVZWFVUZIBMPK-JGVFFNPUSA-N 0 2 241.228 2.678 20 0 BFADLN C[C@H]1CCCCCN1C(=O)C(F)C(F)(F)F ZINC000810405308 586538898 /nfs/dbraw/zinc/53/88/98/586538898.db2.gz UYVZWFVUZIBMPK-JGVFFNPUSA-N 0 2 241.228 2.678 20 0 BFADLN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](F)C(F)(F)F ZINC000810464197 586539533 /nfs/dbraw/zinc/53/95/33/586539533.db2.gz VCIBJKFEKGNVRK-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1C[C@@H](C)CN1C(=O)C(F)C(F)(F)F ZINC000810464197 586539534 /nfs/dbraw/zinc/53/95/34/586539534.db2.gz VCIBJKFEKGNVRK-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](F)C(F)(F)F ZINC000810464198 586539593 /nfs/dbraw/zinc/53/95/93/586539593.db2.gz VCIBJKFEKGNVRK-RNJXMRFFSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1C[C@H](C)CN1C(=O)C(F)C(F)(F)F ZINC000810464198 586539594 /nfs/dbraw/zinc/53/95/94/586539594.db2.gz VCIBJKFEKGNVRK-RNJXMRFFSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CC[C@H](C)N(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000810460272 586539676 /nfs/dbraw/zinc/53/96/76/586539676.db2.gz VUJRXGLORAMSIN-CSMHCCOUSA-N 0 2 241.228 2.534 20 0 BFADLN C[C@@H]1CC[C@H](C)N(C(=O)C(F)C(F)(F)F)C1 ZINC000810460272 586539677 /nfs/dbraw/zinc/53/96/77/586539677.db2.gz VUJRXGLORAMSIN-CSMHCCOUSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)N(CC1CC1)C(=O)[C@H](F)C(F)(F)F ZINC000815003121 586663906 /nfs/dbraw/zinc/66/39/06/586663906.db2.gz FXLVWGCPTPNZEJ-QMMMGPOBSA-N 0 2 241.228 2.534 20 0 BFADLN CC(C)N(CC1CC1)C(=O)C(F)C(F)(F)F ZINC000815003121 586663907 /nfs/dbraw/zinc/66/39/07/586663907.db2.gz FXLVWGCPTPNZEJ-QMMMGPOBSA-N 0 2 241.228 2.534 20 0 BFADLN CCC(C)(C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000815656952 586690770 /nfs/dbraw/zinc/69/07/70/586690770.db2.gz KFOVRVGVJYSSMO-ZCFIWIBFSA-N 0 2 229.217 2.534 20 0 BFADLN CCC(C)(C)N(C)C(=O)C(F)C(F)(F)F ZINC000815656952 586690771 /nfs/dbraw/zinc/69/07/71/586690771.db2.gz KFOVRVGVJYSSMO-ZCFIWIBFSA-N 0 2 229.217 2.534 20 0 BFADLN Cc1ccc(C2(C(=O)NOC(C)C)CCC2)cc1 ZINC000819555329 586976524 /nfs/dbraw/zinc/97/65/24/586976524.db2.gz BDSNXYAHUMXURQ-UHFFFAOYSA-N 0 2 247.338 2.873 20 0 BFADLN CCOc1cc(C)ccc1[NH2+][C@H](C)CC(=O)[O-] ZINC000820383331 587045258 /nfs/dbraw/zinc/04/52/58/587045258.db2.gz WLZUYWDAZQXDJF-SNVBAGLBSA-N 0 2 237.299 2.669 20 0 BFADLN O=C(Cc1cc2ccccc2o1)NOC1CCC1 ZINC000836798104 587837114 /nfs/dbraw/zinc/83/71/14/587837114.db2.gz HGHVEYFJOQRFJD-UHFFFAOYSA-N 0 2 245.278 2.576 20 0 BFADLN O=C1CC(c2cccc(Cl)c2)=NN1CC1CC1 ZINC000841487640 587956487 /nfs/dbraw/zinc/95/64/87/587956487.db2.gz RDCWHMUQPKIRDE-UHFFFAOYSA-N 0 2 248.713 2.686 20 0 BFADLN O=c1cc(-c2cccc(Cl)c2)[nH]n1CC1CC1 ZINC000841487640 587956489 /nfs/dbraw/zinc/95/64/89/587956489.db2.gz RDCWHMUQPKIRDE-UHFFFAOYSA-N 0 2 248.713 2.686 20 0 BFADLN CCCONC(=O)C1(c2ccccc2)CCC1 ZINC000844083697 588162609 /nfs/dbraw/zinc/16/26/09/588162609.db2.gz RDFPYFZHPOTPNW-UHFFFAOYSA-N 0 2 233.311 2.566 20 0 BFADLN O=C(NCc1cscc1Cl)C(F)(F)F ZINC000885483884 588374276 /nfs/dbraw/zinc/37/42/76/588374276.db2.gz ZJYDILMAINBWOA-UHFFFAOYSA-N 0 2 243.637 2.580 20 0 BFADLN O=c1c2c([nH]n1CC1CCCCC1)CCCC2 ZINC000863851435 589323106 /nfs/dbraw/zinc/32/31/06/589323106.db2.gz SOALPIDJMHQHQA-GFCCVEGCSA-N 0 2 234.343 2.955 20 0 BFADLN CC1(c2cc(=O)n(-c3cccc(Cl)n3)[nH]2)CC1 ZINC000871950592 589840269 /nfs/dbraw/zinc/84/02/69/589840269.db2.gz HNUDGQMMCIZCPK-UHFFFAOYSA-N 0 2 249.701 2.628 20 0 BFADLN O=C(NCc1cccc(Cl)c1)C(F)(F)F ZINC000021310632 590176208 /nfs/dbraw/zinc/17/62/08/590176208.db2.gz XTLQKDIRAQQXGR-UHFFFAOYSA-N 0 2 237.608 2.519 20 0 BFADLN Cc1[nH]ncc1C[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886305530 592203425 /nfs/dbraw/zinc/20/34/25/592203425.db2.gz JRCGHNMKKHJVAG-OCCSQVGLSA-N 0 2 233.359 2.586 20 0 BFADLN C[N@@H+](Cc1ccoc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000042448387 600818639 /nfs/dbraw/zinc/81/86/39/600818639.db2.gz XMXKIPKXJOQUCX-CYBMUJFWSA-N 0 2 245.278 2.537 20 0 BFADLN C[N@H+](Cc1ccoc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000042448387 600818635 /nfs/dbraw/zinc/81/86/35/600818635.db2.gz XMXKIPKXJOQUCX-CYBMUJFWSA-N 0 2 245.278 2.537 20 0 BFADLN O=C([O-])c1ccc(N2CCC3(CCC3)CC2)[nH+]c1 ZINC000308434920 631330573 /nfs/dbraw/zinc/33/05/73/631330573.db2.gz LEQMQNVUEZFCQR-UHFFFAOYSA-N 0 2 246.310 2.550 20 0 BFADLN Cc1[nH]ncc1C[N@H+](C)CCc1cccc(F)c1 ZINC000931414927 640186012 /nfs/dbraw/zinc/18/60/12/640186012.db2.gz GXBNSJZYSFJZAO-UHFFFAOYSA-N 0 2 247.317 2.532 20 0 BFADLN Cc1n[nH]c(NC(=O)C(C)(C)CC(C)(C)C)n1 ZINC000931906636 640387676 /nfs/dbraw/zinc/38/76/76/640387676.db2.gz XJEWJHYRRUAPPY-UHFFFAOYSA-N 0 2 238.335 2.514 20 0 BFADLN O=C(/C=C/c1ncc[nH]1)c1cc(Cl)ccc1O ZINC000080727415 644283309 /nfs/dbraw/zinc/28/33/09/644283309.db2.gz PIKUAQLZNFZOFE-ONEGZZNKSA-N 0 2 248.669 2.665 20 0 BFADLN C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000764457872 644657911 /nfs/dbraw/zinc/65/79/11/644657911.db2.gz SUQQRCOVKFXAPA-HTQZYQBOSA-N 0 2 241.228 2.535 20 0 BFADLN C[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000764457872 644657920 /nfs/dbraw/zinc/65/79/20/644657920.db2.gz SUQQRCOVKFXAPA-HTQZYQBOSA-N 0 2 241.228 2.535 20 0 BFADLN Cc1cnc(-c2cc(F)c(O)c(Cl)c2)nc1 ZINC001250496720 967973703 /nfs/dbraw/zinc/97/37/03/967973703.db2.gz ZERBCUQXGCRXAE-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN CC(C)(C)CCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000130086834 958727607 /nfs/dbraw/zinc/72/76/07/958727607.db2.gz SUMZYMBKBHZWPG-UHFFFAOYSA-N 0 2 222.288 2.628 20 0 BFADLN COc1nonc1Nc1cc(F)ccc1Cl ZINC001216477137 958968280 /nfs/dbraw/zinc/96/82/80/958968280.db2.gz RABAUGDQMRWBIQ-UHFFFAOYSA-N 0 2 243.625 2.614 20 0 BFADLN CCCCCC[C@@H](C)C(=O)Nc1nc(C)n[nH]1 ZINC000173521860 960355895 /nfs/dbraw/zinc/35/58/95/960355895.db2.gz YRCUCRGMWNLDHU-SECBINFHSA-N 0 2 238.335 2.658 20 0 BFADLN Cc1cc(C)nc(-c2c(F)ccc(C)c2O)n1 ZINC001236389968 966399577 /nfs/dbraw/zinc/39/95/77/966399577.db2.gz HIJKWXNSIFERKC-UHFFFAOYSA-N 0 2 232.258 2.914 20 0 BFADLN Oc1c(Cl)ccc(-c2ncc(F)cn2)c1F ZINC001250477518 967915713 /nfs/dbraw/zinc/91/57/13/967915713.db2.gz OLUPAVGUNOZGMQ-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN CCCC[C@@H](O)CNc1ccc(S)cc1 ZINC001252097135 968576273 /nfs/dbraw/zinc/57/62/73/968576273.db2.gz NCYOXVCJZGDXPY-LLVKDONJSA-N 0 2 225.357 2.938 20 0 BFADLN Cc1cc(-c2cccc(S)c2)n(C)n1 ZINC001240859001 968773885 /nfs/dbraw/zinc/77/38/85/968773885.db2.gz YAEADHMJLNFXAK-UHFFFAOYSA-N 0 2 204.298 2.684 20 0 BFADLN [NH3+]Cc1ccn(-c2cc([S-])cc(S)c2)c1 ZINC001169725475 969817010 /nfs/dbraw/zinc/81/70/10/969817010.db2.gz HXCWRVJJEYIXOH-UHFFFAOYSA-N 0 2 236.365 2.513 20 0 BFADLN NC(=S)c1ccnc(-c2cccc(S)c2)c1 ZINC001242864217 970107892 /nfs/dbraw/zinc/10/78/92/970107892.db2.gz GQRCKRCFKITKGM-UHFFFAOYSA-N 0 2 246.360 2.672 20 0 BFADLN Cn1c[nH+]cc1-c1cc(F)ccc1[S-] ZINC001243070382 970264094 /nfs/dbraw/zinc/26/40/94/970264094.db2.gz TZMOFJAKTJMFPS-UHFFFAOYSA-N 0 2 208.261 2.515 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001222685606 972636259 /nfs/dbraw/zinc/63/62/59/972636259.db2.gz KPCBKKHWNUZNOL-NXOFHUPFSA-N 0 2 243.306 2.679 20 0 BFADLN C[C@H]1CC[C@H](Oc2nc(Cl)cc(=O)[nH]2)CC1 ZINC001225564349 974557217 /nfs/dbraw/zinc/55/72/17/974557217.db2.gz YYDGDRTVNLDFGK-ZKCHVHJHSA-N 0 2 242.706 2.793 20 0 BFADLN C[C@@H]1CC[C@@H](C)[C@H](Oc2nc(=O)[nH]cc2F)C1 ZINC001225881202 974711304 /nfs/dbraw/zinc/71/13/04/974711304.db2.gz FWCSRKNRGHCEEM-NQMVMOMDSA-N 0 2 240.278 2.525 20 0 BFADLN C[C@H]1CC(Oc2nc(=O)[nH]cc2F)C[C@H](C)C1 ZINC001225880853 974711525 /nfs/dbraw/zinc/71/15/25/974711525.db2.gz BHNISTSLWYGYOU-HTQZYQBOSA-N 0 2 240.278 2.525 20 0 BFADLN C[C@@H]1CC(Oc2nc(=O)[nH]cc2F)C[C@@H](C)C1 ZINC001225880857 974711660 /nfs/dbraw/zinc/71/16/60/974711660.db2.gz BHNISTSLWYGYOU-YUMQZZPRSA-N 0 2 240.278 2.525 20 0 BFADLN CC[C@H]1CCCC[C@@H]1Oc1nc(=O)[nH]cc1F ZINC001225881077 974712328 /nfs/dbraw/zinc/71/23/28/974712328.db2.gz DQJKCKMXGNKWML-WPRPVWTQSA-N 0 2 240.278 2.669 20 0 BFADLN CC(C)C[C@@H](Oc1nc(=O)[nH]cc1F)C(C)C ZINC001225882266 974714918 /nfs/dbraw/zinc/71/49/18/974714918.db2.gz QRLDKTGGVZAFJH-SNVBAGLBSA-N 0 2 242.294 2.771 20 0 BFADLN CCC[C@H](C)[C@H](CC)Oc1nc(=O)[nH]cc1F ZINC001225884659 974717090 /nfs/dbraw/zinc/71/70/90/974717090.db2.gz HVIDOZNGACGZJO-WPRPVWTQSA-N 0 2 242.294 2.915 20 0 BFADLN CC[C@@H](COC)Oc1cccc(S)c1 ZINC001226016977 974764019 /nfs/dbraw/zinc/76/40/19/974764019.db2.gz WUTXOTDWBJIBTH-VIFPVBQESA-N 0 2 212.314 2.779 20 0 BFADLN Cc1nc(O[C@@H]2CCCC[C@@H]2C)c(F)c(=O)[nH]1 ZINC001226419070 974891027 /nfs/dbraw/zinc/89/10/27/974891027.db2.gz FVENNPDALTUYHA-IONNQARKSA-N 0 2 240.278 2.587 20 0 BFADLN COc1cccc(CSc2nc(C)n[nH]2)c1C ZINC001332285184 975041587 /nfs/dbraw/zinc/04/15/87/975041587.db2.gz QQGYSNLRZFRUBE-UHFFFAOYSA-N 0 2 249.339 2.722 20 0 BFADLN CC[C@H](C)[C@H](C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228011214 975851329 /nfs/dbraw/zinc/85/13/29/975851329.db2.gz YISAAZCOIXJYLW-IUCAKERBSA-N 0 2 247.298 2.544 20 0 BFADLN Cc1cncc(Nc2nnc(-c3ccco3)o2)c1 ZINC001174755535 977054626 /nfs/dbraw/zinc/05/46/26/977054626.db2.gz LQXXGLDAAIJILH-UHFFFAOYSA-N 0 2 242.238 2.777 20 0 BFADLN Cc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)[nH+]1 ZINC001175215695 977330551 /nfs/dbraw/zinc/33/05/51/977330551.db2.gz QLKUCVFXOWJABN-UHFFFAOYSA-N 0 2 246.241 2.971 20 0 BFADLN CC(C)(C)c1nc(Nc2cnn(C3CC3)c2)no1 ZINC001175957756 977822371 /nfs/dbraw/zinc/82/23/71/977822371.db2.gz BALNJDIYWGCUIR-UHFFFAOYSA-N 0 2 247.302 2.642 20 0 BFADLN COc1cc[nH+]cc1Nc1ccc(C(=O)[O-])cc1 ZINC001176122614 977955503 /nfs/dbraw/zinc/95/55/03/977955503.db2.gz DCKMEBWLQHCQAM-UHFFFAOYSA-N 0 2 244.250 2.532 20 0 BFADLN Cc1cc[nH+]c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176707108 978170606 /nfs/dbraw/zinc/17/06/06/978170606.db2.gz GUUOZHAEXOERSU-UHFFFAOYSA-N 0 2 228.251 2.832 20 0 BFADLN O=C(CCn1cccc1)Nc1ccccc1S ZINC001176934924 978246618 /nfs/dbraw/zinc/24/66/18/978246618.db2.gz DYMLSVFFWNLRKP-UHFFFAOYSA-N 0 2 246.335 2.806 20 0 BFADLN Cc1ccc(N(C)[C@H](C)C2(C)CC2)[nH+]c1C(=O)[O-] ZINC001600432136 978691191 /nfs/dbraw/zinc/69/11/91/978691191.db2.gz BQMYMWSBDHBCGY-SNVBAGLBSA-N 0 2 248.326 2.713 20 0 BFADLN CC(C)[C@@H](C)Oc1cc(O)cc2occc(=O)c12 ZINC001233828138 978707267 /nfs/dbraw/zinc/70/72/67/978707267.db2.gz YIKRABRBJFJFOF-SECBINFHSA-N 0 2 248.278 2.922 20 0 BFADLN Cc1cc(=O)c2c(OC(C)C)cc(O)cc2o1 ZINC001234811881 978904949 /nfs/dbraw/zinc/90/49/49/978904949.db2.gz FBLVKTKOLLNXPV-UHFFFAOYSA-N 0 2 234.251 2.594 20 0 BFADLN C[C@@H]1CCC[C@@H](Nc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604717215 979709876 /nfs/dbraw/zinc/70/98/76/979709876.db2.gz QYSWHIKCRWAZQM-ZYHUDNBSSA-N 0 2 248.326 2.699 20 0 BFADLN C[C@H]1CCC[C@H](Nc2cc(CC(=O)[O-])cc[nH+]2)C1 ZINC001604717213 979711439 /nfs/dbraw/zinc/71/14/39/979711439.db2.gz QYSWHIKCRWAZQM-JQWIXIFHSA-N 0 2 248.326 2.699 20 0 BFADLN NC(=O)c1cccc(-c2cccc(S)c2)c1 ZINC001239883910 981017617 /nfs/dbraw/zinc/01/76/17/981017617.db2.gz CRRGASZCZMYFEW-UHFFFAOYSA-N 0 2 229.304 2.741 20 0 BFADLN CN(C(=O)c1cc(F)c(O)cc1F)C(C)(C)C ZINC001192866317 981194587 /nfs/dbraw/zinc/19/45/87/981194587.db2.gz DURJXRAWKVNGII-UHFFFAOYSA-N 0 2 243.253 2.541 20 0 BFADLN Cc1ccc(-c2cc(F)c(O)c(Cl)c2)nn1 ZINC001250521952 981383288 /nfs/dbraw/zinc/38/32/88/981383288.db2.gz RJUXRDCQQWYSIX-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1cc2cnc(-c3cc(F)ccc3O)nc2[nH]1 ZINC001240693136 981597583 /nfs/dbraw/zinc/59/75/83/981597583.db2.gz CTCZELAOYMXHOB-UHFFFAOYSA-N 0 2 243.241 2.730 20 0 BFADLN CCc1ccnc(-c2cc(F)ccc2O)n1 ZINC001240694049 981599946 /nfs/dbraw/zinc/59/99/46/981599946.db2.gz NOVRYTHTXUPGQO-UHFFFAOYSA-N 0 2 218.231 2.551 20 0 BFADLN CCOc1cc(C)nc(-c2cc(F)ccc2O)n1 ZINC001240694695 981602256 /nfs/dbraw/zinc/60/22/56/981602256.db2.gz VNBUUYSYZKHWRT-UHFFFAOYSA-N 0 2 248.257 2.695 20 0 BFADLN CC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)[C@@H]1C ZINC001585516766 981930587 /nfs/dbraw/zinc/93/05/87/981930587.db2.gz NFXHWGSQXRZGCS-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN CC[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1C ZINC001585516766 981930596 /nfs/dbraw/zinc/93/05/96/981930596.db2.gz NFXHWGSQXRZGCS-PRJMDXOYSA-N 0 2 241.228 2.534 20 0 BFADLN Nc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)c[nH+]1 ZINC001241350062 982506161 /nfs/dbraw/zinc/50/61/61/982506161.db2.gz UQXKPICZOOFFIG-UHFFFAOYSA-N 0 2 248.669 2.682 20 0 BFADLN Sc1ccc(-c2cnc3n[nH]cc3c2)cc1 ZINC001241423586 982573988 /nfs/dbraw/zinc/57/39/88/982573988.db2.gz JWZWBEYMCFTTQI-UHFFFAOYSA-N 0 2 227.292 2.914 20 0 BFADLN CN(C)c1nccc(-c2cccc(Cl)c2O)n1 ZINC001242363685 983578360 /nfs/dbraw/zinc/57/83/60/983578360.db2.gz GWLUSAFPFJGVIL-UHFFFAOYSA-N 0 2 249.701 2.569 20 0 BFADLN Oc1c(Cl)cccc1-c1cnc2cc[nH]c2n1 ZINC001242362661 983654036 /nfs/dbraw/zinc/65/40/36/983654036.db2.gz OHSADGYSCJHKMN-UHFFFAOYSA-N 0 2 245.669 2.984 20 0 BFADLN Nc1[nH+]cccc1-c1cccc([S-])c1 ZINC001242863554 984207011 /nfs/dbraw/zinc/20/70/11/984207011.db2.gz DCPVJCDLBUMHNN-UHFFFAOYSA-N 0 2 202.282 2.620 20 0 BFADLN CCn1cccc(-c2cccc(S)c2)c1=O ZINC001242868081 984215823 /nfs/dbraw/zinc/21/58/23/984215823.db2.gz ZDUGONPOBNIYQZ-UHFFFAOYSA-N 0 2 231.320 2.824 20 0 BFADLN Cc1cc(C(=O)[O-])cc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001243177530 984635212 /nfs/dbraw/zinc/63/52/12/984635212.db2.gz KAFBDJQOHLKWCV-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Cc1ccc(-c2ccc(C(=O)[O-])cc2C)[nH+]c1N ZINC001243201553 984688801 /nfs/dbraw/zinc/68/88/01/984688801.db2.gz XTXILQNVSFBLNQ-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN C/C(=C\C=C\[NH3+])c1ccc(C(=O)[O-])cc1C ZINC001243203724 984696785 /nfs/dbraw/zinc/69/67/85/984696785.db2.gz GIYXXLHOVOEXSN-DDEWIXKASA-N 0 2 217.268 2.569 20 0 BFADLN C[C@H]1CC[C@H](Nc2cc(CC(=O)[O-])cc[nH+]2)CC1 ZINC001599909340 984964650 /nfs/dbraw/zinc/96/46/50/984964650.db2.gz XOJYYDOLQQJJQB-UMSPYCQHSA-N 0 2 248.326 2.699 20 0 BFADLN CCc1cncnc1-c1cc(F)cc(F)c1O ZINC001243501143 985052982 /nfs/dbraw/zinc/05/29/82/985052982.db2.gz YPMMFEIESDAXRC-UHFFFAOYSA-N 0 2 236.221 2.690 20 0 BFADLN Oc1c(F)cc(-c2cccc3[nH]nnc32)cc1F ZINC001244096960 985810575 /nfs/dbraw/zinc/81/05/75/985810575.db2.gz LJIZGUOOFPZXQZ-UHFFFAOYSA-N 0 2 247.204 2.609 20 0 BFADLN CCn1cc(Nc2ccccc2S)ccc1=O ZINC001212912557 985920253 /nfs/dbraw/zinc/92/02/53/985920253.db2.gz KEMOMJUAOHNOCC-UHFFFAOYSA-N 0 2 246.335 2.901 20 0 BFADLN CCn1cc(Nc2ccc(S)cc2)ccc1=O ZINC001212913427 985921842 /nfs/dbraw/zinc/92/18/42/985921842.db2.gz FKPMCVDZBWHDBP-UHFFFAOYSA-N 0 2 246.335 2.901 20 0 BFADLN Oc1c(F)cc(-c2cnc(F)cn2)cc1Cl ZINC001244502447 986204508 /nfs/dbraw/zinc/20/45/08/986204508.db2.gz OITAHUFNAXTPQZ-UHFFFAOYSA-N 0 2 242.612 2.781 20 0 BFADLN Cc1ccnnc1-c1cc(F)c(O)c(Cl)c1 ZINC001244501371 986211376 /nfs/dbraw/zinc/21/13/76/986211376.db2.gz UOLVAOZGDSFOEK-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN O=c1occcc1-c1ccc(Cl)c(O)c1F ZINC001244632529 986293525 /nfs/dbraw/zinc/29/35/25/986293525.db2.gz ALKPYHHBMBNNJW-UHFFFAOYSA-N 0 2 240.617 2.805 20 0 BFADLN Cc1cc(-c2ccc[nH+]c2N)cc(C)c1C(=O)[O-] ZINC001244946827 986499244 /nfs/dbraw/zinc/49/92/44/986499244.db2.gz RMSHHPVTYLACQC-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN Cc1cc(-c2ccc(N)[nH+]c2)cc(C)c1C(=O)[O-] ZINC001244946845 986501733 /nfs/dbraw/zinc/50/17/33/986501733.db2.gz KWWUTQCZZANCLR-UHFFFAOYSA-N 0 2 242.278 2.646 20 0 BFADLN C/C(=C\C=C\[NH3+])c1cccc(C(=O)[O-])c1C ZINC001245299350 986785950 /nfs/dbraw/zinc/78/59/50/986785950.db2.gz FJSRRNSXXOYQKV-KBXRYBNXSA-N 0 2 217.268 2.569 20 0 BFADLN Cc1ccnnc1-c1cc(Cl)c(O)cc1F ZINC001245668629 987054598 /nfs/dbraw/zinc/05/45/98/987054598.db2.gz YAWKSWHEWNNKEN-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN Cc1cnc(-c2cc(Cl)c(O)cc2F)cn1 ZINC001245668063 987055730 /nfs/dbraw/zinc/05/57/30/987055730.db2.gz LGCIPCOTWMBCOR-UHFFFAOYSA-N 0 2 238.649 2.950 20 0 BFADLN COc1cccc(C2=NN(CC(C)C)C(=O)C2)c1 ZINC001245917594 987150518 /nfs/dbraw/zinc/15/05/18/987150518.db2.gz LMILVQPTZAILGV-UHFFFAOYSA-N 0 2 246.310 2.920 20 0 BFADLN COc1cccc(-c2cc(=O)n(CC(C)C)[nH]2)c1 ZINC001245917594 987150528 /nfs/dbraw/zinc/15/05/28/987150528.db2.gz LMILVQPTZAILGV-UHFFFAOYSA-N 0 2 246.310 2.920 20 0 BFADLN CC1=NN(CCc2ccccc2Cl)C(=O)C1 ZINC001245927753 987188245 /nfs/dbraw/zinc/18/82/45/987188245.db2.gz FTLNQEPWUZULMW-UHFFFAOYSA-N 0 2 236.702 2.793 20 0 BFADLN CC(C)Cn1[nH]c(-c2ccc(O)cc2)cc1=O ZINC001245941513 987210263 /nfs/dbraw/zinc/21/02/63/987210263.db2.gz NHRDAHVTHLZDLS-UHFFFAOYSA-N 0 2 232.283 2.617 20 0 BFADLN O=c1cc(-c2ccoc2)[nH]n1-c1ccccc1 ZINC001245939771 987210419 /nfs/dbraw/zinc/21/04/19/987210419.db2.gz RLPXVBAZPXSVAD-UHFFFAOYSA-N 0 2 226.235 2.838 20 0 BFADLN O=C1CC(c2ccsc2)=NN1C1CC1 ZINC001245949394 987224438 /nfs/dbraw/zinc/22/44/38/987224438.db2.gz QSVJRAYMHHOUAO-UHFFFAOYSA-N 0 2 206.270 2.652 20 0 BFADLN O=c1cc(-c2ccsc2)[nH]n1C1CC1 ZINC001245949394 987224451 /nfs/dbraw/zinc/22/44/51/987224451.db2.gz QSVJRAYMHHOUAO-UHFFFAOYSA-N 0 2 206.270 2.652 20 0 BFADLN CCC(C)(C)CNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001594801186 987863216 /nfs/dbraw/zinc/86/32/16/987863216.db2.gz GBTIRKJWEPBNGS-UHFFFAOYSA-N 0 2 236.315 2.557 20 0 BFADLN CCn1[nH]c(-c2cc(C)cc(C)c2)cc1=O ZINC000382681577 993466173 /nfs/dbraw/zinc/46/61/73/993466173.db2.gz AKSVNIMBROFKIP-UHFFFAOYSA-N 0 2 216.284 2.892 20 0 BFADLN C[C@@H]([NH2+][C@H](C)C(F)F)c1cc(C(=O)[O-])cs1 ZINC001593199689 994180046 /nfs/dbraw/zinc/18/00/46/994180046.db2.gz YOPZHBIPCOQFJS-PHDIDXHHSA-N 0 2 249.282 2.751 20 0 BFADLN