smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccc1C ZINC000223272087 557454240 /nfs/dbraw/zinc/45/42/40/557454240.db2.gz GAQZVAXNHFURLQ-JWQCQUIFSA-N 1 0 447.652 4.640 40 10 IJCBRO CCc1nc2ccccc2c(=O)n1N[N+](=Nc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000408720716 556148145 /nfs/dbraw/zinc/14/81/45/556148145.db2.gz XNTXBOMPXGZFGQ-UHFFFAOYSA-N 1 0 430.488 4.563 40 10 IJCBRO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991025 556911427 /nfs/dbraw/zinc/91/14/27/556911427.db2.gz PKZSKLOUKYHOJS-NRFANRHFSA-N 1 0 427.545 4.663 40 10 IJCBRO CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223266572 557453156 /nfs/dbraw/zinc/45/31/56/557453156.db2.gz LILRAWQQHHCLQU-DQEYMECFSA-N 1 0 447.652 4.586 40 10 IJCBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000223223786 557447950 /nfs/dbraw/zinc/44/79/50/557447950.db2.gz QHLPIGUCWJLVAQ-RPBOFIJWSA-N 1 0 447.652 4.722 40 10 IJCBRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000223223733 557448044 /nfs/dbraw/zinc/44/80/44/557448044.db2.gz QHLPIGUCWJLVAQ-JWQCQUIFSA-N 1 0 447.652 4.722 40 10 IJCBRO CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223266457 557453181 /nfs/dbraw/zinc/45/31/81/557453181.db2.gz LILRAWQQHHCLQU-RPBOFIJWSA-N 1 0 447.652 4.586 40 10 IJCBRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccc(C)cc1 ZINC000223223978 557447915 /nfs/dbraw/zinc/44/79/15/557447915.db2.gz FJFCEXFJAQCZRJ-JWQCQUIFSA-N 1 0 447.652 4.722 40 10 IJCBRO CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1 ZINC000223266759 557453210 /nfs/dbraw/zinc/45/32/10/557453210.db2.gz CBBKFXFOOGQUPY-LOSJGSFVSA-N 1 0 447.652 4.586 40 10 IJCBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccc1C ZINC000223272144 557454329 /nfs/dbraw/zinc/45/43/29/557454329.db2.gz GAQZVAXNHFURLQ-RPBOFIJWSA-N 1 0 447.652 4.640 40 10 IJCBRO CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CC[NH+](Cc2ccccc2O)CC1 ZINC000072393938 556965069 /nfs/dbraw/zinc/96/50/69/556965069.db2.gz GIRVPKVHJSZSFX-UHFFFAOYSA-N 1 0 438.499 4.574 40 10 IJCBRO CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CC[NH+](Cc2ccccc2O)CC1 ZINC000072393954 556965080 /nfs/dbraw/zinc/96/50/80/556965080.db2.gz AHJCWKPDLRIJCF-UHFFFAOYSA-N 1 0 434.536 4.744 40 10 IJCBRO CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 ZINC000020503744 522210127 /nfs/dbraw/zinc/21/01/27/522210127.db2.gz VEUUVHDNQCONHH-CAOCKLPOSA-N 1 0 435.660 4.501 40 10 biogenic,in-vitro IJCBRO O=C(NCc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044910663 556680659 /nfs/dbraw/zinc/68/06/59/556680659.db2.gz NZAFRSRIKZTFTR-UHFFFAOYSA-N 1 0 426.004 4.859 40 10 IJCBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044910579 556680763 /nfs/dbraw/zinc/68/07/63/556680763.db2.gz RODNXZYCSUILNA-JOCHJYFZSA-N 1 0 426.004 4.859 40 10 IJCBRO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000013139047 557299094 /nfs/dbraw/zinc/29/90/94/557299094.db2.gz JLTGEHTYNHUIRG-FXVJXKIMSA-N 1 0 435.612 4.840 40 10 IJCBRO CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1 ZINC000223266653 557453138 /nfs/dbraw/zinc/45/31/38/557453138.db2.gz CBBKFXFOOGQUPY-JWQCQUIFSA-N 1 0 447.652 4.586 40 10 IJCBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1c(C)cccc1C ZINC000223272504 557454311 /nfs/dbraw/zinc/45/43/11/557454311.db2.gz RLSNXWDRKHGSRQ-ZCYQVOJMSA-N 1 0 447.652 4.640 40 10 IJCBRO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000013139045 557299167 /nfs/dbraw/zinc/29/91/67/557299167.db2.gz JLTGEHTYNHUIRG-DOEKTCAHSA-N 1 0 435.612 4.840 40 10 IJCBRO COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019645062 557504618 /nfs/dbraw/zinc/50/46/18/557504618.db2.gz BEMHHJHWIUMRTA-NKFKGCMQSA-N 1 0 446.595 4.619 40 10 IJCBRO CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCCS(=O)(=O)[O-])cc2)cc1 ZINC000005192901 569155580 /nfs/dbraw/zinc/15/55/80/569155580.db2.gz KUSDPSYLZNOZFB-UHFFFAOYSA-O 1 0 431.622 4.829 40 10 IJCBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccc1C ZINC000223272266 557454342 /nfs/dbraw/zinc/45/43/42/557454342.db2.gz GAQZVAXNHFURLQ-DQEYMECFSA-N 1 0 447.652 4.640 40 10 IJCBRO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408991028 556911433 /nfs/dbraw/zinc/91/14/33/556911433.db2.gz PKZSKLOUKYHOJS-OAQYLSRUSA-N 1 0 427.545 4.663 40 10 IJCBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000225776324 557776380 /nfs/dbraw/zinc/77/63/80/557776380.db2.gz CUDRKFPCDDJVDP-UHFFFAOYSA-N 1 0 442.938 4.597 40 10 IJCBRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000223272696 193960980 /nfs/dbraw/zinc/96/09/80/193960980.db2.gz FLUINJJTGLHMAN-LOSJGSFVSA-N 1 0 447.652 4.640 40 10 IJCBRO CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CC[NH+](Cc2ccccc2O)CC1 ZINC000072393943 556965040 /nfs/dbraw/zinc/96/50/40/556965040.db2.gz MDISGOUSUHDHFM-UHFFFAOYSA-N 1 0 438.499 4.574 40 10 IJCBRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1c(C)cccc1C ZINC000223272449 557454281 /nfs/dbraw/zinc/45/42/81/557454281.db2.gz RLSNXWDRKHGSRQ-UKILVPOCSA-N 1 0 447.652 4.640 40 10 IJCBRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)CC1 ZINC000225780719 557777234 /nfs/dbraw/zinc/77/72/34/557777234.db2.gz QLEWGLQTMNRZGJ-UHFFFAOYSA-N 1 0 449.982 4.601 40 10 IJCBRO CC(=C\c1sc2ccc(C)cc2[n+]1CCO)/C=C1\Sc2ccc(C)cc2N1CCO ZINC000016348213 556601833 /nfs/dbraw/zinc/60/18/33/556601833.db2.gz PBZUDVRCMSVCAR-UHFFFAOYSA-N 1 0 439.626 4.647 40 10 IJCBRO C[n+]1ccc(CCN(CCO)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000018206771 556686937 /nfs/dbraw/zinc/68/69/37/556686937.db2.gz BQLKHBGXNZVHOE-OCOZRVBESA-N 1 0 440.911 4.530 40 10 IJCBRO C[n+]1ccc(CCN(CCO)c2ccc(/N=N\c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000104205702 557322168 /nfs/dbraw/zinc/32/21/68/557322168.db2.gz BQLKHBGXNZVHOE-IZHYLOQSSA-N 1 0 440.911 4.530 40 10 IJCBRO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000002409551 556092033 /nfs/dbraw/zinc/09/20/33/556092033.db2.gz KODLOXSWABVBCR-MYKRZTLLSA-N 1 0 449.639 4.517 40 10 IJCBRO Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2)cc1 ZINC000218212790 557182429 /nfs/dbraw/zinc/18/24/29/557182429.db2.gz CJSIXHVRGDBKET-UHFFFAOYSA-N 1 0 445.632 4.969 40 10 IJCBRO CN(C)c1ccc(C[N@@H+]2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000096242531 557186587 /nfs/dbraw/zinc/18/65/87/557186587.db2.gz DAOJPHATRBOYJM-UHFFFAOYSA-N 1 0 429.564 4.535 40 10 IJCBRO CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+](C)C)cc21 ZINC000223214247 557446741 /nfs/dbraw/zinc/44/67/41/557446741.db2.gz GBZMQIQJMBMBJO-DNQXCXABSA-N 1 0 449.668 4.638 40 10 IJCBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000223223655 557447677 /nfs/dbraw/zinc/44/76/77/557447677.db2.gz HYGAWFCPCOLRJU-DQEYMECFSA-N 1 0 447.652 4.722 40 10 IJCBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccc(C)c1C ZINC000223271892 557454245 /nfs/dbraw/zinc/45/42/45/557454245.db2.gz SDCQDDRWSJCABN-RPBOFIJWSA-N 1 0 447.652 4.640 40 10 IJCBRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccc(C)c1C ZINC000223271947 557454254 /nfs/dbraw/zinc/45/42/54/557454254.db2.gz SDCQDDRWSJCABN-LOSJGSFVSA-N 1 0 447.652 4.640 40 10 IJCBRO C=C1[NH+]=C(SCc2ccc(OC)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408988626 556910912 /nfs/dbraw/zinc/91/09/12/556910912.db2.gz IPHAWMGQZUWTJM-QFIPXVFZSA-N 1 0 439.581 4.532 40 10 IJCBRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000223223840 557447956 /nfs/dbraw/zinc/44/79/56/557447956.db2.gz QHLPIGUCWJLVAQ-LOSJGSFVSA-N 1 0 447.652 4.722 40 10 IJCBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccc(C)cc1 ZINC000223224034 557448055 /nfs/dbraw/zinc/44/80/55/557448055.db2.gz FJFCEXFJAQCZRJ-RPBOFIJWSA-N 1 0 447.652 4.722 40 10 IJCBRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1c(C)cccc1C ZINC000223272345 557454271 /nfs/dbraw/zinc/45/42/71/557454271.db2.gz RLSNXWDRKHGSRQ-ILBGXUMGSA-N 1 0 447.652 4.640 40 10 IJCBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000223272745 557454584 /nfs/dbraw/zinc/45/45/84/557454584.db2.gz FLUINJJTGLHMAN-DQEYMECFSA-N 1 0 447.652 4.640 40 10 IJCBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000223272645 557454605 /nfs/dbraw/zinc/45/46/05/557454605.db2.gz FLUINJJTGLHMAN-RPBOFIJWSA-N 1 0 447.652 4.640 40 10 IJCBRO CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CC[NH+](Cc2ccccc2O)CC1 ZINC000072393945 556965017 /nfs/dbraw/zinc/96/50/17/556965017.db2.gz VYIZOGUGFJAZRC-UHFFFAOYSA-N 1 0 438.499 4.574 40 10 IJCBRO CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1 ZINC000223266804 557453127 /nfs/dbraw/zinc/45/31/27/557453127.db2.gz CBBKFXFOOGQUPY-DQEYMECFSA-N 1 0 447.652 4.586 40 10 IJCBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccc(C)c1C ZINC000223272001 557454207 /nfs/dbraw/zinc/45/42/07/557454207.db2.gz SDCQDDRWSJCABN-DQEYMECFSA-N 1 0 447.652 4.640 40 10 IJCBRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cc(F)c(N3CCCC3)cc2C)CC1 ZINC000019567056 556807292 /nfs/dbraw/zinc/80/72/92/556807292.db2.gz AYBRHMXSHWUNBW-UHFFFAOYSA-N 1 0 427.539 4.501 40 10 IJCBRO C=C1[NH+]=C(SCc2ccc(OC)cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408988624 556910866 /nfs/dbraw/zinc/91/08/66/556910866.db2.gz IPHAWMGQZUWTJM-JOCHJYFZSA-N 1 0 439.581 4.532 40 10 IJCBRO CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223266517 557453090 /nfs/dbraw/zinc/45/30/90/557453090.db2.gz LILRAWQQHHCLQU-LOSJGSFVSA-N 1 0 447.652 4.586 40 10 IJCBRO CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+](C)C)c2C)cc1 ZINC000223266704 557453114 /nfs/dbraw/zinc/45/31/14/557453114.db2.gz CBBKFXFOOGQUPY-RPBOFIJWSA-N 1 0 447.652 4.586 40 10 IJCBRO CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+](C)C)cc21 ZINC000260914283 568628494 /nfs/dbraw/zinc/62/84/94/568628494.db2.gz GBZMQIQJMBMBJO-ZEQRLZLVSA-N 1 0 449.668 4.638 40 10 IJCBRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccc(C)c1C ZINC000223271833 557454322 /nfs/dbraw/zinc/45/43/22/557454322.db2.gz SDCQDDRWSJCABN-JWQCQUIFSA-N 1 0 447.652 4.640 40 10 IJCBRO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000009193248 569294226 /nfs/dbraw/zinc/29/42/26/569294226.db2.gz KODLOXSWABVBCR-PKXQUSJVSA-N 1 0 449.639 4.517 40 10 IJCBRO CN(C)c1ccc2c(c1)[nH+]c1cc(N(C)C)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000005485905 556056076 /nfs/dbraw/zinc/05/60/76/556056076.db2.gz LDGZWVSGCSMOKS-UHFFFAOYSA-N 1 0 449.580 4.635 40 10 IJCBRO CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+](C)C)cc21 ZINC000260914277 568628506 /nfs/dbraw/zinc/62/85/06/568628506.db2.gz GBZMQIQJMBMBJO-RPWUZVMVSA-N 1 0 449.668 4.638 40 10 IJCBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000223223536 193953991 /nfs/dbraw/zinc/95/39/91/193953991.db2.gz HYGAWFCPCOLRJU-RPBOFIJWSA-N 1 0 447.652 4.722 40 10 IJCBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccc(C)cc1 ZINC000223224147 557447965 /nfs/dbraw/zinc/44/79/65/557447965.db2.gz FJFCEXFJAQCZRJ-DQEYMECFSA-N 1 0 447.652 4.722 40 10 IJCBRO CC(NC1CC(C)(C)[NH2+]C(C)(C)C1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017099041 557482012 /nfs/dbraw/zinc/48/20/12/557482012.db2.gz NPFJROMBHLJFQT-XLNRJJMWSA-N 1 0 434.559 4.749 40 10 IJCBRO O=C(NCc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044910657 556680685 /nfs/dbraw/zinc/68/06/85/556680685.db2.gz GFAVZZWKRSZCSK-UHFFFAOYSA-N 1 0 426.004 4.859 40 10 IJCBRO CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223266399 557453200 /nfs/dbraw/zinc/45/32/00/557453200.db2.gz LILRAWQQHHCLQU-JWQCQUIFSA-N 1 0 447.652 4.586 40 10 IJCBRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccc1C ZINC000223272201 557454350 /nfs/dbraw/zinc/45/43/50/557454350.db2.gz GAQZVAXNHFURLQ-LOSJGSFVSA-N 1 0 447.652 4.640 40 10 IJCBRO O=c1c(/C=C/c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2O)C1 ZINC000004237345 291393604 /nfs/dbraw/zinc/39/36/04/291393604.db2.gz OCRLTGKMKFAJJW-UDMIBOSNSA-N 1 0 432.951 4.997 40 10 biogenic,in-vitro IJCBRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000223223897 193954090 /nfs/dbraw/zinc/95/40/90/193954090.db2.gz QHLPIGUCWJLVAQ-DQEYMECFSA-N 1 0 447.652 4.722 40 10 IJCBRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1c(C)cccc1C ZINC000223272400 557454289 /nfs/dbraw/zinc/45/42/89/557454289.db2.gz RLSNXWDRKHGSRQ-NOZRDPDXSA-N 1 0 447.652 4.640 40 10 IJCBRO CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+](C)C)cc21 ZINC000260914225 568628556 /nfs/dbraw/zinc/62/85/56/568628556.db2.gz GBZMQIQJMBMBJO-BJKOFHAPSA-N 1 0 449.668 4.638 40 10 IJCBRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000223223597 193953941 /nfs/dbraw/zinc/95/39/41/193953941.db2.gz HYGAWFCPCOLRJU-LOSJGSFVSA-N 1 0 447.652 4.722 40 10 IJCBRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3SCc3ccccc3)cc2)CC1 ZINC000218610396 557210101 /nfs/dbraw/zinc/21/01/01/557210101.db2.gz AMJXGPCARVNQQO-UHFFFAOYSA-N 1 0 431.605 4.661 40 10 IJCBRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000223223479 557447690 /nfs/dbraw/zinc/44/76/90/557447690.db2.gz HYGAWFCPCOLRJU-JWQCQUIFSA-N 1 0 447.652 4.722 40 10 IJCBRO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000002199309 556056858 /nfs/dbraw/zinc/05/68/58/556056858.db2.gz JLTGEHTYNHUIRG-URORMMCBSA-N 1 0 435.612 4.840 40 10 IJCBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044910576 556680618 /nfs/dbraw/zinc/68/06/18/556680618.db2.gz RODNXZYCSUILNA-QFIPXVFZSA-N 1 0 426.004 4.859 40 10 IJCBRO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000005157034 557074640 /nfs/dbraw/zinc/07/46/40/557074640.db2.gz JLTGEHTYNHUIRG-STXQHDJLSA-N 1 0 435.612 4.840 40 10 IJCBRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 ZINC000218004319 557175354 /nfs/dbraw/zinc/17/53/54/557175354.db2.gz TWQOZZDIWWDTQJ-UHFFFAOYSA-N 1 0 431.605 4.661 40 10 IJCBRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013674123 556553525 /nfs/dbraw/zinc/55/35/25/556553525.db2.gz ZPSKQSYYBAFNMX-UHFFFAOYSA-N 1 0 425.576 4.775 40 10 IJCBRO O=C(NCc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044910660 556680772 /nfs/dbraw/zinc/68/07/72/556680772.db2.gz QNEMIROWUQXNOK-UHFFFAOYSA-N 1 0 426.004 4.859 40 10 IJCBRO CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000585166191 557128832 /nfs/dbraw/zinc/12/88/32/557128832.db2.gz SVWXLBDVEISWTR-UHFFFAOYSA-N 1 0 443.591 4.724 40 10 IJCBRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccc(C)cc1 ZINC000223224100 557447993 /nfs/dbraw/zinc/44/79/93/557447993.db2.gz FJFCEXFJAQCZRJ-LOSJGSFVSA-N 1 0 447.652 4.722 40 10 IJCBRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000223272590 557454262 /nfs/dbraw/zinc/45/42/62/557454262.db2.gz FLUINJJTGLHMAN-JWQCQUIFSA-N 1 0 447.652 4.640 40 10 IJCBRO