smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(C[NH+]2C[C@H]3C[NH+](CC(c4ccccc4)c4ccccc4)C[C@@H]3C2)cc1	ZINC000096245623	211324826	/nfs/dbraw/zinc/32/48/26/211324826.db2.gz	JIYGBLYRRARIFK-UIOOFZCWSA-N	2	0	382.551	4.882	40	0		GJABRP
C[n+]1ccc2ccccc2c1Cc1ccc(Cc2c3ccccc3cc[n+]2C)cc1	ZINC000001705901	570267175	/nfs/dbraw/zinc/26/71/75/570267175.db2.gz	LWRCHJOZSOOPLQ-UHFFFAOYSA-N	2	0	390.530	4.824	40	0		GJABRP
Cc1cccc(C)c1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1	ZINC000242806959	570456624	/nfs/dbraw/zinc/45/66/24/570456624.db2.gz	FHEUYOPZWYJGCI-UHFFFAOYSA-N	2	0	375.520	4.868	40	0		GJABRP
COc1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)cc1	ZINC000096047379	571097183	/nfs/dbraw/zinc/09/71/83/571097183.db2.gz	UTZHUUUJOXHSLP-UHFFFAOYSA-N	2	0	378.560	4.882	40	0		GJABRP
Cc1nc2c(n1C(C)C)C[N@@H+](C1CCC1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306123428	212044078	/nfs/dbraw/zinc/04/40/78/212044078.db2.gz	AMXAZFTUDYGVJD-UHFFFAOYSA-N	2	0	392.591	4.674	40	0		GJABRP
C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O2	ZINC000072394178	205344154	/nfs/dbraw/zinc/34/41/54/205344154.db2.gz	ODURIFQANZQLJD-UHFFFAOYSA-N	2	0	390.449	4.564	40	0		GJABRP
C[NH+](C)CCC[N@H+](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000066331689	211001446	/nfs/dbraw/zinc/00/14/46/211001446.db2.gz	FMTFZYKYVZBISL-BRXSOUEKSA-N	2	0	388.640	4.562	40	0		GJABRP
Cc1nn(C(C)C)c(C)c1C[N@H+](CCCn1ccnc1)Cc1cccc(F)c1	ZINC000043277731	570626351	/nfs/dbraw/zinc/62/63/51/570626351.db2.gz	SQXWPVHHXXOTAP-UHFFFAOYSA-N	2	0	383.515	4.509	40	0		GJABRP
CC[NH+](CC)Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1	ZINC000039763696	570446028	/nfs/dbraw/zinc/44/60/28/570446028.db2.gz	BRLIYFAWGHJRPZ-UHFFFAOYSA-N	2	0	393.575	4.688	40	0		GJABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccccc1OC(C)C)Cc1ccccc1O2	ZINC000019450966	570985446	/nfs/dbraw/zinc/98/54/46/570985446.db2.gz	LYRHYEGDRPUBNQ-UHFFFAOYSA-N	2	0	394.559	4.769	40	0		GJABRP
Cc1nc2c(n1C(C)C)C[N@H+](CC1CC1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306136214	206202872	/nfs/dbraw/zinc/20/28/72/206202872.db2.gz	PNAKXLPHIRZKCD-UHFFFAOYSA-N	2	0	392.591	4.532	40	0		GJABRP
COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)CC2)c1	ZINC000096047246	211296626	/nfs/dbraw/zinc/29/66/26/211296626.db2.gz	LEHMHNIBRLCAIP-UHFFFAOYSA-N	2	0	382.523	4.713	40	0		GJABRP
C[NH+](C)C1CCC2(CC1)C[N@H+](Cc1c[nH]c3ccccc13)Cc1ccccc1O2	ZINC000019583947	571014822	/nfs/dbraw/zinc/01/48/22/571014822.db2.gz	KHVSUKCWYBHTJH-UHFFFAOYSA-N	2	0	389.543	4.806	40	0		GJABRP
CC(C)[NH+]1CCC(C[N@H+](C)Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1	ZINC000019447808	210248753	/nfs/dbraw/zinc/24/87/53/210248753.db2.gz	RUGOLXLZKRNOMP-UHFFFAOYSA-N	2	0	394.538	4.921	40	0		GJABRP
CC[NH+](CC)Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1	ZINC000039758174	570449494	/nfs/dbraw/zinc/44/94/94/570449494.db2.gz	DQFPYWSLTSIBSZ-UHFFFAOYSA-N	2	0	393.575	4.688	40	0		GJABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cccc(OC(C)C)c1)Cc1ccccc1O2	ZINC000019450913	210247830	/nfs/dbraw/zinc/24/78/30/210247830.db2.gz	IYOIZLNTBIMGHB-UHFFFAOYSA-N	2	0	394.559	4.769	40	0		GJABRP
C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3oc4ccccc4c3C)n(C)n2)CC1	ZINC000100687690	211388646	/nfs/dbraw/zinc/38/86/46/211388646.db2.gz	SLOBJSCCJCYGIH-KDURUIRLSA-N	2	0	394.563	4.600	40	0		GJABRP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)CC[C@H](C)c3ccccc3)n(C)n2)CC1	ZINC000100687705	570274973	/nfs/dbraw/zinc/27/49/73/570274973.db2.gz	NZDNDERJOJHPRF-JAXLGGSGSA-N	2	0	382.596	4.539	40	0		GJABRP
Cc1ncc(C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)s1	ZINC000257316664	209075365	/nfs/dbraw/zinc/07/53/65/209075365.db2.gz	VGNAEAUIQVNMES-UHFFFAOYSA-N	2	0	379.533	4.673	40	0		GJABRP
COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013511984	570849515	/nfs/dbraw/zinc/84/95/15/570849515.db2.gz	BWDBVIZIEPZRRP-WATLYSKOSA-N	2	0	380.576	4.764	40	0		GJABRP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1	ZINC000257277729	570900695	/nfs/dbraw/zinc/90/06/95/570900695.db2.gz	NZDNDERJOJHPRF-KCZVDYSFSA-N	2	0	382.596	4.539	40	0		GJABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccc3ncccc3c1)Cc1ccccc1O2	ZINC000019592014	571019232	/nfs/dbraw/zinc/01/92/32/571019232.db2.gz	WUZREMJOKVIJKB-UHFFFAOYSA-N	2	0	387.527	4.530	40	0		GJABRP
c1ccc(C[NH+]2C[C@@H]3C[NH+](CC(c4ccccc4)c4ccccc4)C[C@H]3C2)cc1	ZINC000096245624	570224185	/nfs/dbraw/zinc/22/41/85/570224185.db2.gz	JIYGBLYRRARIFK-CLJLJLNGSA-N	2	0	382.551	4.882	40	0		GJABRP
C[NH+](C)Cc1ccc(OCCCCCCOc2ccc(C[NH+](C)C)cc2)cc1	ZINC000248149923	570443936	/nfs/dbraw/zinc/44/39/36/570443936.db2.gz	XBKXUDARFVPOLJ-UHFFFAOYSA-N	2	0	384.564	4.828	40	0		GJABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccc(OC(C)C)cc1)Cc1ccccc1O2	ZINC000019450690	570985098	/nfs/dbraw/zinc/98/50/98/570985098.db2.gz	WMLZXRSOEFPTOS-UHFFFAOYSA-N	2	0	394.559	4.769	40	0		GJABRP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)CC[C@H](C)c3ccccc3)n(C)n2)CC1	ZINC000257277730	570900534	/nfs/dbraw/zinc/90/05/34/570900534.db2.gz	NZDNDERJOJHPRF-ONTIZHBOSA-N	2	0	382.596	4.539	40	0		GJABRP
COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013511980	221270355	/nfs/dbraw/zinc/27/03/55/221270355.db2.gz	BWDBVIZIEPZRRP-BKSPAHHJSA-N	2	0	380.576	4.764	40	0		GJABRP
COc1ccc(C[NH+]2CCC3(CC[NH+](Cc4ccc(C)cc4)CC3)CC2)cc1	ZINC000096047262	208254872	/nfs/dbraw/zinc/25/48/72/208254872.db2.gz	YAOHEKFLMJPMJH-UHFFFAOYSA-N	2	0	378.560	4.882	40	0		GJABRP
COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccc(C)s4)CC3)CC2)c1	ZINC000096047245	208256416	/nfs/dbraw/zinc/25/64/16/208256416.db2.gz	VKODVGGKFFHEQD-UHFFFAOYSA-N	2	0	384.589	4.943	40	0		GJABRP
Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cc2c(cc1Cl)OCO2	ZINC000043277690	570626219	/nfs/dbraw/zinc/62/62/19/570626219.db2.gz	RBDQFLKQKADKAY-UHFFFAOYSA-N	2	0	397.906	4.666	40	0		GJABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cccc3ncccc13)Cc1ccccc1O2	ZINC000019591990	207141471	/nfs/dbraw/zinc/14/14/71/207141471.db2.gz	OTNKSFOLJJPTEF-UHFFFAOYSA-N	2	0	387.527	4.530	40	0		GJABRP
COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004006313	570965504	/nfs/dbraw/zinc/96/55/04/570965504.db2.gz	BWDBVIZIEPZRRP-CZSZKKDXSA-N	2	0	380.576	4.764	40	0		GJABRP
COc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccc(F)c2)CC3)cc1	ZINC000096047235	222374453	/nfs/dbraw/zinc/37/44/53/222374453.db2.gz	HILURGVOOHVLAV-UHFFFAOYSA-N	2	0	382.523	4.713	40	0		GJABRP
c1ccc(C[NH+]2C[C@H]3C[N@H+](CC(c4ccccc4)c4ccccc4)C[C@H]3C2)cc1	ZINC000096245622	570224055	/nfs/dbraw/zinc/22/40/55/570224055.db2.gz	JIYGBLYRRARIFK-WMPKNSHKSA-N	2	0	382.551	4.882	40	0		GJABRP
CCOC(=O)c1c(C)c(C[NH2+]C2CCCCC2)n(C[NH2+]C2CCCCC2)c1C	ZINC000004706077	570396012	/nfs/dbraw/zinc/39/60/12/570396012.db2.gz	YAQOGWCXGNSOMI-UHFFFAOYSA-N	2	0	389.584	4.584	40	0		GJABRP
CC(C)(C)c1cc(C([n+]2ccccc2)[n+]2ccccc2)cc(C(C)(C)C)c1O	ZINC000005293134	570252500	/nfs/dbraw/zinc/25/25/00/570252500.db2.gz	WBRFKYWYXJEHBD-UHFFFAOYSA-O	2	0	376.544	4.657	40	0		GJABRP
COc1ccc(C[NH2+]CC[C@@H]2[C@@H](C)C[N@H+](C)[C@H](C)[C@@H]2Cc2ccccc2)cc1	ZINC000004696768	220749937	/nfs/dbraw/zinc/74/99/37/220749937.db2.gz	YGTJKNIFCYOPGW-QDPPLXMDSA-N	2	0	380.576	4.620	40	0		GJABRP
Nc1ccc2[nH]c(CCCCCCCCc3[nH]c4ccc(N)cc4[nH+]3)[nH+]c2c1	ZINC000006445401	570480363	/nfs/dbraw/zinc/48/03/63/570480363.db2.gz	GTGKXQBMUAAJPI-UHFFFAOYSA-N	2	0	376.508	4.729	40	0		GJABRP
CC[NH+](CC)CCOC(=O)c1ccc(Nc2cc(C)c3ccccc3n2)cc1	ZINC000041127693	212118852	/nfs/dbraw/zinc/11/88/52/212118852.db2.gz	DSCBSHZJEMJRJF-UHFFFAOYSA-N	2	0	377.488	4.785	40	0		GJABRP
COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004006312	570965548	/nfs/dbraw/zinc/96/55/48/570965548.db2.gz	BWDBVIZIEPZRRP-OTPAQWSUSA-N	2	0	380.576	4.764	40	0		GJABRP
C[NH+](C)CCC[N@H+](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000004214899	570362981	/nfs/dbraw/zinc/36/29/81/570362981.db2.gz	FMTFZYKYVZBISL-HUVRVWIJSA-N	2	0	388.640	4.562	40	0	in-man	GJABRP
CC[NH+](CC)Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1	ZINC000039742181	570446939	/nfs/dbraw/zinc/44/69/39/570446939.db2.gz	WHSWRNWNULYXPA-UHFFFAOYSA-N	2	0	393.575	4.688	40	0		GJABRP